All-Atom Contacts |
Clashscore, all atoms: | 41.59 | 7th percentile* (N=1784, all resolutions) |
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
Protein Geometry |
Poor rotamers | 4.92% | Goal: <1% |
Ramachandran outliers | 4.35% | Goal: <0.2% | |
Ramachandran favored | 89.86% | Goal: >98% | |
Cβ deviations >0.25Å | 0 | Goal: 0 | |
MolProbity score^ | 3.18 | 17th percentile* (N=27675, 0Å - 99Å) | |
Residues with bad bonds: | 0.00% | Goal: 0% | |
Residues with bad angles: | 2.82% | Goal: <0.1% |
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# | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
Avg: 144.62 | Clashscore: 41.59 | Outliers: 3 of 69 | Poor rotamers: 3 of 61 | Outliers: 0 of 66 | Outliers: 0 of 71 | Outliers: 2 of 71 | ||
1 | HIS | 97.36 | - | - | 55.8% (t60) chi angles: 191.1,80.1 | 0.082Å | - | - |
2 | THR | 221.06 | - | Favored (98.02%) Pre-proline / -70.6,144.2 | 15.3% (t) chi angles: 187.5 | 0.074Å | - | - |
3 | PRO | 104 | - | Favored (40.79%) Proline / -77.0,159.6 | 9.2% (Cg_endo) chi angles: 12.4 | 0.121Å | - | - |
4 | THR | 236.31 | - | Favored (42.3%) Pre-proline / -114.3,155.9 | 15.3% (t) chi angles: 187.8 | 0.079Å | - | - |
5 | PRO | 175.31 | - | Favored (54.47%) Proline / -74.2,153.5 | 77.6% (Cg_exo) chi angles: 333.4 | 0.107Å | - | - |
6 | THR | 149 | - | Favored (53.27%) Pre-proline / -110.5,114.3 | 85.7% (m) chi angles: 301.6 | 0.093Å | - | - |
7 | PRO | 188.35 | - | Favored (72.62%) Proline / -57.9,-24.9 | 73.4% (Cg_endo) chi angles: 28.9 | 0.067Å | - | - |
8 | ILE | 74.18 | - | Favored (44.05%) General case / -102.1,118.2 | 62.6% (mt) chi angles: 302.8,165.3 | 0.099Å | - | - |
9 | CYS | 40.15 | 0.43Å N with 57 CYS SG | Favored (35.5%) General case / -109.9,145.2 | 84% (m) chi angles: 292.5 | 0.147Å | - | - |
10 | LYS | 131.7 | - | Favored (44.28%) General case / -104.8,117.0 | 29.6% (mmtp) chi angles: 296,297,173.9,46 | 0.129Å | - | - |
11 | SER | 51 | - | Favored (40.9%) General case / -140.6,143.3 | 66.6% (m) chi angles: 298.4 | 0.102Å | - | - |
12 | ARG | 125.35 | 0.478Å CD with 12 ARG N | Favored (41.67%) General case / -74.1,148.1 | 0% chi angles: 66,313.6,300.3,274.1 | 0.121Å | - | - |
13 | SER | 120.92 | - | Favored (34.34%) General case / -79.3,124.6 | 80.1% (p) chi angles: 69.9 | 0.099Å | - | - |
14 | HIS | 94.38 | - | Favored (86.25%) General case / -67.2,-37.8 | 30.7% (t-80) chi angles: 173.6,277.3 | 0.101Å | - | - |
15 | GLU | 107.21 | - | Favored (86.51%) General case / -65.9,-36.7 | 78.1% (mm-40) chi angles: 290,298,133.1 | 0.076Å | - | - |
16 | TYR | 161.41 | 0.568Å CE2 with 20 CYS CA | Favored (29.85%) General case / -84.3,120.4 | 19.8% (t80) chi angles: 198.4,67.3 | 0.016Å | - | - |
17 | LYS | 237.01 | - | Favored (12.68%) General case / -108.7,101.8 | 49% (tptt) chi angles: 189.9,73.2,169.2,185.6 | 0.126Å | - | - |
18 | GLY | 80.85 | - | Favored (18.91%) Glycine / 128.8,-165.1 | - | - | - | - |
19 | ARG | 180.29 | - | Favored (21.77%) General case / -77.0,118.7 | 15.7% (ptm180) chi angles: 59.3,191,291.6,167.2 | 0.086Å | - | - |
20 | CYS | 266.95 | 0.568Å CA with 16 TYR CE2 | Favored (62.11%) General case / -73.8,-25.7 | 28.3% (p) chi angles: 66.5 | 0.135Å | - | - |
21 | ILE | 320.67 | 0.479Å CD1 with 48 PHE CB | OUTLIER (0%) General case / 3.3,85.6 | 37.5% (mm) chi angles: 308.6,300 | 0.133Å | - | - |
22 | GLN | 197.24 | 0.422Å CB with 21 ILE O | OUTLIER (0%) General case / 130.5,130.8 | 30.5% (tp60) chi angles: 183,83.1,77.3 | 0.143Å | - | - |
23 | ASP | 71.08 | - | Favored (77.68%) General case / -68.6,-34.4 | 27.2% (m-20) chi angles: 288.5,110.2 | 0.07Å | - | - |
24 | MET | 114.37 | - | Favored (88.96%) General case / -59.8,-46.5 | 26.3% (ttt) chi angles: 181.4,180.8,183.1 | 0.113Å | - | - |
25 | ASP | 127.58 | 0.417Å OD2 with 16 TYR CZ | Favored (93.08%) General case / -65.7,-39.4 | 9.2% (p-10) chi angles: 56.3,113.1 | 0.098Å | - | - |
26 | CYS | 82.46 | - | Favored (99.44%) General case / -63.4,-41.1 | 11.4% (t) chi angles: 168.4 | 0.055Å | - | - |
27 | ASN | 93.88 | - | Favored (90.4%) General case / -59.3,-45.4 | 30.8% (t-20) chi angles: 195.8,321.3 | 0.104Å | - | - |
28 | ALA | 62.34 | 0.51Å CB with 33 GLU CG | Favored (80.83%) General case / -61.3,-49.1 | - | 0.097Å | - | - |
29 | ALA | 59.44 | - | Favored (92.64%) General case / -59.7,-44.1 | - | 0.07Å | - | - |
30 | CYS | 89 | - | Allowed (0.23%) General case / -65.7,-73.3 | 39.5% (m) chi angles: 307.6 | 0.123Å | - | - |
31 | VAL | 160.74 | 0.485Å CG1 with 32 LYS N | Allowed (0.58%) General case / -78.2,-71.6 | 6% (p) chi angles: 54.9 | 0.132Å | - | - |
32 | LYS | 68.7 | 0.485Å N with 31 VAL CG1 | Favored (70.36%) General case / -71.8,-43.0 | 6.8% (mtmp?) chi angles: 296.7,177.9,316.1,82.7 | 0.098Å | - | - |
33 | GLU | 186.39 | 0.51Å CG with 28 ALA CB | Favored (68.25%) General case / -66.0,-50.7 | 34% (mm-40) chi angles: 292.9,277.6,132 | 0.161Å | - | - |
34 | SER | 179.33 | - | Allowed (0.07%) General case / -144.1,-101.2 | 71.3% (m) chi angles: 295.7 | 0.086Å | - | 1 OUTLIER(S) worst is C-N-CA: -4.469 &sigma |
35 | GLU | 169.12 | 0.497Å CG with 37 TYR CD1 | Allowed (0.95%) General case / -48.9,155.4 | 3.6% (pm0) chi angles: 40.2,269.7,7.3 | 0.129Å | - | - |
36 | SER | 114.36 | - | Favored (8.36%) General case / -81.7,97.7 | 69.2% (m) chi angles: 296 | 0.083Å | - | - |
37 | TYR | 161.75 | 0.497Å CD1 with 35 GLU CG | Favored (46.3%) General case / -138.4,147.1 | 76.7% (m-85) chi angles: 290,82.1 | 0.084Å | - | - |
38 | THR | 74.84 | 0.421Å O with 31 VAL CB | Favored (70.93%) General case / -70.8,-44.7 | 96.4% (m) chi angles: 299.6 | 0.093Å | - | - |
39 | GLY | 56.2 | - | Favored (19.42%) Glycine / -158.1,-168.2 | - | - | - | - |
40 | GLY | 47.92 | - | Favored (22.65%) Glycine / -167.0,155.3 | - | - | - | - |
41 | PHE | 173.41 | - | Favored (46.28%) General case / -139.4,148.6 | 82.9% (m-85) chi angles: 290.1,85 | 0.118Å | - | - |
42 | CYS | 114.15 | 0.444Å CB with 48 PHE CD1 | Favored (15.9%) General case / -74.7,116.3 | 6% (m) chi angles: 274.4 | 0.155Å | - | - |
43 | ASN | 107.56 | 0.47Å CB with 46 PRO CG | Favored (4.91%) General case / -62.5,114.8 | 77.7% (m-20) chi angles: 284.5,353.8 | 0.112Å | - | - |
44 | GLY | 146.09 | 0.418Å O with 45 ARG CB | Favored (40.66%) Glycine / -79.6,153.4 | - | - | - | 1 OUTLIER(S) worst is N-CA-C: -4.616 &sigma |
45 | ARG | 347.66 | 0.418Å CB with 44 GLY O | OUTLIER (0%) Pre-proline / 87.5,-38.2 | 8.3% (tpp180) chi angles: 167.7,55.8,85.8,158.4 | 0.105Å | - | - |
46 | PRO | 267.78 | 0.47Å CG with 43 ASN CB | Favored (9.8%) Proline / -79.9,177.4 | 65% (Cg_exo) chi angles: 327.5 | 0.069Å | - | - |
47 | PRO | 120.01 | - | Favored (3.95%) Proline / -70.6,7.3 | 76.2% (Cg_exo) chi angles: 332.2 | 0.088Å | - | - |
48 | PHE | 92.01 | 0.479Å CB with 21 ILE CD1 | Favored (4.12%) General case / 73.6,13.8 | 55.5% (m-85) chi angles: 283.5,98.6 | 0.085Å | - | - |
49 | LYS | 139.89 | - | Favored (53.86%) General case / -74.2,-45.9 | 47.9% (mttp) chi angles: 290.5,164.7,175.9,55.6 | 0.049Å | - | - |
50 | GLN | 118.58 | - | Favored (38.02%) General case / -87.4,130.0 | 0.8% chi angles: 296.6,92.1,255 | 0.115Å | - | - |
51 | CYS | 89.57 | - | Favored (18.72%) General case / -95.5,103.8 | 4.6% (t) chi angles: 164.1 | 0.066Å | - | - |
52 | PHE | 129.32 | 0.442Å CD1 with 43 ASN ND2 | Favored (50.08%) General case / -100.2,121.9 | 20.7% (m-85) chi angles: 274.4,77.5 | 0.157Å | - | - |
53 | CYS | 71.58 | - | Favored (20.67%) General case / -100.7,153.5 | 59.7% (m) chi angles: 304.6 | 0.143Å | - | - |
54 | THR | 51.24 | - | Favored (58.43%) General case / -118.8,136.2 | 68% (p) chi angles: 62 | 0.08Å | - | - |
55 | LYS | 134.21 | 0.459Å CB with 56 PRO CD | Favored (4.51%) Pre-proline / -120.7,173.7 | 17.7% (ptpt) chi angles: 67.8,163.5,60.9,188 | 0.113Å | - | - |
56 | PRO | 154.92 | 0.459Å CD with 55 LYS CB | Favored (23.09%) Proline / -66.6,-9.2 | 6.8% (Cg_endo) chi angles: 9.4 | 0.198Å | - | - |
57 | CYS | 111.82 | 0.43Å SG with 9 CYS N | Favored (12.46%) General case / 56.6,50.2 | 61.6% (m) chi angles: 303.6 | 0.096Å | - | - |
58 | LYS | 204.24 | - | Favored (26.05%) General case / -78.5,161.3 | 7.1% (mtmp?) chi angles: 302.6,168.7,304.7,75.6 | 0.165Å | - | - |
59 | ARG | 237.48 | - | Favored (36.4%) General case / -76.8,147.8 | 95.1% (mtt180) chi angles: 284.8,188.8,172.4,175.8 | 0.09Å | - | - |
60 | GLU | 222.86 | - | Favored (30.07%) General case / -78.1,155.2 | 52.2% (mt-10) chi angles: 294.9,178.3,57 | 0.065Å | - | - |
61 | ARG | 248.17 | - | Favored (34.25%) General case / -78.6,146.4 | 77.5% (ttt180) chi angles: 182.5,175.1,179.7,171.8 | 0.091Å | - | - |
62 | ALA | 64.87 | - | Favored (98.73%) General case / -64.0,-41.0 | - | 0.108Å | - | - |
63 | ALA | 209.8 | - | Favored (16.5%) General case / -59.6,152.0 | - | 0.082Å | - | - |
64 | ALA | 242.15 | - | Favored (48.8%) General case / -110.9,139.4 | - | 0.088Å | - | - |
65 | THR | 143.97 | - | Favored (91.24%) General case / -65.7,-43.5 | 71% (p) chi angles: 64 | 0.113Å | - | - |
66 | LEU | 237.63 | 0.476Å CD2 with 67 ARG N | Favored (51.54%) General case / -65.5,135.2 | 3.7% (tt) chi angles: 190.1,178.8 | 0.03Å | - | - |
67 | ARG | 248.08 | 0.476Å N with 66 LEU CD2 | Favored (56.06%) General case / -102.1,129.5 | 7.9% (mtp180) chi angles: 303.1,183.4,108.9,163.3 | 0.151Å | - | - |
68 | TRP | 287.55 | - | Favored (95.17%) Pre-proline / -72.4,134.9 | 0.2% chi angles: 55.7,325.6 | 0.131Å | - | - |
69 | PRO | 150.57 | - | Favored (32.39%) Proline / -51.1,-46.8 | 87.8% (Cg_endo) chi angles: 30.1 | 0.05Å | - | - |
70 | GLY | 23.86 | - | Favored (66.24%) Glycine / 66.5,19.3 | - | - | - | - |
71 | LEU | 96.62 | 0.454Å CD1 with 71 LEU C | - | 3.1% (tm?) chi angles: 186.2,291.3 | 0.087Å | - | - |