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All-Atom
Contacts
Clashscore, all atoms:35.34 5th percentile* (N=773, 1.65Å - 2.15Å)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry
Rotamer outliers14.29% Goal: <1%
Ramachandran outliers0.00% Goal: <0.2%
Ramachandran favored96.74% Goal: >98%
Cβ deviations >0.25Å19 Goal: 0
MolProbity score3.115th percentile* (N=12147, 1.65Å - 2.15Å)
Residues with bad bonds:0.53% Goal: <5%
Residues with bad angles:16.04% Goal: <5%
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst.

#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 1 VAL32.291.16Å
CG2 with A 100 THR HG22
-28.9% (t)
chi angles: 186.3
0.202Å--
A 2 GLY29.89-Favored (2.71%)
Glycine / -83.4,-123.1
----
A 3 SER28.23-Favored (42.36%)
General case / -73.8,147.9
20.1% (m)
chi angles: 305.7
0.095Å-1 OUTLIER(S)
worst is N-CA-C: 4.887 σ
A 4 LEU24.930.928Å
HD23 with A 131 LEU CD1
Favored (41.3%)
General case / -109.5,115.0
14.7% (tp)
chi angles: 188.9,78.2
0.22Å--
A 5 ASN22.27-Favored (48.58%)
General case / -137.0,147.8
0%
chi angles: 336.9,253
0.051Å--
A 6 CYS20.94-Favored (26.52%)
General case / -109.9,153.2
64.7% (m)
chi angles: 302.5
0.139Å--
A 7 ILE17.840.421Å
HG13 with A 134 PHE HB2
Favored (18.49%)
General case / -145.6,132.1
4.8% (tt)
chi angles: 197.6,187.7
0.413Å--
A 8 VAL19.060.505Å
HG21 with A 148 PHE CD1
Favored (29.61%)
General case / -156.0,157.3
7.9% (p)
chi angles: 59.4
0.173Å--
A 9 ALA19.02-Favored (39.33%)
General case / -127.3,118.7
-0.085Å--
A 10 VAL18.09-Favored (49.05%)
General case / -123.6,145.3
0%
chi angles: 252.5
0.232Å-1 OUTLIER(S)
worst is C-N-CA: 5.807 σ
A 11 SER19.06-Favored (14.64%)
General case / -93.0,163.0
86% (p)
chi angles: 61.3
0.066Å--
A 12 GLN27.79-Favored (4.33%)
General case / -47.0,-30.2
52% (tt0)
chi angles: 188.3,173.7,330.6
0.078Å--
A 13 ASN24.86-Favored (9.92%)
General case / -91.4,17.5
24.9% (p-10)
chi angles: 62,323.6
0.23Å--
A 14 MET27.960.722Å
O with A 147 PHE HD2
Favored (10.86%)
General case / 59.7,47.9
0.4%
chi angles: 234.4,55.5,200.9
0.082Å--
A 15 GLY22.91-Favored (7.82%)
Glycine / -128.2,133.8
----
A 16 ILE19.410.533Å
O with 187 NDP H2N
Favored (12.47%)
General case / -110.6,-16.9
17.2% (pt)
chi angles: 65.7,184.3
0.05Å--
A 17 GLY16.43-Favored (26.46%)
Glycine / -152.4,158.4
---1 OUTLIER(S)
worst is O-C-N: -4.047 σ
A 18 LYS20.24-Favored (6.42%)
General case / -146.2,115.8
0%
chi angles: 213.1,218.4,343.1,219.3
0.307Å--
A 19 ASN21.37-Favored (8.66%)
General case / 47.1,52.9
73.1% (m-20)
chi angles: 279.2,331.5
0.209Å--
A 20 GLY21.29-Favored (56.77%)
Glycine / 78.4,-7.2
----
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 21 ASP28.75-Favored (2.09%)
General case / -129.8,-171.3
8% (t0)
chi angles: 211.5,160.1
0.115Å-1 OUTLIER(S)
worst is CA-C-N: 5.421 σ
A 22 LEU20.710.52Å
HD11 with 188 MTX H7
Favored (75.63%)
Pre-proline / -79.9,155.7
15% (mt)
chi angles: 293.4,153.6
0.119Å--
A 23 PRO21.410.43Å
HD3 with A 22 LEU HA
Favored (36.14%)
Proline / -70.9,-20.0
48.2% (Cg_exo)
chi angles: 337.1
0.166Å--
A 24 TRP21.860.616Å
HB2 with A 25 PRO HD2
Favored (34.73%)
Pre-proline / -111.0,157.3
31.3% (p90)
chi angles: 51.3,82.9
0.149Å--
A 25 PRO27.170.616Å
HD2 with A 24 TRP HB2
Favored (27.12%)
Proline / -55.7,155.6
32.1% (Cg_exo)
chi angles: 341.2
0.073Å--
A 26 PRO30.14-Favored (14.48%)
Proline / -72.7,128.6
1.4% (Cg_endo)
chi angles: 2.8
0.246Å--
A 27 LEU30.68-Favored (26.36%)
General case / -104.3,109.3
3.5% (mt)
chi angles: 325.2,162.7
0.156Å-1 OUTLIER(S)
worst is N-CA-C: -4.322 σ
A 28 ARG41.810.547Å
O with A 32 ARG HG3
Favored (65.26%)
General case / -70.0,-17.1
1.1% (mtt180)
chi angles: 280.9,133.8,208.2,210.9
0.058Å--
A 29 ASN30.6-Favored (23.02%)
General case / -88.0,-25.9
32.7% (m-20)
chi angles: 271.5,319.5
0.123Å--
A 30 GLU25.32-Favored (71.76%)
General case / -67.3,-48.6
0%
chi angles: 199.2,315,100.8
0.086Å-1 OUTLIER(S)
worst is CA-C-N: -4.471 σ
A 31 PHE23.06-Favored (93.5%)
General case / -64.7,-38.6
14.3% (m-85)
chi angles: 275.6,123
0.123Å--
A 32 ARG30.460.547Å
HG3 with A 28 ARG O
Favored (51.82%)
General case / -52.5,-52.5
9.6% (mtt180)
chi angles: 279.6,220.6,194.8,153.2
0.11Å--
A 33 TYR18.99-Favored (86.18%)
General case / -61.7,-47.7
64.3% (t80)
chi angles: 169.3,75.9
0.182Å-1 OUTLIER(S)
worst is C-N-CA: 4.458 σ
A 34 PHE20.38-Favored (48.79%)
General case / -51.6,-51.7
23.4% (t80)
chi angles: 163.2,87
0.156Å--
A 35 GLN25.43-Favored (84.22%)
General case / -66.8,-36.2
32.8% (tt0)
chi angles: 164.7,192.6,59
0.038Å--
A 36 ARG30.070.716Å
NH1 with A 36 ARG HG2
Favored (71.81%)
General case / -68.6,-47.3
5.4% (ttp85)
chi angles: 174.7,154.8,93.5,54.1
0.201Å--
A 37 MET28-Favored (90.79%)
General case / -63.9,-45.6
99.3% (mmm)
chi angles: 292.4,300.7,286.5
0.071Å--
A 38 THR24.42-Favored (41.96%)
General case / -79.6,-32.5
36.5% (p)
chi angles: 68.3
0.3Å--
A 39 THR28.40.508Å
O with A 39 THR HG22
Favored (23.82%)
General case / -84.5,-32.8
51.7% (m)
chi angles: 295.5
0.174Å--
A 40 THR30.35-Favored (31.58%)
General case / -71.4,126.6
88.3% (m)
chi angles: 302
0.229Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 41 SER35.89-Favored (61.89%)
General case / -112.3,126.3
20.2% (t)
chi angles: 188.6
0.067Å--
A 42 SER40.09-Favored (15.53%)
General case / -75.1,0.1
88.6% (p)
chi angles: 65.6
0.3Å--
A 43 VAL40.831.135Å
CG1 with A 46 LYS HD2
Favored (26.65%)
General case / -134.8,120.9
51.8% (t)
chi angles: 168.9
0.083Å--
A 44 GLU45.1-Favored (49.06%)
General case / -58.7,134.4
0.4%
chi angles: 139.6,91,32.1
0.147Å--
A 45 GLY38.39-Favored (58.27%)
Glycine / 76.8,-4.7
----
A 46 LYS35.161.135Å
HD2 with A 43 VAL CG1
Favored (24.14%)
General case / -107.9,154.5
14.9% (mttt)
chi angles: 267.5,151,175.1,220.1
0.193Å--
A 47 GLN32.360.581Å
O with A 109 VAL HA
Favored (30.05%)
General case / -124.6,162.2
27.8% (mt-30)
chi angles: 272.4,196.7,354.6
0.137Å-1 OUTLIER(S)
worst is O-C-N: 4.349 σ
A 48 ASN27.69-Favored (21.54%)
General case / -94.1,148.8
97.3% (m-20)
chi angles: 290.8,335.7
0.096Å--
A 49 LEU24.840.566Å
HD23 with A 112 VAL HB
Favored (56.7%)
General case / -107.1,133.6
19.3% (tp)
chi angles: 171.3,75.4
0.057Å--
A 50 VAL21.010.696Å
HG21 with A 67 LEU HD12
Favored (63.15%)
General case / -115.3,129.0
0.9%
chi angles: 342.1
0.315Å--
A 51 ILE18.01-Favored (59.31%)
General case / -114.4,123.0
43.3% (mt)
chi angles: 294.4,183.9
0.142Å--
A 52 MET19.190.663Å
HE2 with A 50 VAL HG23
Favored (39.81%)
General case / -141.4,143.4
3.3% (ptp)
chi angles: 86.2,209.4,66.6
0.033Å--
A 53 GLY19.05-Favored (45.22%)
Glycine / -72.3,174.1
----
A 54 LYS18.95-Favored (72.19%)
General case / -68.6,-30.6
0.7%
chi angles: 148.5,183.7,114.7,200
0.118Å--
A 55 LYS20.570.522Å
NZ with 194 HOH O
Favored (55.5%)
General case / -76.6,-21.4
19.3% (tttt)
chi angles: 192.1,209.6,204.4,204.1
0.22Å--
A 56 THR19.54-Favored (31.3%)
General case / -75.2,-48.5
89.8% (m)
chi angles: 297.8
0.145Å--
A 57 TRP20.420.551Å
O with A 65 ARG HD2
Favored (62.68%)
General case / -52.0,-42.0
16.3% (t-105)
chi angles: 165.4,272
0.185Å--
A 58 PHE24.67-Favored (56.01%)
General case / -77.3,-11.8
44.3% (m-85)
chi angles: 283.1,112.6
0.258Å--
A 59 SER27.55-Favored (30.83%)
General case / -95.1,-9.2
12.9% (p)
chi angles: 47.9
0.112Å--
A 60 ILE25.920.525Å
O with A 65 ARG HD3
Favored (68.55%)
Pre-proline / -83.9,133.8
6.4% (mt)
chi angles: 305.1,141.5
0.143Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 61 PRO26.29-Favored (51.24%)
Proline / -54.0,133.9
6.2% (Cg_exo)
chi angles: 357.3
0.161Å--
A 62 GLU32.5-Favored (2.01%)
General case / -38.4,-50.1
6.7% (tt0)
chi angles: 202.6,147.6,155.6
0.107Å--
A 63 LYS33.86-Favored (69.35%)
General case / -60.5,-28.3
0%
chi angles: 76.8,109.9,132.7,193.5
0.16Å--
A 64 ASN29.31-Favored (33.92%)
General case / -99.7,9.7
81.3% (m-20)
chi angles: 280.8,338.1
0.155Å--
A 65 ARG27.690.551Å
HD2 with A 57 TRP O
Favored (37.04%)
Pre-proline / -108.2,125.9
7.1% (mtp180)
chi angles: 267.2,173.3,27.4,204.6
0.063Å-1 OUTLIER(S)
worst is C-N-CA: 4.299 σ
A 66 PRO22.860.419Å
HB2 with A 72 ASN CG
Favored (46.15%)
Proline / -76.1,155.2
66.5% (Cg_endo)
chi angles: 33.8
0.123Å--
A 67 LEU19.550.696Å
HD12 with A 50 VAL HG21
Favored (34.14%)
General case / -54.5,132.6
85.8% (mt)
chi angles: 302,178.3
0.145Å-1 OUTLIER(S)
worst is CA-C-O: -4.227 σ
A 68 LYS27.29-Favored (30.39%)
General case / -84.3,143.9
11.5% (pttt)
chi angles: 79.3,202.8,151.5,197.4
0.202Å-1 OUTLIER(S)
worst is O-C-N: 7.022 σ
A 69 GLY21.48-Favored (88.91%)
Glycine / 83.8,1.3
----
A 70 ARG19.960.53Å
HH22 with 188 MTX CT
Favored (44.71%)
General case / -116.7,143.9
47.1% (mtm180)
chi angles: 280.1,151.3,287,169.9
0.167Å--
A 71 ILE20.180.408Å
HG13 with A 47 GLN OE1
Favored (26.71%)
General case / -85.7,117.4
10.1% (mt)
chi angles: 287,145.8
0.089Å-1 OUTLIER(S)
worst is O-C-N: 4.402 σ
A 72 ASN17.120.63Å
HD22 with A 72 ASN N
Favored (37.44%)
General case / -91.2,121.5
1.1% (m-80)
chi angles: 293.8,227.2
0.111Å--
A 73 LEU18.520.819Å
HD23 with A 73 LEU C
Favored (63.94%)
General case / -121.0,129.6
6.2% (tt)
chi angles: 185.6,167.3
0.084Å--
A 74 VAL20.310.619Å
N with A 73 LEU HD23
Favored (19.77%)
General case / -98.0,152.9
5.9% (t)
chi angles: 194.1
0.228Å--
A 75 LEU23.33-Favored (60.54%)
General case / -116.9,133.7
21.5% (mt)
chi angles: 280.8,182.2
0.098Å--
A 76 SER27.64-Allowed (0.55%)
General case / -179.6,142.8
8.4% (t)
chi angles: 163.1
0.122Å--
A 77 ARG35.55-Favored (16.66%)
General case / -98.9,-18.3
92.4% (mtt180)
chi angles: 304.6,177,165.3,185.1
0.274Å--
A 78 GLU34.15-Favored (6.33%)
General case / -80.2,-55.4
83.1% (mt-10)
chi angles: 294.9,189.4,154.9
0.076Å--
A 79 LEU27.90.452Å
HB2 with A 89 LEU HD21
Favored (33.77%)
General case / -59.8,145.4
92.5% (mt)
chi angles: 296,178.6
0.132Å--
A 80 LYS34-Favored (13.76%)
General case / -92.6,-35.8
1.3% (mmtp)
chi angles: 289,323.6,208.4,106.2
0.257Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 81 GLU29.380.539Å
C with A 89 LEU HD23
Favored (67.75%)
Pre-proline / -132.1,156.6
12.8% (pt-20)
chi angles: 77.2,176.1,121
0.104Å--
A 82 PRO26.53-Favored (72.9%)
Proline / -55.7,140.1
24.3% (Cg_exo)
chi angles: 342.8
0.103Å--
A 83 PRO27.04-Favored (52.56%)
Proline / -58.3,153.2
3.6% (Cg_endo)
chi angles: 6.5
0.05Å--
A 84 GLN33.53-Favored (22.49%)
General case / -52.1,130.0
1.9% (tt0)
chi angles: 145.6,161.3,70.2
0.073Å--
A 85 GLY26.43-Favored (34.21%)
Glycine / 100.2,-24.2
----
A 86 ALA26.35-Favored (27.93%)
General case / -75.7,160.4
-0.161Å--
A 87 HIS24.45-Favored (7.59%)
General case / -106.4,-32.2
25.8% (m80)
chi angles: 310.3,112.3
0.228Å-1 OUTLIER(S)
worst is CA-C-O: -4.488 σ
A 88 PHE25.65-Favored (38.15%)
General case / -143.3,158.5
94.7% (m-85)
chi angles: 292.1,95.5
0.143Å-1 OUTLIER(S)
worst is O-C-N: 5.551 σ
A 89 LEU25.320.539Å
HD23 with A 81 GLU C
Favored (46.04%)
General case / -135.8,138.1
0.3%
chi angles: 175.2,24.6
0.036Å--
A 90 SER25.690.41Å
N with A 89 LEU HD12
Favored (51.17%)
General case / -138.0,155.3
5.3% (m)
chi angles: 314.3
0.134Å--
A 91 ARG39.030.717Å
HB3 with 221 HOH O
Favored (38.56%)
General case / -95.8,-4.1
0%
chi angles: 60.4,105.8,257.3,197.5
0.066Å--
A 92 SER28.760.45Å
HB3 with A 91 ARG HE
Favored (30.09%)
General case / -157.7,160.2
77.6% (p)
chi angles: 70.3
0.013Å--
A 93 LEU30.30.883Å
O with A 97 LEU HG
Favored (65.15%)
General case / -72.3,-27.2
2.3% (tp)
chi angles: 169.8,95.8
0.091Å--
A 94 ASP33.180.796Å
O with A 98 LYS HG3
Favored (65.5%)
General case / -74.9,-35.9
61.7% (m-20)
chi angles: 280.7,153.6
0.241Å--
A 95 ASP33.660.419Å
OD2 with A 91 ARG NE
Favored (87.49%)
General case / -67.5,-39.8
81.3% (m-20)
chi angles: 282.6,158.9
0.076Å--
A 96 ALA32.07-Favored (97.47%)
General case / -61.9,-41.2
-0.227Å--
A 97 LEU33.060.883Å
HG with A 93 LEU O
Favored (73.57%)
General case / -71.4,-35.4
16.5% (mt)
chi angles: 316.6,179.4
0.059Å--
A 98 LYS39.290.796Å
HG3 with A 94 ASP O
Favored (99.44%)
General case / -63.3,-40.9
22.8% (mttp)
chi angles: 311.5,173.2,164.8,96.6
0.131Å--
A 99 LEU39.521.025Å
HD22 with A 105 LEU HD12
Favored (23.25%)
General case / -54.6,-24.3
0.8%
chi angles: 204.4,189.8
0.262Å--
A 100 THR43.531.16Å
HG22 with A 1 VAL CG2
Favored (66.16%)
General case / -72.2,-28.6
1.5% (m)
chi angles: 324.5
0.096Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 101 GLU48.120.411Å
HB2 with A 98 LYS O
Favored (46.54%)
General case / -86.0,-12.1
73.7% (mm-40)
chi angles: 302.3,302.4,148.7
0.082Å--
A 102 GLN48.610.724Å
HG2 with A 99 LEU HA
Favored (88.85%)
Pre-proline / -76.8,144.7
55.3% (mm-40)
chi angles: 313.5,296,289.7
0.103Å--
A 103 PRO49.310.425Å
HA with A 106 ALA HB3
Favored (74.24%)
Proline / -63.4,-25.1
51.5% (Cg_endo)
chi angles: 25.2
0.152Å--
A 104 GLU50.54-Favored (3.33%)
General case / -49.9,-61.6
0.5%
chi angles: 13,190.4,162.4
0.112Å--
A 105 LEU48.131.025Å
HD12 with A 99 LEU HD22
Favored (24.36%)
General case / -88.4,-23.0
65% (mt)
chi angles: 287.7,177.9
0.127Å--
A 106 ALA47.10.478Å
N with A 102 GLN O
Allowed (1.24%)
General case / -50.8,-17.1
-0.054Å--
A 107 ASN46.82-Favored (10.31%)
General case / -120.2,-2.5
1.2% (p30)
chi angles: 34.6,21.1
0.135Å--
A 108 LYS42.42-Favored (13.47%)
General case / -97.3,-29.2
50.6% (mttp)
chi angles: 295.8,170.1,175.9,51.2
0.079Å--
A 109 VAL38.230.581Å
HA with A 47 GLN O
Favored (54.27%)
General case / -100.8,130.4
39.1% (t)
chi angles: 166.1
0.082Å-1 OUTLIER(S)
worst is C-N-CA: 4.624 σ
A 110 ASP33.3-Allowed (0.27%)
General case / -97.8,-88.6
9.5% (t0)
chi angles: 164.5,14
0.238Å--
A 111 MET28.47-Favored (18.49%)
General case / -100.0,156.9
0.1%
chi angles: 339.4,193.5,236.1
0.159Å--
A 112 VAL22.990.842Å
HG22 with A 4 LEU HD12
Favored (61.29%)
General case / -116.2,132.8
0.5%
chi angles: 2.1
0.303Å--
A 113 TRP20.390.633Å
O with A 50 VAL HA
Favored (59.15%)
General case / -115.7,123.1
90.9% (m95)
chi angles: 285.8,97.4
0.153Å--
A 114 ILE17.710.507Å
HD11 with A 4 LEU HD11
Favored (35.37%)
General case / -94.3,116.8
6.4% (mt)
chi angles: 285.9,142.1
0.065Å-1 OUTLIER(S)
worst is C-N-CA: 5.869 σ
A 115 VAL16.16-Favored (19.61%)
General case / -111.9,6.1
2.5% (m)
chi angles: 317.8
0.407Å--
A 116 GLY17.330.488Å
O with A 52 MET HA
Favored (24.12%)
Glycine / 107.3,-179.1
---2 OUTLIER(S)
worst is O-C-N: 6.206 σ
A 117 GLY22.58-Favored (20.75%)
Glycine / -83.8,-153.8
---2 OUTLIER(S)
worst is C-N-CA: 4.556 σ
A 118 SER23.3-Favored (6.36%)
General case / -44.4,-54.9
1.9% (m)
chi angles: 320.1
0.224Å-1 OUTLIER(S)
worst is N-CA-C: 4.373 σ
A 119 SER25.08-Favored (95.58%)
General case / -62.4,-39.9
0.3%
chi angles: 26.9
0.082Å--
A 120 VAL23.470.576Å
HG22 with 187 NDP N7A
Favored (70.04%)
General case / -72.8,-34.9
44.8% (t)
chi angles: 183.8
0.05Å-2 OUTLIER(S)
worst is O-C-N: 5.818 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 121 TYR23.860.631Å
O with A 125 MET HB2
Favored (65.41%)
General case / -71.6,-46.4
22.7% (m-85)
chi angles: 280.7,123.5
0.12Å-1 OUTLIER(S)
worst is O-C-N: 6.216 σ
A 122 LYS31.48-Favored (59.79%)
General case / -51.3,-42.2
0.5%
chi angles: 215.4,193.1,138.3,136.2
0.06Å--
A 123 GLU38.07-Favored (27.79%)
General case / -79.3,-43.6
7% (tp10)
chi angles: 190.7,75.8,78.3
0.251Å--
A 124 ALA31.52-Favored (94.29%)
General case / -61.5,-45.5
-0.072Å--
A 125 MET36.060.631Å
HB2 with A 121 TYR O
Favored (31.29%)
General case / -53.5,-28.2
0.3%
chi angles: 189.1,103.5,156
0.166Å--
A 126 ASN41.37-Favored (21.25%)
General case / -108.4,0.6
11.7% (m-20)
chi angles: 314.6,331.1
0.161Å--
A 127 HIS41.34-Favored (88.4%)
Pre-proline / -59.1,132.2
37.9% (t-80)
chi angles: 193.1,256.6
0.204Å--
A 128 PRO39.6-Favored (59.62%)
Proline / -54.6,144.6
39.5% (Cg_endo)
chi angles: 23.7
0.09Å--
A 129 GLY37.13-Favored (17.73%)
Glycine / 115.8,-176.2
----
A 130 HIS32.540.909Å
ND1 with A 184 LYS O
Favored (38.65%)
General case / -88.8,131.9
86.3% (t60)
chi angles: 181.8,71.6
0.216Å--
A 131 LEU25.720.928Å
CD1 with A 4 LEU HD23
Favored (31.6%)
General case / -154.0,158.1
3.8% (tp)
chi angles: 192.6,94
0.194Å--
A 132 LYS27.95-Favored (46.53%)
General case / -136.4,142.0
22% (mtmt)
chi angles: 291.6,196.8,263.9,210.7
0.131Å--
A 133 LEU19.250.61Å
HD22 with A 156 TYR CE2
Favored (42.35%)
General case / -119.5,117.4
0.2%
chi angles: 267.5,27.4
0.184Å-1 OUTLIER(S)
worst is O-C-N: 6.397 σ
A 134 PHE19.030.421Å
HB2 with A 7 ILE HG13
Favored (22.16%)
General case / -98.7,106.5
3.4% (m-85)
chi angles: 298.8,63
0.094Å--
A 135 VAL20.570.401Å
HG21 with A 182 TYR CE1
Favored (61.33%)
General case / -109.2,126.0
2.3% (t)
chi angles: 201.7
0.195Å--
A 136 THR19.58-Favored (40.47%)
General case / -92.1,123.4
59.3% (m)
chi angles: 304.1
0.074Å--
A 137 ARG20.020.534Å
HB2 with A 178 LYS HG2
Favored (20.08%)
General case / -96.7,104.8
13.6% (mmt180)
chi angles: 288.6,267.2,190.1,212.6
0.174Å--
A 138 ILE22.14-Favored (32.69%)
General case / -83.9,122.8
1.8% (mm)
chi angles: 305.4,263.9
0.106Å-1 OUTLIER(S)
worst is N-CA-C: -5.143 σ
A 139 MET30.570.586Å
SD with A 178 LYS HD3
Allowed (0.41%)
General case / -79.5,30.8
30.1% (mtp)
chi angles: 273.7,158.1,80.7
0.302Å-1 OUTLIER(S)
worst is CA-C-O: -4.503 σ
A 140 GLN26.53-Favored (7.25%)
General case / -148.7,179.5
3.2% (pt20)
chi angles: 30.4,175.2,313
0.36Å-1 OUTLIER(S)
worst is CA-C-N: 5.404 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 141 ASP30.45-Favored (38.57%)
General case / -97.9,138.0
80.7% (m-20)
chi angles: 285.4,176.6
0.14Å--
A 142 PHE25.750.405Å
HZ with A 175 ILE HD13
Favored (40.24%)
General case / -136.0,132.7
96.5% (m-85)
chi angles: 292.7,94.3
0.186Å--
A 143 GLU30.08-Favored (29.1%)
General case / -62.5,127.1
15.4% (tt0)
chi angles: 200,201.7,12.9
0.17Å--
A 144 SER23.67-Favored (12.09%)
General case / -134.9,174.8
0.8%
chi angles: 340.8
0.247Å--
A 145 ASP21.46-Favored (3.79%)
General case / -131.2,-9.4
48.6% (p-10)
chi angles: 65.6,171.3
0.093Å-1 OUTLIER(S)
worst is O-C-N: 5.106 σ
A 146 THR20.34-Favored (37.39%)
General case / -139.2,136.7
0.1%
chi angles: 98.9
0.238Å--
A 147 PHE21.720.722Å
HD2 with A 14 MET O
Favored (30.4%)
General case / -122.6,160.8
88.9% (m-85)
chi angles: 301.6,94.7
0.161Å--
A 148 PHE18.950.505Å
CD1 with A 8 VAL HG21
Favored (57.05%)
Pre-proline / -89.1,131.7
39.6% (t80)
chi angles: 191.5,65.8
0.101Å--
A 149 PRO22.01-Favored (29.21%)
Proline / -62.3,163.0
2.8% (Cg_exo)
chi angles: 354.1
0.058Å--
A 150 GLU32.77-Favored (35.06%)
General case / -75.7,152.2
12.4% (pt-20)
chi angles: 72.9,187.5,104.8
0.23Å--
A 151 ILE24.79-Favored (41.72%)
General case / -91.7,127.3
2.4% (mt)
chi angles: 320.6,194.5
0.132Å--
A 152 ASP25.28-Favored (17.1%)
General case / -87.9,104.7
15.9% (t0)
chi angles: 174.5,31.7
0.158Å--
A 153 LEU24.750.423Å
HD23 with A 153 LEU HA
Favored (62.53%)
General case / -71.8,-14.0
0.8%
chi angles: 276.8,215.2
0.215Å--
A 154 GLU29.4-Favored (43.4%)
General case / -82.7,-17.1
2.3% (mm-40)
chi angles: 315.6,251.4,41
0.183Å--
A 155 LYS27.32-Favored (4.36%)
General case / -110.2,-42.1
16.5% (mttt)
chi angles: 278.5,165.3,213.5,223.8
0.016Å--
A 156 TYR23.110.61Å
CE2 with A 133 LEU HD22
Favored (33.63%)
General case / -98.5,114.4
46.7% (m-85)
chi angles: 281.6,99.5
0.174Å--
A 157 LYS28.14-Favored (36.87%)
General case / -93.7,137.5
19.3% (mmtt)
chi angles: 301.3,259.3,158.9,189
0.26Å--
A 158 LEU21.64-Favored (35.93%)
General case / -83.7,125.7
3.6% (tp)
chi angles: 186.8,35.1
0.203Å--
A 159 LEU22.010.718Å
O with 212 HOH O
Favored (78.58%)
Pre-proline / -80.3,144.7
6.4% (mt)
chi angles: 305.8,203.7
0.373Å--
A 160 PRO24.4-Favored (44.81%)
Proline / -68.7,-18.6
30.9% (Cg_exo)
chi angles: 325.2
0.24Å-1 OUTLIER(S)
worst is C-N-CA: 5.632 σ
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 161 GLU28.29-Favored (5.92%)
General case / -171.9,170.1
3.5% (pt-20)
chi angles: 93.1,199.1,136
0.041Å--
A 162 TYR24.56-Allowed (1.84%)
Pre-proline / -165.2,128.3
27.9% (t80)
chi angles: 197.3,76.3
0.136Å--
A 163 PRO26.92-Favored (12.91%)
Proline / -54.8,121.1
19.2% (Cg_endo)
chi angles: 17.4
0.036Å--
A 164 GLY27.78-Favored (61%)
Glycine / 89.7,15.4
---1 OUTLIER(S)
worst is C-N-CA: 5.833 σ
A 165 VAL26.63-Favored (22.04%)
General case / -127.4,113.4
55.6% (t)
chi angles: 170.7
0.268Å--
A 166 LEU28.99-Favored (39.78%)
General case / -56.6,131.7
10.7% (mp)
chi angles: 273.2,66.5
0.034Å--
A 167 SER31.65-Favored (30.87%)
General case / -98.4,-4.2
24.8% (m)
chi angles: 285.5
0.15Å--
A 168 ASP30.750.859Å
O with A 170 GLN NE2
Favored (26.6%)
General case / -109.7,153.0
9.7% (p-10)
chi angles: 68.2,118.8
0.128Å--
A 169 VAL28.35-Favored (19.74%)
General case / -53.0,127.5
23.2% (t)
chi angles: 187.2
0.26Å--
A 170 GLN30.690.859Å
NE2 with A 168 ASP O
Favored (15.95%)
General case / -101.2,161.5
73.4% (mm-40)
chi angles: 305.5,312.3,295.6
0.135Å--
A 171 GLU34.070.671Å
HA with A 176 LYS HA
Favored (6.52%)
General case / -153.4,123.9
1.3% (tt0)
chi angles: 143.5,157.7,75.4
0.167Å--
A 172 GLU34.4-Favored (26.79%)
General case / -143.3,136.0
0.5%
chi angles: 140.4,190.3,56.4
0.205Å--
A 173 LYS31.53-Favored (10.68%)
General case / 61.4,22.7
85.5% (mttt)
chi angles: 309,187.2,180,183.6
0.153Å--
A 174 GLY30.38-Favored (83.45%)
Glycine / 81.6,13.3
----
A 175 ILE28.120.405Å
HD13 with A 142 PHE HZ
Favored (42.2%)
General case / -115.6,116.7
74.5% (mt)
chi angles: 290.3,164.5
0.112Å--
A 176 LYS32.260.671Å
HA with A 171 GLU HA
Favored (25.83%)
General case / -90.1,145.5
11.4% (mttm)
chi angles: 299.4,214.3,188.1,334.7
0.32Å--
A 177 TYR26.65-Favored (26.65%)
General case / -160.9,161.2
43.7% (p90)
chi angles: 59.4,96.3
0.086Å--
A 178 LYS23.440.586Å
HD3 with A 139 MET SD
Favored (52.17%)
General case / -137.3,152.3
0%
chi angles: 72.2,224,162.2,97.7
0.169Å--
A 179 PHE21.53-Favored (47.13%)
General case / -99.8,133.9
47.6% (m-85)
chi angles: 308.1,112.7
0.154Å--
A 180 GLU21.47-Favored (45.11%)
General case / -139.3,159.0
52.6% (mt-10)
chi angles: 311,179.5,147.4
0.11Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
A 181 VAL20.48-Favored (23.47%)
General case / -136.0,120.6
8% (t)
chi angles: 193.2
0.072Å--
A 182 TYR19.260.527Å
CD1 with A 182 TYR N
Favored (26.94%)
General case / -106.7,150.0
3.1% (m-85)
chi angles: 299.5,63
0.19Å--
A 183 GLU23.180.702Å
CG with A 130 HIS HE1
Favored (51.19%)
General case / -129.9,147.1
14% (tt0)
chi angles: 171.1,153.8,70.2
0.224Å--
A 184 LYS34.240.909Å
O with A 130 HIS ND1
Favored (40.77%)
General case / -138.2,162.4
43.6% (tttt)
chi angles: 172.1,202.2,198.7,187.3
0.048Å--
A 185 ASN36.160.705Å
N with A 184 LYS HG2
Allowed (0.11%)
General case / -177.7,112.6
35.9% (t-20)
chi angles: 197.3,3.6
0.178Å--
A 186 ASP42.130.519Å
CG with A 184 LYS HE2
-34.2% (p-10)
chi angles: 72.7,178.4
0.132Å-1 OUTLIER(S)
worst is CA-C-O: -7.071 σ
187 NDP28.670.684Å
H52A with 187 NDP H8A
-----
188 MTX28.920.53Å
CT with A 70 ARG HH22
---1 OUTLIER(S)
worst is CA--C: 39.11 σ
2 OUTLIER(S)
worst is N-CA-C: -32.548 σ
234 HOH46.85------
189 HOH32.36------
190 HOH42.11------
191 HOH32.66------
192 HOH26.64------
193 HOH28.17------
194 HOH20.050.522Å
O with A 55 LYS NZ
-----
195 HOH54.72------
196 HOH43.56------
197 HOH35.45------
198 HOH40.23------
199 HOH29.07------
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
200 HOH20.08------
201 HOH37.79------
202 HOH30.98------
203 HOH26.71------
204 HOH25.57------
205 HOH54.94------
206 HOH43.71------
207 HOH30.81------
208 HOH29.74------
209 HOH39.69------
210 HOH34.32------
211 HOH32.32------
212 HOH30.740.718Å
O with A 159 LEU O
-----
213 HOH45.05------
214 HOH39.97------
215 HOH47.45------
216 HOH42.98------
217 HOH32.59------
218 HOH35.65------
219 HOH27.66------
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 29.39Clashscore: 35.34Outliers: 0 of 184Outliers: 24 of 168Outliers: 19 of 173Outliers: 1 of 186Outliers: 30 of 186
220 HOH32.64------
221 HOH28.410.717Å
O with A 91 ARG HB3
-----
222 HOH36.69------
223 HOH30.55------
224 HOH43.7------
225 HOH30.21------
226 HOH29.64------
227 HOH43.14------
228 HOH37.87------
229 HOH43.65------
230 HOH38.02------
231 HOH40.83------
232 HOH25.46------
233 HOH33.14------