All-Atom Contacts |
Clashscore, all atoms: | 37.97 | 9th percentile* (N=1784, all resolutions) |
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
Protein Geometry |
Poor rotamers | 3.28% | Goal: <1% |
Ramachandran outliers | 0.00% | Goal: <0.2% | |
Ramachandran favored | 91.30% | Goal: >98% | |
Cβ deviations >0.25Å | 0 | Goal: 0 | |
MolProbity score^ | 2.96 | 24th percentile* (N=27675, 0Å - 99Å) | |
Residues with bad bonds: | 0.00% | Goal: 0% | |
Residues with bad angles: | 1.41% | Goal: <0.1% |
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# | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
Avg: 143.30 | Clashscore: 37.97 | Outliers: 0 of 69 | Poor rotamers: 2 of 61 | Outliers: 0 of 66 | Outliers: 0 of 71 | Outliers: 1 of 71 | ||
1 | HIS | 100.38 | - | - | 17.7% (p80) chi angles: 52.9,92.1 | 0.03Å | - | - |
2 | THR | 199.45 | - | Favored (6.09%) Pre-proline / -82.0,176.5 | 73.2% (p) chi angles: 63.5 | 0.093Å | - | - |
3 | PRO | 167.89 | - | Favored (62.91%) Proline / -72.3,151.1 | 82.9% (Cg_exo) chi angles: 331.8 | 0.087Å | - | - |
4 | THR | 202.54 | - | Favored (25.76%) Pre-proline / -82.4,167.8 | 12.8% (t) chi angles: 191 | 0.058Å | - | - |
5 | PRO | 175.84 | - | Favored (68.26%) Proline / -71.3,152.3 | 81.6% (Cg_exo) chi angles: 331.9 | 0.109Å | - | - |
6 | THR | 249.49 | - | Favored (63.79%) Pre-proline / -125.0,150.8 | 13.6% (t) chi angles: 186.5 | 0.08Å | - | - |
7 | PRO | 154.12 | - | Favored (30.17%) Proline / -78.1,164.7 | 77.2% (Cg_exo) chi angles: 333.3 | 0.077Å | - | - |
8 | ILE | 118.25 | 0.564Å CG2 with 54 THR CB | Favored (37.12%) General case / -77.9,126.5 | 47.4% (mm) chi angles: 299,299.6 | 0.087Å | - | - |
9 | CYS | 57.04 | - | Favored (24.4%) General case / -82.9,156.7 | 8.5% (m) chi angles: 315.8 | 0.118Å | - | - |
10 | LYS | 160.03 | - | Favored (47.6%) General case / -108.5,116.8 | 14% (mmmm) chi angles: 297.4,301.2,288.6,299.2 | 0.101Å | - | - |
11 | SER | 53.57 | - | Favored (48.33%) General case / -136.1,146.6 | 65.9% (m) chi angles: 298.5 | 0.123Å | - | - |
12 | ARG | 123.37 | - | Favored (36.65%) General case / -76.8,147.6 | 0% chi angles: 64.6,287.6,177,84.6 | 0.111Å | - | - |
13 | SER | 67.33 | - | Favored (26.43%) General case / -79.5,120.1 | 44.8% (t) chi angles: 180.8 | 0.051Å | - | - |
14 | HIS | 122.24 | - | Favored (82.85%) General case / -68.1,-37.0 | 83.8% (t60) chi angles: 181.2,76.3 | 0.093Å | - | - |
15 | GLU | 135.75 | - | Favored (89.09%) General case / -65.4,-37.4 | 5.7% (tp10) chi angles: 184.5,75.5,104.7 | 0.065Å | - | - |
16 | TYR | 200.38 | - | Favored (26.01%) General case / -72.6,123.7 | 3.1% (t80) chi angles: 209,103.1 | 0.11Å | - | - |
17 | LYS | 175.93 | - | Favored (6.69%) General case / -108.1,95.8 | 80.1% (mttt) chi angles: 300.2,162.3,187.2,171 | 0.138Å | - | - |
18 | GLY | 78.83 | - | Favored (16.34%) Glycine / 122.4,-162.5 | - | - | - | - |
19 | ARG | 139.71 | - | Favored (37.14%) General case / -81.1,137.3 | 16.3% (ptt180) chi angles: 59.4,173.5,176.8,135.1 | 0.101Å | - | - |
20 | CYS | 193.79 | - | Favored (14.75%) General case / -84.6,104.9 | 8.6% (p) chi angles: 50.9 | 0.072Å | - | - |
21 | ILE | 139.21 | 0.46Å CD1 with 21 ILE N | Favored (75.65%) General case / -70.3,-42.6 | 1.8% (mp) chi angles: 291.3,63.9 | 0.047Å | - | - |
22 | GLN | 126.32 | - | Favored (39.63%) General case / -125.5,158.9 | 12% (mm100) chi angles: 300.7,287.2,149.2 | 0.116Å | - | - |
23 | ASP | 72.03 | - | Favored (83.87%) General case / -68.3,-38.6 | 85.9% (m-20) chi angles: 290.4,173 | 0.09Å | - | - |
24 | MET | 60.08 | - | Favored (97.31%) General case / -61.3,-42.1 | 75% (mtm) chi angles: 287.8,181.9,283.1 | 0.091Å | - | - |
25 | ASP | 54.19 | - | Favored (99.43%) General case / -62.6,-42.3 | 89.1% (m-20) chi angles: 291.9,170.1 | 0.101Å | - | - |
26 | CYS | 77.84 | - | Favored (97.39%) General case / -64.6,-41.8 | 14.4% (t) chi angles: 169.8 | 0.048Å | - | - |
27 | ASN | 94.65 | 0.404Å OD1 with 31 VAL CG1 | Favored (89.53%) General case / -59.8,-46.3 | 20.5% (t-20) chi angles: 180.7,285 | 0.075Å | - | - |
28 | ALA | 54.36 | 0.459Å O with 33 GLU CB | Favored (83.3%) General case / -61.0,-48.5 | - | 0.086Å | - | - |
29 | ALA | 60.81 | - | Favored (82.75%) General case / -57.3,-43.8 | - | 0.082Å | - | - |
30 | CYS | 72.93 | - | Favored (23.16%) General case / -71.3,-53.2 | 24.8% (m) chi angles: 311.1 | 0.155Å | - | - |
31 | VAL | 166.9 | 0.491Å CG2 with 32 LYS N | Allowed (1.72%) General case / -64.6,-63.9 | 33.1% (m) chi angles: 300 | 0.114Å | - | - |
32 | LYS | 128.53 | 0.491Å N with 31 VAL CG2 | Allowed (0.65%) General case / -145.5,-8.4 | 85.8% (mttt) chi angles: 298.4,165.2,189,177.4 | 0.176Å | - | - |
33 | GLU | 223.66 | 0.459Å CB with 28 ALA O | Favored (79.87%) General case / -66.5,-34.2 | 5.5% (tm-20) chi angles: 193.5,283.3,121.9 | 0.136Å | - | - |
34 | SER | 170.64 | - | Allowed (0.06%) General case / -147.5,-101.2 | 47.6% (t) chi angles: 180 | 0.097Å | - | - |
35 | GLU | 155.2 | 0.553Å CG with 37 TYR CE2 | Allowed (1.23%) General case / -53.7,162.9 | 0.7% chi angles: 201.3,89.8,309 | 0.085Å | - | - |
36 | SER | 67.83 | - | Favored (9.74%) General case / -87.7,93.2 | 77.2% (p) chi angles: 58.5 | 0.073Å | - | - |
37 | TYR | 142.15 | 0.556Å CD1 with 55 LYS CB | Favored (46.41%) General case / -137.9,146.4 | 65.6% (m-85) chi angles: 293.1,113.6 | 0.169Å | - | - |
38 | THR | 131.85 | 0.461Å CG2 with 39 GLY N | Favored (70.28%) General case / -72.1,-42.3 | 12.8% (t) chi angles: 185.9 | 0.044Å | - | - |
39 | GLY | 58.16 | 0.461Å N with 38 THR CG2 | Favored (20.99%) Glycine / -159.5,-168.9 | - | - | - | - |
40 | GLY | 47.61 | - | Favored (29%) Glycine / -169.9,160.1 | - | - | - | - |
41 | PHE | 175.27 | - | Favored (5.67%) General case / -147.7,-178.2 | 61.1% (m-85) chi angles: 284.1,85.4 | 0.123Å | - | - |
42 | CYS | 151.14 | - | Favored (51.37%) General case / -97.9,129.5 | 63.6% (m) chi angles: 286.7 | 0.078Å | - | - |
43 | ASN | 95.53 | 0.567Å CB with 52 PHE CD2 | Favored (15.87%) General case / -66.0,121.1 | 2.4% (t30) chi angles: 185.2,98.9 | 0.16Å | - | - |
44 | GLY | 59.79 | - | Allowed (0.48%) Glycine / 75.6,106.6 | - | - | - | 1 OUTLIER(S) worst is N-CA-C: -4.604 &sigma |
45 | ARG | 134.82 | 0.474Å CB with 46 PRO CD | Favored (47.24%) Pre-proline / -62.1,-40.6 | 24.5% (tpt85) chi angles: 197.9,75.1,194.3,91.8 | 0.088Å | - | - |
46 | PRO | 178.91 | 0.474Å CD with 45 ARG CB | Favored (20.34%) Proline / -65.8,-42.0 | 84.2% (Cg_exo) chi angles: 330.3 | 0.24Å | - | - |
47 | PRO | 111.53 | - | Favored (14.11%) Proline / -66.0,-44.5 | 82.9% (Cg_exo) chi angles: 330.8 | 0.191Å | - | - |
48 | PHE | 99.34 | 0.433Å CE1 with 45 ARG NH1 | Favored (2.59%) General case / 64.5,5.7 | 96.5% (m-85) chi angles: 292.7,97 | 0.15Å | - | - |
49 | LYS | 191.54 | - | Favored (20.16%) General case / -75.9,-50.8 | 63.6% (mmtt) chi angles: 303.1,308.3,166.7,192.4 | 0.052Å | - | - |
50 | GLN | 113.84 | - | Favored (30.83%) General case / -92.0,141.7 | 24.6% (mp0) chi angles: 293.8,75.8,20.3 | 0.105Å | - | - |
51 | CYS | 88.25 | - | Favored (20.09%) General case / -99.9,105.0 | 2.9% (t) chi angles: 162.5 | 0.085Å | - | - |
52 | PHE | 180.29 | 0.567Å CD2 with 43 ASN CB | Favored (45.55%) General case / -98.2,120.6 | 20.4% (m-85) chi angles: 274,95.5 | 0.137Å | - | - |
53 | CYS | 72.43 | - | Favored (21.27%) General case / -98.3,150.9 | 60.9% (m) chi angles: 304 | 0.136Å | - | - |
54 | THR | 50.97 | 0.564Å CB with 8 ILE CG2 | Favored (59.38%) General case / -118.1,135.1 | 57.9% (p) chi angles: 62.5 | 0.087Å | - | - |
55 | LYS | 137.63 | 0.556Å CB with 37 TYR CD1 | Favored (59.79%) Pre-proline / -134.9,159.1 | 22.3% (pttm) chi angles: 55.1,171.2,179.7,298.8 | 0.07Å | - | - |
56 | PRO | 229.31 | - | Favored (61.84%) Proline / -65.6,-24.7 | 71.4% (Cg_exo) chi angles: 332.6 | 0.128Å | - | - |
57 | CYS | 122.96 | - | Favored (25.4%) General case / 54.9,40.5 | 83.4% (m) chi angles: 300.1 | 0.04Å | - | - |
58 | LYS | 255.68 | - | Favored (40.24%) General case / -104.5,139.2 | 28.3% (mmmt) chi angles: 287.4,299.3,299.5,171.5 | 0.127Å | - | - |
59 | ARG | 272.76 | - | Favored (21.37%) General case / -80.5,166.3 | 76.2% (mtp85) chi angles: 286.4,180.9,60.3,87.2 | 0.1Å | - | - |
60 | GLU | 242.5 | - | Favored (15.63%) General case / -69.9,166.4 | 57.9% (mp0) chi angles: 295.1,77.5,9.3 | 0.092Å | - | - |
61 | ARG | 301.07 | - | Favored (11.05%) General case / 61.2,45.2 | 89.9% (mtm180) chi angles: 293.9,172.4,293.5,166.9 | 0.075Å | - | - |
62 | ALA | 234.61 | - | Favored (43.31%) General case / -70.9,150.8 | - | 0.072Å | - | - |
63 | ALA | 228.41 | - | Favored (25.22%) General case / -79.8,161.5 | - | 0.083Å | - | - |
64 | ALA | 213.85 | - | Favored (28.39%) General case / -73.4,160.3 | - | 0.089Å | - | - |
65 | THR | 232.41 | - | Allowed (1.67%) General case / -80.6,-167.6 | 64.3% (p) chi angles: 62.2 | 0.072Å | - | - |
66 | LEU | 210.13 | - | Favored (47.44%) General case / -63.1,144.6 | 65.8% (mt) chi angles: 293.2,182.9 | 0.086Å | - | - |
67 | ARG | 329.84 | - | Favored (47.16%) General case / -71.0,146.0 | 15% (tpp180) chi angles: 195.5,73.8,45.3,184.3 | 0.104Å | - | - |
68 | TRP | 284.11 | 0.402Å CD1 with 69 PRO O | Favored (86.55%) Pre-proline / -77.7,140.3 | 74% (t-105) chi angles: 177,257.5 | 0.063Å | - | - |
69 | PRO | 85.97 | 0.402Å O with 68 TRP CD1 | Favored (49.01%) Proline / -75.5,155.3 | 8.4% (Cg_endo) chi angles: 10.4 | 0.158Å | - | - |
70 | GLY | 41.74 | - | Favored (15.5%) Glycine / -144.2,-171.4 | - | - | - | - |
71 | LEU | 66.48 | 0.462Å C with 71 LEU CD2 | - | 3.3% (tt) chi angles: 188.3,179.7 | 0.066Å | - | - |