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 rotamers3.28% Goal: <1%
Ramachandran outliers4.35% Goal: <0.2%
Ramachandran favored86.96% Goal: >98%
Cβ deviations >0.25Å3 Goal: 0
MolProbity score^3.2515th percentile* (N=27675, 0Å - 99Å)
Residues with bad bonds:0.00% Goal: 0%
Residues with bad angles:8.45% 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: 0.00Clashscore: 57.87Outliers: 3 of 69Poor rotamers: 2 of 61Outliers: 3 of 66Outliers: 0 of 71Outliers: 6 of 71
1 HIS0--70.2% (t60)
chi angles: 182.3,85.1
0.058Å--
2 THR0-Favored (10.64%)
Pre-proline / -142.3,169.7
10% (t)
chi angles: 192.7
0.068Å--
3 PRO0-Favored (51.71%)
Proline / -74.9,155.6
6.8% (Cg_endo)
chi angles: 9.4
0.155Å--
4 THR0-Favored (9.89%)
Pre-proline / -141.8,170.2
12.7% (t)
chi angles: 191
0.083Å--
5 PRO0-Favored (50.68%)
Proline / -73.5,160.7
5.9% (Cg_endo)
chi angles: 8.4
0.136Å--
6 THR00.481Å
CG2 with 7 PRO CD
Allowed (0.52%)
Pre-proline / -146.8,-175.5
1.1% (t)
chi angles: 207.9
0.269Å--
7 PRO00.481Å
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 ILE0-Favored (12.92%)
General case / -61.5,121.2
49.2% (mm)
chi angles: 303.9,301.2
0.071Å--
9 CYS0-Favored (63.06%)
General case / -121.4,127.7
70.1% (m)
chi angles: 288.5
0.089Å--
10 LYS00.575Å
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 SER0-Favored (32.05%)
General case / -143.6,140.7
47% (t)
chi angles: 180.3
0.086Å--
12 ARG0-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 SER0-Favored (23.11%)
General case / -79.8,117.8
37.1% (t)
chi angles: 182.2
0.061Å--
14 HIS0-Favored (73.04%)
General case / -69.6,-32.1
6.6% (p80)
chi angles: 44.5,98.4
0.053Å--
15 GLU00.404Å
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 TYR00.56Å
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 LYS0-Favored (8.45%)
General case / -103.4,96.1
56.6% (tptt)
chi angles: 177.7,71,178.9,180.8
0.106Å--
18 GLY0-Favored (19.11%)
Glycine / 128.4,-162.6
----
19 ARG00.465Å
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 CYS00.56Å
CA with 16 TYR CE2
Favored (2.25%)
General case / -94.2,55.3
4.3% (p)
chi angles: 45.7
0.143Å--
21 ILE0-Favored (3%)
General case / -41.2,-41.9
47.9% (mm)
chi angles: 303.9,298.9
0.161Å--
22 GLN00.43Å
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 ASP00.43Å
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 MET0-Favored (95.17%)
General case / -61.1,-41.0
86.3% (mtp)
chi angles: 288.2,187.7,70.4
0.103Å--
25 ASP0-Favored (98.56%)
General case / -62.7,-43.6
52.9% (m-20)
chi angles: 292.4,119.1
0.064Å--
26 CYS0-Favored (93.63%)
General case / -63.9,-38.6
34.8% (t)
chi angles: 173.6
0.032Å--
27 ASN00.412Å
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 ALA00.467Å
O with 33 GLU CB
Favored (76.85%)
General case / -62.3,-33.4
-0.085Å--
29 ALA0-Favored (89.26%)
General case / -67.0,-41.6
-0.07Å--
30 CYS00.514Å
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 VAL00.594Å
CG1 with 33 GLU CG
Favored (82.95%)
General case / -63.4,-48.0
8.9% (p)
chi angles: 73.2
0.192Å--
32 LYS00.479Å
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 GLU00.594Å
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 SER0-Allowed (0.35%)
General case / -144.7,-35.1
15.1% (p)
chi angles: 48.9
0.134Å--
35 GLU00.432Å
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 SER0-Favored (2.33%)
General case / 40.0,57.7
34.8% (t)
chi angles: 182.9
0.097Å--
37 TYR00.514Å
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 THR00.47Å
CG2 with 39 GLY N
Favored (14.83%)
General case / -87.0,-42.6
15.2% (t)
chi angles: 187.9
0.072Å--
39 GLY00.47Å
N with 38 THR CG2
Favored (25.13%)
Glycine / -167.9,-167.1
----
40 GLY00.514Å
CA with 30 CYS SG
Favored (28.19%)
Glycine / -163.2,157.7
----
41 PHE0-Favored (41.31%)
General case / -121.8,151.4
20.7% (m-85)
chi angles: 311.6,83
0.361Å--
42 CYS00.402Å
SG with 20 CYS O
Favored (12.53%)
General case / -93.7,98.5
42.5% (t)
chi angles: 177
0.136Å--
43 ASN0-Allowed (0.51%)
General case / -55.2,106.0
51.8% (t30)
chi angles: 184.1,58
0.13Å--
44 GLY00.586Å
CA with 48 PHE CG
Favored (4.85%)
Glycine / -138.4,128.7
----
45 ARG00.498Å
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 PRO00.466Å
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 PRO0-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 PHE00.586Å
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 LYS00.41Å
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 GLN0-Favored (40.76%)
General case / -81.5,130.3
23% (mm100)
chi angles: 300,299.3,141.9
0.085Å--
51 CYS0-Favored (25.19%)
General case / -91.5,111.3
2.4% (t)
chi angles: 161.9
0.074Å--
52 PHE00.575Å
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 CYS0-Favored (24.87%)
General case / -102.1,149.0
72.4% (m)
chi angles: 298
0.109Å--
54 THR0-Favored (51.18%)
General case / -115.9,140.9
81.1% (p)
chi angles: 61.2
0.083Å--
55 LYS00.514Å
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 PRO0-Favored (41.62%)
Proline / -75.1,146.6
75.9% (Cg_exo)
chi angles: 333.2
0.115Å--
57 CYS0-Favored (40.21%)
General case / -141.8,158.9
58.3% (m)
chi angles: 305.2
0.094Å--
58 LYS0-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 ARG0-Favored (29.1%)
General case / -157.9,158.8
74.2% (ttt180)
chi angles: 183,180.1,179.8,169.6
0.089Å--
60 GLU0-Favored (25.55%)
General case / -161.5,161.7
88.3% (tt0)
chi angles: 185.5,178.1,178.4
0.078Å--
61 ARG0-Favored (25.55%)
General case / -159.4,166.2
71.7% (ttt180)
chi angles: 186.7,180,179.8,168
0.077Å--
62 ALA0-Favored (16.4%)
General case / -165.7,164.8
-0.098Å--
63 ALA0-Favored (13.91%)
General case / -167.2,163.4
-0.101Å--
64 ALA0-Favored (11.57%)
General case / -167.9,159.0
-0.097Å--
65 THR0-Favored (30.8%)
General case / -154.6,163.9
15% (t)
chi angles: 188.5
0.084Å--
66 LEU00.503Å
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 ARG00.503Å
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 TRP00.471Å
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 PRO00.471Å
CD with 68 TRP CG
Favored (29.77%)
Proline / -78.9,163.7
9.6% (Cg_endo)
chi angles: 12.9
0.152Å--
70 GLY0-Favored (38.44%)
Glycine / -162.6,165.7
----
71 LEU00.43Å
OXT with 71 LEU CD2
-2.3% (tt)
chi angles: 200.3,182.5
0.114Å--