Viewing mammal.chicken.PI.3.reduce3H-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 123.83 | 0th percentile* (N=1784, 0Å - 9999Å) |
| Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
| Protein Geometry |
Rotamer outliers | 11.90% | Goal: <1% |
| Ramachandran outliers | 1.69% | Goal: <0.2% | |
| Ramachandran favored | 91.01% | Goal: >98% | |
| Cβ deviations >0.25Å | 32 | Goal: 0 | |
| MolProbity score | 3.89 | 3rd percentile* (N=27675, 0Å - 99Å) | |
| Residues with bad bonds: | 37.10% | Goal: <5% | |
| Residues with bad angles: | 25.27% | Goal: <5% | |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 1 | VAL | 999.99 | 1.275Å C with 2 ARG N | - | 0.7% chi angles: 338.6 | 0.522Å | - | - |
| 2 | ARG | 999.99 | 1.289Å CG with 2 ARG CB | - | 0.9% chi angles: 223.8,207.5,170,242.6 | 0.984Å | 3 OUTLIER(S) worst is C--N: 25.152 σ | - |
| 3 | SER | 463.55 | 1.308Å C with 4 LEU CA | - | 0% chi angles: 14.1 | 0.086Å | - | - |
| 4 | LEU | 199.46 | 1.308Å CA with 3 SER C | Favored (60.61%) General case / -125.8,128.5 | 0.2% chi angles: 203.7,15.5 | 0.219Å | 2 OUTLIER(S) worst is C--N: -21.558 σ | 3 OUTLIER(S) worst is O-C-N: -10.748 σ |
| 5 | ASN | 87.39 | - | Favored (45.62%) General case / -123.4,149.0 | 75.3% (m-20) chi angles: 301.7,302.5 | 0.045Å | - | - |
| 6 | CYS | 4.29 | 0.496Å HB2 with 133 LEU HD12 | Favored (55.16%) General case / -130.1,129.0 | 56.8% (m) chi angles: 285 | 0.101Å | - | - |
| 7 | ILE | 28.36 | - | Favored (47.63%) General case / -120.5,118.8 | 17.7% (tt) chi angles: 188.9,161.9 | 0.094Å | - | - |
| 8 | VAL | 10.82 | - | Favored (42.13%) General case / -142.3,148.2 | 8.9% (p) chi angles: 68.4 | 0.039Å | - | - |
| 9 | ALA | 4.52 | - | Favored (54.29%) General case / -113.2,119.4 | - | 0.112Å | - | - |
| 10 | VAL | 54.28 | - | Favored (50.05%) General case / -122.9,143.7 | 27.2% (m) chi angles: 293.9 | 0.064Å | - | - |
| 11 | CYS | 63.5 | 0.449Å SG with 13 ASN OD1 | Favored (7.21%) General case / -85.1,177.5 | 17.3% (p) chi angles: 72.1 | 0.653Å | - | - |
| 12 | GLN | 245.22 | - | Favored (73.24%) General case / -60.7,-32.3 | 2% (tt0) chi angles: 239.2,170.3,13.7 | 0.087Å | - | - |
| 13 | ASN | 82.57 | 0.449Å OD1 with 11 CYS SG | Favored (6.94%) General case / -86.3,15.3 | 8.4% (p-10) chi angles: 62.7,282.8 | 0.306Å | - | - |
| 14 | MET | 105.13 | - | Favored (12.54%) General case / 63.4,26.9 | 0% chi angles: 254.4,4.3,231 | 0.105Å | - | - |
| 15 | GLY | 58.18 | - | Favored (13.89%) Glycine / -94.7,147.3 | - | - | - | - |
| 16 | ILE | 67.16 | 0.554Å HD11 with 118 SER OG | Favored (4.77%) General case / -123.0,-22.5 | 37.1% (pt) chi angles: 63.6,165.8 | 0.131Å | 1 OUTLIER(S) worst is C--O: -4.041 σ | - |
| 17 | GLY | 27.72 | - | Favored (24.26%) Glycine / -144.9,162.2 | - | - | - | - |
| 18 | LYS | 172.52 | 0.563Å O with 19 ASP HB2 | Favored (20.02%) General case / -147.1,135.9 | 5.4% (tptt) chi angles: 173.2,117.2,188.4,190.7 | 0.074Å | 1 OUTLIER(S) worst is C--N: -6.196 σ | - |
| 19 | ASP | 999.99 | 0.563Å HB2 with 18 LYS O | Allowed (0.2%) General case / 30.2,48.2 | 77.9% (m-20) chi angles: 296,145 | 0.458Å | 1 OUTLIER(S) worst is C--N: -8.072 σ | 3 OUTLIER(S) worst is O-C-N: -15.269 σ |
| 20 | GLY | 113.84 | - | Favored (4.15%) Glycine / 84.3,-33.5 | - | - | 2 OUTLIER(S) worst is C--O: -18.327 σ | 1 OUTLIER(S) worst is C-N-CA: -4.407 σ |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 21 | ASN | 668.22 | - | Favored (2.48%) General case / -112.7,-175.5 | 12.3% (t30) chi angles: 214.7,44.3 | 0.369Å | 1 OUTLIER(S) worst is C--N: -9.128 σ | 2 OUTLIER(S) worst is O-C-N: -6.466 σ |
| 22 | LEU | 45.66 | 0.415Å HA with 23 PRO HD3 | Favored (81.1%) Pre-proline / -79.1,147.8 | 71.5% (mt) chi angles: 294.4,182.6 | 0.078Å | - | - |
| 23 | PRO | 27.21 | 0.415Å HD3 with 22 LEU HA | Favored (14.49%) Proline / -71.1,-34.9 | 39.3% (Cg_exo) chi angles: 337.9 | 0.069Å | - | - |
| 24 | TRP | 85.2 | 0.404Å HA with 25 PRO HD3 | Favored (36.66%) Pre-proline / -94.1,152.2 | 25.3% (p90) chi angles: 46.9,86.5 | 0.041Å | - | - |
| 25 | PRO | 54.54 | 1.083Å O with 25 PRO CA | Favored (12.38%) Proline / -66.7,173.6 | 31.5% (Cg_exo) chi angles: 339.2 | 0.049Å | 1 OUTLIER(S) worst is C--O: -20.317 σ | - |
| 26 | PRO | 480.78 | 1.34Å C with 27 LEU N | Favored (16.84%) Proline / -60.9,123.4 | 5% (Cg_exo) chi angles: 358.5 | 0.078Å | 1 OUTLIER(S) worst is C--N: 16.85 σ | 1 OUTLIER(S) worst is O-C-N: -7.132 σ |
| 27 | LEU | 88.91 | 1.34Å N with 26 PRO C | Favored (19.92%) General case / -108.7,106.3 | 68.6% (mt) chi angles: 298.9,168.9 | 0.063Å | 1 OUTLIER(S) worst is C--N: 21.602 σ | 3 OUTLIER(S) worst is O-C-N: 10.749 σ |
| 28 | ARG | 999.99 | 1.582Å CB with 28 ARG CD | Favored (91.7%) General case / -59.4,-44.0 | 5.1% (ttt180) chi angles: 237.9,182.9,178,168.5 | 0.073Å | - | - |
| 29 | ASN | 57.07 | - | Favored (80.84%) General case / -69.0,-37.5 | 69.1% (m-80) chi angles: 290.1,286.6 | 0.15Å | - | - |
| 30 | GLU | 203.99 | 0.408Å HG2 with 136 THR HG21 | Favored (85.15%) General case / -61.9,-47.9 | 4.6% (tm-20) chi angles: 206.3,295,130.2 | 0.144Å | - | - |
| 31 | PHE | 999.99 | - | Favored (84.27%) General case / -59.2,-39.7 | 11.9% (m-30) chi angles: 284.6,0.2 | 0.108Å | - | - |
| 32 | LYS | 62.82 | - | Favored (89.83%) General case / -58.9,-43.1 | 10% (mttp) chi angles: 289.7,192.8,219.7,101.8 | 0.092Å | - | - |
| 33 | TYR | 265.58 | - | Favored (79.54%) General case / -61.7,-49.4 | 66.8% (t80) chi angles: 169.8,80.7 | 0.092Å | - | - |
| 34 | PHE | 700.13 | 0.775Å HE1 with 115 VAL HG12 | Favored (74.61%) General case / -55.4,-48.0 | 51.4% (t80) chi angles: 166.8,81.2 | 0.194Å | - | - |
| 35 | GLN | 178.63 | - | Favored (73.77%) General case / -64.2,-50.0 | 0% chi angles: 242,207.8,167.7 | 0.045Å | - | - |
| 36 | ARG | 100.85 | - | Favored (76.96%) General case / -60.6,-50.2 | 54.4% (ttp85) chi angles: 175.9,186.7,50.8,90.1 | 0.034Å | - | - |
| 37 | MET | 28.82 | - | Favored (96.33%) General case / -61.9,-44.7 | 98.2% (mmm) chi angles: 296.9,296,290.3 | 0.083Å | - | - |
| 38 | THR | 22.66 | - | Favored (67.69%) General case / -73.2,-32.4 | 68.9% (p) chi angles: 59.3 | 0.173Å | - | - |
| 39 | THR | 22.83 | - | Favored (52.55%) General case / -77.7,-35.1 | 3.4% (m) chi angles: 283.2 | 0.179Å | - | - |
| 40 | THR | 29.23 | - | Favored (46.16%) General case / -73.3,133.0 | 18% (m) chi angles: 311.1 | 0.168Å | 1 OUTLIER(S) worst is C--O: -6.453 σ | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 41 | SER | 66.99 | 0.623Å HG with 42 SER N | Favored (3.69%) General case / -113.6,-179.5 | 23.8% (t) chi angles: 170.2 | 0.057Å | - | 1 OUTLIER(S) worst is O-C-N: -5.417 σ |
| 42 | SER | 322.91 | 0.623Å N with 41 SER HG | Favored (10.97%) General case / -118.8,-1.6 | 5.4% (p) chi angles: 87.2 | 0.333Å | 1 OUTLIER(S) worst is C--N: -11.476 σ | 2 OUTLIER(S) worst is O-C-N: -10.09 σ |
| 43 | VAL | 346.98 | - | Allowed (1.4%) General case / -131.3,60.9 | 60% (t) chi angles: 181.1 | 0.244Å | 2 OUTLIER(S) worst is N--CA: -5.82 σ | 4 OUTLIER(S) worst is O-C-N: -7.664 σ |
| 44 | GLU | 999.99 | 1.11Å C with 45 GLY N | - | 0.8% chi angles: 202.6,22.3,85.6 | 0.645Å | 4 OUTLIER(S) worst is C--N: -22.794 σ | 5 OUTLIER(S) worst is CA-C-N: -27.782 σ |
| 45 | GLY | 748.51 | 1.11Å N with 44 GLU C | - | - | - | 3 OUTLIER(S) worst is N--CA: -7.729 σ | - |
| 46 | LYS | 430.24 | 0.551Å HE2 with 107 ASP O | Favored (28.04%) General case / -77.7,159.2 | 55.8% (mttt) chi angles: 289.2,186.8,155,200.7 | 0.137Å | 3 OUTLIER(S) worst is C--O: -9.423 σ | 1 OUTLIER(S) worst is O-C-N: -8.58 σ |
| 47 | GLN | 154.3 | - | Favored (33.5%) General case / -117.3,152.0 | 68.1% (mt-30) chi angles: 275.3,174.8,329.7 | 0.082Å | 1 OUTLIER(S) worst is C--N: -11.38 σ | 3 OUTLIER(S) worst is O-C-N: -9.233 σ |
| 48 | ASN | 91.93 | - | Favored (25.46%) General case / -82.6,154.0 | 87.4% (m-20) chi angles: 289.5,321.6 | 0.031Å | - | - |
| 49 | ALA | 17.64 | - | Favored (47.6%) General case / -103.7,135.5 | - | 0.138Å | - | - |
| 50 | VAL | 46.73 | - | Favored (54.83%) General case / -117.0,120.5 | 14.3% (m) chi angles: 289.1 | 0.175Å | - | 1 OUTLIER(S) worst is O-C-N: 5.155 σ |
| 51 | ILE | 22.19 | - | Favored (61.82%) General case / -110.8,126.3 | 60.8% (mt) chi angles: 306,172.6 | 0.108Å | - | - |
| 52 | MET | 372.9 | 0.473Å SD with 60 ILE HD12 | Favored (41.66%) General case / -140.2,143.5 | 12.5% (ptp) chi angles: 75.9,186.8,89.5 | 0.243Å | - | - |
| 53 | GLY | 51.87 | - | Favored (17.95%) Glycine / -62.5,171.7 | - | - | - | - |
| 54 | ARG | 50.1 | - | Favored (83.68%) General case / -67.1,-44.4 | 55.9% (ttt-85) chi angles: 192.9,187.8,191.8,261.4 | 0.132Å | - | - |
| 55 | LYS | 94 | 1.469Å CD with 55 LYS NZ | Favored (80.73%) General case / -69.3,-40.0 | 6.1% (tttp) chi angles: 196.2,176.2,213.9,15.1 | 0.037Å | - | - |
| 56 | THR | 22.29 | - | Favored (84.51%) General case / -57.6,-45.0 | 96.7% (m) chi angles: 299.5 | 0.069Å | - | - |
| 57 | TRP | 93.88 | 0.413Å HE3 with 52 MET SD | Favored (89.95%) General case / -59.0,-42.9 | 74.5% (t-105) chi angles: 180.8,247.7 | 0.029Å | - | - |
| 58 | PHE | 168.91 | 1.476Å CG with 58 PHE CE1 | Favored (60.58%) General case / -73.9,-21.3 | 44% (m-85) chi angles: 291.1,74.4 | 0.142Å | - | - |
| 59 | SER | 110.9 | 1.073Å OG with 59 SER HB2 | Favored (77.81%) General case / -70.2,-38.4 | 0% chi angles: 16.9 | 0.042Å | - | - |
| 60 | ILE | 61.57 | 0.473Å HD12 with 52 MET SD | Favored (6.86%) Pre-proline / -64.1,110.8 | 86.7% (mt) chi angles: 299.2,168 | 0.133Å | - | 2 OUTLIER(S) worst is O-C-N: -5.39 σ |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 61 | PRO | 135.88 | 0.85Å CB with 63 LYS HE2 | Favored (8.52%) Proline / -43.2,142.4 | 84.8% (Cg_exo) chi angles: 331 | 0.09Å | - | 2 OUTLIER(S) worst is C-N-CA: 7.571 σ |
| 62 | GLU | 169.79 | 0.401Å O with 65 ARG HB2 | Favored (63.93%) General case / -54.3,-35.8 | 28.6% (tt0) chi angles: 194,183.7,101.2 | 0.071Å | 1 OUTLIER(S) worst is C--N: -4.447 σ | - |
| 63 | LYS | 999.99 | 1.214Å HE3 with 64 ASN ND2 | Favored (63.99%) General case / -65.1,-16.3 | 38% (pttt) chi angles: 46.3,182.5,195.4,180.1 | 0.684Å | 2 OUTLIER(S) worst is CA--C: -5.192 σ | - |
| 64 | ASN | 307.61 | 1.214Å ND2 with 63 LYS HE3 | Favored (11.66%) General case / -101.7,22.4 | 71.4% (m-20) chi angles: 298.3,346.5 | 0.061Å | 3 OUTLIER(S) worst is N--CA: -8.133 σ | - |
| 65 | ARG | 567.71 | 0.401Å HB2 with 62 GLU O | Favored (36.13%) Pre-proline / -116.4,122.5 | 67.3% (mtt180) chi angles: 289.6,183.3,193.4,139.5 | 0.22Å | 2 OUTLIER(S) worst is N--CA: -4.663 σ | - |
| 66 | PRO | 91.49 | 0.644Å HB2 with 72 ASN ND2 | Favored (17.36%) Proline / -84.0,163.3 | 4.4% (Cg_endo) chi angles: 41.4 | 0.071Å | - | - |
| 67 | LEU | 59.23 | - | Allowed (1.73%) General case / -60.8,108.7 | 85% (mt) chi angles: 289.7,170.7 | 0.051Å | - | - |
| 68 | LYS | 975.63 | 1.642Å CG with 68 LYS CA | Favored (2.37%) General case / -46.0,145.2 | 1.3% (pttt) chi angles: 112.3,184.4,167.1,209 | 0.232Å | - | 1 OUTLIER(S) worst is O-C-N: 4.867 σ |
| 69 | ASP | 28.42 | - | Favored (8.01%) General case / 60.4,20.0 | 65.9% (m-20) chi angles: 298.2,124.7 | 0.141Å | - | - |
| 70 | ARG | 14.33 | - | Favored (51.95%) General case / -136.6,157.1 | 39.3% (mtm180) chi angles: 285,149.8,286,193.4 | 0.118Å | - | - |
| 71 | ILE | 16.47 | - | Favored (45.33%) General case / -93.9,128.0 | 57.9% (mt) chi angles: 295.4,158.8 | 0.07Å | - | - |
| 72 | ASN | 65.92 | 0.644Å ND2 with 66 PRO HB2 | Favored (52.54%) General case / -104.4,119.8 | 1.9% (m-80) chi angles: 299.2,244.3 | 0.178Å | - | - |
| 73 | ILE | 35.3 | 0.594Å HG12 with 88 TYR HB2 | Favored (58.8%) General case / -116.3,122.8 | 75.5% (mt) chi angles: 299.3,177 | 0.041Å | - | - |
| 74 | VAL | 8.08 | - | Favored (42.45%) General case / -103.0,137.3 | 48.9% (t) chi angles: 182.6 | 0.106Å | - | - |
| 75 | LEU | 22.09 | - | Favored (47.58%) General case / -99.3,133.4 | 77.4% (mt) chi angles: 297.6,183.1 | 0.022Å | - | - |
| 76 | SER | 13.68 | - | Favored (2.11%) General case / -169.8,136.5 | 35.7% (t) chi angles: 182.6 | 0.121Å | - | - |
| 77 | ARG | 513.6 | - | Favored (22.52%) General case / -86.5,-28.6 | 36% (mtt180) chi angles: 294.7,157.5,194.2,122.5 | 0.139Å | 1 OUTLIER(S) worst is C--O: -5.943 σ | 2 OUTLIER(S) worst is O-C-N: 6.51 σ |
| 78 | GLU | 190.29 | - | Favored (21.59%) General case / -84.5,-39.1 | 81.9% (mt-10) chi angles: 307,172,174.8 | 0.172Å | 1 OUTLIER(S) worst is C--O: -4.774 σ | - |
| 79 | LEU | 91.26 | - | Favored (22.75%) General case / -80.2,165.2 | 77.8% (mt) chi angles: 299.6,171.4 | 0.137Å | 1 OUTLIER(S) worst is C--N: -5.247 σ | - |
| 80 | LYS | 999.99 | - | Allowed (0.65%) General case / -139.1,-48.5 | 5.1% (tptt) chi angles: 238.9,57,188.8,202.1 | 1.877Å | 2 OUTLIER(S) worst is C--O: -9.396 σ | 4 OUTLIER(S) worst is CA-C-N: -7.741 σ |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 81 | GLU | 999.99 | - | Favored (82.22%) Pre-proline / -70.3,157.1 | 30.1% (tt0) chi angles: 176.8,188.6,109 | 0.965Å | 3 OUTLIER(S) worst is C--N: -25.051 σ | 2 OUTLIER(S) worst is C-N-CA: -7.683 σ |
| 82 | PRO | 116.82 | 0.576Å O with 83 PRO C | Allowed (0.54%) Proline / -67.0,87.0 | 80.5% (Cg_exo) chi angles: 330.6 | 0.027Å | 1 OUTLIER(S) worst is C--N: 16.304 σ | 2 OUTLIER(S) worst is C-N-CA: 10.372 σ |
| 83 | PRO | 82.82 | 0.576Å C with 82 PRO O | Allowed (0.26%) Proline / -33.8,116.1 | 5.6% (Cg_endo) chi angles: 8.1 | 0.449Å | 4 OUTLIER(S) worst is C--O: -23.2 σ | 2 OUTLIER(S) worst is CA-C-O: -10.457 σ |
| 84 | LYS | 999.99 | - | OUTLIER (0.03%) General case / -17.5,127.0 | 24.6% (tptt) chi angles: 178.9,40,187.6,160.6 | 0.289Å | 1 OUTLIER(S) worst is C--N: 4.506 σ | 2 OUTLIER(S) worst is C-N-CA: 7.685 σ |
| 85 | GLY | 31.89 | - | Favored (28.87%) Glycine / 90.2,-23.8 | - | - | - | 2 OUTLIER(S) worst is C-N-CA: 10.596 σ |
| 86 | ALA | 16.67 | - | Favored (48.37%) General case / -69.8,143.6 | - | 0.098Å | - | - |
| 87 | HIS | 71.09 | 0.529Å CE1 with 72 ASN HD22 | Favored (23.37%) General case / -71.2,-53.2 | 66.2% (m80) chi angles: 299.4,100.5 | 0.035Å | - | - |
| 88 | TYR | 134.53 | 1.372Å CZ with 88 TYR CD1 | Favored (54.71%) General case / -135.3,154.4 | 63% (m-85) chi angles: 305.7,92 | 0.134Å | - | - |
| 89 | LEU | 311.19 | - | Favored (63.87%) General case / -120.7,131.1 | 0.1% chi angles: 179.1,6.9 | 0.066Å | - | - |
| 90 | ALA | 20.02 | - | Favored (51.39%) General case / -128.3,150.3 | - | 0.119Å | - | - |
| 91 | LYS | 999.99 | - | Favored (30.01%) General case / -84.3,-24.5 | 4.1% (mttp) chi angles: 279.8,138.3,214.4,99.2 | 0.538Å | - | - |
| 92 | SER | 52.54 | - | Favored (30.9%) General case / -151.4,163.7 | 96.2% (p) chi angles: 63.8 | 0.115Å | - | - |
| 93 | LEU | 91.86 | - | Favored (75.37%) General case / -57.6,-37.6 | 53.8% (tp) chi angles: 182.3,65 | 0.12Å | - | - |
| 94 | ASP | 297.7 | 1.314Å C with 98 LYS HZ3 | Favored (76%) General case / -57.8,-37.8 | 2% (m-20) chi angles: 268.3,111.6 | 0.055Å | - | - |
| 95 | ASP | 124.1 | 1.123Å HA with 98 LYS CD | Favored (84%) General case / -68.2,-41.8 | 70.6% (m-20) chi angles: 288.7,141 | 0.118Å | - | - |
| 96 | ALA | 31.78 | 1.444Å C with 97 LEU N | Favored (68.34%) General case / -62.8,-52.2 | - | 0.06Å | - | - |
| 97 | LEU | 108.41 | 1.444Å N with 96 ALA C | Allowed (0.35%) General case / -50.4,-11.5 | 49.7% (mt) chi angles: 283.6,171.3 | 0.139Å | 1 OUTLIER(S) worst is C--N: 14.756 σ | - |
| 98 | LYS | 130.46 | 1.314Å HZ3 with 94 ASP C | Favored (10.04%) General case / -92.1,-46.6 | 37.6% (mttp) chi angles: 315.2,165.8,173.1,70.8 | 0.277Å | - | 3 OUTLIER(S) worst is O-C-N: -14.54 σ |
| 99 | LEU | 71.57 | 0.584Å HG with 105 LEU HD12 | Favored (90.17%) General case / -59.6,-41.6 | 61.4% (tp) chi angles: 178.6,64.9 | 0.116Å | - | - |
| 100 | LEU | 70.65 | 0.647Å HD13 with 112 VAL CG2 | Favored (95.61%) General case / -62.5,-39.8 | 44.9% (mt) chi angles: 285.9,180.1 | 0.057Å | - | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 101 | GLU | 100.17 | 1.221Å OE1 with 106 LYS NZ | Favored (64.88%) General case / -68.9,-15.2 | 6.6% (tp10) chi angles: 203.8,72.6,63.9 | 0.198Å | - | - |
| 102 | SER | 211.02 | 0.835Å CA with 102 SER CB | Favored (98.34%) Pre-proline / -69.3,133.0 | 5.3% (p) chi angles: 87.3 | 1.467Å | 2 OUTLIER(S) worst is C--O: -9.279 σ | - |
| 103 | PRO | 156.5 | - | Allowed (0.75%) Proline / -37.3,-62.0 | 53.9% (Cg_exo) chi angles: 334.6 | 0.129Å | 1 OUTLIER(S) worst is C--N: -8.892 σ | - |
| 104 | GLU | 999.99 | - | Allowed (0.48%) General case / -33.1,-44.6 | 7.2% (pt-20) chi angles: 47.3,191.7,68.8 | 0.214Å | - | - |
| 105 | LEU | 117.67 | 0.584Å HD12 with 99 LEU HG | Favored (15.84%) General case / -87.5,-40.7 | 26.4% (mt) chi angles: 284.5,184.3 | 0.125Å | - | - |
| 106 | LYS | 56.58 | 1.221Å NZ with 101 GLU OE1 | Favored (15.13%) General case / -46.0,-44.5 | 2.3% (tppt?) chi angles: 200.7,78.2,113.3,163.8 | 0.163Å | - | - |
| 107 | ASP | 108.33 | 1.618Å CG with 107 ASP CA | Favored (58.47%) General case / -75.0,-24.4 | 30.6% (p30) chi angles: 56.7,23.2 | 0.157Å | - | - |
| 108 | LYS | 823.63 | - | Favored (19.15%) General case / -93.6,-23.1 | 37.9% (mttp) chi angles: 283.5,177.2,201.8,62.8 | 0.195Å | - | - |
| 109 | VAL | 41.85 | - | Favored (27.68%) General case / -105.5,148.3 | 98.1% (t) chi angles: 176.3 | 0.117Å | - | - |
| 110 | ASP | 116.85 | 0.464Å OD2 with 42 SER OG | Allowed (0.72%) General case / -111.3,-76.8 | 21.1% (t0) chi angles: 180.5,41.2 | 0.13Å | 1 OUTLIER(S) worst is C--N: 5.08 σ | 1 OUTLIER(S) worst is O-C-N: -6.286 σ |
| 111 | MET | 49.64 | - | Favored (25.37%) General case / -104.4,150.0 | 58% (mtm) chi angles: 300,185.3,270.8 | 0.039Å | - | 3 OUTLIER(S) worst is O-C-N: 6.885 σ |
| 112 | VAL | 26.39 | 0.647Å CG2 with 100 LEU HD13 | Favored (45.42%) General case / -110.4,116.3 | 61.2% (t) chi angles: 181.6 | 0.079Å | 1 OUTLIER(S) worst is C--O: -5.756 σ | - |
| 113 | TRP | 48.91 | - | Favored (63.58%) General case / -118.8,131.1 | 92.8% (m95) chi angles: 294.4,90 | 0.227Å | - | - |
| 114 | ILE | 135.56 | 1.229Å CD1 with 114 ILE CB | Favored (48.1%) General case / -97.4,123.1 | 0.9% chi angles: 305.5,238.2 | 0.177Å | - | - |
| 115 | VAL | 180.5 | 0.775Å HG12 with 34 PHE HE1 | Favored (4.34%) General case / -119.7,37.3 | 27.3% (m) chi angles: 296 | 0.161Å | - | - |
| 116 | GLY | 404.35 | 1.479Å C with 117 GLY N | Favored (9.48%) Glycine / 116.3,146.3 | - | - | 3 OUTLIER(S) worst is CA--C: -11.911 σ | 1 OUTLIER(S) worst is N-CA-C: 5.148 σ |
| 117 | GLY | 112.87 | 1.479Å N with 116 GLY C | OUTLIER (0%) Glycine / -5.1,154.5 | - | - | 2 OUTLIER(S) worst is N--CA: -38.572 σ | 4 OUTLIER(S) worst is C-N-CA: 15.965 σ |
| 118 | SER | 67.1 | 0.554Å OG with 16 ILE HD11 | Favored (55.5%) General case / -51.4,-50.2 | 5.5% (m) chi angles: 314.2 | 0.351Å | 1 OUTLIER(S) worst is C--N: -4.677 σ | - |
| 119 | SER | 105.72 | - | Favored (83.85%) General case / -62.8,-35.9 | 82.8% (p) chi angles: 69.3 | 0.518Å | - | - |
| 120 | VAL | 23.89 | - | Favored (76.45%) General case / -66.5,-47.5 | 12.1% (t) chi angles: 191.6 | 0.065Å | 1 OUTLIER(S) worst is C--N: -4.73 σ | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 121 | TYR | 256.86 | 1.511Å CZ with 121 TYR CD1 | Favored (85.05%) General case / -57.8,-43.3 | 63.6% (m-85) chi angles: 287.4,80.3 | 0.058Å | - | - |
| 122 | LYS | 266.22 | - | Favored (80.43%) General case / -58.8,-48.9 | 32.6% (tttt) chi angles: 188,172.7,172,217.3 | 0.028Å | - | - |
| 123 | GLU | 65.46 | - | Favored (89.48%) General case / -61.6,-46.9 | 31.1% (tt0) chi angles: 200.9,184.4,142.3 | 0.225Å | 1 OUTLIER(S) worst is C--N: -4.938 σ | 1 OUTLIER(S) worst is O-C-N: -4.015 σ |
| 124 | ALA | 23.39 | - | Favored (98.06%) General case / -62.6,-43.8 | - | 0.031Å | - | - |
| 125 | MET | 92.84 | 1.076Å SD with 125 MET HE1 | Favored (72.4%) General case / -64.5,-29.2 | 36.1% (mtp) chi angles: 288.3,180.8,41.7 | 0.138Å | - | - |
| 126 | GLU | 194.29 | - | Favored (41.71%) General case / -81.7,-20.0 | 96.7% (mt-10) chi angles: 288.6,179.3,163 | 0.16Å | - | - |
| 127 | LYS | 348.38 | 0.531Å HZ1 with 97 LEU HD12 | Favored (88.77%) Pre-proline / -76.5,134.6 | 4.7% (mmtp) chi angles: 320.7,269.3,193.7,94 | 0.118Å | - | 1 OUTLIER(S) worst is CA-C-N: 4.029 σ |
| 128 | PRO | 122.8 | - | Allowed (1.29%) Proline / -66.1,77.7 | 57.7% (Cg_endo) chi angles: 26.4 | 0.205Å | 4 OUTLIER(S) worst is C--O: -33.728 σ | 1 OUTLIER(S) worst is C-N-CA: 4.247 σ |
| 129 | ILE | 106.39 | 0.525Å HG13 with 130 ASN N | Favored (26.29%) General case / -146.1,166.1 | 0% chi angles: 129.4,152.5 | 0.293Å | 1 OUTLIER(S) worst is C--N: -7.888 σ | 3 OUTLIER(S) worst is O-C-N: -10.403 σ |
| 130 | ASN | 163.27 | 0.525Å N with 129 ILE HG13 | Favored (16.97%) General case / -66.8,121.4 | 3% (m120) chi angles: 280.3,42.2 | 0.068Å | 1 OUTLIER(S) worst is C--N: -5.819 σ | - |
| 131 | GLN | 48.05 | 0.97Å CG with 131 GLN OE1 | Favored (29.12%) General case / -141.3,134.2 | - | 0.184Å | - | - |
| 132 | ARG | 169.98 | - | Favored (44.53%) General case / -110.7,116.1 | 9.4% (mtt-85) chi angles: 285.4,196.5,225.2,290.9 | 0.073Å | - | - |
| 133 | LEU | 165.22 | 0.496Å HD12 with 6 CYS HB2 | Favored (26.01%) General case / -100.9,109.4 | 6.7% (tp) chi angles: 206.3,77.9 | 0.392Å | - | - |
| 134 | PHE | 22.8 | - | Favored (18.08%) General case / -91.3,104.0 | 91.2% (m-85) chi angles: 292.5,85.3 | 0.03Å | - | - |
| 135 | VAL | 19.64 | - | Favored (44.73%) General case / -109.4,116.0 | 82.5% (t) chi angles: 174.7 | 0.094Å | - | - |
| 136 | THR | 13.25 | 0.408Å HG21 with 30 GLU HG2 | Favored (19.93%) General case / -90.2,106.3 | 24.1% (m) chi angles: 309.2 | 0.056Å | - | - |
| 137 | ARG | 188.96 | - | Favored (17.92%) General case / -85.7,107.8 | 23.8% (mmt180) chi angles: 285.4,274.2,185.7,203.6 | 0.096Å | - | - |
| 138 | ILE | 48.43 | 0.534Å HG23 with 175 ILE CG2 | Favored (20.18%) General case / -86.5,110.1 | 0.9% chi angles: 299.5,226.9 | 0.083Å | - | - |
| 139 | LEU | 100.6 | - | Allowed (0.86%) General case / -78.9,46.6 | 93.8% (mt) chi angles: 298.3,178.6 | 0.107Å | - | - |
| 140 | GLN | 111.01 | - | Favored (27.52%) General case / -159.2,158.7 | 7.4% (pt20) chi angles: 61.3,209.7,82.1 | 0.677Å | 1 OUTLIER(S) worst is C--O: -4.693 σ | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 141 | GLU | 149.4 | - | Favored (35.74%) General case / -93.3,138.2 | 26.8% (mt-10) chi angles: 285.1,163,102.6 | 0.08Å | - | - |
| 142 | PHE | 174.73 | 0.577Å HZ with 175 ILE HD13 | Favored (50.16%) General case / -135.3,148.2 | 63.1% (m-85) chi angles: 290,78.8 | 0.052Å | - | - |
| 143 | GLU | 203.64 | 1.262Å OE1 with 143 GLU CG | Favored (29.14%) General case / -64.1,126.9 | 0.1% chi angles: 113.1,189.9,27.7 | 0.087Å | - | - |
| 144 | SER | 70.77 | - | Favored (54.03%) General case / -134.4,156.0 | 19.4% (m) chi angles: 306.4 | 0.079Å | - | - |
| 145 | ASP | 57.14 | - | Favored (5.75%) General case / -123.4,-15.9 | 7.5% (p30) chi angles: 60.4,43.7 | 0.059Å | - | - |
| 146 | THR | 134.28 | 1.158Å OG1 with 146 THR CG2 | Favored (60.04%) General case / -124.6,126.6 | 0.4% chi angles: 244.3 | 0.085Å | 1 OUTLIER(S) worst is C--N: -4.646 σ | - |
| 147 | PHE | 159.1 | - | Favored (38.68%) General case / -121.3,153.7 | 95.3% (m-85) chi angles: 292.7,87.5 | 0.08Å | - | - |
| 148 | PHE | 75.16 | 0.461Å CD2 with 149 PRO O | Favored (46.62%) Pre-proline / -93.5,132.0 | 76.9% (t80) chi angles: 184.8,74.7 | 0.311Å | - | - |
| 149 | PRO | 99.58 | 0.461Å O with 148 PHE CD2 | Favored (59.42%) Proline / -59.4,153.1 | 22.5% (Cg_exo) chi angles: 343.8 | 0.071Å | - | - |
| 150 | GLU | 175.04 | 1.282Å CG with 150 GLU CA | Favored (38.35%) General case / -60.4,144.8 | 4.3% (mt-10) chi angles: 318,213.8,120.2 | 0.05Å | - | 2 OUTLIER(S) worst is O-C-N: 7.835 σ |
| 151 | ILE | 625.47 | - | Favored (28.26%) General case / -92.8,113.4 | 86.6% (mt) chi angles: 300,170.7 | 0.342Å | - | - |
| 152 | ASP | 251.29 | 1.213Å OD1 with 152 ASP OD2 | Favored (3.58%) General case / -74.9,98.2 | 9.9% (t0) chi angles: 189.7,121.6 | 0.128Å | 2 OUTLIER(S) worst is C--N: 4.674 σ | - |
| 153 | LEU | 278.78 | - | Favored (18.02%) General case / -66.5,-6.6 | 13.3% (mt) chi angles: 272.2,166.9 | 0.422Å | - | - |
| 154 | LYS | 125.41 | - | Favored (50.58%) General case / -77.7,-39.3 | 22.2% (mtmm) chi angles: 322,180,300.4,299.6 | 0.357Å | 1 OUTLIER(S) worst is C--N: -5.004 σ | 1 OUTLIER(S) worst is O-C-N: 4.409 σ |
| 155 | SER | 80.78 | - | Favored (15.97%) General case / -74.7,-52.9 | - | 0.167Å | - | - |
| 156 | PHE | 792.91 | 1.62Å CZ with 184 LYS HD3 | Favored (36.59%) General case / -87.7,126.3 | 85% (m-85) chi angles: 289.5,94 | 0.694Å | 2 OUTLIER(S) worst is C--O: -12.295 σ | - |
| 157 | LYS | 999.99 | 1.334Å NZ with 157 LYS CD | Favored (39.33%) General case / -104.7,115.3 | 0% chi angles: 39,220,103.2,177.2 | 0.108Å | 1 OUTLIER(S) worst is C--N: 8.632 σ | 1 OUTLIER(S) worst is O-C-N: 5.211 σ |
| 158 | LEU | 110.98 | 0.448Å HD22 with 182 TYR CZ | Favored (3.28%) General case / -61.9,112.4 | 0.1% chi angles: 178.8,349.2 | 0.05Å | 1 OUTLIER(S) worst is C--N: 12.621 σ | 1 OUTLIER(S) worst is CA-C-N: -4.28 σ |
| 159 | LEU | 446.91 | 1.379Å C with 160 PRO N | OUTLIER (0.12%) Pre-proline / -92.0,-164.8 | 49.3% (mt) chi angles: 309,178 | 0.39Å | 2 OUTLIER(S) worst is C--O: -20.843 σ | - |
| 160 | PRO | 999.99 | 1.379Å N with 159 LEU C | - | 96.6% (Cg_exo) chi angles: 329.3 | 0.108Å | 1 OUTLIER(S) worst is C--N: 23.522 σ | 3 OUTLIER(S) worst is C-N-CA: 26.459 σ |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 161 | GLU | 574.53 | 1.505Å CB with 161 GLU CD | - | 0% chi angles: 122.8,213.3,333.6 | 0.138Å | 2 OUTLIER(S) worst is N--CA: -4.611 σ | - |
| 162 | TYR | 286.91 | 0.505Å CG with 163 PRO HD2 | Favored (26.93%) Pre-proline / -152.9,153.6 | 71% (t80) chi angles: 185.4,82.6 | 0.198Å | - | - |
| 163 | PRO | 413.5 | 0.505Å HD2 with 162 TYR CG | Favored (7.46%) Proline / -59.3,116.0 | 1.2% (Cg_endo) chi angles: 4.3 | 0.181Å | 1 OUTLIER(S) worst is C--N: -5.173 σ | - |
| 164 | GLY | 430.99 | - | Favored (79.91%) Glycine / 83.8,12.7 | - | - | - | - |
| 165 | VAL | 159.69 | - | Favored (47.87%) Pre-proline / -115.5,108.7 | 60% (t) chi angles: 171 | 0.165Å | 1 OUTLIER(S) worst is C--O: -4.847 σ | - |
| 166 | PRO | 295.56 | - | Favored (26.77%) Proline / -48.5,134.1 | 32.4% (Cg_exo) chi angles: 338.6 | 0.115Å | 1 OUTLIER(S) worst is C--N: 16.03 σ | 3 OUTLIER(S) worst is C-N-CA: 16.764 σ |
| 167 | SER | 151.81 | - | Favored (53.18%) General case / -78.6,-17.8 | 0.1% chi angles: 19.9 | 0.56Å | 3 OUTLIER(S) worst is C--N: -29.366 σ | 3 OUTLIER(S) worst is O-C-N: -20.555 σ |
| 168 | ASP | 499.36 | 1.338Å CG with 168 ASP CA | Favored (7.54%) General case / -77.6,176.4 | 0% chi angles: 19.2,218.1 | 0.085Å | 2 OUTLIER(S) worst is C--N: -8.165 σ | 2 OUTLIER(S) worst is CA-C-N: 4.873 σ |
| 169 | VAL | 149.65 | 0.639Å HG22 with 178 LYS HB3 | Favored (48.88%) General case / -96.9,124.7 | 30.9% (t) chi angles: 186.1 | 0.461Å | - | - |
| 170 | GLN | 150.13 | - | Favored (24.85%) General case / -99.3,147.3 | 55.3% (mt-30) chi angles: 310.3,185.3,11 | 0.279Å | 3 OUTLIER(S) worst is C--O: -14.046 σ | 1 OUTLIER(S) worst is O-C-N: 4.545 σ |
| 171 | GLU | 530.09 | - | Favored (57.41%) General case / -130.1,131.6 | 84.4% (tt0) chi angles: 187.8,174.6,170.5 | 0.23Å | 1 OUTLIER(S) worst is C--O: -11.968 σ | 2 OUTLIER(S) worst is O-C-N: -5.306 σ |
| 172 | GLU | 159.94 | 0.606Å HB3 with 27 LEU HD22 | Favored (12.6%) General case / -142.9,121.8 | 84.4% (tt0) chi angles: 186.6,173,170.8 | 0.144Å | 1 OUTLIER(S) worst is C--N: 12.966 σ | - |
| 173 | ASN | 185.64 | - | Favored (5.29%) General case / 69.2,31.3 | 69.4% (m-80) chi angles: 300,292.7 | 0.023Å | - | 3 OUTLIER(S) worst is O-C-N: 9.307 σ |
| 174 | GLY | 249.33 | 1.464Å C with 175 ILE N | Favored (40.17%) Glycine / 75.7,-8.0 | - | - | - | - |
| 175 | ILE | 253.69 | 1.464Å N with 174 GLY C | Favored (13.34%) General case / -91.8,99.5 | 62.5% (mt) chi angles: 299.6,180.2 | 0.093Å | 1 OUTLIER(S) worst is C--N: 15.225 σ | 3 OUTLIER(S) worst is O-C-N: -6.655 σ |
| 176 | GLN | 100.19 | - | Favored (55.97%) General case / -64.5,138.7 | 81.4% (mt-30) chi angles: 285.9,180.2,294.1 | 0.049Å | 1 OUTLIER(S) worst is C--N: 6.299 σ | 1 OUTLIER(S) worst is O-C-N: -6.314 σ |
| 177 | TYR | 204.16 | - | Favored (37.26%) General case / -145.9,149.0 | 39.2% (p90) chi angles: 53.8,92.5 | 0.088Å | - | - |
| 178 | LYS | 243.35 | 0.639Å HB3 with 169 VAL HG22 | Favored (51.09%) General case / -130.1,147.0 | 31.9% (pttt) chi angles: 52.4,164.4,164.7,163.5 | 0.164Å | - | - |
| 179 | PHE | 329.19 | 1.604Å CZ with 179 PHE CD1 | Favored (44.82%) General case / -98.1,120.2 | 0.4% chi angles: 305.5,198 | 0.056Å | 1 OUTLIER(S) worst is C--O: -5.734 σ | - |
| 180 | GLU | 433.57 | - | Favored (43.34%) General case / -121.5,147.4 | 67.5% (mt-10) chi angles: 302,178.5,22.3 | 0.091Å | 1 OUTLIER(S) worst is C--O: -5.582 σ | - |
| # | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
| Avg: 234.97 | Clashscore: 123.83 | Outliers: 3 of 178 | Outliers: 20 of 168 | Outliers: 32 of 176 | Outliers: 69 of 186 | Outliers: 47 of 186 | ||
| 181 | VAL | 25.19 | - | Favored (55.86%) General case / -121.9,121.7 | 27.6% (t) chi angles: 186.4 | 0.046Å | - | - |
| 182 | TYR | 280.07 | 0.452Å HB2 with 133 LEU HB3 | Favored (52.3%) General case / -108.6,118.0 | 75.4% (m-85) chi angles: 295.2,80.4 | 0.159Å | 1 OUTLIER(S) worst is C--O: -6.99 σ | - |
| 183 | GLU | 297.64 | 0.592Å O with 157 LYS HG2 | Favored (58.78%) General case / -106.3,130.3 | 37.4% (tt0) chi angles: 185.3,177.9,95 | 0.071Å | 1 OUTLIER(S) worst is C--N: -8.719 σ | - |
| 184 | LYS | 67.75 | 1.62Å HD3 with 156 PHE CZ | Favored (62.25%) General case / -111.8,129.6 | 8% (tttp) chi angles: 172.7,179.8,141,104.5 | 0.113Å | 1 OUTLIER(S) worst is C--N: -4.382 σ | - |
| 185 | SER | 131.58 | 1.233Å C with 186 ASP N | Allowed (1.34%) General case / -126.9,65.6 | 66.4% (m) chi angles: 298.4 | 0.685Å | 1 OUTLIER(S) worst is C--O: -11.552 σ | 1 OUTLIER(S) worst is O-C-N: 4.084 σ |
| 186 | ASP | 416.54 | 1.233Å N with 185 SER C | - | 5.2% (p-10) chi angles: 48.2,117.6 | 0.316Å | 2 OUTLIER(S) worst is C--N: 27.094 σ | 2 OUTLIER(S) worst is O-C-N: -5.748 σ |