Viewing 1J3KA.reduce3-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 10.45 | 84th percentile* (N=576, 1.85Å - 2.35Å) |
| Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
| Protein Geometry |
Rotamer outliers | 3.33% | Goal: <1% |
| Ramachandran outliers | 0.46% | Goal: <0.2% | |
| Ramachandran favored | 96.77% | Goal: >98% | |
| Cβ deviations >0.25Å | 0 | Goal: 0 | |
| MolProbity score | 2.14 | 71st percentile* (N=11758, 1.85Å - 2.35Å) | |
| Residues with bad bonds: | 0.00% | Goal: <5% | |
| Residues with bad angles: | 4.07% | Goal: <5% | |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 1 | MET | 95.37 | 0.978Å CG with A 2 MET H | - | 12.3% (ptp) chi angles: 60.2,176.5,93.6 | 0.053Å | - | - |
| A 2 | MET | 95.37 | 0.978Å H with A 1 MET CG | Favored (33.87%) General case / -120.3,156.5 | 80.9% (mtp) chi angles: 292.1,182.6,85.8 | 0.027Å | - | - |
| A 3 | GLU | 90.05 | - | Favored (3.95%) General case / -48.7,146.3 | 1.2% (mt-10) chi angles: 275,136.7,139.5 | 0.095Å | - | 1 OUTLIER(S) worst is N-CA-C: 5.014 σ |
| A 4 | GLN | 83.22 | - | Favored (43.4%) General case / -102.2,136.6 | 0.2% chi angles: 246.4,178.4,126.5 | 0.072Å | - | - |
| A 5 | VAL | 69.08 | - | Favored (49.3%) General case / -49.9,-46.9 | 55.5% (t) chi angles: 182 | 0.07Å | - | - |
| A 6 | CYS | 62.55 | - | Favored (67.2%) General case / -60.4,-25.3 | 32% (p) chi angles: 64.6 | 0.065Å | - | - |
| A 7 | ASP | 65.41 | - | Favored (23.54%) General case / -83.2,-39.9 | 57.1% (m-20) chi angles: 290.8,124.5 | 0.05Å | - | - |
| A 8 | VAL | 54 | 0.553Å HA with A 76 LYS HD3 | Favored (74.16%) General case / -66.9,-48.1 | 86.2% (t) chi angles: 175 | 0.047Å | - | - |
| A 9 | PHE | 52.78 | - | Favored (50.43%) General case / -93.1,1.6 | 37.4% (m-85) chi angles: 298.7,124.9 | 0.084Å | - | - |
| A 10 | ASP | 48.96 | - | Allowed (0.95%) General case / 47.2,69.2 | 14.2% (m-20) chi angles: 301,94.8 | 0.035Å | - | - |
| A 11 | ILE | 37.81 | - | Favored (48.38%) General case / -101.0,120.6 | 65.4% (mt) chi angles: 302.8,177.4 | 0.078Å | - | - |
| A 12 | TYR | 44.02 | 0.509Å HD1 with A 181 LYS HB2 | Favored (32.6%) General case / -124.5,161.1 | 59.9% (m-85) chi angles: 307.4,98.3 | 0.106Å | - | - |
| A 13 | ALA | 33.21 | 0.464Å HB2 with A 179 ILE HD12 | Favored (39.41%) General case / -115.9,146.2 | - | 0.123Å | - | - |
| A 14 | ILE | 31.47 | - | Favored (32.86%) General case / -139.2,133.3 | 10.1% (tt) chi angles: 176.8,160 | 0.02Å | - | - |
| A 15 | CYS | 34.39 | - | Favored (14.73%) General case / -154.9,173.6 | 30% (p) chi angles: 63 | 0.137Å | - | - |
| A 16 | ALA | 32.24 | 0.465Å HA with A 185 THR HB | Favored (36.96%) General case / -134.9,127.8 | - | 0.086Å | - | - |
| A 17 | CYS | 37.11 | - | Favored (58.87%) General case / -129.0,136.2 | 70.9% (m) chi angles: 297.4 | 0.05Å | - | - |
| A 18 | CYS | 35.65 | - | Favored (2.85%) General case / -104.2,-176.9 | 27.4% (p) chi angles: 60 | 0.065Å | - | - |
| A 19 | LYS | 41.41 | - | Favored (25.21%) General case / -88.7,146.5 | 53.7% (mtmt) chi angles: 295,186.7,297.8,193 | 0.053Å | - | - |
| A 20 | VAL | 59.54 | 0.532Å HG21 with A 38 ARG NH2 | Favored (42.26%) General case / -97.6,135.7 | 31.7% (m) chi angles: 300.7 | 0.077Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 21 | GLU | 82.96 | 0.692Å CD with A 23 LYS HE2 | Allowed (1.75%) General case / -72.5,87.4 | 60.9% (tt0) chi angles: 181.8,179.8,32.8 | 0.043Å | - | - |
| A 22 | SER | 90.03 | - | Favored (21.22%) General case / -99.3,151.6 | 86% (p) chi angles: 61.2 | 0.158Å | - | 1 OUTLIER(S) worst is N-CA-C: -8.827 σ |
| A 23 | LYS | 95.37 | 0.692Å HE2 with A 21 GLU CD | Favored (4.65%) General case / -126.3,-15.5 | 36.6% (mttt) chi angles: 323.9,173,186.6,199.9 | 0.096Å | - | 1 OUTLIER(S) worst is N-CA-C: 4.946 σ |
| A 24 | ASN | 95.37 | - | Favored (2.01%) General case / -138.7,38.5 | 0% chi angles: 350.2,265.7 | 0.033Å | - | 1 OUTLIER(S) worst is N-CA-C: 5.279 σ |
| A 25 | GLU | 95.37 | - | Favored (8.78%) General case / -100.4,-39.9 | 7.9% (mt-10) chi angles: 320.9,206.4,142.6 | 0.196Å | - | 1 OUTLIER(S) worst is N-CA-C: 5.115 σ |
| A 26 | GLY | 95.37 | - | OUTLIER (0.02%) Glycine / 171.0,53.8 | - | - | - | - |
| A 27 | LYS | 95.09 | - | Favored (9.38%) General case / -67.8,-2.9 | 0% chi angles: 260.8,107.6,219.2,289.8 | 0.161Å | - | 1 OUTLIER(S) worst is N-CA-C: 5.494 σ |
| A 28 | LYS | 95.37 | 0.481Å HA with A 28 LYS HD2 | Favored (38.79%) General case / -85.7,-15.8 | 4.1% (tptm) chi angles: 197.4,54,198.5,262.7 | 0.04Å | - | - |
| A 29 | ASN | 86 | - | Favored (2.08%) General case / -130.2,47.5 | 72.2% (m-20) chi angles: 279.3,328.9 | 0.057Å | - | - |
| A 30 | GLU | 70.94 | - | Favored (28.81%) General case / -78.2,157.6 | 10.1% (pt-20) chi angles: 73.4,168,116 | 0.045Å | - | - |
| A 31 | VAL | 55.74 | - | Favored (34.1%) General case / -99.6,141.0 | 93.3% (t) chi angles: 175.6 | 0.063Å | - | - |
| A 32 | PHE | 44.05 | - | Favored (35.93%) General case / -120.2,154.5 | 92.1% (m-85) chi angles: 299.8,101.7 | 0.055Å | - | - |
| A 33 | ASN | 48.12 | - | Favored (8.33%) General case / -163.4,176.7 | 20% (p30) chi angles: 50.4,40.2 | 0.044Å | - | - |
| A 34 | ASN | 53.11 | - | Favored (60.04%) General case / -54.5,-33.2 | 86.6% (m-20) chi angles: 297.8,323.3 | 0.056Å | - | - |
| A 35 | TYR | 58.47 | - | Favored (41.05%) General case / -64.4,-12.1 | 15.8% (t80) chi angles: 195.8,56.6 | 0.044Å | - | - |
| A 36 | THR | 36.89 | - | Favored (72.99%) General case / -58.4,-35.1 | 6% (m) chi angles: 285.3 | 0.078Å | - | - |
| A 37 | PHE | 34.51 | - | Favored (18.91%) General case / -97.0,103.9 | 98.9% (m-85) chi angles: 296.9,98.4 | 0.096Å | - | - |
| A 38 | ARG | 43.87 | 0.532Å NH2 with A 20 VAL HG21 | Allowed (0.5%) General case / -150.7,-2.3 | 32% (ptt-85) chi angles: 69.1,178.3,176.7,279.8 | 0.04Å | - | - |
| A 39 | GLY | 37.22 | - | Favored (11.09%) Glycine / -73.7,122.5 | - | - | - | - |
| A 40 | LEU | 37.19 | 0.537Å O with 610 NDP NH2 | Favored (4.71%) General case / -109.2,-41.6 | 24.9% (mt) chi angles: 279.2,176.5 | 0.081Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 41 | GLY | 39.56 | - | Favored (31.27%) Glycine / -156.2,174.7 | - | - | - | - |
| A 42 | ASN | 44.42 | - | Favored (6.08%) General case / -155.0,125.0 | 47% (t30) chi angles: 197.5,51.3 | 0.088Å | - | - |
| A 43 | LYS | 54.94 | - | Favored (22.76%) General case / 52.5,41.2 | 48.6% (mttp) chi angles: 300.4,171.2,172.1,51.6 | 0.016Å | - | - |
| A 44 | GLY | 44.63 | - | Favored (56.13%) Glycine / 81.0,-10.0 | - | - | - | - |
| A 45 | VAL | 42.6 | - | Favored (2.99%) General case / -126.2,-175.5 | 19.4% (m) chi angles: 292.4 | 0.054Å | - | - |
| A 46 | LEU | 39.19 | - | Favored (96.25%) Pre-proline / -71.2,147.5 | 97.2% (mt) chi angles: 296.3,176.8 | 0.024Å | - | - |
| A 47 | PRO | 38.84 | - | Favored (82.68%) Proline / -62.7,-31.5 | 33.5% (Cg_exo) chi angles: 338.4 | 0.044Å | - | - |
| A 48 | TRP | 41.05 | - | Favored (21.88%) General case / -101.3,152.2 | 27.4% (p90) chi angles: 48.6,84.7 | 0.024Å | - | - |
| A 49 | LYS | 65.89 | - | Allowed (1.63%) General case / -55.6,-64.8 | 0% chi angles: 224.8,146.7,75.1,9.3 | 0.02Å | - | - |
| A 50 | CYS | 54.73 | - | Allowed (1.17%) General case / -169.1,128.1 | 0.6% chi angles: 155.5 | 0.072Å | - | - |
| A 51 | ILE | 37.44 | - | Favored (2.66%) General case / -130.2,90.1 | 97.3% (mt) chi angles: 297,173 | 0.075Å | - | - |
| A 52 | SER | 38.85 | - | Favored (67.83%) General case / -55.5,-35.8 | 92.1% (p) chi angles: 66 | 0.096Å | - | - |
| A 53 | LEU | 31.32 | - | Favored (87.02%) General case / -64.4,-36.5 | 22.4% (tp) chi angles: 189.6,71.4 | 0.031Å | - | - |
| A 54 | ASP | 32.35 | - | Favored (79.94%) General case / -68.9,-36.4 | 14.3% (t70) chi angles: 169,69.5 | 0.038Å | - | - |
| A 55 | MET | 49.32 | - | Favored (99.74%) General case / -62.9,-42.1 | 17.6% (mmt) chi angles: 283.4,294.3,164.4 | 0.1Å | - | - |
| A 56 | LYS | 43.62 | - | Favored (92.94%) General case / -63.3,-45.5 | 83% (tttt) chi angles: 177.6,176.9,181.9,168.8 | 0.047Å | - | - |
| A 57 | TYR | 31.19 | - | Favored (90.75%) General case / -62.9,-46.3 | 94% (t80) chi angles: 177.5,78.5 | 0.102Å | - | - |
| A 58 | PHE | 32.14 | 0.458Å HE1 with A 164 LEU HD22 | Favored (73.28%) General case / -55.1,-48.4 | 34.1% (t80) chi angles: 163.6,81.6 | 0.039Å | - | - |
| A 59 | ARG | 59 | 0.474Å O with A 63 THR HG23 | Favored (92.5%) General case / -64.4,-44.7 | 27.2% (ttt-85) chi angles: 178.4,176.5,205.8,294.8 | 0.022Å | - | - |
| A 60 | ALA | 35.05 | - | Favored (88.96%) General case / -59.8,-46.5 | - | 0.033Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 61 | VAL | 30.95 | - | Favored (69.67%) General case / -67.0,-49.6 | 69.8% (t) chi angles: 173.6 | 0.065Å | - | - |
| A 62 | THR | 34.84 | - | Favored (63.85%) General case / -70.9,-14.6 | 73.3% (p) chi angles: 61.8 | 0.117Å | - | - |
| A 63 | THR | 41.62 | 0.474Å HG23 with A 59 ARG O | Favored (14.09%) General case / -104.7,-18.2 | 30.1% (p) chi angles: 70.3 | 0.07Å | - | - |
| A 64 | TYR | 43.67 | - | Favored (46.18%) General case / -63.7,132.4 | 89.5% (t80) chi angles: 180.2,79 | 0.054Å | - | - |
| A 65 | VAL | 42.36 | - | Favored (46.61%) General case / -140.3,155.2 | 20.7% (m) chi angles: 303.4 | 0.064Å | - | - |
| A 66 | ASN | 51.05 | - | Favored (5.83%) General case / -126.4,98.4 | 31% (t-20) chi angles: 180.3,312.2 | 0.086Å | - | - |
| A 67 | GLU | 65.56 | - | Favored (69.22%) General case / -54.1,-40.6 | 51% (mt-10) chi angles: 295.8,189.4,122 | 0.103Å | - | - |
| A 68 | SER | 62.5 | - | Favored (70.01%) General case / -62.0,-27.2 | 79.2% (p) chi angles: 70 | 0.012Å | - | - |
| A 69 | LYS | 70.31 | - | Favored (47.43%) General case / -84.8,-12.8 | 46% (mttt) chi angles: 283.4,171.5,148.3,164.6 | 0.04Å | - | - |
| A 70 | TYR | 66.89 | - | Favored (84.23%) General case / -67.9,-42.7 | 47.2% (t80) chi angles: 181.4,59.5 | 0.064Å | - | - |
| A 71 | GLU | 83.15 | - | Favored (4.44%) General case / -50.3,-24.0 | 28.8% (mt-10) chi angles: 284.7,202.7,23.4 | 0.113Å | - | - |
| A 72 | LYS | 77.74 | - | Favored (17.38%) General case / -86.5,-40.1 | 4.8% (ttpt) chi angles: 175.1,202.8,69.6,226.2 | 0.046Å | - | - |
| A 73 | LEU | 67.78 | - | Favored (78.14%) General case / -62.1,-34.2 | 93.7% (mt) chi angles: 297.9,173.9 | 0.071Å | - | - |
| A 74 | LYS | 75.43 | - | Favored (80.27%) General case / -63.1,-48.8 | 57.9% (tttp) chi angles: 189.3,174.7,183.9,54.6 | 0.045Å | - | - |
| A 75 | TYR | 81.78 | - | Favored (73.85%) General case / -55.4,-48.7 | 48.9% (t80) chi angles: 178,60.2 | 0.04Å | - | - |
| A 76 | LYS | 66.71 | 0.553Å HD3 with A 8 VAL HA | Favored (85.79%) General case / -58.3,-42.3 | 14.9% (ttmt) chi angles: 174.6,219,306.7,181.9 | 0.048Å | - | - |
| A 77 | ARG | 59.89 | - | Favored (73.03%) General case / -71.0,-42.7 | 70.5% (mtt180) chi angles: 285.3,157.9,195,179.9 | 0.055Å | - | - |
| A 78 | CYS | 65.24 | - | Favored (22.23%) General case / -60.9,-57.3 | 56.7% (m) chi angles: 285 | 0.039Å | - | - |
| A 79 | LYS | 71.55 | - | Favored (19.66%) General case / -47.6,-51.4 | 20.4% (tttm) chi angles: 180.6,193.2,187.3,330.9 | 0.058Å | - | - |
| A 80 | TYR | 63.37 | - | Favored (67.69%) General case / -57.0,-32.8 | 82.7% (t80) chi angles: 173.1,79.3 | 0.033Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 81 | LEU | 72.16 | - | Favored (49.68%) General case / -94.3,0.3 | 43% (mt) chi angles: 298.6,164.3 | 0.027Å | - | - |
| A 82 | ASN | 80.47 | - | Favored (7.45%) General case / 58.2,21.7 | 52.3% (m-20) chi angles: 278.8,309.5 | 0.055Å | - | - |
| A 83 | LYS | 86.75 | - | Favored (15.5%) General case / -93.3,160.4 | 75.1% (mmtt) chi angles: 295.6,299.5,181.5,175.7 | 0.121Å | - | 1 OUTLIER(S) worst is N-CA-C: -4.838 σ |
| A 84 | GLU | 95.37 | - | Favored (4.48%) General case / -86.7,-174.8 | 75% (mt-10) chi angles: 282.2,179.6,16.5 | 0.075Å | - | - |
| A 85 | THR | 95.37 | - | - | 3.1% (m) chi angles: 319.7 | 0.069Å | - | - |
| A 96 | LYS | 81.76 | 0.635Å HG3 with A 97 LYS N | - | 62.4% (pttt) chi angles: 62.8,179.3,177.2,186.8 | 0.018Å | - | - |
| A 97 | LYS | 73.06 | 0.635Å N with A 96 LYS HG3 | Favored (39.53%) General case / -68.6,130.3 | 22.2% (ttmt) chi angles: 206.4,202.9,285.1,185 | 0.06Å | - | - |
| A 98 | LEU | 51.7 | - | Favored (33.01%) General case / -54.7,137.1 | 35.5% (tp) chi angles: 186.6,67.2 | 0.032Å | - | - |
| A 99 | GLN | 40.95 | 0.441Å HG3 with A 97 LYS O | Favored (33.78%) General case / -141.8,163.4 | 82.8% (mt-30) chi angles: 303.6,184.3,324.5 | 0.086Å | - | - |
| A 100 | ASN | 34.24 | 0.402Å OD1 with A 159 TYR HB3 | Favored (16.84%) General case / -89.5,162.4 | 84.3% (m-20) chi angles: 296.3,311.6 | 0.149Å | - | - |
| A 101 | VAL | 33.05 | - | Favored (47.2%) General case / -108.0,138.3 | 40.1% (t) chi angles: 166.4 | 0.14Å | - | - |
| A 102 | VAL | 31.48 | 0.424Å HB with A 164 LEU HD11 | Favored (62.43%) General case / -125.6,131.5 | 24.3% (m) chi angles: 293.4 | 0.06Å | - | - |
| A 103 | VAL | 31.96 | - | Favored (61.84%) General case / -112.0,131.0 | 24.2% (t) chi angles: 187 | 0.043Å | - | - |
| A 104 | MET | 42.06 | - | Favored (44.25%) General case / -140.8,148.5 | 0.1% chi angles: 58.1,213.8,127.1 | 0.138Å | - | - |
| A 105 | GLY | 36.04 | - | Favored (52.46%) Glycine / -72.2,161.0 | - | - | - | - |
| A 106 | ARG | 53.07 | 0.516Å HE with 610 NDP P2B | Favored (89.31%) General case / -59.1,-42.2 | 47.4% (ttp85) chi angles: 174.2,197,53,85.8 | 0.085Å | - | - |
| A 107 | THR | 38.47 | - | Favored (98.53%) General case / -63.7,-40.8 | 21.5% (m) chi angles: 310 | 0.043Å | - | - |
| A 108 | ASN | 37.1 | 0.504Å HD21 with 609 WRA H91 | Favored (71.92%) General case / -60.8,-51.7 | 46.7% (t30) chi angles: 183.7,11.6 | 0.061Å | - | - |
| A 109 | TRP | 35.17 | 0.552Å CZ2 with A 117 LYS HD2 | Favored (62.39%) General case / -51.5,-43.8 | 46.2% (t-105) chi angles: 169.2,263.1 | 0.049Å | - | - |
| A 110 | GLU | 48.4 | 0.41Å OE1 with A 106 ARG NH1 | Favored (66.52%) General case / -68.8,-20.6 | 72.1% (mt-10) chi angles: 297.8,190.3,147.7 | 0.069Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 111 | SER | 40.47 | - | Favored (46.36%) General case / -81.9,-16.5 | 77.5% (p) chi angles: 70.3 | 0.049Å | - | - |
| A 112 | ILE | 42.22 | 0.448Å HB with A 117 LYS HD3 | Favored (87.27%) Pre-proline / -77.1,131.4 | 63.7% (mt) chi angles: 304.1,176.2 | 0.035Å | - | - |
| A 113 | PRO | 47.01 | 0.4Å HD2 with A 116 PHE HD2 | Favored (89.88%) Proline / -61.8,140.6 | 98.5% (Cg_exo) chi angles: 329.6 | 0.01Å | - | - |
| A 114 | LYS | 68.39 | - | Favored (11.83%) General case / -45.9,-41.4 | 48.2% (mmtt) chi angles: 295.8,278.7,198.8,163.6 | 0.044Å | - | - |
| A 115 | LYS | 59.03 | 0.651Å HE3 with A 116 PHE CZ | Favored (55.79%) General case / -64.2,-14.6 | 63.1% (pttt) chi angles: 67.4,172.4,182,178.7 | 0.037Å | - | - |
| A 116 | PHE | 59.35 | 0.651Å CZ with A 115 LYS HE3 | Favored (18.95%) General case / -104.1,-6.3 | 24.1% (m-85) chi angles: 294,134.2 | 0.034Å | - | - |
| A 117 | LYS | 46.66 | 0.552Å HD2 with A 109 TRP CZ2 | Favored (22.32%) Pre-proline / -103.0,138.6 | 41.3% (mtmt) chi angles: 300.2,188.6,289.4,204.6 | 0.061Å | - | - |
| A 118 | PRO | 44.24 | 0.422Å C with A 117 LYS HA | Favored (39.66%) Proline / -77.4,159.5 | 98.5% (Cg_endo) chi angles: 30.5 | 0.026Å | - | - |
| A 119 | LEU | 37.51 | - | Favored (12.42%) General case / -53.9,123.9 | 96.8% (mt) chi angles: 296.5,175.7 | 0.041Å | - | - |
| A 120 | SER | 38.89 | - | Favored (42.13%) General case / -58.2,140.6 | 67.8% (p) chi angles: 57.3 | 0.03Å | - | - |
| A 121 | ASN | 46.17 | - | Favored (6.97%) General case / 60.2,18.9 | 28.5% (m120) chi angles: 306.9,111 | 0.055Å | - | - |
| A 122 | ARG | 35.47 | - | Favored (53.92%) General case / -133.4,151.1 | 46.4% (mtm180) chi angles: 287.8,151.1,281.6,187.1 | 0.036Å | - | - |
| A 123 | ILE | 35.82 | - | Favored (24.24%) General case / -85.3,115.4 | 55.2% (mt) chi angles: 293.1,157.9 | 0.101Å | - | - |
| A 124 | ASN | 35.73 | 0.423Å HD22 with A 124 ASN N | Favored (36.56%) General case / -87.9,136.1 | 1.4% (m-80) chi angles: 291.5,229.8 | 0.031Å | - | - |
| A 125 | VAL | 34.94 | - | Favored (48.28%) General case / -133.5,132.6 | 68.4% (t) chi angles: 179.5 | 0.058Å | - | - |
| A 126 | ILE | 39.59 | - | Favored (61.84%) General case / -121.4,134.2 | 68.7% (mt) chi angles: 303.8,170.3 | 0.039Å | - | - |
| A 127 | LEU | 43.04 | - | Favored (48.13%) General case / -96.2,130.8 | 11% (mt) chi angles: 275.2,157.4 | 0.064Å | - | - |
| A 128 | SER | 42.87 | - | Favored (8.35%) General case / -167.8,152.8 | 31.8% (t) chi angles: 184.5 | 0.049Å | - | - |
| A 129 | ARG | 55.64 | - | Favored (2.9%) General case / -118.8,-40.6 | 72% (mtt85) chi angles: 296.8,178.1,191.8,97 | 0.069Å | - | - |
| A 130 | THR | 52.54 | - | Favored (66.15%) General case / -70.1,-25.0 | 12.2% (p) chi angles: 76.5 | 0.057Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 131 | LEU | 49.62 | - | Favored (35.9%) General case / -116.3,148.4 | 68.8% (mt) chi angles: 304.5,181.2 | 0.044Å | - | - |
| A 132 | LYS | 60.57 | - | Favored (11.6%) General case / -123.2,171.3 | 51.8% (mttp) chi angles: 295.7,173.3,170.4,51.6 | 0.045Å | - | - |
| A 133 | LYS | 56.51 | - | Favored (39.61%) General case / -54.1,-28.4 | 17.1% (pttp) chi angles: 65.3,187.7,190.9,51 | 0.06Å | - | - |
| A 134 | GLU | 61.12 | - | Favored (68.11%) General case / -66.2,-22.1 | 23.4% (mp0) chi angles: 293.7,69.8,41.1 | 0.07Å | - | - |
| A 135 | ASP | 49.77 | - | Favored (43.38%) General case / -82.0,-3.5 | 63.9% (m-20) chi angles: 299.7,124.7 | 0.011Å | - | - |
| A 136 | PHE | 39.89 | - | Favored (56.37%) General case / -121.8,139.3 | 61.2% (m-85) chi angles: 300.7,79.6 | 0.069Å | - | - |
| A 137 | ASP | 41.27 | - | Favored (18.37%) General case / -93.9,-24.8 | 25.5% (t0) chi angles: 186.1,39.9 | 0.114Å | - | - |
| A 138 | GLU | 47.87 | - | Favored (27.53%) General case / -71.1,160.5 | 17.2% (mp0) chi angles: 308.8,90.3,149.4 | 0.04Å | - | - |
| A 139 | ASP | 36.09 | - | Favored (6.03%) General case / -80.6,86.8 | 58.2% (t0) chi angles: 177.3,173.8 | 0.146Å | - | - |
| A 140 | VAL | 36.75 | - | Favored (40.08%) General case / -142.1,158.6 | 16.9% (m) chi angles: 291 | 0.144Å | - | - |
| A 141 | TYR | 37.86 | - | Favored (48.65%) General case / -103.9,135.2 | 56.1% (m-85) chi angles: 282.9,94.2 | 0.115Å | - | - |
| A 142 | ILE | 43.11 | - | Favored (62.45%) General case / -112.2,129.2 | 38.7% (mm) chi angles: 308.2,299.8 | 0.083Å | - | - |
| A 143 | ILE | 46.18 | - | Favored (51.46%) General case / -129.1,147.1 | 23.4% (pt) chi angles: 51.9,175.5 | 0.025Å | - | - |
| A 144 | ASN | 52.32 | - | Favored (18.54%) General case / -112.5,5.8 | 53.1% (p-10) chi angles: 62.4,355 | 0.032Å | - | - |
| A 145 | LYS | 62.26 | - | Favored (32.89%) General case / -148.1,147.4 | 57.1% (mttp) chi angles: 303.8,175.3,170.3,63.2 | 0.115Å | - | - |
| A 146 | VAL | 48.31 | - | Favored (81.3%) General case / -66.7,-34.9 | 95.8% (t) chi angles: 176 | 0.018Å | - | - |
| A 147 | GLU | 64.42 | - | Favored (69.55%) General case / -58.8,-31.5 | 20.8% (mp0) chi angles: 298.1,59,28.7 | 0.067Å | - | - |
| A 148 | ASP | 53.99 | - | Favored (66.22%) General case / -69.3,-21.3 | 74.6% (m-20) chi angles: 286.4,149 | 0.141Å | - | - |
| A 149 | LEU | 43.42 | - | Favored (71.94%) General case / -69.3,-46.5 | 31.9% (tp) chi angles: 168.2,65.9 | 0.09Å | - | - |
| A 150 | ILE | 46.52 | - | Favored (85.17%) General case / -57.8,-43.7 | 45.2% (mm) chi angles: 306.2,301.7 | 0.015Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 151 | VAL | 43.84 | - | Favored (87.16%) General case / -59.9,-47.2 | 87.3% (t) chi angles: 177.7 | 0.067Å | - | - |
| A 152 | LEU | 42.54 | - | Favored (84.17%) General case / -60.5,-48.2 | 50.1% (tp) chi angles: 180.7,57.2 | 0.018Å | - | - |
| A 153 | LEU | 46.7 | - | Favored (68.33%) General case / -56.5,-34.4 | 76.9% (mt) chi angles: 295,181.7 | 0.042Å | - | - |
| A 154 | GLY | 49.85 | - | Favored (63.63%) Glycine / -65.7,-18.3 | - | - | - | - |
| A 155 | LYS | 61.71 | - | Favored (11.32%) General case / -102.4,-25.5 | 93.3% (mttt) chi angles: 300.4,184.4,171.3,178.9 | 0.012Å | - | - |
| A 156 | LEU | 50.6 | - | Favored (18.7%) General case / -87.4,161.6 | 28.2% (mt) chi angles: 299.4,161.9 | 0.046Å | - | - |
| A 157 | ASN | 57.37 | - | Favored (29.07%) General case / -106.2,110.7 | 79.2% (m-20) chi angles: 287.1,315.7 | 0.094Å | - | 1 OUTLIER(S) worst is N-CA-C: -4.433 σ |
| A 158 | TYR | 43.52 | - | Favored (32.65%) General case / -148.4,161.7 | 21.2% (p90) chi angles: 70.7,104.8 | 0.053Å | - | - |
| A 159 | TYR | 44.44 | 0.402Å HB3 with A 100 ASN OD1 | Allowed (0.26%) General case / -84.7,-81.1 | 44.9% (t80) chi angles: 186,60.9 | 0.082Å | - | - |
| A 160 | LYS | 42.81 | - | Favored (22.04%) General case / -121.0,163.9 | 96.6% (mttt) chi angles: 292.3,172.2,175.5,180.1 | 0.025Å | - | - |
| A 161 | CYS | 35.18 | - | Favored (48.46%) General case / -117.5,118.6 | 44.5% (t) chi angles: 176.6 | 0.043Å | - | - |
| A 162 | PHE | 32.43 | - | Favored (61.66%) General case / -110.5,126.1 | 97.7% (m-85) chi angles: 294.6,95.4 | 0.049Å | - | - |
| A 163 | ILE | 35.99 | - | Favored (30.99%) General case / -88.8,118.7 | 29.9% (mm) chi angles: 303.5,310 | 0.092Å | - | - |
| A 164 | LEU | 34.23 | 0.458Å HD22 with A 58 PHE HE1 | Favored (46%) General case / -94.5,4.1 | 14.9% (mt) chi angles: 313,189.6 | 0.057Å | - | - |
| A 165 | GLY | 38.34 | - | Favored (39.16%) Glycine / 94.2,-175.5 | - | - | - | - |
| A 166 | GLY | 37.84 | - | Favored (6.42%) Glycine / -71.3,-158.1 | - | - | - | - |
| A 167 | SER | 51.59 | - | Favored (83.44%) General case / -57.7,-46.3 | 81.5% (p) chi angles: 69.7 | 0.066Å | - | - |
| A 168 | VAL | 41.14 | - | Favored (77.98%) General case / -56.0,-44.6 | 54% (t) chi angles: 170.1 | 0.04Å | - | - |
| A 169 | VAL | 37.42 | - | Favored (84.02%) General case / -65.4,-46.3 | 63.7% (t) chi angles: 171.3 | 0.033Å | - | - |
| A 170 | TYR | 40.77 | - | Favored (80.03%) General case / -58.1,-48.6 | 23.9% (m-85) chi angles: 288.3,129.8 | 0.08Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 171 | GLN | 64.36 | - | Favored (68.29%) General case / -53.0,-46.9 | 60.2% (tt0) chi angles: 178.1,174.4,350.2 | 0.044Å | - | - |
| A 172 | GLU | 60.39 | - | Favored (63.85%) General case / -75.0,-30.0 | 4.9% (pt-20) chi angles: 76.8,208.5,126 | 0.087Å | - | - |
| A 173 | PHE | 43.91 | - | Favored (70.97%) General case / -72.5,-35.6 | 22.2% (m-85) chi angles: 275,77.5 | 0.022Å | - | - |
| A 174 | LEU | 49.16 | - | Favored (69.7%) General case / -71.0,-45.0 | 70.8% (mt) chi angles: 286.8,169 | 0.031Å | - | - |
| A 175 | GLU | 69.22 | - | Favored (79.85%) General case / -56.5,-45.3 | 9.8% (mt-10) chi angles: 261.8,185.1,44.6 | 0.037Å | - | - |
| A 176 | LYS | 58.65 | - | Favored (14.35%) General case / -80.0,5.3 | 63.7% (mttm) chi angles: 303.4,180.8,190,301.1 | 0.038Å | - | - |
| A 177 | LYS | 59.32 | - | Favored (23.44%) General case / 52.8,43.9 | 43.1% (mttm) chi angles: 312.2,190.6,184,312.1 | 0.023Å | - | - |
| A 178 | LEU | 46.03 | - | Favored (29.81%) General case / -99.4,12.0 | 87.3% (mt) chi angles: 291.2,169.6 | 0.036Å | - | - |
| A 179 | ILE | 42.71 | 0.464Å HD12 with A 13 ALA HB2 | Favored (48.46%) General case / -106.0,117.6 | 36.9% (mm) chi angles: 308.1,297.6 | 0.058Å | - | - |
| A 180 | LYS | 56.29 | - | Favored (34.07%) General case / -79.9,-40.1 | 88% (tttt) chi angles: 186.3,178.4,176.2,180.1 | 0.1Å | - | - |
| A 181 | LYS | 41.48 | 0.509Å HB2 with A 12 TYR HD1 | Favored (32.25%) General case / -150.1,152.7 | 94.8% (mttt) chi angles: 284.5,184.8,180.1,173 | 0.098Å | - | - |
| A 182 | ILE | 32.93 | - | Favored (46.73%) General case / -118.8,118.4 | 37.1% (mt) chi angles: 307.6,180.9 | 0.094Å | - | - |
| A 183 | TYR | 31.12 | - | Favored (18.54%) General case / -93.5,103.9 | 80.4% (m-85) chi angles: 288.5,96.1 | 0.098Å | - | - |
| A 184 | PHE | 35.19 | - | Favored (59.1%) General case / -111.4,121.9 | 10.6% (t80) chi angles: 196.1,107 | 0.166Å | - | - |
| A 185 | THR | 29.7 | 0.465Å HB with A 16 ALA HA | Favored (50.02%) General case / -96.7,128.4 | 87.6% (m) chi angles: 301.9 | 0.13Å | - | - |
| A 186 | ARG | 32.72 | - | Favored (26.68%) General case / -100.3,109.9 | 72.9% (mtm180) chi angles: 296,188.9,295.4,190.7 | 0.055Å | - | - |
| A 187 | ILE | 33.12 | - | Favored (25.24%) General case / -90.3,112.5 | 48.3% (mm) chi angles: 299.8,299.5 | 0.121Å | - | - |
| A 188 | ASN | 31.27 | - | Favored (5.11%) General case / -84.3,63.3 | 50.2% (t30) chi angles: 201.2,24.4 | 0.116Å | - | - |
| A 189 | SER | 38.53 | - | Favored (26.67%) General case / -160.5,163.5 | 2.8% (p) chi angles: 38.5 | 0.104Å | - | - |
| A 190 | THR | 40.95 | 0.462Å HG22 with A 21 GLU HB2 | Favored (39.52%) General case / -104.3,139.4 | 23.5% (m) chi angles: 309.4 | 0.086Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 191 | TYR | 41.13 | - | Favored (35.39%) General case / -146.9,158.4 | 60.1% (m-85) chi angles: 306.7,94.2 | 0.096Å | - | - |
| A 192 | GLU | 59.09 | - | Favored (44.89%) General case / -74.3,132.1 | 33.3% (tt0) chi angles: 169.9,178,84.8 | 0.113Å | - | - |
| A 193 | CYS | 44.85 | - | Favored (49.55%) General case / -137.7,157.8 | 74.5% (m) chi angles: 298.6 | 0.075Å | - | - |
| A 194 | ASP | 49.12 | - | Favored (5.23%) General case / -128.8,-7.3 | 17.5% (p30) chi angles: 53.3,32.3 | 0.104Å | - | - |
| A 195 | VAL | 43.4 | - | Favored (51.45%) General case / -132.6,141.1 | 27.4% (m) chi angles: 295.9 | 0.048Å | - | - |
| A 196 | PHE | 44.32 | - | Favored (50.5%) General case / -129.5,156.4 | 14.5% (m-85) chi angles: 314.3,86.3 | 0.071Å | - | - |
| A 197 | PHE | 39.95 | - | Favored (84.4%) Pre-proline / -78.3,145.4 | 49.8% (t80) chi angles: 191.7,77.8 | 0.104Å | - | - |
| A 198 | PRO | 47.24 | - | Favored (90.73%) Proline / -63.1,149.9 | 37.5% (Cg_exo) chi angles: 338.1 | 0.043Å | - | - |
| A 199 | GLU | 65.45 | - | Favored (19.49%) General case / -70.3,121.4 | 36.6% (tt0) chi angles: 183.6,169.5,50.2 | 0.069Å | - | - |
| A 200 | ILE | 54.96 | - | Favored (43.65%) General case / -77.7,133.5 | 98% (mt) chi angles: 297.3,170.9 | 0.034Å | - | - |
| A 201 | ASN | 62.54 | - | Favored (30.32%) General case / -84.8,120.6 | 22.9% (t-20) chi angles: 188.4,296.5 | 0.059Å | - | - |
| A 202 | GLU | 72.73 | - | Favored (53.9%) General case / -64.1,-14.4 | 57.1% (tt0) chi angles: 197.6,179.9,160.1 | 0.078Å | - | - |
| A 203 | ASN | 62.36 | - | Favored (29.84%) General case / -82.5,-31.3 | 77.3% (m-20) chi angles: 292,304.7 | 0.047Å | - | - |
| A 204 | GLU | 64.3 | - | Favored (19.67%) General case / -86.8,-34.2 | 52.6% (mt-10) chi angles: 295.5,173.7,47.2 | 0.069Å | - | - |
| A 205 | TYR | 49.7 | - | Favored (49.51%) General case / -134.1,141.1 | 97.3% (m-85) chi angles: 294.5,92.1 | 0.107Å | - | - |
| A 206 | GLN | 60.98 | - | Favored (49.86%) General case / -133.3,146.5 | 10% (pt20) chi angles: 71.2,170.8,25.6 | 0.024Å | - | - |
| A 207 | ILE | 39.06 | - | Favored (47.53%) General case / -71.1,134.6 | 95.9% (mt) chi angles: 292.9,170.9 | 0.068Å | - | - |
| A 208 | ILE | 40.84 | 0.442Å HD13 with A 227 LYS HD2 | Favored (7.87%) General case / -120.9,-11.5 | 17% (pt) chi angles: 53.6,161.2 | 0.057Å | - | - |
| A 209 | SER | 36.77 | - | Favored (20.4%) General case / -154.7,146.0 | 74.6% (m) chi angles: 294.2 | 0.05Å | - | - |
| A 210 | VAL | 33.99 | - | Favored (36.33%) General case / -139.7,136.9 | 21.2% (m) chi angles: 303.2 | 0.072Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 211 | SER | 25.83 | - | Favored (3.73%) General case / -93.1,-174.3 | 53.2% (p) chi angles: 74.5 | 0.108Å | - | - |
| A 212 | ASP | 31.31 | - | Favored (17.61%) General case / -70.2,165.4 | 58% (t0) chi angles: 184.8,8.4 | 0.15Å | - | - |
| A 213 | VAL | 24.86 | - | Favored (32.06%) General case / -101.7,142.9 | 73.7% (t) chi angles: 173.1 | 0.063Å | - | - |
| A 214 | TYR | 31.14 | 0.546Å O with A 220 THR HA | Favored (28.57%) General case / -135.6,167.0 | 56.7% (m-85) chi angles: 305.6,86.3 | 0.18Å | - | - |
| A 215 | THR | 33.14 | - | Favored (62.88%) General case / -120.5,133.0 | 2.9% (m) chi angles: 282 | 0.116Å | - | - |
| A 216 | SER | 32.35 | - | Favored (9.33%) General case / -151.2,126.7 | 46.8% (t) chi angles: 180.4 | 0.04Å | - | - |
| A 217 | ASN | 37.31 | - | Favored (13.06%) General case / 50.5,51.3 | 10.6% (m120) chi angles: 304.8,83.3 | 0.034Å | - | - |
| A 218 | ASN | 49.25 | - | Favored (9.43%) General case / 66.3,22.0 | 75.3% (m-20) chi angles: 303.5,306.9 | 0.099Å | - | - |
| A 219 | THR | 33.58 | - | Favored (35.42%) General case / -147.8,154.2 | 9.8% (t) chi angles: 180.7 | 0.072Å | - | - |
| A 220 | THR | 28.3 | 0.546Å HA with A 214 TYR O | Favored (15.24%) General case / -97.2,161.6 | 67.6% (p) chi angles: 57.3 | 0.088Å | - | - |
| A 221 | LEU | 28.54 | 0.454Å HD23 with A 221 LEU N | Favored (20.78%) General case / -163.8,160.6 | 2.1% (pt?) chi angles: 63.6,162.8 | 0.107Å | - | - |
| A 222 | ASP | 34.89 | - | Favored (19.33%) General case / -145.0,169.8 | 48.2% (p30) chi angles: 63.9,15.5 | 0.174Å | - | - |
| A 223 | PHE | 31.59 | - | Favored (60.81%) General case / -122.4,125.8 | 46.7% (m-85) chi angles: 308.6,92.3 | 0.091Å | - | - |
| A 224 | ILE | 33.21 | - | Favored (31.05%) General case / -122.9,160.7 | 45.2% (pt) chi angles: 64.3,172.7 | 0.062Å | - | - |
| A 225 | ILE | 32.26 | - | Favored (44.52%) General case / -126.8,120.0 | 72.6% (mt) chi angles: 300.8,176.6 | 0.077Å | - | - |
| A 226 | TYR | 37.83 | - | Favored (33.86%) General case / -97.9,140.8 | 76.4% (m-85) chi angles: 287.1,88.5 | 0.152Å | - | - |
| A 227 | LYS | 52.3 | 0.442Å HD2 with A 208 ILE HD13 | Favored (48.82%) General case / -121.8,143.4 | 82.6% (tttt) chi angles: 188,179.2,187.5,171.7 | 0.047Å | - | - |
| A 228 | LYS | 67.1 | - | Favored (52.75%) General case / -66.0,136.2 | 58.1% (tttt) chi angles: 201.6,177.5,198.5,188.2 | 0.115Å | - | - |
| A 229 | THR | 71.48 | - | Favored (10.66%) General case / -90.8,170.1 | 24.5% (p) chi angles: 72 | 0.067Å | - | 1 OUTLIER(S) worst is N-CA-C: 4.48 σ |
| A 230 | ASN | 85.73 | 0.658Å O with A 230 ASN CG | Favored (3.75%) General case / -91.7,62.5 | 0% chi angles: 123.4,61.8 | 0.083Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 50.74 | Clashscore: 10.45 | Outliers: 1 of 217 | Outliers: 7 of 210 | Outliers: 0 of 213 | Outliers: 0 of 221 | Outliers: 9 of 221 | ||
| A 231 | ASN | 90.95 | - | - | 78.8% (m-20) chi angles: 302.1,312.9 | 0.015Å | - | - |
| 609 | WRA | 49.45 | 0.504Å H91 with A 108 ASN HD21 | - | - | - | - | - |
| 610 | NDP | 50.04 | 0.603Å AH8 with 610 NDP H52A | - | - | - | - | - |
| 611 | UMP | 32.64 | - | - | - | - | - | - |
| 709 | WRA | 67.31 | 0.419Å HH22 with 709 WRA H81 | - | - | - | - | - |
| 710 | NDP | 95.37 | - | - | - | - | - | - |
| 711 | UMP | 37.73 | - | - | - | - | - | - |