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 rotamers4.92% Goal: <1%
Ramachandran outliers4.35% Goal: <0.2%
Ramachandran favored89.86% Goal: >98%
Cβ deviations >0.25Å0 Goal: 0
MolProbity score^3.1817th percentile* (N=27675, 0Å - 99Å)
Residues with bad bonds:0.00% Goal: 0%
Residues with bad angles:2.82% Goal: <0.1%
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst.
^ MolProbity score is defined as the following: 0.42574*log(1+clashscore) + 0.32996*log(1+max(0,pctRotOut-1)) + 0.24979*log(1+max(0,100-pctRamaFavored-2)) + 0.5

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#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 144.62Clashscore: 41.59Outliers: 3 of 69Poor rotamers: 3 of 61Outliers: 0 of 66Outliers: 0 of 71Outliers: 2 of 71
1 HIS97.36--55.8% (t60)
chi angles: 191.1,80.1
0.082Å--
2 THR221.06-Favored (98.02%)
Pre-proline / -70.6,144.2
15.3% (t)
chi angles: 187.5
0.074Å--
3 PRO104-Favored (40.79%)
Proline / -77.0,159.6
9.2% (Cg_endo)
chi angles: 12.4
0.121Å--
4 THR236.31-Favored (42.3%)
Pre-proline / -114.3,155.9
15.3% (t)
chi angles: 187.8
0.079Å--
5 PRO175.31-Favored (54.47%)
Proline / -74.2,153.5
77.6% (Cg_exo)
chi angles: 333.4
0.107Å--
6 THR149-Favored (53.27%)
Pre-proline / -110.5,114.3
85.7% (m)
chi angles: 301.6
0.093Å--
7 PRO188.35-Favored (72.62%)
Proline / -57.9,-24.9
73.4% (Cg_endo)
chi angles: 28.9
0.067Å--
8 ILE74.18-Favored (44.05%)
General case / -102.1,118.2
62.6% (mt)
chi angles: 302.8,165.3
0.099Å--
9 CYS40.150.43Å
N with 57 CYS SG
Favored (35.5%)
General case / -109.9,145.2
84% (m)
chi angles: 292.5
0.147Å--
10 LYS131.7-Favored (44.28%)
General case / -104.8,117.0
29.6% (mmtp)
chi angles: 296,297,173.9,46
0.129Å--
11 SER51-Favored (40.9%)
General case / -140.6,143.3
66.6% (m)
chi angles: 298.4
0.102Å--
12 ARG125.350.478Å
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 SER120.92-Favored (34.34%)
General case / -79.3,124.6
80.1% (p)
chi angles: 69.9
0.099Å--
14 HIS94.38-Favored (86.25%)
General case / -67.2,-37.8
30.7% (t-80)
chi angles: 173.6,277.3
0.101Å--
15 GLU107.21-Favored (86.51%)
General case / -65.9,-36.7
78.1% (mm-40)
chi angles: 290,298,133.1
0.076Å--
16 TYR161.410.568Å
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 LYS237.01-Favored (12.68%)
General case / -108.7,101.8
49% (tptt)
chi angles: 189.9,73.2,169.2,185.6
0.126Å--
18 GLY80.85-Favored (18.91%)
Glycine / 128.8,-165.1
----
19 ARG180.29-Favored (21.77%)
General case / -77.0,118.7
15.7% (ptm180)
chi angles: 59.3,191,291.6,167.2
0.086Å--
20 CYS266.950.568Å
CA with 16 TYR CE2
Favored (62.11%)
General case / -73.8,-25.7
28.3% (p)
chi angles: 66.5
0.135Å--
21 ILE320.670.479Å
CD1 with 48 PHE CB
OUTLIER (0%)
General case / 3.3,85.6
37.5% (mm)
chi angles: 308.6,300
0.133Å--
22 GLN197.240.422Å
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 ASP71.08-Favored (77.68%)
General case / -68.6,-34.4
27.2% (m-20)
chi angles: 288.5,110.2
0.07Å--
24 MET114.37-Favored (88.96%)
General case / -59.8,-46.5
26.3% (ttt)
chi angles: 181.4,180.8,183.1
0.113Å--
25 ASP127.580.417Å
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 CYS82.46-Favored (99.44%)
General case / -63.4,-41.1
11.4% (t)
chi angles: 168.4
0.055Å--
27 ASN93.88-Favored (90.4%)
General case / -59.3,-45.4
30.8% (t-20)
chi angles: 195.8,321.3
0.104Å--
28 ALA62.340.51Å
CB with 33 GLU CG
Favored (80.83%)
General case / -61.3,-49.1
-0.097Å--
29 ALA59.44-Favored (92.64%)
General case / -59.7,-44.1
-0.07Å--
30 CYS89-Allowed (0.23%)
General case / -65.7,-73.3
39.5% (m)
chi angles: 307.6
0.123Å--
31 VAL160.740.485Å
CG1 with 32 LYS N
Allowed (0.58%)
General case / -78.2,-71.6
6% (p)
chi angles: 54.9
0.132Å--
32 LYS68.70.485Å
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 GLU186.390.51Å
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 SER179.33-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 GLU169.120.497Å
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 SER114.36-Favored (8.36%)
General case / -81.7,97.7
69.2% (m)
chi angles: 296
0.083Å--
37 TYR161.750.497Å
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 THR74.840.421Å
O with 31 VAL CB
Favored (70.93%)
General case / -70.8,-44.7
96.4% (m)
chi angles: 299.6
0.093Å--
39 GLY56.2-Favored (19.42%)
Glycine / -158.1,-168.2
----
40 GLY47.92-Favored (22.65%)
Glycine / -167.0,155.3
----
41 PHE173.41-Favored (46.28%)
General case / -139.4,148.6
82.9% (m-85)
chi angles: 290.1,85
0.118Å--
42 CYS114.150.444Å
CB with 48 PHE CD1
Favored (15.9%)
General case / -74.7,116.3
6% (m)
chi angles: 274.4
0.155Å--
43 ASN107.560.47Å
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 GLY146.090.418Å
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 ARG347.660.418Å
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 PRO267.780.47Å
CG with 43 ASN CB
Favored (9.8%)
Proline / -79.9,177.4
65% (Cg_exo)
chi angles: 327.5
0.069Å--
47 PRO120.01-Favored (3.95%)
Proline / -70.6,7.3
76.2% (Cg_exo)
chi angles: 332.2
0.088Å--
48 PHE92.010.479Å
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 LYS139.89-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 GLN118.58-Favored (38.02%)
General case / -87.4,130.0
0.8%
chi angles: 296.6,92.1,255
0.115Å--
51 CYS89.57-Favored (18.72%)
General case / -95.5,103.8
4.6% (t)
chi angles: 164.1
0.066Å--
52 PHE129.320.442Å
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 CYS71.58-Favored (20.67%)
General case / -100.7,153.5
59.7% (m)
chi angles: 304.6
0.143Å--
54 THR51.24-Favored (58.43%)
General case / -118.8,136.2
68% (p)
chi angles: 62
0.08Å--
55 LYS134.210.459Å
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 PRO154.920.459Å
CD with 55 LYS CB
Favored (23.09%)
Proline / -66.6,-9.2
6.8% (Cg_endo)
chi angles: 9.4
0.198Å--
57 CYS111.820.43Å
SG with 9 CYS N
Favored (12.46%)
General case / 56.6,50.2
61.6% (m)
chi angles: 303.6
0.096Å--
58 LYS204.24-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 ARG237.48-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 GLU222.86-Favored (30.07%)
General case / -78.1,155.2
52.2% (mt-10)
chi angles: 294.9,178.3,57
0.065Å--
61 ARG248.17-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 ALA64.87-Favored (98.73%)
General case / -64.0,-41.0
-0.108Å--
63 ALA209.8-Favored (16.5%)
General case / -59.6,152.0
-0.082Å--
64 ALA242.15-Favored (48.8%)
General case / -110.9,139.4
-0.088Å--
65 THR143.97-Favored (91.24%)
General case / -65.7,-43.5
71% (p)
chi angles: 64
0.113Å--
66 LEU237.630.476Å
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 ARG248.080.476Å
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 TRP287.55-Favored (95.17%)
Pre-proline / -72.4,134.9
0.2%
chi angles: 55.7,325.6
0.131Å--
69 PRO150.57-Favored (32.39%)
Proline / -51.1,-46.8
87.8% (Cg_endo)
chi angles: 30.1
0.05Å--
70 GLY23.86-Favored (66.24%)
Glycine / 66.5,19.3
----
71 LEU96.620.454Å
CD1 with 71 LEU C
-3.1% (tm?)
chi angles: 186.2,291.3
0.087Å--