All-Atom
Contacts
Clashscore, all atoms:43.4 6th percentile* (N=1784, all resolutions)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry
Poor rotamers3.28% Goal: <1%
Ramachandran outliers1.45% Goal: <0.2%
Ramachandran favored94.20% Goal: >98%
Cβ deviations >0.25Å0 Goal: 0
MolProbity score^2.9027th percentile* (N=27675, 0Å - 99Å)
Residues with bad bonds:0.00% Goal: 0%
Residues with bad angles:0.00% 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: 135.61Clashscore: 43.4Outliers: 1 of 69Poor rotamers: 2 of 61Outliers: 0 of 66Outliers: 0 of 71Outliers: 0 of 71
1 HIS68.34--73.6% (m80)
chi angles: 289.9,77.3
0.059Å--
2 THR242.98-Favored (53.77%)
Pre-proline / -120.3,149.1
14.4% (t)
chi angles: 187
0.071Å--
3 PRO183.56-Favored (57.47%)
Proline / -73.1,157.8
76.6% (Cg_exo)
chi angles: 332.2
0.112Å--
4 THR252.17-Favored (30.46%)
Pre-proline / -115.8,141.6
71.8% (p)
chi angles: 63.4
0.108Å--
5 PRO179.35-Favored (47.99%)
Proline / -75.0,159.7
71.5% (Cg_exo)
chi angles: 332.5
0.08Å--
6 THR230.4-Favored (99.21%)
Pre-proline / -68.5,138.9
53.1% (p)
chi angles: 65.5
0.09Å--
7 PRO156.99-Favored (55.13%)
Proline / -73.0,148.3
85.1% (Cg_exo)
chi angles: 331.7
0.152Å--
8 ILE111.130.553Å
CG2 with 54 THR CB
Favored (63.39%)
General case / -122.1,128.7
49.7% (mm)
chi angles: 301.1,299.8
0.111Å--
9 CYS54.20.438Å
N with 57 CYS SG
Favored (32.33%)
General case / -69.9,127.3
61% (m)
chi angles: 303.9
0.132Å--
10 LYS91.98-Favored (56.41%)
General case / -117.3,121.0
61% (mttm)
chi angles: 288.8,168.9,179.2,304.4
0.07Å--
11 SER47.94-Favored (47.15%)
General case / -139.5,149.9
51.6% (m)
chi angles: 300.1
0.121Å--
12 ARG179.74-Favored (46.19%)
General case / -72.1,144.0
19.9% (ttp180)
chi angles: 180.1,198.7,74.5,155.5
0.105Å--
13 SER71.140.422Å
CB with 53 CYS SG
Favored (21.97%)
General case / -78.4,117.9
48.1% (t)
chi angles: 179.7
0.078Å--
14 HIS92.42-Favored (75.5%)
General case / -69.7,-34.0
75.6% (m80)
chi angles: 296.2,93.9
0.052Å--
15 GLU132.29-Favored (90.39%)
General case / -65.4,-37.9
38.8% (tp10)
chi angles: 180.2,67.4,178.6
0.074Å--
16 TYR143.76-Favored (21.67%)
General case / -78.3,117.8
21.3% (t80)
chi angles: 196.8,64.5
0.053Å--
17 LYS265.360.422Å
C with 17 LYS CD
Favored (6.79%)
General case / -108.4,96.0
0.5%
chi angles: 188.4,293.6,187.8,68.7
0.055Å--
18 GLY80.09-Favored (21.35%)
Glycine / 136.4,-167.1
----
19 ARG132.750.496Å
CD with 21 ILE CD1
Favored (44.6%)
General case / -73.3,131.8
63.6% (ttt180)
chi angles: 170.6,182.4,169.1,170.6
0.082Å--
20 CYS144.440.408Å
CB with 48 PHE O
Favored (12.56%)
General case / -82.2,104.7
38.2% (t)
chi angles: 187.8
0.099Å--
21 ILE145.20.496Å
CD1 with 19 ARG CD
Favored (58.02%)
General case / -74.0,-45.2
43.9% (mm)
chi angles: 301.3,304.9
0.045Å--
22 GLN137.470.437Å
C with 42 CYS SG
Favored (35.36%)
General case / -137.8,164.7
39.8% (tp60)
chi angles: 186.2,84.8,50
0.106Å--
23 ASP58.060.418Å
N with 22 GLN CG
Favored (92.95%)
General case / -65.3,-38.6
86% (m-20)
chi angles: 292.4,151
0.085Å--
24 MET109.8-Favored (92.08%)
General case / -59.5,-43.2
13.7% (mmt)
chi angles: 281.8,290.9,192.4
0.09Å--
25 ASP52.68-Favored (98.97%)
General case / -62.1,-43.1
81.5% (m-20)
chi angles: 290.3,174.8
0.089Å--
26 CYS71.75-Favored (93.56%)
General case / -64.6,-44.0
26.6% (t)
chi angles: 172.3
0.047Å--
27 ASN72.25-Favored (92.26%)
General case / -59.6,-44.1
6.5% (m120)
chi angles: 280,74.8
0.096Å--
28 ALA61.870.457Å
O with 33 GLU CB
Favored (75.62%)
General case / -60.2,-50.6
-0.093Å--
29 ALA65.170.554Å
CA with 33 GLU CB
Favored (82.33%)
General case / -57.1,-44.1
-0.079Å--
30 CYS75.4-Favored (14.27%)
General case / -70.5,-55.1
22.5% (m)
chi angles: 311.5
0.144Å--
31 VAL99.420.412Å
CG2 with 38 THR O
Allowed (0.87%)
General case / -62.7,-66.7
80.2% (t)
chi angles: 179.1
0.071Å--
32 LYS148.12-Allowed (1.84%)
General case / -140.8,7.0
19.4% (ptmt)
chi angles: 61,171.6,302.5,174.7
0.128Å--
33 GLU218.220.554Å
CB with 29 ALA CA
Favored (91.98%)
General case / -66.4,-41.1
5.1% (tp10)
chi angles: 181.2,87.7,60
0.225Å--
34 SER182.06-OUTLIER (0.04%)
General case / -158.4,-91.5
63.6% (m)
chi angles: 298.8
0.124Å--
35 GLU121.440.407Å
CB with 37 TYR CE1
Favored (3.09%)
General case / -53.8,156.4
68.9% (mm-40)
chi angles: 293.1,296.9,169.8
0.057Å--
36 SER105.89-Favored (9.59%)
General case / -85.4,95.1
68.8% (m)
chi angles: 297
0.091Å--
37 TYR175.010.546Å
CZ with 55 LYS CE
Favored (47.03%)
General case / -136.2,143.5
75.8% (m-85)
chi angles: 287.7,85.3
0.164Å--
38 THR132.70.458Å
CG2 with 39 GLY N
Favored (71.14%)
General case / -70.8,-44.6
9% (t)
chi angles: 180
0.052Å--
39 GLY59.230.458Å
N with 38 THR CG2
Favored (19.71%)
Glycine / -157.0,-168.8
----
40 GLY52.28-Favored (16.18%)
Glycine / -174.2,155.5
----
41 PHE171.52-Favored (52.53%)
General case / -137.0,156.1
55.8% (m-85)
chi angles: 283.3,83.2
0.133Å--
42 CYS136.320.437Å
SG with 22 GLN C
Favored (43.37%)
General case / -74.8,139.2
66.5% (m)
chi angles: 302.2
0.189Å--
43 ASN118.340.471Å
CB with 46 PRO CB
Favored (39.44%)
General case / -59.7,130.1
9.7% (m120)
chi angles: 286.9,151.1
0.083Å--
44 GLY82.330.417Å
CA with 48 PHE CE1
Allowed (1.57%)
Glycine / -80.5,-66.5
----
45 ARG61.130.432Å
CB with 46 PRO CD
Favored (41.61%)
Pre-proline / -58.9,-38.2
72.9% (mtt180)
chi angles: 292.4,190.4,178.3,209.9
0.068Å--
46 PRO221.330.471Å
CB with 43 ASN CB
Favored (8.59%)
Proline / -69.3,178.3
92.8% (Cg_exo)
chi angles: 329.9
0.14Å--
47 PRO122.41-Favored (8.73%)
Proline / -63.7,-2.4
87.4% (Cg_exo)
chi angles: 331.6
0.133Å--
48 PHE106.090.417Å
CE1 with 44 GLY CA
Favored (2.69%)
General case / 74.2,3.8
98.9% (m-85)
chi angles: 295.9,97.4
0.135Å--
49 LYS128.65-Favored (67.17%)
General case / -74.0,-39.7
92.2% (mttt)
chi angles: 283.9,171,176.9,181.1
0.113Å--
50 GLN75.25-Favored (38.87%)
General case / -83.6,129.2
95.4% (mt-30)
chi angles: 293.2,180,345
0.082Å--
51 CYS87.34-Favored (23.25%)
General case / -92.5,108.3
2.6% (t)
chi angles: 162.2
0.072Å--
52 PHE96.79-Favored (35.46%)
General case / -97.1,115.5
0.2%
chi angles: 234.3,80.6
0.108Å--
53 CYS62.770.528Å
CB with 37 TYR CD2
Favored (21.19%)
General case / -98.2,150.9
85.7% (m)
chi angles: 300.5
0.103Å--
54 THR54.660.553Å
CB with 8 ILE CG2
Favored (59.16%)
General case / -119.2,135.7
81.3% (p)
chi angles: 61.1
0.076Å--
55 LYS104.680.546Å
CE with 37 TYR CZ
Favored (54.67%)
Pre-proline / -123.1,158.0
94.5% (mttt)
chi angles: 290.2,170.1,179.2,177.3
0.209Å--
56 PRO93.21-Favored (17.42%)
Proline / -72.5,131.0
8.4% (Cg_endo)
chi angles: 10.4
0.095Å--
57 CYS74.030.438Å
SG with 9 CYS N
Favored (41.21%)
General case / -80.5,129.9
91.7% (m)
chi angles: 289.9
0.086Å--
58 LYS251.63-Favored (45.96%)
General case / -69.2,133.3
12.4% (mmmm)
chi angles: 295.9,304.6,314.9,295.8
0.099Å--
59 ARG216.56-Favored (23.64%)
General case / -80.1,164.0
96.8% (mtt180)
chi angles: 296.4,180.4,180.2,193.9
0.033Å--
60 GLU239.23-Favored (28.16%)
General case / -55.9,141.9
89.2% (tt0)
chi angles: 179.9,180.2,178.2
0.088Å--
61 ARG116.24-Favored (93.7%)
General case / -62.0,-39.6
44.8% (ttt180)
chi angles: 189.9,186.9,191.4,213.4
0.107Å--
62 ALA206.57-Favored (14.89%)
General case / -58.9,123.1
-0.092Å--
63 ALA235.68-Favored (10.78%)
General case / -101.5,167.5
-0.107Å--
64 ALA238.32-Favored (53.19%)
General case / -60.6,139.5
-0.101Å--
65 THR198.46-Favored (38.54%)
General case / -74.5,150.5
87.1% (m)
chi angles: 301.8
0.073Å--
66 LEU251.750.449Å
N with 66 LEU CD2
Favored (60.93%)
General case / -112.2,132.1
1.8% (mm?)
chi angles: 294.4,294
0.098Å--
67 ARG317.15-Favored (56.24%)
General case / -128.4,140.9
58% (ttm-85)
chi angles: 183.7,185,301.8,269.7
0.125Å--
68 TRP186.6-Favored (22.03%)
Pre-proline / -107.3,133.3
89.6% (m95)
chi angles: 290.5,87.7
0.09Å--
69 PRO164.49-Favored (47.53%)
Proline / -75.5,158.3
71.6% (Cg_exo)
chi angles: 332.5
0.096Å--
70 GLY92.42-Favored (13.4%)
Glycine / -143.4,144.9
----
71 LEU111.02--62% (tp)
chi angles: 180.5,63.3
0.093Å--