All-Atom Contacts |
Clashscore, all atoms: | 57.87 | 2nd 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 | 4.35% | Goal: <0.2% | |
Ramachandran favored | 86.96% | Goal: >98% | |
Cβ deviations >0.25Å | 3 | Goal: 0 | |
MolProbity score^ | 3.25 | 15th percentile* (N=27675, 0Å - 99Å) | |
Residues with bad bonds: | 0.00% | Goal: 0% | |
Residues with bad angles: | 8.45% | Goal: <0.1% |
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# | Res | High B | Clash > 0.4Å | Ramachandran | Rotamer | Cβ deviation | Bond lengths. | Bond angles. |
Avg: 0.00 | Clashscore: 57.87 | Outliers: 3 of 69 | Poor rotamers: 2 of 61 | Outliers: 3 of 66 | Outliers: 0 of 71 | Outliers: 6 of 71 | ||
1 | HIS | 0 | - | - | 70.2% (t60) chi angles: 182.3,85.1 | 0.058Å | - | - |
2 | THR | 0 | - | Favored (10.64%) Pre-proline / -142.3,169.7 | 10% (t) chi angles: 192.7 | 0.068Å | - | - |
3 | PRO | 0 | - | Favored (51.71%) Proline / -74.9,155.6 | 6.8% (Cg_endo) chi angles: 9.4 | 0.155Å | - | - |
4 | THR | 0 | - | Favored (9.89%) Pre-proline / -141.8,170.2 | 12.7% (t) chi angles: 191 | 0.083Å | - | - |
5 | PRO | 0 | - | Favored (50.68%) Proline / -73.5,160.7 | 5.9% (Cg_endo) chi angles: 8.4 | 0.136Å | - | - |
6 | THR | 0 | 0.481Å CG2 with 7 PRO CD | Allowed (0.52%) Pre-proline / -146.8,-175.5 | 1.1% (t) chi angles: 207.9 | 0.269Å | - | - |
7 | PRO | 0 | 0.481Å CD with 6 THR CG2 | Favored (96.49%) Proline / -59.4,-29.9 | 33.7% (Cg_endo) chi angles: 37 | 0.135Å | - | 1 OUTLIER(S) worst is N-CA-C: 4.266 &sigma |
8 | ILE | 0 | - | Favored (12.92%) General case / -61.5,121.2 | 49.2% (mm) chi angles: 303.9,301.2 | 0.071Å | - | - |
9 | CYS | 0 | - | Favored (63.06%) General case / -121.4,127.7 | 70.1% (m) chi angles: 288.5 | 0.089Å | - | - |
10 | LYS | 0 | 0.575Å CB with 52 PHE CE2 | Favored (38.93%) General case / -104.3,115.3 | 43.8% (mmtm) chi angles: 293.4,300,192.4,306.4 | 0.11Å | - | - |
11 | SER | 0 | - | Favored (32.05%) General case / -143.6,140.7 | 47% (t) chi angles: 180.3 | 0.086Å | - | - |
12 | ARG | 0 | - | Favored (36.16%) General case / -77.0,147.4 | 7.4% (ptp85) chi angles: 55.2,187.2,48.1,87.5 | 0.105Å | - | - |
13 | SER | 0 | - | Favored (23.11%) General case / -79.8,117.8 | 37.1% (t) chi angles: 182.2 | 0.061Å | - | - |
14 | HIS | 0 | - | Favored (73.04%) General case / -69.6,-32.1 | 6.6% (p80) chi angles: 44.5,98.4 | 0.053Å | - | - |
15 | GLU | 0 | 0.404Å OE2 with 35 GLU CG | Favored (82.44%) General case / -65.8,-35.1 | 79.3% (tt0) chi angles: 181.2,178.2,163.4 | 0.082Å | - | - |
16 | TYR | 0 | 0.56Å CE2 with 20 CYS CA | Favored (25.09%) General case / -77.8,120.2 | 21.1% (t80) chi angles: 198.2,68.5 | 0.037Å | - | - |
17 | LYS | 0 | - | Favored (8.45%) General case / -103.4,96.1 | 56.6% (tptt) chi angles: 177.7,71,178.9,180.8 | 0.106Å | - | - |
18 | GLY | 0 | - | Favored (19.11%) Glycine / 128.4,-162.6 | - | - | - | - |
19 | ARG | 0 | 0.465Å N with 19 ARG CD | Favored (44.54%) General case / -73.5,131.8 | 0% chi angles: 317.1,76.3,200.6,138.7 | 0.134Å | - | - |
20 | CYS | 0 | 0.56Å CA with 16 TYR CE2 | Favored (2.25%) General case / -94.2,55.3 | 4.3% (p) chi angles: 45.7 | 0.143Å | - | - |
21 | ILE | 0 | - | Favored (3%) General case / -41.2,-41.9 | 47.9% (mm) chi angles: 303.9,298.9 | 0.161Å | - | - |
22 | GLN | 0 | 0.43Å CG with 23 ASP N | Favored (31.37%) General case / -122.7,160.4 | 8.2% (tt0) chi angles: 180.2,180.1,178.5 | 0.1Å | - | - |
23 | ASP | 0 | 0.43Å N with 22 GLN CG | Favored (84.18%) General case / -67.2,-36.5 | 21.3% (m-20) chi angles: 285.7,14.9 | 0.091Å | - | - |
24 | MET | 0 | - | Favored (95.17%) General case / -61.1,-41.0 | 86.3% (mtp) chi angles: 288.2,187.7,70.4 | 0.103Å | - | - |
25 | ASP | 0 | - | Favored (98.56%) General case / -62.7,-43.6 | 52.9% (m-20) chi angles: 292.4,119.1 | 0.064Å | - | - |
26 | CYS | 0 | - | Favored (93.63%) General case / -63.9,-38.6 | 34.8% (t) chi angles: 173.6 | 0.032Å | - | - |
27 | ASN | 0 | 0.412Å O with 33 GLU CG | Favored (84.85%) General case / -57.8,-45.6 | 0.4% chi angles: 193.4,172.6 | 0.077Å | - | - |
28 | ALA | 0 | 0.467Å O with 33 GLU CB | Favored (76.85%) General case / -62.3,-33.4 | - | 0.085Å | - | - |
29 | ALA | 0 | - | Favored (89.26%) General case / -67.0,-41.6 | - | 0.07Å | - | - |
30 | CYS | 0 | 0.514Å SG with 40 GLY CA | Allowed (1.61%) General case / -67.6,-64.0 | 35.3% (m) chi angles: 308.6 | 0.102Å | - | 1 OUTLIER(S) worst is N-CA-C: 4.359 &sigma |
31 | VAL | 0 | 0.594Å CG1 with 33 GLU CG | Favored (82.95%) General case / -63.4,-48.0 | 8.9% (p) chi angles: 73.2 | 0.192Å | - | - |
32 | LYS | 0 | 0.479Å N with 31 VAL CG1 | OUTLIER (0%) General case / 152.7,17.4 | 46.6% (tptt) chi angles: 196.1,64.2,181.7,172.9 | 0.149Å | - | 1 OUTLIER(S) worst is N-CA-C: -7.883 &sigma |
33 | GLU | 0 | 0.594Å CG with 31 VAL CG1 | Favored (98.65%) General case / -62.4,-41.5 | 26.2% (mm-40) chi angles: 300.3,279.2,118.6 | 0.183Å | - | 1 OUTLIER(S) worst is N-CA-C: -6.646 &sigma |
34 | SER | 0 | - | Allowed (0.35%) General case / -144.7,-35.1 | 15.1% (p) chi angles: 48.9 | 0.134Å | - | - |
35 | GLU | 0 | 0.432Å O with 37 TYR CD1 | Allowed (1.42%) General case / -140.4,81.5 | 11.7% (mm-40) chi angles: 277.8,267.8,165.7 | 0.126Å | - | - |
36 | SER | 0 | - | Favored (2.33%) General case / 40.0,57.7 | 34.8% (t) chi angles: 182.9 | 0.097Å | - | - |
37 | TYR | 0 | 0.514Å CE2 with 55 LYS CE | Favored (7.42%) General case / -138.5,178.7 | 63.4% (m-85) chi angles: 284.2,91 | 0.161Å | - | - |
38 | THR | 0 | 0.47Å CG2 with 39 GLY N | Favored (14.83%) General case / -87.0,-42.6 | 15.2% (t) chi angles: 187.9 | 0.072Å | - | - |
39 | GLY | 0 | 0.47Å N with 38 THR CG2 | Favored (25.13%) Glycine / -167.9,-167.1 | - | - | - | - |
40 | GLY | 0 | 0.514Å CA with 30 CYS SG | Favored (28.19%) Glycine / -163.2,157.7 | - | - | - | - |
41 | PHE | 0 | - | Favored (41.31%) General case / -121.8,151.4 | 20.7% (m-85) chi angles: 311.6,83 | 0.361Å | - | - |
42 | CYS | 0 | 0.402Å SG with 20 CYS O | Favored (12.53%) General case / -93.7,98.5 | 42.5% (t) chi angles: 177 | 0.136Å | - | - |
43 | ASN | 0 | - | Allowed (0.51%) General case / -55.2,106.0 | 51.8% (t30) chi angles: 184.1,58 | 0.13Å | - | - |
44 | GLY | 0 | 0.586Å CA with 48 PHE CG | Favored (4.85%) Glycine / -138.4,128.7 | - | - | - | - |
45 | ARG | 0 | 0.498Å N with 48 PHE CD2 | OUTLIER (0%) Pre-proline / 81.5,-32.5 | 94% (mtt180) chi angles: 284.6,166.7,179.2,160.3 | 0.234Å | - | - |
46 | PRO | 0 | 0.466Å O with 44 GLY CA | Favored (15.87%) Proline / -73.0,130.2 | 40.5% (Cg_exo) chi angles: 325.9 | 0.15Å | - | 2 OUTLIER(S) worst is N-CA-C: -11.259 &sigma |
47 | PRO | 0 | - | OUTLIER (0.05%) Proline / -43.2,-5.5 | 1% chi angles: 3.8 | 0.472Å | - | 2 OUTLIER(S) worst is N-CA-C: 7.034 &sigma |
48 | PHE | 0 | 0.586Å CG with 44 GLY CA | Allowed (0.91%) General case / 79.8,-8.4 | 17.1% (m-85) chi angles: 273.3,105.1 | 0.245Å | - | - |
49 | LYS | 0 | 0.41Å N with 49 LYS CD | Favored (56.09%) General case / -77.0,-39.2 | 1.8% (mptt) chi angles: 278.9,56.2,208.8,159.4 | 0.131Å | - | - |
50 | GLN | 0 | - | Favored (40.76%) General case / -81.5,130.3 | 23% (mm100) chi angles: 300,299.3,141.9 | 0.085Å | - | - |
51 | CYS | 0 | - | Favored (25.19%) General case / -91.5,111.3 | 2.4% (t) chi angles: 161.9 | 0.074Å | - | - |
52 | PHE | 0 | 0.575Å CE2 with 10 LYS CB | Favored (28.56%) General case / -103.0,110.8 | 3.7% (t80) chi angles: 207.1,55.3 | 0.138Å | - | - |
53 | CYS | 0 | - | Favored (24.87%) General case / -102.1,149.0 | 72.4% (m) chi angles: 298 | 0.109Å | - | - |
54 | THR | 0 | - | Favored (51.18%) General case / -115.9,140.9 | 81.1% (p) chi angles: 61.2 | 0.083Å | - | - |
55 | LYS | 0 | 0.514Å CE with 37 TYR CE2 | Favored (48.02%) Pre-proline / -143.0,148.0 | 14.8% (ptpt) chi angles: 63.2,170.8,90,177.5 | 0.086Å | - | - |
56 | PRO | 0 | - | Favored (41.62%) Proline / -75.1,146.6 | 75.9% (Cg_exo) chi angles: 333.2 | 0.115Å | - | - |
57 | CYS | 0 | - | Favored (40.21%) General case / -141.8,158.9 | 58.3% (m) chi angles: 305.2 | 0.094Å | - | - |
58 | LYS | 0 | - | Favored (33.49%) General case / -151.2,158.8 | 79.8% (tttt) chi angles: 189.4,165.1,179.5,179.9 | 0.087Å | - | - |
59 | ARG | 0 | - | Favored (29.1%) General case / -157.9,158.8 | 74.2% (ttt180) chi angles: 183,180.1,179.8,169.6 | 0.089Å | - | - |
60 | GLU | 0 | - | Favored (25.55%) General case / -161.5,161.7 | 88.3% (tt0) chi angles: 185.5,178.1,178.4 | 0.078Å | - | - |
61 | ARG | 0 | - | Favored (25.55%) General case / -159.4,166.2 | 71.7% (ttt180) chi angles: 186.7,180,179.8,168 | 0.077Å | - | - |
62 | ALA | 0 | - | Favored (16.4%) General case / -165.7,164.8 | - | 0.098Å | - | - |
63 | ALA | 0 | - | Favored (13.91%) General case / -167.2,163.4 | - | 0.101Å | - | - |
64 | ALA | 0 | - | Favored (11.57%) General case / -167.9,159.0 | - | 0.097Å | - | - |
65 | THR | 0 | - | Favored (30.8%) General case / -154.6,163.9 | 15% (t) chi angles: 188.5 | 0.084Å | - | - |
66 | LEU | 0 | 0.503Å CD2 with 67 ARG N | Favored (13.15%) General case / -161.4,148.0 | 1.1% (tt) chi angles: 200.5,188.9 | 0.099Å | - | - |
67 | ARG | 0 | 0.503Å N with 66 LEU CD2 | Favored (37.88%) General case / -144.7,156.0 | 73.7% (ttt180) chi angles: 180,180.9,179.7,169.8 | 0.111Å | - | - |
68 | TRP | 0 | 0.471Å CG with 69 PRO CD | Favored (18.48%) Pre-proline / -151.2,163.2 | 71.7% (t-105) chi angles: 180,261.7 | 0.082Å | - | - |
69 | PRO | 0 | 0.471Å CD with 68 TRP CG | Favored (29.77%) Proline / -78.9,163.7 | 9.6% (Cg_endo) chi angles: 12.9 | 0.152Å | - | - |
70 | GLY | 0 | - | Favored (38.44%) Glycine / -162.6,165.7 | - | - | - | - |
71 | LEU | 0 | 0.43Å OXT with 71 LEU CD2 | - | 2.3% (tt) chi angles: 200.3,182.5 | 0.114Å | - | - |