A0A2K5MVZ3_CERAT Loading...

PIH1 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A2K5MVZ3, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PIH1D2, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.4Very low48Very low179 Ų179101.5 Ų101.588%0.88256%0.558SS**  0116.90-78.9-177.2176.500107.8T3 T224 E225M1-T3 PolarHBondContact O-N 2.84Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-T224 VanDerWaalsContact CE-O 3.25Å; M1-T224 WeakPolarHBondContact CE-O 3.47Å; M1-E225 HydrophobicContact CE-CG 3.97Å; M1-E225 HydrophobicContact SD-CG 3.63Å
2E33Very low49.2Very low195 Ų19596.9 Ų96.991%0.91154%0.535SS*.  trans-61.8112.1170.2-74.3176.6144.600108.1S4E2-S4 PolarHBondContact O-N 3.05Å
3T39.6Very low50.7Low106 Ų10694.9 Ų94.965%0.6553%0.528SS*.  trans-58.8104.5165.546.90000106.7M1 S5M1-T3 PolarHBondContact O-N 2.84Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-S5 PolarHBondContact O-N 2.82Å
4S43Very low52.1Low76 Ų7696.8 Ų96.853%0.53153%0.53SS..  trans-51.6120.2-177.2-174.40000108.9E2 K6 G7E2-S4 PolarHBondContact O-N 3.05Å; S4-K6 PolarHBondContact O-N 3.15Å; S4-G7 PolarHBondContact O-N 3.14Å
5S50.9Low53.5Low87 Ų8793.8 Ų93.861%0.60851%0.51SS*.Hα-helixtrans-48.6-23.4-179.454.40000113.8T3 L9T3-S5 PolarHBondContact O-N 2.82Å; S5-L9 PolarHBondContact O-N 3.2Å; S5-L9 VanDerWaalsContact O-N 3.15Å
6K51.3Low54.9Low163 Ų16396.9 Ų96.971%0.70951%0.512SS*.Hα-helixtrans-62.8-45.1171.8-69.5-178.3177.1-179.80113.6S4 L8 L9 T10S4-K6 PolarHBondContact O-N 3.15Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.17Å; K6-L9 PolarHBondContact O-N 3.32Å; K6-T10 PolarHBondContact O-N 2.68Å; K6-T10 VanDerWaalsContact O-N 3.14Å; K6-T10 PolarHBondContact O-OG1 3.07Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å
7G53.5Low56.3Low39 Ų3996.1 Ų96.140%0.40251%0.508SS..Hα-helixtrans-65.8-35.9-179.800000112.4S4 T10 Q11S4-G7 PolarHBondContact O-N 3.14Å; G7-T10 PolarHBondContact O-N 2.8Å; G7-Q11 WeakPolarHBondContact O-CG 3.26Å; G7-Q11 PolarHBondContact O-N 2.83Å; G7-Q11 VanDerWaalsContact O-N 3.13Å
8L50.3Low57.7Low19 Ų1995.9 Ų95.910%0.09951%0.507CS..Hα-helixtrans-70.5-37.6176.9-169.9141.2000112.1K6 T10 Q11 V12 R181K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.17Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-Q11 PolarHBondContact O-N 3.3Å; L8-V12 HydrophobicContact CD2-CG2 4.38Å; L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å; L8-R181 HydrophobicContact CD1-CB 4.21Å; L8-R181 HydrophobicContact CD2-CB 3.91Å; L8-R181 HydrophobicContact CD2-CG 3.8Å
9L57.8Low58.8Low98 Ų9891.5 Ų91.551%0.51348%0.484SS..Hα-helixtrans-62.5-43.1174.4-134.7100.3000111.3S5 K6 Q11 V12 T13S5-L9 PolarHBondContact O-N 3.2Å; S5-L9 VanDerWaalsContact O-N 3.15Å; K6-L9 PolarHBondContact O-N 3.32Å; L9-Q11 PolarHBondContact O-N 2.81Å; L9-V12 PolarHBondContact O-N 3.25Å; L9-T13 PolarHBondContact O-N 2.78Å; L9-T13 PolarHBondContact O-OG1 2.78Å; L9-T13 VanDerWaalsContact O-OG1 3.07Å
10T62.2Low60Low76 Ų7691.5 Ų91.547%0.46648%0.484SS..Hα-helixtrans-62.5-41.4178.2-54.60000112.3K6 G7 L8 T13 Q14K6-T10 PolarHBondContact O-N 2.68Å; K6-T10 VanDerWaalsContact O-N 3.14Å; K6-T10 PolarHBondContact O-OG1 3.07Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å; G7-T10 PolarHBondContact O-N 2.8Å; L8-T10 VanDerWaalsContact C-N 3.34Å; T10-T13 PolarHBondContact O-N 2.79Å; T10-Q14 VanDerWaalsContact O-CG 3.29Å; T10-Q14 WeakPolarHBondContact O-CG 2.9Å; T10-Q14 PolarHBondContact O-N 3.33Å
11Q56.3Low61Low78 Ų7891.9 Ų91.936%0.36449%0.486SS..Hα-helixtrans-64.8-41.1176.8-75.8175.2-10.800112.6G7 L8 L9 T13 Q14 F15G7-Q11 WeakPolarHBondContact O-CG 3.26Å; G7-Q11 PolarHBondContact O-N 2.83Å; G7-Q11 VanDerWaalsContact O-N 3.13Å; L8-Q11 PolarHBondContact O-N 3.3Å; L9-Q11 PolarHBondContact O-N 2.81Å; Q11-T13 VanDerWaalsContact C-N 3.34Å; Q11-Q14 PolarHBondContact O-N 2.98Å; Q11-F15 PolarHBondContact O-N 2.79Å
12V61.7Low63.4Low47 Ų4785.1 Ų85.129%0.28545%0.454SS..Hα-helixtrans-62.2-44.5175.41720000110.3L8 L9 F15 W16 R181L8-V12 HydrophobicContact CD2-CG2 4.38Å; L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.25Å; V12-F15 PolarHBondContact O-N 2.83Å; V12-W16 VanDerWaalsContact CG1-NE1 3.28Å; V12-W16 PolarHBondContact O-N 3.3Å; V12-W16 VanDerWaalsContact O-N 3.08Å; V12-R181 HydrophobicContact CG2-CG 4.45Å
13T69.5Low65.8Low71 Ų7177.7 Ų77.744%0.43643%0.426SS..Hα-helixtrans-62.4-42.3176.2-56.50000112.4L9 T10 Q11 F15 W16 N17L9-T13 PolarHBondContact O-N 2.78Å; L9-T13 PolarHBondContact O-OG1 2.78Å; L9-T13 VanDerWaalsContact O-OG1 3.07Å; T10-T13 PolarHBondContact O-N 2.79Å; Q11-T13 VanDerWaalsContact C-N 3.34Å; T13-F15 VanDerWaalsContact C-N 3.3Å; T13-F15 PolarHBondContact O-N 2.82Å; T13-W16 PolarHBondContact O-N 3.06Å; T13-N17 VanDerWaalsContact O-CG 3.26Å; T13-N17 PolarHBondContact O-N 2.92Å; T13-N17 PolarHBondContact O-OD1 3.12Å
14Q70.5Confident68Low121 Ų12180.8 Ų80.857%0.56543%0.432SS*.Hα-helixtrans-62.4-38176.6-75.1171.1-14.700112.4T10 Q11 L18T10-Q14 VanDerWaalsContact O-CG 3.29Å; T10-Q14 WeakPolarHBondContact O-CG 2.9Å; T10-Q14 PolarHBondContact O-N 3.33Å; Q11-Q14 PolarHBondContact O-N 2.98Å; Q14-L18 WeakPolarHBondContact O-CB 3.15Å; Q14-L18 PolarHBondContact O-N 2.8Å
15F72.9Confident70.1Confident52 Ų5281.8 Ų81.823%0.22844%0.439CS..Hα-helixtrans-65.9-44.2176.1-179.7-105.1000112.2Q11 V12 T13 L18 L19 I189Q11-F15 PolarHBondContact O-N 2.79Å; V12-F15 PolarHBondContact O-N 2.83Å; T13-F15 VanDerWaalsContact C-N 3.3Å; T13-F15 PolarHBondContact O-N 2.82Å; F15-L18 WeakPolarHBondContact O-CB 3.39Å; F15-L18 PolarHBondContact O-N 2.91Å; F15-L19 HydrophobicContact CD1-CD1 4Å; F15-L19 HydrophobicContact CD1-CG 4.45Å; F15-L19 HydrophobicContact CE1-CD1 3.4Å; F15-L19 VanDerWaalsContact CE1-CD1 3.4Å; F15-L19 HydrophobicContact CE1-CG 4.07Å; F15-L19 HydrophobicContact CE2-CD2 4.46Å; F15-L19 HydrophobicContact CE2-CG 4.45Å; F15-L19 HydrophobicContact CZ-CD1 3.74Å; F15-L19 HydrophobicContact CZ-CD2 4.16Å; F15-L19 HydrophobicContact CZ-CG 4.06Å; F15-L19 WeakPolarHBondContact O-CG 3.32Å; F15-L19 PolarHBondContact O-N 2.85Å; F15-I189 HydrophobicContact CD2-CD1 3.91Å; F15-I189 HydrophobicContact CE2-CD1 4.02Å
16W75.9Confident71.8Confident143 Ų14381.2 Ų81.254%0.54243%0.43SS..Hα-helixtrans-61.1-45.6175.6-69.2117.9000111.8V12 T13 L18 L19 D20V12-W16 VanDerWaalsContact CG1-NE1 3.28Å; V12-W16 PolarHBondContact O-N 3.3Å; V12-W16 VanDerWaalsContact O-N 3.08Å; T13-W16 PolarHBondContact O-N 3.06Å; W16-L18 VanDerWaalsContact C-N 3.29Å; W16-L18 PolarHBondContact O-N 2.79Å; W16-L19 HydrophobicContact CE3-CD1 4.03Å; W16-L19 HydrophobicContact CZ3-CD1 4.09Å; W16-L19 WeakPolarHBondContact O-CB 3.48Å; W16-L19 PolarHBondContact O-N 2.82Å; W16-L19 VanDerWaalsContact O-N 3.07Å; W16-D20 PolarHBondContact O-N 2.76Å
17N77.4Confident73.5Confident84 Ų8477.4 Ų77.445%0.44942%0.422SS..Hα-helixtrans-60.2-40.2176.9-66.6-3.6000111.8T13 L19 D20 D21T13-N17 VanDerWaalsContact O-CG 3.26Å; T13-N17 PolarHBondContact O-N 2.92Å; T13-N17 PolarHBondContact O-OD1 3.12Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 2.86Å; N17-D20 PolarHBondContact O-N 2.85Å; N17-D21 WeakPolarHBondContact O-CB 3.44Å; N17-D21 PolarHBondContact O-N 2.81Å
18L82.9Confident75.1Confident92 Ų9281.8 Ų81.848%0.48243%0.432SS..Hα-helixtrans-61.7-40.7174.6174.867.6000112.1Q14 F15 W16 L22Q14-L18 WeakPolarHBondContact O-CB 3.15Å; Q14-L18 PolarHBondContact O-N 2.8Å; F15-L18 WeakPolarHBondContact O-CB 3.39Å; F15-L18 PolarHBondContact O-N 2.91Å; W16-L18 VanDerWaalsContact C-N 3.29Å; W16-L18 PolarHBondContact O-N 2.79Å; L18-L22 VanDerWaalsContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 PolarHBondContact O-N 3.2Å
19L78.6Confident76.5Confident12 Ų1281.7 Ų81.76%0.06344%0.435CS..Hα-helixtrans-67-39.8177-69.7-177.6000111.8F15 W16 N17 L22 A23 Y30 F33F15-L19 HydrophobicContact CD1-CD1 4Å; F15-L19 HydrophobicContact CD1-CG 4.45Å; F15-L19 HydrophobicContact CE1-CD1 3.4Å; F15-L19 VanDerWaalsContact CE1-CD1 3.4Å; F15-L19 HydrophobicContact CE1-CG 4.07Å; F15-L19 HydrophobicContact CE2-CD2 4.46Å; F15-L19 HydrophobicContact CE2-CG 4.45Å; F15-L19 HydrophobicContact CZ-CD1 3.74Å; F15-L19 HydrophobicContact CZ-CD2 4.16Å; F15-L19 HydrophobicContact CZ-CG 4.06Å; F15-L19 WeakPolarHBondContact O-CG 3.32Å; F15-L19 PolarHBondContact O-N 2.85Å; W16-L19 HydrophobicContact CE3-CD1 4.03Å; W16-L19 HydrophobicContact CZ3-CD1 4.09Å; W16-L19 WeakPolarHBondContact O-CB 3.48Å; W16-L19 PolarHBondContact O-N 2.82Å; W16-L19 VanDerWaalsContact O-N 3.07Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 2.86Å; L19-L22 PolarHBondContact O-N 2.79Å; L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 2.81Å; L19-Y30 HydrophobicContact CB-CE2 4.17Å; L19-Y30 HydrophobicContact CD2-CE2 4.17Å; L19-F33 HydrophobicContact CD2-CD1 3.98Å; L19-F33 HydrophobicContact CD2-CE1 3.63Å; L19-F33 HydrophobicContact CD2-CZ 4.48Å
20D81.8Confident77.5Confident92 Ų9280.9 Ų80.949%0.49243%0.426SS..Hα-helixtrans-64.9-47.1175.7-68.6-20000110.6W16 N17 L22 A23 E24W16-D20 PolarHBondContact O-N 2.76Å; N17-D20 PolarHBondContact O-N 2.85Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 3.31Å; D20-A23 PolarHBondContact O-N 3.4Å; D20-E24 PolarHBondContact O-N 3.23Å
21D82.3Confident78.4Confident100 Ų10082.6 Ų82.654%0.53543%0.429SS..Hα-helixtrans-58.9-42.2175.6-72.8-20.1000111N17 E24 S25N17-D21 WeakPolarHBondContact O-CB 3.44Å; N17-D21 PolarHBondContact O-N 2.81Å; D21-E24 PolarHBondContact O-N 2.85Å; D21-S25 VanDerWaalsContact O-CB 3.24Å; D21-S25 WeakPolarHBondContact O-CB 3.34Å; D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 3.47Å
22L79.6Confident79.6Confident37 Ų3785.1 Ų85.119%0.19444%0.439CS..Hα-helixtrans-67.6-40.5178.1-170.467.5000111.3L18 L19 D20 E24 D26 Y30 F33L18-L22 VanDerWaalsContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 PolarHBondContact O-N 3.2Å; L19-L22 PolarHBondContact O-N 2.79Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 3.31Å; L22-E24 VanDerWaalsContact C-N 3.3Å; L22-E24 PolarHBondContact O-N 2.82Å; L22-D26 HydrophobicContact CD1-CB 4.21Å; L22-D26 CarbonylContact O-C 3.07Å; L22-D26 WeakPolarHBondContact O-CA 3.43Å; L22-D26 PolarHBondContact O-N 3.18Å; L22-Y30 HydrophobicContact CB-CD2 4.41Å; L22-Y30 HydrophobicContact CD2-CD2 4.26Å; L22-Y30 HydrophobicContact CG-CD2 4.47Å; L22-F33 HydrophobicContact CD2-CB 4.31Å
23A84.6Confident80.5Confident39 Ų3985.8 Ų85.832%0.32244%0.437SS..Hα-helixtrans-64.6-33.7177.100000112.7L19 D20 Y30L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 2.81Å; D20-A23 PolarHBondContact O-N 3.4Å; A23-Y30 HydrophobicContact CB-CD1 4.21Å; A23-Y30 HydrophobicContact CB-CD2 4.07Å; A23-Y30 HydrophobicContact CB-CE1 4.49Å; A23-Y30 HydrophobicContact CB-CE2 4.37Å; A23-Y30 HydrophobicContact CB-CG 3.99Å
24E85.4Confident81Confident170 Ų17084.9 Ų84.979%0.79443%0.429SS*.Hα-helixtrans-81.7-40.6176.7-71.3-172.1179.300113.3D20 D21 L22D20-E24 PolarHBondContact O-N 3.23Å; D21-E24 PolarHBondContact O-N 2.85Å; L22-E24 VanDerWaalsContact C-N 3.3Å; L22-E24 PolarHBondContact O-N 2.82Å
25S86.7Confident81.4Confident97 Ų9784.1 Ų84.168%0.67843%0.426SS*.Hα-helixtrans-90.5-31.5-172.564.30000114.5D21D21-S25 VanDerWaalsContact O-CB 3.24Å; D21-S25 WeakPolarHBondContact O-CB 3.34Å; D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 3.47Å
26D86.9Confident81.5Confident75 Ų7585.7 Ų85.740%0.40143%0.434SS..  trans-146.178.9178-178.513.4000111.3L22 E28 G29 Y30L22-D26 HydrophobicContact CD1-CB 4.21Å; L22-D26 CarbonylContact O-C 3.07Å; L22-D26 WeakPolarHBondContact O-CA 3.43Å; L22-D26 PolarHBondContact O-N 3.18Å; D26-E28 PolarHBondContact O-N 2.76Å; D26-E28 PolarHBondContact OD1-N 3.48Å; D26-G29 VanDerWaalsContact CG-N 3.3Å; D26-G29 PolarHBondContact O-N 3.44Å; D26-G29 VanDerWaalsContact O-N 3.08Å; D26-G29 PolarHBondContact OD1-N 3Å; D26-G29 VanDerWaalsContact OD2-CA 3.26Å; D26-G29 WeakPolarHBondContact OD2-CA 3.17Å; D26-G29 PolarHBondContact OD2-N 3.33Å; D26-Y30 PolarHBondContact O-N 3.1Å
27P87.4Confident81.4Confident84 Ų8481.7 Ų81.755%0.54542%0.421SS..Hα-helixtrans-57.4-34.3-179-24.232000113.7E31P27-E31 WeakPolarHBondContact O-CB 3.4Å; P27-E31 PolarHBondContact O-N 2.74Å
28E86.2Confident81.2Confident131 Ų13183.5 Ų83.561%0.61243%0.431SS*.Hα-helixtrans-71.4-39.1177.2-69-170.8-169.800111.8D26 E31 K32D26-E28 PolarHBondContact O-N 2.76Å; D26-E28 PolarHBondContact OD1-N 3.48Å; E28-E31 PolarHBondContact O-N 2.75Å; E28-K32 WeakPolarHBondContact O-CB 3.4Å; E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.02Å
29G80.4Confident80.6Confident17 Ų1785.9 Ų85.918%0.17544%0.437CS..Hα-helixtrans-64-43.1172.700000112.5D26 K32 F33D26-G29 VanDerWaalsContact CG-N 3.3Å; D26-G29 PolarHBondContact O-N 3.44Å; D26-G29 VanDerWaalsContact O-N 3.08Å; D26-G29 PolarHBondContact OD1-N 3Å; D26-G29 VanDerWaalsContact OD2-CA 3.26Å; D26-G29 WeakPolarHBondContact OD2-CA 3.17Å; D26-G29 PolarHBondContact OD2-N 3.33Å; G29-K32 PolarHBondContact O-N 3.5Å; G29-F33 WeakPolarHBondContact O-CB 3.37Å; G29-F33 PolarHBondContact O-N 3.14Å
30Y79.3Confident79.9Confident81 Ų8188.7 Ų88.732%0.31845%0.45SS..Hα-helixtrans-58.6-48.5172.8178.3-101.7000111.6L19 L22 A23 D26 K32 F33 I34L19-Y30 HydrophobicContact CB-CE2 4.17Å; L19-Y30 HydrophobicContact CD2-CE2 4.17Å; L22-Y30 HydrophobicContact CB-CD2 4.41Å; L22-Y30 HydrophobicContact CD2-CD2 4.26Å; L22-Y30 HydrophobicContact CG-CD2 4.47Å; A23-Y30 HydrophobicContact CB-CD1 4.21Å; A23-Y30 HydrophobicContact CB-CD2 4.07Å; A23-Y30 HydrophobicContact CB-CE1 4.49Å; A23-Y30 HydrophobicContact CB-CE2 4.37Å; A23-Y30 HydrophobicContact CB-CG 3.99Å; D26-Y30 PolarHBondContact O-N 3.1Å; Y30-K32 PolarHBondContact O-N 2.76Å; Y30-F33 WeakPolarHBondContact O-CB 3.3Å; Y30-F33 PolarHBondContact O-N 3.43Å; Y30-I34 HydrophobicContact CD1-CG1 4.28Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CG1 3.84Å; Y30-I34 HydrophobicContact CE2-CD1 3.95Å; Y30-I34 HydrophobicContact CE2-CG1 3.83Å; Y30-I34 HydrophobicContact CG-CG1 4.49Å; Y30-I34 WeakPolarHBondContact O-CG1 3.47Å; Y30-I34 PolarHBondContact O-N 2.85Å
31E80.1Confident79Confident111 Ų11185.5 Ų85.552%0.51944%0.438SS..Hα-helixtrans-59.8-48.1178.7-176.1178.3-174.200111.6P27 E28 F33 I34 Q35P27-E31 WeakPolarHBondContact O-CB 3.4Å; P27-E31 PolarHBondContact O-N 2.74Å; E28-E31 PolarHBondContact O-N 2.75Å; E31-F33 VanDerWaalsContact C-N 3.3Å; E31-F33 PolarHBondContact O-N 3.07Å; E31-I34 PolarHBondContact O-N 2.88Å; E31-Q35 HydrophobicContact CG-CG 4.34Å; E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 VanDerWaalsContact O-CG 3.27Å; E31-Q35 WeakPolarHBondContact O-CG 3.29Å; E31-Q35 PolarHBondContact O-N 2.84Å; E31-Q35 PolarHBondContact OE1-NE2 3.32Å
32K82.3Confident78.3Confident132 Ų13288.5 Ų88.557%0.57445%0.447SS*.Hα-helixtrans-59.8-41.2176.8-74.8168.9-173.5157.60111.7E28 G29 Y30 Q36E28-K32 WeakPolarHBondContact O-CB 3.4Å; E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.02Å; G29-K32 PolarHBondContact O-N 3.5Å; Y30-K32 PolarHBondContact O-N 2.76Å; K32-Q36 WeakPolarHBondContact O-CB 3.23Å; K32-Q36 PolarHBondContact O-N 3.33Å
33F78.9Confident77.4Confident60 Ų6093.2 Ų93.226%0.26347%0.468SS..Hα-helixtrans-61.5-51.6177176.1-95000111.5L19 L22 G29 Y30 E31 Q35 Q36 Q37L19-F33 HydrophobicContact CD2-CD1 3.98Å; L19-F33 HydrophobicContact CD2-CE1 3.63Å; L19-F33 HydrophobicContact CD2-CZ 4.48Å; L22-F33 HydrophobicContact CD2-CB 4.31Å; G29-F33 WeakPolarHBondContact O-CB 3.37Å; G29-F33 PolarHBondContact O-N 3.14Å; Y30-F33 WeakPolarHBondContact O-CB 3.3Å; Y30-F33 PolarHBondContact O-N 3.43Å; E31-F33 VanDerWaalsContact C-N 3.3Å; E31-F33 PolarHBondContact O-N 3.07Å; F33-Q35 PolarHBondContact O-N 3.08Å; F33-Q36 PolarHBondContact O-N 3.24Å; F33-Q37 HydrophobicContact CD1-CG 4.28Å; F33-Q37 HydrophobicContact CE1-CG 3.82Å; F33-Q37 HydrophobicContact CE2-CG 4.16Å; F33-Q37 HydrophobicContact CZ-CG 3.76Å; F33-Q37 WeakPolarHBondContact O-CG 3.18Å; F33-Q37 PolarHBondContact O-N 2.9Å
34I81Confident76.3Confident52 Ų5295.3 Ų95.327%0.26747%0.473SS..Hα-helixtrans-62.3-43.4179-63.5-61.2000111.1Y30 E31 Q36 Q37 L38Y30-I34 HydrophobicContact CD1-CG1 4.28Å; Y30-I34 HydrophobicContact CD2-CG1 4.29Å; Y30-I34 HydrophobicContact CE1-CG1 3.84Å; Y30-I34 HydrophobicContact CE2-CD1 3.95Å; Y30-I34 HydrophobicContact CE2-CG1 3.83Å; Y30-I34 HydrophobicContact CG-CG1 4.49Å; Y30-I34 WeakPolarHBondContact O-CG1 3.47Å; Y30-I34 PolarHBondContact O-N 2.85Å; E31-I34 PolarHBondContact O-N 2.88Å; I34-Q36 VanDerWaalsContact C-N 3.32Å; I34-Q36 PolarHBondContact O-N 2.97Å; I34-Q37 PolarHBondContact O-N 3.13Å; I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 HydrophobicContact CG2-CG 4.23Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.24Å; I34-L38 PolarHBondContact O-N 2.94Å
35Q77.9Confident75.6Confident105 Ų10591.4 Ų91.449%0.49146%0.464SS..Hα-helixtrans-60.6-41.3176.6-73.7-178.77.800112.1E31 F33 L38 K39E31-Q35 HydrophobicContact CG-CG 4.34Å; E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 VanDerWaalsContact O-CG 3.27Å; E31-Q35 WeakPolarHBondContact O-CG 3.29Å; E31-Q35 PolarHBondContact O-N 2.84Å; E31-Q35 PolarHBondContact OE1-NE2 3.32Å; F33-Q35 PolarHBondContact O-N 3.08Å; Q35-L38 PolarHBondContact O-N 3.36Å; Q35-K39 WeakPolarHBondContact O-CB 3.37Å; Q35-K39 PolarHBondContact O-N 3.42Å
36Q75.3Confident75.3Confident86 Ų8688.3 Ų88.340%0.40244%0.444SS..Hα-helixtrans-64-45.4175.6-175.962.624.900111.2K32 F33 I34 L38 K39 E40K32-Q36 WeakPolarHBondContact O-CB 3.23Å; K32-Q36 PolarHBondContact O-N 3.33Å; F33-Q36 PolarHBondContact O-N 3.24Å; I34-Q36 VanDerWaalsContact C-N 3.32Å; I34-Q36 PolarHBondContact O-N 2.97Å; Q36-L38 PolarHBondContact O-N 3.43Å; Q36-K39 WeakPolarHBondContact O-CB 3.47Å; Q36-K39 PolarHBondContact O-N 3.19Å; Q36-E40 PolarHBondContact NE2-OE1 2.91Å; Q36-E40 WeakPolarHBondContact O-CG 3.45Å; Q36-E40 PolarHBondContact O-N 3.41Å
37Q73.8Confident75.4Confident59 Ų5988.8 Ų88.828%0.27645%0.446SS..Hα-helixtrans-63.4-39.5176.9-69.6-54.3-64.200112.5F33 I34 K39 E40 G41F33-Q37 HydrophobicContact CD1-CG 4.28Å; F33-Q37 HydrophobicContact CE1-CG 3.82Å; F33-Q37 HydrophobicContact CE2-CG 4.16Å; F33-Q37 HydrophobicContact CZ-CG 3.76Å; F33-Q37 WeakPolarHBondContact O-CG 3.18Å; F33-Q37 PolarHBondContact O-N 2.9Å; I34-Q37 PolarHBondContact O-N 3.13Å; Q37-K39 VanDerWaalsContact C-N 3.34Å; Q37-E40 PolarHBondContact NE2-OE2 2.54Å; Q37-G41 WeakPolarHBondContact O-CA 3.43Å; Q37-G41 PolarHBondContact O-N 2.88Å
38L73.3Confident75.7Confident122 Ų12284.8 Ų84.864%0.63942%0.421SS*.Hα-helixtrans-65.3-38.3174.2-72173000111.8I34 Q35 Q36 K42I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 HydrophobicContact CG2-CG 4.23Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.24Å; I34-L38 PolarHBondContact O-N 2.94Å; Q35-L38 PolarHBondContact O-N 3.36Å; Q36-L38 PolarHBondContact O-N 3.43Å; L38-K42 WeakPolarHBondContact O-CB 3.43Å; L38-K42 PolarHBondContact O-N 3.21Å
39K71.8Confident76.2Confident142 Ų14283.9 Ų83.962%0.61742%0.416SS*.Hα-helixtrans-66.6-44.9177.4-176.5179.6177.8-175.20111.8Q35 Q36 Q37Q35-K39 WeakPolarHBondContact O-CB 3.37Å; Q35-K39 PolarHBondContact O-N 3.42Å; Q36-K39 WeakPolarHBondContact O-CB 3.47Å; Q36-K39 PolarHBondContact O-N 3.19Å; Q37-K39 VanDerWaalsContact C-N 3.34Å
40E62.7Low77Confident70 Ų7084.1 Ų84.133%0.32742%0.415SS..Hα-helixtrans-66.7-45.7175.5-71.1174.2-175.500111.2Q36 Q37 K42 Q43Q36-E40 PolarHBondContact NE2-OE1 2.91Å; Q36-E40 WeakPolarHBondContact O-CG 3.45Å; Q36-E40 PolarHBondContact O-N 3.41Å; Q37-E40 PolarHBondContact NE2-OE2 2.54Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 3.09Å; E40-Q43 PolarHBondContact O-N 2.88Å
41G62.9Low77.7Confident25 Ų2583 Ų8326%0.25841%0.413SS..Hα-helixtrans-61-33.7177.200000113.3Q37 Q43 L44 C45Q37-G41 WeakPolarHBondContact O-CA 3.43Å; Q37-G41 PolarHBondContact O-N 2.88Å; G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3Å; G41-L44 PolarHBondContact O-N 2.96Å; G41-L44 VanDerWaalsContact O-N 3.13Å; G41-C45 WeakPolarHBondContact O-CB 3.38Å; G41-C45 PolarHBondContact O-N 2.84Å; G41-C45 PolarHBondContact O-SG 2.93Å; G41-C45 VanDerWaalsContact O-SG 3.32Å
42K68.5Low78.4Confident163 Ų16378.4 Ų78.471%0.70939%0.392SS*.Hα-helixtrans-58.7-37.2176.5-173.1176.5179.8179.50112.7L38 E40 A46L38-K42 WeakPolarHBondContact O-CB 3.43Å; L38-K42 PolarHBondContact O-N 3.21Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 3.09Å; K42-A46 PolarHBondContact O-N 3.25Å
43Q60.5Low79.1Confident137 Ų13772.1 Ų72.164%0.6436%0.364SS*.Hα-helixtrans-72.7-33.2177.7-68.4-174.4-1.700112.5E40 G41 A46 T74E40-Q43 PolarHBondContact O-N 2.88Å; G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3Å; Q43-A46 WeakPolarHBondContact O-CB 3.48Å; Q43-T74 PolarHBondContact O-OG1 2.74Å; Q43-T74 VanDerWaalsContact O-OG1 3.13Å
44L61.6Low80Confident82 Ų8269.3 Ų69.343%0.42935%0.352SS..Hα-helixtrans-74.2-29.7175.4-67.8170.3000112.5G41G41-L44 PolarHBondContact O-N 2.96Å; G41-L44 VanDerWaalsContact O-N 3.13Å
45C69.3Low80.8Confident88 Ų8870.3 Ų70.360%0.59536%0.355SS*.SBendtrans-84.3-8.7178.3-71.80000113.9G41 K163G41-C45 WeakPolarHBondContact O-CB 3.38Å; G41-C45 PolarHBondContact O-N 2.84Å; G41-C45 PolarHBondContact O-SG 2.93Å; G41-C45 VanDerWaalsContact O-SG 3.32Å; C45-K163 PolarHBondContact O-NZ 3.18Å
46A81.8Confident81.7Confident32 Ų3265.8 Ų65.826%0.26434%0.335SS..PPolyproline II helixtrans-54.9145.7179.100000111.4K42 Q43 W73K42-A46 PolarHBondContact O-N 3.25Å; Q43-A46 WeakPolarHBondContact O-CB 3.48Å; A46-W73 PolarHBondContact O-NE1 3.47Å
47D88.5Confident82.8Confident85 Ų8568.2 Ų68.246%0.45534%0.34SS..PPolyproline II helixtrans-79.5150.6175.7-67.4-24.4000110.6I159 K163D47-I159 HydrophobicContact CB-CG2 4.12Å; D47-K163 WeakPolarHBondContact OD1-CD 3.39Å; D47-K163 WeakPolarHBondContact OD1-CE 3.29Å; D47-K163 IonicContact OD1-NZ 2.88Å; D47-K163 PolarHBondContact OD1-NZ 3.47Å
48P94.3Very high83.9Confident1 Ų165.6 Ų65.61%0.00633%0.328CS..PPolyproline II helixtrans-66.3138.116729-33.6000110C71 W73 M162 K163 L166P48-C71 HydrophobicContact CB-CB 4.26Å; P48-W73 HydrophobicContact CB-CB 4.25Å; P48-W73 HydrophobicContact CB-CD2 4.27Å; P48-W73 HydrophobicContact CB-CG 4.07Å; P48-M162 HydrophobicContact CB-CG 4.22Å; P48-M162 HydrophobicContact CB-SD 3.9Å; P48-M162 HydrophobicContact CG-CB 4.5Å; P48-M162 HydrophobicContact CG-CG 3.79Å; P48-M162 HydrophobicContact CG-SD 3.9Å; P48-K163 HydrophobicContact CG-CB 3.95Å; P48-L166 HydrophobicContact CB-CD1 3.99Å; P48-L166 HydrophobicContact CG-CD1 4.19Å
49E96Very high84.9Confident111 Ų11163.6 Ų63.652%0.51932%0.318SS..EExtended strand (participates in β ladder)trans-105115179.9-69.6-178.4-172.100110.5Q51 C71 Q72E49-Q51 PolarHBondContact O-N 3.21Å; E49-C71 CarbonylContact O-C 3.16Å; E49-C71 VanDerWaalsContact O-CA 3.26Å; E49-C71 WeakPolarHBondContact O-CA 3.33Å; E49-C71 VanDerWaalsContact O-CB 3.27Å; E49-C71 WeakPolarHBondContact O-CB 3.32Å; E49-Q72 HydrophobicContact CB-CG 3.72Å; E49-Q72 PolarHBondContact N-O 3.47Å; E49-Q72 PolarHBondContact O-N 2.72Å; E49-Q72 PolarHBondContact OE2-NE2 2.76Å
50P96.5Very high86Confident22 Ų2263.3 Ų63.314%0.14332%0.317CS..EExtended strand (participates in β ladder)trans-66.5133.6-177.7-21.933.7000113.1R154 I155 I159 M162P50-R154 HydrophobicContact CB-CB 4.37Å; P50-I155 HydrophobicContact CB-CB 3.91Å; P50-I155 HydrophobicContact CB-CG2 4.47Å; P50-I155 HydrophobicContact CG-CB 4.05Å; P50-I155 HydrophobicContact CG-CD1 3.83Å; P50-I155 HydrophobicContact CG-CG1 4.42Å; P50-I155 HydrophobicContact CG-CG2 4.36Å; P50-I159 HydrophobicContact CG-CG1 4.03Å; P50-M162 HydrophobicContact CB-CE 4.41Å; P50-M162 HydrophobicContact CG-CE 4.2Å; P50-M162 HydrophobicContact CG-SD 4.12Å
51Q95Very high87.5Confident58 Ų5865.2 Ų65.227%0.27134%0.335SS..EExtended strand (participates in β ladder)trans-107.7-51.9-179.1-71.5-66.8-30.400111.6E49 L70 Q72 L115E49-Q51 PolarHBondContact O-N 3.21Å; Q51-L70 WeakPolarHBondContact CB-O 3.32Å; Q51-L70 PolarHBondContact N-O 3.18Å; Q51-Q72 HydrophobicContact CG-CB 4.4Å; Q51-Q72 HydrophobicContact CG-CG 4.32Å; Q51-Q72 VanDerWaalsContact NE2-CD 3.25Å; Q51-L115 HydrophobicContact CG-CD1 4.14Å
52L94.8Very high88.8Confident15 Ų1571 Ų718%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-153.6159.5176.965.885.1000111L54 L70 I150 R154L52-L54 HydrophobicContact CD1-CD1 4.39Å; L52-L54 HydrophobicContact CD1-CD2 3.43Å; L52-L54 VanDerWaalsContact CD1-CD2 3.43Å; L52-L54 HydrophobicContact CD1-CG 3.6Å; L52-L70 HydrophobicContact CD1-CB 4.08Å; L52-L70 HydrophobicContact CD1-CD1 3.73Å; L52-L70 HydrophobicContact CD1-CG 3.84Å; L52-L70 HydrophobicContact CD2-CD1 4.39Å; L52-L70 HydrophobicContact CG-CB 4.09Å; L52-L70 HydrophobicContact CG-CD1 4.16Å; L52-L70 HydrophobicContact CG-CG 4.35Å; L52-L70 PolarHBondContact N-O 2.78Å; L52-L70 PolarHBondContact O-N 3.41Å; L52-I150 HydrophobicContact CB-CG2 4.37Å; L52-R154 CarbonylContact C-O 3.59Å
53C97.3Very high90Very high0 Ų069.6 Ų69.60%035%0.349CS..EExtended strand (participates in β ladder)trans-120.9134.4170.7171.70000109.5I68 N69 T151 F153 R154C53-I68 WeakPolarHBondContact CA-O 3.38Å; C53-N69 PolarHBondContact SG-OD1 3.39Å; C53-T151 VanDerWaalsContact CB-OG1 3.25Å; C53-T151 WeakPolarHBondContact CB-OG1 3.2Å; C53-T151 PolarHBondContact O-N 2.85Å; C53-T151 PolarHBondContact O-OG1 3.49Å; C53-F153 HydrophobicContact CB-CD2 4.11Å; C53-F153 HydrophobicContact CB-CE2 4Å; C53-F153 VanDerWaalsContact SG-CE2 3.53Å; C53-R154 PolarHBondContact N-O 2.98Å
54L97.8Very high91.6Very high0 Ų065.8 Ų65.80%033%0.33CS..EExtended strand (participates in β ladder)trans-103140.1175.8-52.9173.4000108.7L52 F67 I68 L70 I129 Y148 H149 I150L52-L54 HydrophobicContact CD1-CD1 4.39Å; L52-L54 HydrophobicContact CD1-CD2 3.43Å; L52-L54 VanDerWaalsContact CD1-CD2 3.43Å; L52-L54 HydrophobicContact CD1-CG 3.6Å; L54-F67 CarbonylContact O-C 3.52Å; L54-F67 WeakPolarHBondContact O-CA 3.42Å; L54-I68 HydrophobicContact CB-CB 4.18Å; L54-I68 HydrophobicContact CD1-CB 4.31Å; L54-I68 PolarHBondContact N-O 2.94Å; L54-I68 PolarHBondContact O-N 3.23Å; L54-L70 HydrophobicContact CD1-CD1 4.45Å; L54-I129 HydrophobicContact CD1-CB 4.35Å; L54-I129 HydrophobicContact CD1-CG1 4.17Å; L54-I129 HydrophobicContact CD1-CG2 3.5Å; L54-I129 VanDerWaalsContact CD1-CG2 3.5Å; L54-I129 HydrophobicContact CD2-CD1 4.05Å; L54-I129 HydrophobicContact CD2-CG1 4.38Å; L54-I129 HydrophobicContact CD2-CG2 4.42Å; L54-Y148 HydrophobicContact CD2-CD2 3.91Å; L54-Y148 HydrophobicContact CD2-CE2 4.23Å; L54-H149 CarbonylContact C-O 3.57Å; L54-H149 WeakPolarHBondContact CA-O 3.23Å; L54-I150 HydrophobicContact CD2-CG1 3.75Å
55Q97.4Very high93.2Very high74 Ų7464.2 Ų64.235%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-111.1124.3165.4-174.1179.7-21.500108.8I65 L66 F67 Y148 H149 T151Q55-I65 HydrophobicContact CG-CG2 4.19Å; Q55-L66 WeakPolarHBondContact CA-O 3.37Å; Q55-F67 HydrophobicContact CB-CD1 3.96Å; Q55-F67 HydrophobicContact CB-CE1 3.71Å; Q55-F67 HydrophobicContact CG-CD1 4.14Å; Q55-F67 HydrophobicContact CG-CE1 3.61Å; Q55-F67 HydrophobicContact CG-CZ 3.95Å; Q55-Y148 WeakPolarHBondContact O-CA 3.37Å; Q55-H149 PolarHBondContact N-O 3Å; Q55-H149 PolarHBondContact O-N 3.44Å; Q55-T151 HydrophobicContact CB-CG2 3.86Å
56T97.2Very high94.6Very high10 Ų1060 Ų606%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-143.5-164.5176.1-171.60000109.4L66 I68 M133 S145 S147T56-L66 HydrophobicContact CG2-CB 4.08Å; T56-L66 HydrophobicContact CG2-CD2 3.94Å; T56-L66 HydrophobicContact CG2-CG 4.16Å; T56-L66 PolarHBondContact N-O 3.31Å; T56-L66 PolarHBondContact O-N 3.33Å; T56-I68 HydrophobicContact CG2-CD1 4.11Å; T56-M133 HydrophobicContact CG2-CE 4.32Å; T56-S145 PolarHBondContact OG1-O 3.12Å; T56-S145 VanDerWaalsContact OG1-O 3.08Å; T56-S147 PolarHBondContact OG1-O 2.74Å
57R96.9Very high95.3Very high136 Ų13659.3 Ų59.351%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-128.8139.8175.4-74.6-177.5-102.6-112.50.5110.9L59 K64 L144 S145R57-L59 HydrophobicContact CB-CD2 4.4Å; R57-K64 CarbonylContact C-O 3.56Å; R57-K64 VanDerWaalsContact CA-O 3.27Å; R57-K64 WeakPolarHBondContact CA-O 3.3Å; R57-L144 CarbonylContact O-C 3.56Å; R57-L144 WeakPolarHBondContact O-CA 3.29Å; R57-S145 PolarHBondContact O-N 2.89Å
58I97Very high95.8Very high4 Ų455.2 Ų55.22%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-76.7127157-61.9163.8000105.8K60 E63 K64 L66 F142 L144I58-K60 WeakPolarHBondContact CG2-O 3.46Å; I58-E63 VanDerWaalsContact O-CA 3.24Å; I58-E63 WeakPolarHBondContact O-CA 3.45Å; I58-K64 HydrophobicContact CB-CB 4.49Å; I58-K64 HydrophobicContact CD1-CB 4.47Å; I58-K64 PolarHBondContact N-O 3.27Å; I58-K64 PolarHBondContact O-N 2.93Å; I58-K64 VanDerWaalsContact O-N 3.13Å; I58-L66 HydrophobicContact CD1-CB 4.34Å; I58-L66 HydrophobicContact CD1-CD1 4.43Å; I58-L66 HydrophobicContact CD1-CD2 4.44Å; I58-L66 HydrophobicContact CG1-CB 4.02Å; I58-L66 HydrophobicContact CG1-CD2 3.94Å; I58-L66 HydrophobicContact CG1-CG 4.44Å; I58-F142 HydrophobicContact CD1-CD2 3.91Å; I58-F142 HydrophobicContact CD1-CE2 3.74Å; I58-F142 HydrophobicContact CD1-CZ 4.29Å; I58-F142 HydrophobicContact CG1-CD2 4.13Å; I58-F142 HydrophobicContact CG1-CE2 4.47Å; I58-F142 HydrophobicContact CG2-CB 4.42Å; I58-F142 HydrophobicContact CG2-CD1 4.49Å; I58-F142 HydrophobicContact CG2-CG 4.26Å; I58-L144 HydrophobicContact CB-CD2 4.29Å; I58-L144 HydrophobicContact CG1-CD2 3.65Å
59L96Very high96Very high81 Ų8155.2 Ų55.242%0.42426%0.262SS..EExtended strand (participates in β ladder)trans-94.2-37.5175.9-58.1179.9000111.3R57 T143R57-L59 HydrophobicContact CB-CD2 4.4Å; L59-T143 WeakPolarHBondContact CA-O 3.48Å; L59-T143 HydrophobicContact CB-CG2 4.42Å; L59-T143 WeakPolarHBondContact CB-O 3.46Å; L59-T143 HydrophobicContact CD1-CG2 4.5Å; L59-T143 PolarHBondContact N-O 3.13Å
60K94.2Very high96.1Very high136 Ų13650 Ų5059%0.59124%0.238SC*.EExtended strand (participates in β ladder)trans-136.1146.9175.5-62.3-177.8179.5178.90110.3I58 F142 T143I58-K60 WeakPolarHBondContact CG2-O 3.46Å; K60-F142 WeakPolarHBondContact O-CA 3.44Å; K60-T143 PolarHBondContact N-O 3.07Å; K60-T143 PolarHBondContact O-N 2.91Å
61P93.1Very high96.1Very high109 Ų10949 Ų4971%0.70823%0.231SC*.SBendcis-79.3-19.85.630.8-36.2000114.4
62K91.3Very high96.1Very high146 Ų14647.3 Ų47.364%0.63522%0.224SC*.SBendtrans-136.7133.8178.7-178.4175.4179.2177.80109.8K64K62-K64 PolarHBondContact O-N 3.13Å
63E93.8Very high96Very high134 Ų13446.9 Ų46.963%0.62622%0.221SC*.  trans-64121.8179-166.2173.1179.400111I58I58-E63 VanDerWaalsContact O-CA 3.24Å; I58-E63 WeakPolarHBondContact O-CA 3.45Å
64K93.8Very high95.6Very high58 Ų5850.5 Ų50.525%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-149.7147.8-179.2-71.3-175.7175.71790110.6R57 I58 K62 D95R57-K64 CarbonylContact C-O 3.56Å; R57-K64 VanDerWaalsContact CA-O 3.27Å; R57-K64 WeakPolarHBondContact CA-O 3.3Å; I58-K64 HydrophobicContact CB-CB 4.49Å; I58-K64 HydrophobicContact CD1-CB 4.47Å; I58-K64 PolarHBondContact N-O 3.27Å; I58-K64 PolarHBondContact O-N 2.93Å; I58-K64 VanDerWaalsContact O-N 3.13Å; K62-K64 PolarHBondContact O-N 3.13Å; K64-D95 IonicContact NZ-OD1 3.76Å; K64-D95 PolarHBondContact NZ-OD1 2.86Å; K64-D95 IonicContact NZ-OD2 2.68Å; K64-D95 PolarHBondContact NZ-OD2 3.03Å
65I95.8Very high95.1Very high49 Ų4954.2 Ų54.225%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-68.1134.3166.5-62174.5000108.1Q55 F67 Y103 T104Q55-I65 HydrophobicContact CG-CG2 4.19Å; I65-F67 HydrophobicContact CG2-CD2 4.32Å; I65-F67 HydrophobicContact CG2-CE2 3.82Å; I65-F67 HydrophobicContact CG2-CZ 4.26Å; I65-Y103 CarbonylContact O-C 3.58Å; I65-Y103 VanDerWaalsContact O-CA 3.3Å; I65-Y103 WeakPolarHBondContact O-CA 3.49Å; I65-T104 PolarHBondContact O-N 2.99Å
66L97.6Very high94.7Very high0 Ų051 Ų510%024%0.242CC..EExtended strand (participates in β ladder)trans-122.7128178.3173.163.7000110.1Q55 T56 I58 I68 T104 I106 L144Q55-L66 WeakPolarHBondContact CA-O 3.37Å; T56-L66 HydrophobicContact CG2-CB 4.08Å; T56-L66 HydrophobicContact CG2-CD2 3.94Å; T56-L66 HydrophobicContact CG2-CG 4.16Å; T56-L66 PolarHBondContact N-O 3.31Å; T56-L66 PolarHBondContact O-N 3.33Å; I58-L66 HydrophobicContact CD1-CB 4.34Å; I58-L66 HydrophobicContact CD1-CD1 4.43Å; I58-L66 HydrophobicContact CD1-CD2 4.44Å; I58-L66 HydrophobicContact CG1-CB 4.02Å; I58-L66 HydrophobicContact CG1-CD2 3.94Å; I58-L66 HydrophobicContact CG1-CG 4.44Å; L66-I68 HydrophobicContact CD1-CG1 4.33Å; L66-I68 HydrophobicContact CD2-CD1 3.92Å; L66-I68 HydrophobicContact CD2-CG1 3.83Å; L66-I68 HydrophobicContact CG-CD1 4.41Å; L66-I68 HydrophobicContact CG-CG1 3.83Å; L66-T104 WeakPolarHBondContact CA-O 2.92Å; L66-T104 HydrophobicContact CD1-CG2 4.11Å; L66-I106 HydrophobicContact CD1-CB 4.34Å; L66-I106 HydrophobicContact CD1-CD1 3.72Å; L66-I106 HydrophobicContact CD1-CG1 3.81Å; L66-I106 HydrophobicContact CD2-CD1 4.38Å; L66-L144 HydrophobicContact CD2-CD1 4.11Å; L66-L144 HydrophobicContact CD2-CD2 3.52Å; L66-L144 HydrophobicContact CD2-CG 4.46Å
67F98Very high94.2Very high16 Ų1654.7 Ų54.77%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-101.9127.6164.7-67.3-82.4000110L54 Q55 I65 Y103 T104 V105 I106 T151 F153 K156L54-F67 CarbonylContact O-C 3.52Å; L54-F67 WeakPolarHBondContact O-CA 3.42Å; Q55-F67 HydrophobicContact CB-CD1 3.96Å; Q55-F67 HydrophobicContact CB-CE1 3.71Å; Q55-F67 HydrophobicContact CG-CD1 4.14Å; Q55-F67 HydrophobicContact CG-CE1 3.61Å; Q55-F67 HydrophobicContact CG-CZ 3.95Å; I65-F67 HydrophobicContact CG2-CD2 4.32Å; I65-F67 HydrophobicContact CG2-CE2 3.82Å; I65-F67 HydrophobicContact CG2-CZ 4.26Å; F67-Y103 AromaticContact CD2-CD2 3.63Å; F67-Y103 HydrophobicContact CD2-CD2 3.63Å; F67-Y103 HydrophobicContact CD2-CE2 4.29Å; F67-Y103 AromaticContact CD2-CG 3.86Å; F67-Y103 HydrophobicContact CD2-CG 3.86Å; F67-Y103 HydrophobicContact CE2-CD1 4.22Å; F67-Y103 AromaticContact CE2-CD2 3.99Å; F67-Y103 HydrophobicContact CE2-CD2 3.99Å; F67-Y103 AromaticContact CE2-CG 3.79Å; F67-Y103 HydrophobicContact CE2-CG 3.79Å; F67-T104 PolarHBondContact N-O 3.34Å; F67-V105 HydrophobicContact CB-CG1 4.46Å; F67-V105 HydrophobicContact CB-CG2 4.34Å; F67-V105 CarbonylContact O-C 3.55Å; F67-V105 WeakPolarHBondContact O-CA 3.4Å; F67-I106 PolarHBondContact O-N 3.46Å; F67-T151 HydrophobicContact CD1-CG2 4.33Å; F67-T151 HydrophobicContact CE1-CG2 4.07Å; F67-F153 HydrophobicContact CD1-CE2 4.5Å; F67-F153 HydrophobicContact CD1-CZ 4.19Å; F67-F153 AromaticContact CE1-CZ 3.87Å; F67-F153 HydrophobicContact CE1-CZ 3.87Å; F67-K156 HydrophobicContact CB-CB 3.96Å; F67-K156 HydrophobicContact CB-CG 4.06Å; F67-K156 HydrophobicContact CD1-CD 4.48Å; F67-K156 HydrophobicContact CD1-CG 4.44Å; F67-K156 HydrophobicContact CD2-CD 4.28Å; F67-K156 HydrophobicContact CD2-CG 4.05Å; F67-K156 HydrophobicContact CE2-CD 4.41Å; F67-K156 HydrophobicContact CG-CB 4.18Å; F67-K156 HydrophobicContact CG-CD 4.31Å; F67-K156 HydrophobicContact CG-CG 3.92Å
68I98.4Very high93.8Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-113112175.2-52169.9000107.8C53 L54 T56 L66 L70 I106 V108 M133 I136 L144C53-I68 WeakPolarHBondContact CA-O 3.38Å; L54-I68 HydrophobicContact CB-CB 4.18Å; L54-I68 HydrophobicContact CD1-CB 4.31Å; L54-I68 PolarHBondContact N-O 2.94Å; L54-I68 PolarHBondContact O-N 3.23Å; T56-I68 HydrophobicContact CG2-CD1 4.11Å; L66-I68 HydrophobicContact CD1-CG1 4.33Å; L66-I68 HydrophobicContact CD2-CD1 3.92Å; L66-I68 HydrophobicContact CD2-CG1 3.83Å; L66-I68 HydrophobicContact CG-CD1 4.41Å; L66-I68 HydrophobicContact CG-CG1 3.83Å; I68-L70 HydrophobicContact CG2-CD2 3.96Å; I68-I106 CarbonylContact C-O 3.46Å; I68-I106 WeakPolarHBondContact CA-O 3.11Å; I68-V108 HydrophobicContact CG2-CG2 3.96Å; I68-M133 HydrophobicContact CD1-CG 3.93Å; I68-I136 HydrophobicContact CD1-CD1 3.76Å; I68-I136 HydrophobicContact CG1-CD1 4.02Å; I68-I136 HydrophobicContact CG2-CD1 3.8Å; I68-L144 HydrophobicContact CD1-CD1 4.4Å
69N98.3Very high93.3Very high0 Ų052.3 Ų52.30%027%0.272CS..EExtended strand (participates in β ladder)trans-86.6119.6173.4-62.7-39.6000109.2C53 V105 I106 D107 V108 K156 M162C53-N69 PolarHBondContact SG-OD1 3.39Å; N69-V105 WeakPolarHBondContact ND2-CG1 3.3Å; N69-I106 PolarHBondContact N-O 3.19Å; N69-D107 VanDerWaalsContact CB-OD1 3.32Å; N69-D107 WeakPolarHBondContact CB-OD1 3.44Å; N69-D107 PolarHBondContact ND2-OD1 2.93Å; N69-V108 PolarHBondContact O-N 3.25Å; N69-K156 PolarHBondContact ND2-O 3.48Å; N69-K156 PolarHBondContact OD1-N 2.93Å; N69-M162 HydrophobicContact CB-CE 3.45Å; N69-M162 VanDerWaalsContact CB-CE 3.45Å
70L97.2Very high92.8Very high2 Ų256.5 Ų56.51%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-97.6128.2169.7-57.8-171.5000109.4Q51 L52 L54 I68 V108 Y110 I129 A132Q51-L70 WeakPolarHBondContact CB-O 3.32Å; Q51-L70 PolarHBondContact N-O 3.18Å; L52-L70 HydrophobicContact CD1-CB 4.08Å; L52-L70 HydrophobicContact CD1-CD1 3.73Å; L52-L70 HydrophobicContact CD1-CG 3.84Å; L52-L70 HydrophobicContact CD2-CD1 4.39Å; L52-L70 HydrophobicContact CG-CB 4.09Å; L52-L70 HydrophobicContact CG-CD1 4.16Å; L52-L70 HydrophobicContact CG-CG 4.35Å; L52-L70 PolarHBondContact N-O 2.78Å; L52-L70 PolarHBondContact O-N 3.41Å; L54-L70 HydrophobicContact CD1-CD1 4.45Å; I68-L70 HydrophobicContact CG2-CD2 3.96Å; L70-V108 WeakPolarHBondContact CA-O 3.05Å; L70-V108 HydrophobicContact CD2-CB 3.63Å; L70-V108 HydrophobicContact CD2-CG1 4.08Å; L70-V108 HydrophobicContact CD2-CG2 4.18Å; L70-Y110 HydrophobicContact CD2-CE2 4.35Å; L70-I129 HydrophobicContact CD1-CG1 3.9Å; L70-A132 HydrophobicContact CD2-CB 3.91Å
71C96.7Very high92.3Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-131159.7178.567.10000111.8P48 E49 V108 A109 Y110 L115 M162 L166P48-C71 HydrophobicContact CB-CB 4.26Å; E49-C71 CarbonylContact O-C 3.16Å; E49-C71 VanDerWaalsContact O-CA 3.26Å; E49-C71 WeakPolarHBondContact O-CA 3.33Å; E49-C71 VanDerWaalsContact O-CB 3.27Å; E49-C71 WeakPolarHBondContact O-CB 3.32Å; C71-V108 PolarHBondContact N-O 3.09Å; C71-V108 PolarHBondContact SG-O 3.48Å; C71-A109 WeakPolarHBondContact O-CA 3.41Å; C71-Y110 PolarHBondContact O-N 3.07Å; C71-L115 WeakPolarHBondContact O-CD1 3.44Å; C71-M162 HydrophobicContact CB-CE 4.13Å; C71-M162 HydrophobicContact CB-SD 3.63Å; C71-L166 VanDerWaalsContact SG-CD1 3.56Å
72Q95.5Very high91.6Very high23 Ų2352.5 Ų52.511%0.10729%0.288CS..EExtended strand (participates in β ladder)trans-98.7141.4166.866.3-176.113.100109.7E49 Q51 Y110 P112 L115E49-Q72 HydrophobicContact CB-CG 3.72Å; E49-Q72 PolarHBondContact N-O 3.47Å; E49-Q72 PolarHBondContact O-N 2.72Å; E49-Q72 PolarHBondContact OE2-NE2 2.76Å; Q51-Q72 HydrophobicContact CG-CB 4.4Å; Q51-Q72 HydrophobicContact CG-CG 4.32Å; Q51-Q72 VanDerWaalsContact NE2-CD 3.25Å; Q72-Y110 CarbonylContact C-O 3.59Å; Q72-Y110 WeakPolarHBondContact CA-O 3.49Å; Q72-P112 HydrophobicContact CB-CB 4.27Å; Q72-P112 HydrophobicContact CB-CG 4.14Å; Q72-P112 HydrophobicContact CG-CG 4.48Å; Q72-L115 HydrophobicContact CB-CD1 3.76Å
73W93.9Very high91.1Very high7 Ų751.5 Ų51.53%0.02730%0.295CS..  trans-151.1123.8179.3-165.422.5000111.5A46 P48 R75 I76 A109 Y110 L166 M167A46-W73 PolarHBondContact O-NE1 3.47Å; P48-W73 HydrophobicContact CB-CB 4.25Å; P48-W73 HydrophobicContact CB-CD2 4.27Å; P48-W73 HydrophobicContact CB-CG 4.07Å; W73-R75 HydrophobicContact CD2-CB 3.79Å; W73-R75 HydrophobicContact CE3-CB 4.22Å; W73-R75 HydrophobicContact CG-CB 4.14Å; W73-R75 HydrophobicContact CH2-CB 4.49Å; W73-R75 HydrophobicContact CZ2-CB 4.11Å; W73-R75 PolarHBondContact O-N 3.35Å; W73-R75 VanDerWaalsContact O-N 3.1Å; W73-I76 HydrophobicContact CB-CG1 4.25Å; W73-I76 HydrophobicContact CE3-CD1 4.31Å; W73-I76 WeakPolarHBondContact O-CB 3.46Å; W73-I76 PolarHBondContact O-N 2.9Å; W73-A109 HydrophobicContact CB-CB 4.21Å; W73-A109 HydrophobicContact CE3-CB 4.16Å; W73-Y110 PolarHBondContact N-O 3.5Å; W73-L166 HydrophobicContact CE3-CB 4.16Å; W73-L166 HydrophobicContact CE3-CD1 4.24Å; W73-L166 HydrophobicContact CH2-CB 4.26Å; W73-L166 HydrophobicContact CZ3-CB 3.56Å; W73-L166 HydrophobicContact CZ3-CD1 4.43Å; W73-M167 HydrophobicContact CH2-CG 3.53Å; W73-M167 HydrophobicContact CZ2-CG 4.06Å
74T88.9Confident90.6Very high75 Ų7549.2 Ų49.246%0.4628%0.284SS..THydrogen-bonded Turntrans-62.5-17.1-178.248.90000113.5Q43 I76 P112Q43-T74 PolarHBondContact O-OG1 2.74Å; Q43-T74 VanDerWaalsContact O-OG1 3.13Å; T74-I76 PolarHBondContact O-N 3.41Å; T74-P112 HydrophobicContact CG2-CG 4.06Å
75R85.9Confident90.2Very high79 Ų7951.9 Ų51.930%0.29831%0.307SS..THydrogen-bonded Turntrans-68.7-23.1173.8-167.2172.2-173.2174.13.8112.8W73 E183W73-R75 HydrophobicContact CD2-CB 3.79Å; W73-R75 HydrophobicContact CE3-CB 4.22Å; W73-R75 HydrophobicContact CG-CB 4.14Å; W73-R75 HydrophobicContact CH2-CB 4.49Å; W73-R75 HydrophobicContact CZ2-CB 4.11Å; W73-R75 PolarHBondContact O-N 3.35Å; W73-R75 VanDerWaalsContact O-N 3.1Å; R75-E183 IonicContact NH2-OE1 2.66Å; R75-E183 IonicContact NH2-OE2 2.71Å
76I88.7Confident90Very high6 Ų651.7 Ų51.73%0.03131%0.308CS..SBendtrans-78.9127.1177.4-51.5-55.1000108.5W73 T74 P87 T89 A109 N111W73-I76 HydrophobicContact CB-CG1 4.25Å; W73-I76 HydrophobicContact CE3-CD1 4.31Å; W73-I76 WeakPolarHBondContact O-CB 3.46Å; W73-I76 PolarHBondContact O-N 2.9Å; T74-I76 PolarHBondContact O-N 3.41Å; I76-P87 HydrophobicContact CG2-CB 4.17Å; I76-T89 VanDerWaalsContact CD1-OG1 3.26Å; I76-T89 WeakPolarHBondContact CD1-OG1 3.49Å; I76-A109 HydrophobicContact CD1-CB 4Å; I76-A109 HydrophobicContact CG1-CB 3.85Å; I76-N111 HydrophobicContact CB-CB 4.26Å; I76-N111 HydrophobicContact CG2-CB 4.23Å; I76-N111 WeakPolarHBondContact O-CB 3.49Å; I76-N111 PolarHBondContact O-ND2 2.9Å
77P86.4Confident89.6Confident87 Ų8753.5 Ų53.557%0.56532%0.32SS*.PPolyproline II helixtrans-63.7143.217926.3-33.9000111P87P77-P87 HydrophobicContact CG-CB 4.07Å; P77-P87 HydrophobicContact CG-CG 4.29Å
78A88.4Confident89.5Confident46 Ų4654.4 Ų54.438%0.3833%0.326SS..PPolyproline II helixtrans-68.6148.7172.800000110.6N111A78-N111 PolarHBondContact N-ND2 3.37Å
79P87.6Confident89.2Confident44 Ų4456.9 Ų56.929%0.28634%0.341SS..PPolyproline II helixtrans-62.7139.5172.227.1-34000110.4S81 V114P79-S81 VanDerWaalsContact C-N 3.32Å; P79-S81 PolarHBondContact O-N 3.43Å; P79-V114 HydrophobicContact CG-CG2 3.88Å
80Q84.6Confident89.1Confident169 Ų16957.6 Ų57.679%0.7935%0.345SS*.SBendtrans-69.3-29.9-176.7-64.3178.61.500112.9
81S84.3Confident89Confident48 Ų4857.7 Ų57.734%0.33635%0.346SS..SBendtrans-159.4174.7170.7850000110.6P79 T83 H84P79-S81 VanDerWaalsContact C-N 3.32Å; P79-S81 PolarHBondContact O-N 3.43Å; S81-T83 PolarHBondContact O-N 2.9Å; S81-T83 VanDerWaalsContact O-N 3.17Å; S81-T83 PolarHBondContact OG-N 3.13Å; S81-T83 PolarHBondContact OG-OG1 3.08Å; S81-H84 PolarHBondContact O-N 3.18Å; S81-H84 PolarHBondContact OG-CE1 3.17Å; S81-H84 PolarHBondContact OG-ND1 3.25Å
82A78.9Confident88.9Confident113 Ų11362.9 Ų62.993%0.93437%0.369SS*.THydrogen-bonded Turntrans-63.3-17177.500000114.8
83T80.6Confident88.9Confident126 Ų12663.9 Ų63.977%0.77338%0.378SS*.THydrogen-bonded Turntrans-98.3-10.3179.858.10000112.9S81S81-T83 PolarHBondContact O-N 2.9Å; S81-T83 VanDerWaalsContact O-N 3.17Å; S81-T83 PolarHBondContact OG-N 3.13Å; S81-T83 PolarHBondContact OG-OG1 3.08Å
84H82.9Confident88.9Confident86 Ų8666.7 Ų66.740%0.39839%0.391SS..SBendtrans-83.6150.8178.5-71.685.4000110.9S81 V86S81-H84 PolarHBondContact O-N 3.18Å; S81-H84 PolarHBondContact OG-CE1 3.17Å; S81-H84 PolarHBondContact OG-ND1 3.25Å; H84-V86 PolarHBondContact O-N 2.96Å
85P85.9Confident89.1Confident113 Ų11368 Ų6873%0.73440%0.395SS*.PPolyproline II helixtrans-54.9140.8173.4-24.234000111.3P87P85-P87 VanDerWaalsContact O-CD 3.29Å; P85-P87 WeakPolarHBondContact O-CD 3.42Å
86V90.6Very high89.1Confident45 Ų4566.8 Ų66.827%0.27340%0.396SS..PPolyproline II helixtrans-78.7117.8178.2174.90000109H84 Y110 V114 M131H84-V86 PolarHBondContact O-N 2.96Å; V86-Y110 HydrophobicContact CG1-CD1 3.99Å; V86-Y110 HydrophobicContact CG1-CE1 4.08Å; V86-V114 HydrophobicContact CG1-CB 4.37Å; V86-V114 HydrophobicContact CG1-CG1 3.56Å; V86-V114 HydrophobicContact CG1-CG2 3.92Å; V86-M131 HydrophobicContact CB-CE 3.87Å; V86-M131 HydrophobicContact CB-SD 4.16Å; V86-M131 HydrophobicContact CG1-CE 3.86Å
87P90.8Very high88.9Confident38 Ų3872.2 Ų72.225%0.24743%0.43CS..PPolyproline II helixtrans-67.2138.4175.8-1933.6000111I76 P77 P85I76-P87 HydrophobicContact CG2-CB 4.17Å; P77-P87 HydrophobicContact CG-CB 4.07Å; P77-P87 HydrophobicContact CG-CG 4.29Å; P85-P87 VanDerWaalsContact O-CD 3.29Å; P85-P87 WeakPolarHBondContact O-CD 3.42Å
88L94Very high88.5Confident36 Ų3672.3 Ų72.319%0.18842%0.423CS..EExtended strand (participates in β ladder)trans-147.1156.6171.671.6100.7000110.2V90 V108 A109 Y110 M131 C135L88-V90 HydrophobicContact CD1-CG2 3.35Å; L88-V108 HydrophobicContact CD1-CG1 3.83Å; L88-A109 VanDerWaalsContact CA-O 3.29Å; L88-A109 WeakPolarHBondContact CA-O 3.28Å; L88-Y110 HydrophobicContact CB-CD1 3.69Å; L88-Y110 HydrophobicContact CB-CE1 3.43Å; L88-Y110 VanDerWaalsContact CB-CE1 3.43Å; L88-Y110 HydrophobicContact CD2-CE1 3.72Å; L88-Y110 HydrophobicContact CG-CE1 4.19Å; L88-M131 HydrophobicContact CD2-CE 3.87Å; L88-M131 HydrophobicContact CD2-CG 4.12Å; L88-M131 HydrophobicContact CD2-SD 4.35Å; L88-C135 HydrophobicContact CD1-CB 4.07Å; L88-C135 HydrophobicContact CD2-CB 4.49Å
89T93.8Very high87.2Confident52 Ų5276.3 Ų76.332%0.31944%0.443SS..EExtended strand (participates in β ladder)trans-119.4131.3173-66.60000109.1I76 V108 A109 L166I76-T89 VanDerWaalsContact CD1-OG1 3.26Å; I76-T89 WeakPolarHBondContact CD1-OG1 3.49Å; T89-V108 CarbonylContact O-C 3.52Å; T89-V108 VanDerWaalsContact O-CA 3.29Å; T89-V108 WeakPolarHBondContact O-CA 3.43Å; T89-A109 PolarHBondContact N-O 3.12Å; T89-A109 PolarHBondContact O-N 3.47Å; T89-L166 HydrophobicContact CG2-CD2 4.36Å
90V96.2Very high85.9Confident14 Ų1480.3 Ų80.39%0.08547%0.472CS..EExtended strand (participates in β ladder)trans-108.8121.9174.8-171.40000108.3L88 I106 V108 C135 I136 Q139 F140L88-V90 HydrophobicContact CD1-CG2 3.35Å; V90-I106 HydrophobicContact CG1-CG2 3.65Å; V90-V108 HydrophobicContact CG1-CG2 4.19Å; V90-V108 HydrophobicContact CG2-CG2 4.34Å; V90-C135 HydrophobicContact CG2-CB 4.17Å; V90-I136 HydrophobicContact CG1-CG1 3.66Å; V90-Q139 PolarHBondContact O-NE2 3.44Å; V90-F140 HydrophobicContact CG1-CE2 3.58Å; V90-F140 HydrophobicContact CG1-CZ 4.08Å
91G94.4Very high85.4Confident4 Ų477.1 Ų77.14%0.04146%0.46CS..PPolyproline II helixtrans-78.7168.5175.700000112.6D107 F140 N165G91-D107 PolarHBondContact N-O 3.2Å; G91-F140 WeakPolarHBondContact O-CZ 3.1Å; G91-N165 VanDerWaalsContact C-OD1 3.25Å; G91-N165 WeakPolarHBondContact CA-OD1 3.28Å
92K94.6Very high85.6Confident110 Ų11077.9 Ų77.948%0.47847%0.469SS..PPolyproline II helixtrans-68.7142.9-174.9-66.2177.7-179.3173.20111E94 N165 I169K92-E94 PolarHBondContact O-N 2.7Å; K92-N165 PolarHBondContact N-ND2 2.89Å; K92-N165 PolarHBondContact N-OD1 3.14Å; K92-N165 PolarHBondContact O-ND2 2.88Å; K92-N165 PolarHBondContact O-OD1 3.47Å; K92-I169 PolarHBondContact NZ-O 3.23Å
93P95.5Very high86.3Confident44 Ų4473.6 Ų73.629%0.28643%0.429SS..PPolyproline II helixtrans-65.3129.4172.4-16.330.6000110.7T104 I106 F140 F142P93-T104 HydrophobicContact CB-CG2 3.68Å; P93-I106 HydrophobicContact CB-CD1 4.07Å; P93-I106 HydrophobicContact CB-CG1 3.9Å; P93-I106 HydrophobicContact CG-CD1 3.99Å; P93-I106 HydrophobicContact CG-CG1 4.15Å; P93-F140 HydrophobicContact CG-CD1 3.92Å; P93-F140 HydrophobicContact CG-CD2 3.8Å; P93-F140 HydrophobicContact CG-CE1 4Å; P93-F140 HydrophobicContact CG-CE2 3.85Å; P93-F140 HydrophobicContact CG-CG 3.83Å; P93-F140 HydrophobicContact CG-CZ 3.98Å; P93-F142 HydrophobicContact CB-CE2 4.33Å; P93-F142 HydrophobicContact CB-CZ 4.5Å; P93-F142 HydrophobicContact CG-CE2 4.02Å; P93-F142 HydrophobicContact CG-CZ 4.22Å
94E94.3Very high87.1Confident65 Ų6567.7 Ų67.730%0.30439%0.393SS..EExtended strand (participates in β ladder)trans-119.7115.1178.4-69.6176.2-178.700110K92 T104 V105 R161 N165K92-E94 PolarHBondContact O-N 2.7Å; E94-T104 CarbonylContact O-C 3.5Å; E94-T104 WeakPolarHBondContact O-CA 3.25Å; E94-V105 PolarHBondContact N-O 3.13Å; E94-V105 PolarHBondContact O-N 3.49Å; E94-R161 VanDerWaalsContact CD-NH2 3.35Å; E94-R161 IonicContact OE2-CZ 3.26Å; E94-R161 IonicContact OE2-NE 2.7Å; E94-R161 PolarHBondContact OE2-NE 3Å; E94-R161 IonicContact OE2-NH2 3.23Å; E94-R161 PolarHBondContact OE2-NH2 2.88Å; E94-N165 VanDerWaalsContact CD-ND2 3.32Å; E94-N165 PolarHBondContact OE1-ND2 2.83Å
95D92.5Very high87.8Confident104 Ų10463.7 Ų63.756%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-75.4134.1173.8-74.3-30.6000110.2K64 T104K64-D95 IonicContact NZ-OD1 3.76Å; K64-D95 PolarHBondContact NZ-OD1 2.86Å; K64-D95 IonicContact NZ-OD2 2.68Å; K64-D95 PolarHBondContact NZ-OD2 3.03Å; D95-T104 PolarHBondContact OD1-OG1 2.84Å
96T86.4Confident88.3Confident52 Ų5258.3 Ų58.332%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-136.6147.6178.9-60.20000109.6A102 Y103T96-A102 WeakPolarHBondContact O-CA 3.49Å; T96-Y103 HydrophobicContact CG2-CE1 4.44Å; T96-Y103 HydrophobicContact CG2-CE2 3.98Å; T96-Y103 WeakPolarHBondContact CG2-OH 3.33Å; T96-Y103 PolarHBondContact N-O 3.43Å; T96-Y103 PolarHBondContact O-N 2.95Å; T96-Y103 VanDerWaalsContact O-O 3.09Å
97T83.9Confident88.7Confident121 Ų12156.2 Ų56.274%0.74233%0.327SS*.EExtended strand (participates in β ladder)trans-119.9119174.3540000109.3A102T97-A102 HydrophobicContact CG2-CB 4.16Å
98E77.9Confident89Confident88 Ų8854.4 Ų54.441%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-128.8124178.6-164.9179.4-177.900109.4S100 D101 Y103 K156E98-S100 PolarHBondContact O-N 2.83Å; E98-D101 PolarHBondContact N-O 3.44Å; E98-D101 PolarHBondContact O-N 3Å; E98-Y103 HydrophobicContact CB-CE1 3.69Å; E98-Y103 PolarHBondContact OE2-OH 3.2Å; E98-K156 IonicContact OE2-NZ 2.7Å; E98-K156 PolarHBondContact OE2-NZ 3.02Å
99T60.8Low89.2Confident130 Ų13052.7 Ų52.780%0.79831%0.306SS*.THydrogen-bonded Turntrans43.644.8170.953.10000114.2
100S60.2Low89.3Confident128 Ų12850.2 Ų50.290%0.89529%0.291SS*.THydrogen-bonded Turntrans89.1-11.5178.3-33.60000117.6E98E98-S100 PolarHBondContact O-N 2.83Å
101D74.5Confident89.2Confident103 Ų10350.2 Ų50.255%0.55129%0.291SS*.EExtended strand (participates in β ladder)trans-100.7126.9176.7-72.7-28.2000111.2E98E98-D101 PolarHBondContact N-O 3.44Å; E98-D101 PolarHBondContact O-N 3Å
102A89.2Confident89.2Confident63 Ų6350.8 Ų50.852%0.52129%0.294SS..EExtended strand (participates in β ladder)trans-92.9126.5171.500000109.7T96 T97T96-A102 WeakPolarHBondContact O-CA 3.49Å; T97-A102 HydrophobicContact CG2-CB 4.16Å
103Y94.4Very high89Confident23 Ų2350.2 Ų50.29%0.0930%0.296CS..EExtended strand (participates in β ladder)trans-140.2158.3177.958.4-95.6000111.1I65 F67 T96 E98 V105 K156I65-Y103 CarbonylContact O-C 3.58Å; I65-Y103 VanDerWaalsContact O-CA 3.3Å; I65-Y103 WeakPolarHBondContact O-CA 3.49Å; F67-Y103 AromaticContact CD2-CD2 3.63Å; F67-Y103 HydrophobicContact CD2-CD2 3.63Å; F67-Y103 HydrophobicContact CD2-CE2 4.29Å; F67-Y103 AromaticContact CD2-CG 3.86Å; F67-Y103 HydrophobicContact CD2-CG 3.86Å; F67-Y103 HydrophobicContact CE2-CD1 4.22Å; F67-Y103 AromaticContact CE2-CD2 3.99Å; F67-Y103 HydrophobicContact CE2-CD2 3.99Å; F67-Y103 AromaticContact CE2-CG 3.79Å; F67-Y103 HydrophobicContact CE2-CG 3.79Å; T96-Y103 HydrophobicContact CG2-CE1 4.44Å; T96-Y103 HydrophobicContact CG2-CE2 3.98Å; T96-Y103 WeakPolarHBondContact CG2-OH 3.33Å; T96-Y103 PolarHBondContact N-O 3.43Å; T96-Y103 PolarHBondContact O-N 2.95Å; T96-Y103 VanDerWaalsContact O-O 3.09Å; E98-Y103 HydrophobicContact CB-CE1 3.69Å; E98-Y103 PolarHBondContact OE2-OH 3.2Å; Y103-V105 HydrophobicContact CD2-CG2 3.65Å; Y103-V105 HydrophobicContact CE2-CG2 3.54Å; Y103-K156 HydrophobicContact CE2-CD 4.39Å; Y103-K156 HydrophobicContact CE2-CG 4.06Å; Y103-K156 WeakPolarHBondContact OH-CE 3.04Å; Y103-K156 PolarHBondContact OH-NZ 2.93Å
104T96.4Very high88.9Confident2 Ų248.9 Ų48.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-103.7142.8172.6-52.40000108.8I65 L66 F67 P93 E94 D95 I106I65-T104 PolarHBondContact O-N 2.99Å; L66-T104 WeakPolarHBondContact CA-O 2.92Å; L66-T104 HydrophobicContact CD1-CG2 4.11Å; F67-T104 PolarHBondContact N-O 3.34Å; P93-T104 HydrophobicContact CB-CG2 3.68Å; E94-T104 CarbonylContact O-C 3.5Å; E94-T104 WeakPolarHBondContact O-CA 3.25Å; D95-T104 PolarHBondContact OD1-OG1 2.84Å; T104-I106 HydrophobicContact CG2-CG1 4.4Å
105V97.3Very high88.6Confident3 Ų346.9 Ų46.92%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-117.3133.6171.1-1700000109.5F67 N69 E94 Y103 K156 R161F67-V105 HydrophobicContact CB-CG1 4.46Å; F67-V105 HydrophobicContact CB-CG2 4.34Å; F67-V105 CarbonylContact O-C 3.55Å; F67-V105 WeakPolarHBondContact O-CA 3.4Å; N69-V105 WeakPolarHBondContact ND2-CG1 3.3Å; E94-V105 PolarHBondContact N-O 3.13Å; E94-V105 PolarHBondContact O-N 3.49Å; Y103-V105 HydrophobicContact CD2-CG2 3.65Å; Y103-V105 HydrophobicContact CE2-CG2 3.54Å; V105-K156 HydrophobicContact CG1-CB 4.27Å; V105-K156 HydrophobicContact CG2-CB 4.39Å; V105-K156 HydrophobicContact CG2-CG 3.86Å; V105-R161 VanDerWaalsContact CG1-NH1 3.26Å; V105-R161 PolarHBondContact O-NH2 3.33Å
106I97.8Very high88.4Confident0 Ų047 Ų470%028%0.275CS..EExtended strand (participates in β ladder)trans-126.6131.3173.9-63.2174.4000108.4L66 F67 I68 N69 V90 P93 T104 V108 I136 F140 F142L66-I106 HydrophobicContact CD1-CB 4.34Å; L66-I106 HydrophobicContact CD1-CD1 3.72Å; L66-I106 HydrophobicContact CD1-CG1 3.81Å; L66-I106 HydrophobicContact CD2-CD1 4.38Å; F67-I106 PolarHBondContact O-N 3.46Å; I68-I106 CarbonylContact C-O 3.46Å; I68-I106 WeakPolarHBondContact CA-O 3.11Å; N69-I106 PolarHBondContact N-O 3.19Å; V90-I106 HydrophobicContact CG1-CG2 3.65Å; P93-I106 HydrophobicContact CB-CD1 4.07Å; P93-I106 HydrophobicContact CB-CG1 3.9Å; P93-I106 HydrophobicContact CG-CD1 3.99Å; P93-I106 HydrophobicContact CG-CG1 4.15Å; T104-I106 HydrophobicContact CG2-CG1 4.4Å; I106-V108 HydrophobicContact CG2-CG2 4.36Å; I106-I136 HydrophobicContact CB-CD1 4.43Å; I106-I136 HydrophobicContact CD1-CD1 4.44Å; I106-I136 HydrophobicContact CD1-CG1 4.48Å; I106-I136 HydrophobicContact CD1-CG2 3.63Å; I106-I136 HydrophobicContact CG2-CD1 3.88Å; I106-I136 HydrophobicContact CG2-CG1 4.07Å; I106-F140 HydrophobicContact CD1-CD2 4.38Å; I106-F140 HydrophobicContact CD1-CE2 4.41Å; I106-F142 HydrophobicContact CD1-CE2 4.25Å
107D98Very high88.4Confident0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-99.1135.4175.3-56.7-66.3000110.2N69 G91 R161 M162 N165 L166N69-D107 VanDerWaalsContact CB-OD1 3.32Å; N69-D107 WeakPolarHBondContact CB-OD1 3.44Å; N69-D107 PolarHBondContact ND2-OD1 2.93Å; G91-D107 PolarHBondContact N-O 3.2Å; D107-R161 VanDerWaalsContact CG-NH1 3.29Å; D107-R161 IonicContact OD1-NH1 3.9Å; D107-R161 PolarHBondContact OD1-NH1 2.88Å; D107-R161 VanDerWaalsContact OD1-NH1 3.09Å; D107-R161 IonicContact OD2-CZ 3.09Å; D107-R161 VanDerWaalsContact OD2-CZ 3.26Å; D107-R161 IonicContact OD2-NH1 2.65Å; D107-R161 PolarHBondContact OD2-NH1 3.5Å; D107-R161 IonicContact OD2-NH2 2.75Å; D107-R161 PolarHBondContact OD2-NH2 2.93Å; D107-M162 HydrophobicContact CB-CG 4.09Å; D107-N165 PolarHBondContact OD2-OD1 2.76Å; D107-L166 HydrophobicContact CB-CD1 4.29Å; D107-L166 HydrophobicContact CB-CD2 3.88Å; D107-L166 HydrophobicContact CB-CG 3.88Å; D107-L166 WeakPolarHBondContact O-CD2 3.15Å
108V97.8Very high88.5Confident0 Ų042.2 Ų42.20%025%0.253CS..EExtended strand (participates in β ladder)trans-127.4131.4175.7-178.30000109.1I68 N69 L70 C71 L88 T89 V90 I106 Y110 A132 I136I68-V108 HydrophobicContact CG2-CG2 3.96Å; N69-V108 PolarHBondContact O-N 3.25Å; L70-V108 WeakPolarHBondContact CA-O 3.05Å; L70-V108 HydrophobicContact CD2-CB 3.63Å; L70-V108 HydrophobicContact CD2-CG1 4.08Å; L70-V108 HydrophobicContact CD2-CG2 4.18Å; C71-V108 PolarHBondContact N-O 3.09Å; C71-V108 PolarHBondContact SG-O 3.48Å; L88-V108 HydrophobicContact CD1-CG1 3.83Å; T89-V108 CarbonylContact O-C 3.52Å; T89-V108 VanDerWaalsContact O-CA 3.29Å; T89-V108 WeakPolarHBondContact O-CA 3.43Å; V90-V108 HydrophobicContact CG1-CG2 4.19Å; V90-V108 HydrophobicContact CG2-CG2 4.34Å; I106-V108 HydrophobicContact CG2-CG2 4.36Å; V108-Y110 HydrophobicContact CG1-CE2 4.03Å; V108-A132 HydrophobicContact CG1-CB 4.14Å; V108-A132 HydrophobicContact CG2-CB 4.44Å; V108-I136 HydrophobicContact CG2-CD1 3.94Å; V108-I136 HydrophobicContact CG2-CG1 4.41Å
109A97.1Very high88.7Confident0 Ų044.3 Ų44.30%026%0.263CS..EExtended strand (participates in β ladder)trans-114.7134179.700000111.6C71 W73 I76 L88 T89 L166C71-A109 WeakPolarHBondContact O-CA 3.41Å; W73-A109 HydrophobicContact CB-CB 4.21Å; W73-A109 HydrophobicContact CE3-CB 4.16Å; I76-A109 HydrophobicContact CD1-CB 4Å; I76-A109 HydrophobicContact CG1-CB 3.85Å; L88-A109 VanDerWaalsContact CA-O 3.29Å; L88-A109 WeakPolarHBondContact CA-O 3.28Å; T89-A109 PolarHBondContact N-O 3.12Å; T89-A109 PolarHBondContact O-N 3.47Å; A109-L166 HydrophobicContact CB-CD1 3.96Å; A109-L166 HydrophobicContact CB-CD2 3.99Å
110Y96.1Very high89.8Confident0 Ų047.9 Ų47.90%027%0.267CS..EExtended strand (participates in β ladder)trans-115160.7168.7-70.2-76.6000110.7L70 C71 Q72 W73 V86 L88 V108 V114 L115 L128 M131 A132L70-Y110 HydrophobicContact CD2-CE2 4.35Å; C71-Y110 PolarHBondContact O-N 3.07Å; Q72-Y110 CarbonylContact C-O 3.59Å; Q72-Y110 WeakPolarHBondContact CA-O 3.49Å; W73-Y110 PolarHBondContact N-O 3.5Å; V86-Y110 HydrophobicContact CG1-CD1 3.99Å; V86-Y110 HydrophobicContact CG1-CE1 4.08Å; L88-Y110 HydrophobicContact CB-CD1 3.69Å; L88-Y110 HydrophobicContact CB-CE1 3.43Å; L88-Y110 VanDerWaalsContact CB-CE1 3.43Å; L88-Y110 HydrophobicContact CD2-CE1 3.72Å; L88-Y110 HydrophobicContact CG-CE1 4.19Å; V108-Y110 HydrophobicContact CG1-CE2 4.03Å; Y110-V114 HydrophobicContact CD1-CG1 4.26Å; Y110-L115 HydrophobicContact CD2-CD1 4.14Å; Y110-L115 HydrophobicContact CD2-CD2 3.99Å; Y110-L115 HydrophobicContact CD2-CG 4.2Å; Y110-L115 HydrophobicContact CG-CD1 4.33Å; Y110-L115 HydrophobicContact CG-CD2 4.44Å; Y110-L115 HydrophobicContact CG-CG 4.25Å; Y110-L128 HydrophobicContact CE1-CD2 4.39Å; Y110-L128 PolarHBondContact OH-O 3Å; Y110-M131 HydrophobicContact CE1-CE 3.38Å; Y110-M131 VanDerWaalsContact OH-CE 3.3Å; Y110-M131 WeakPolarHBondContact OH-CE 3.37Å; Y110-A132 HydrophobicContact CE2-CB 4.5Å; Y110-A132 WeakPolarHBondContact OH-CB 3.41Å; Y110-A132 PolarHBondContact OH-N 3.47Å
111N94.2Very high91.3Very high15 Ų1544.8 Ų44.88%0.0824%0.241CC..  trans-63.4140.8164.7179-81.8000110.1I76 A78 D113 V114I76-N111 HydrophobicContact CB-CB 4.26Å; I76-N111 HydrophobicContact CG2-CB 4.23Å; I76-N111 WeakPolarHBondContact O-CB 3.49Å; I76-N111 PolarHBondContact O-ND2 2.9Å; A78-N111 PolarHBondContact N-ND2 3.37Å; N111-D113 VanDerWaalsContact C-N 3.27Å; N111-D113 PolarHBondContact O-N 3.28Å; N111-D113 VanDerWaalsContact OD1-CB 3.29Å; N111-D113 WeakPolarHBondContact OD1-CB 3.34Å; N111-D113 PolarHBondContact OD1-N 3.48Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 WeakPolarHBondContact O-CB 3.4Å; N111-V114 PolarHBondContact O-N 3.04Å
112P93.8Very high91.9Very high16 Ų1645 Ų4510%0.10424%0.238CC..Hα-helixtrans-53.7-38.3-179.9-27.234.9000114.7Q72 T74 V114 L115 Q116Q72-P112 HydrophobicContact CB-CB 4.27Å; Q72-P112 HydrophobicContact CB-CG 4.14Å; Q72-P112 HydrophobicContact CG-CG 4.48Å; T74-P112 HydrophobicContact CG2-CG 4.06Å; P112-V114 PolarHBondContact O-N 3.47Å; P112-L115 PolarHBondContact O-N 3.45Å; P112-Q116 WeakPolarHBondContact O-CB 3.46Å; P112-Q116 VanDerWaalsContact O-CG 3.31Å; P112-Q116 WeakPolarHBondContact O-CG 3.38Å; P112-Q116 PolarHBondContact O-N 3.06Å
113D92Very high92Very high98 Ų9846.4 Ų46.452%0.52424%0.24SC..Hα-helixtrans-64.3-33.4-176.6-60.6-17.9000111.6N111 A117N111-D113 VanDerWaalsContact C-N 3.27Å; N111-D113 PolarHBondContact O-N 3.28Å; N111-D113 VanDerWaalsContact OD1-CB 3.29Å; N111-D113 WeakPolarHBondContact OD1-CB 3.34Å; N111-D113 PolarHBondContact OD1-N 3.48Å; D113-A117 WeakPolarHBondContact O-CB 3.29Å; D113-A117 PolarHBondContact O-N 2.92Å
114V91.9Very high91.8Very high15 Ų1550 Ų509%0.09126%0.257CS..Hα-helixtrans-65.5-47.8177.4175.90000110.6P79 V86 Y110 N111 P112 A118 L128P79-V114 HydrophobicContact CG-CG2 3.88Å; V86-V114 HydrophobicContact CG1-CB 4.37Å; V86-V114 HydrophobicContact CG1-CG1 3.56Å; V86-V114 HydrophobicContact CG1-CG2 3.92Å; Y110-V114 HydrophobicContact CD1-CG1 4.26Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 WeakPolarHBondContact O-CB 3.4Å; N111-V114 PolarHBondContact O-N 3.04Å; P112-V114 PolarHBondContact O-N 3.47Å; V114-A118 PolarHBondContact O-N 2.98Å; V114-L128 HydrophobicContact CG1-CD1 3.97Å; V114-L128 HydrophobicContact CG1-CD2 3.74Å
115L87.9Confident91.5Very high23 Ų2353 Ų5312%0.1227%0.269CS..Hα-helixtrans-73.1-39.3-177-74.6169.6000111.6Q51 C71 Q72 Y110 P112 A118 E119 L128Q51-L115 HydrophobicContact CG-CD1 4.14Å; C71-L115 WeakPolarHBondContact O-CD1 3.44Å; Q72-L115 HydrophobicContact CB-CD1 3.76Å; Y110-L115 HydrophobicContact CD2-CD1 4.14Å; Y110-L115 HydrophobicContact CD2-CD2 3.99Å; Y110-L115 HydrophobicContact CD2-CG 4.2Å; Y110-L115 HydrophobicContact CG-CD1 4.33Å; Y110-L115 HydrophobicContact CG-CD2 4.44Å; Y110-L115 HydrophobicContact CG-CG 4.25Å; P112-L115 PolarHBondContact O-N 3.45Å; L115-A118 CarbonylContact O-C 3.57Å; L115-A118 PolarHBondContact O-N 2.83Å; L115-A118 VanDerWaalsContact O-N 3.16Å; L115-E119 PolarHBondContact O-N 2.86Å; L115-L128 HydrophobicContact CD2-CD1 3.89Å
116Q88.7Confident91.3Very high108 Ų10855.6 Ų55.651%0.50528%0.283SS..Hα-helixtrans-63.4-41.6175-71.3176.921.100111.9P112 A118 E119P112-Q116 WeakPolarHBondContact O-CB 3.46Å; P112-Q116 VanDerWaalsContact O-CG 3.31Å; P112-Q116 WeakPolarHBondContact O-CG 3.38Å; P112-Q116 PolarHBondContact O-N 3.06Å; Q116-A118 PolarHBondContact O-N 3.18Å; Q116-E119 WeakPolarHBondContact O-CB 3.5Å; Q116-E119 PolarHBondContact O-N 3.38Å; Q116-E119 VanDerWaalsContact O-N 3.16Å
117A86Confident91Very high65 Ų6561.3 Ų61.354%0.53731%0.31SS..Hα-helixtrans-63.4-22.4175.900000113.4D113D113-A117 WeakPolarHBondContact O-CB 3.29Å; D113-A117 PolarHBondContact O-N 2.92Å
118A86.8Confident90.8Very high6 Ų662.2 Ų62.25%0.0531%0.314CS..Hα-helixtrans-95.9-14.4177.100000113.9V114 L115 Q116 K120 N121 K124 L128V114-A118 PolarHBondContact O-N 2.98Å; L115-A118 CarbonylContact O-C 3.57Å; L115-A118 PolarHBondContact O-N 2.83Å; L115-A118 VanDerWaalsContact O-N 3.16Å; Q116-A118 PolarHBondContact O-N 3.18Å; A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 2.81Å; A118-N121 CarbonylContact O-C 3.55Å; A118-N121 PolarHBondContact O-N 3.02Å; A118-K124 HydrophobicContact CB-CB 3.82Å; A118-L128 HydrophobicContact CB-CD1 3.5Å; A118-L128 HydrophobicContact CB-CG 4.47Å
119E82.6Confident90.7Very high133 Ų13362.2 Ų62.262%0.62131%0.314SS*.Hα-helixtrans-56.9-42.1-169.5-172.3177.3-155.300113.1L115 Q116L115-E119 PolarHBondContact O-N 2.86Å; Q116-E119 WeakPolarHBondContact O-CB 3.5Å; Q116-E119 PolarHBondContact O-N 3.38Å; Q116-E119 VanDerWaalsContact O-N 3.16Å
120K83.9Confident90.7Very high205 Ų20566.5 Ų66.589%0.89134%0.335SS*.THydrogen-bonded Turntrans-86.8-4.2-178.6-59.4-178.1-176.81760113.8A118A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 2.81Å
121N90.4Very high90.6Very high63 Ų6369.1 Ų69.134%0.33735%0.347SS..  trans-124.6103.1-174.1-175-36.8000110.6A118 V123 K124 K125A118-N121 CarbonylContact O-C 3.55Å; A118-N121 PolarHBondContact O-N 3.02Å; N121-V123 PolarHBondContact O-N 3.15Å; N121-V123 WeakPolarHBondContact OD1-CA 3.23Å; N121-V123 WeakPolarHBondContact OD1-CB 3.32Å; N121-V123 PolarHBondContact OD1-N 3.29Å; N121-K124 HydrophobicContact CB-CB 4.09Å; N121-K124 HydrophobicContact CB-CD 4.09Å; N121-K124 HydrophobicContact CB-CG 4.08Å; N121-K124 PolarHBondContact O-N 3.33Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.85Å; N121-K125 PolarHBondContact O-N 3.4Å
122Q88.6Confident90.8Very high106 Ų10668.4 Ų68.450%0.49534%0.344SS..Hα-helixtrans-60.3-32-177.5-16960.23500113.2K125 N126Q122-K125 PolarHBondContact O-N 3.13Å; Q122-N126 PolarHBondContact NE2-OD1 2.99Å; Q122-N126 WeakPolarHBondContact O-CB 3.35Å; Q122-N126 PolarHBondContact O-N 3.36Å; Q122-N126 PolarHBondContact O-ND2 3.18Å
123V90.7Very high91Very high94 Ų9468 Ų6857%0.5734%0.34SS*.Hα-helixtrans-66.2-47.6176.7179.60000110.2N121 K125 N126 Q127N121-V123 PolarHBondContact O-N 3.15Å; N121-V123 WeakPolarHBondContact OD1-CA 3.23Å; N121-V123 WeakPolarHBondContact OD1-CB 3.32Å; N121-V123 PolarHBondContact OD1-N 3.29Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.3Å; V123-N126 PolarHBondContact O-N 3.4Å; V123-Q127 WeakPolarHBondContact O-CG 3.24Å; V123-Q127 PolarHBondContact O-N 2.67Å
124K89.7Confident91.2Very high99 Ų9969.1 Ų69.143%0.4334%0.34SS..Hα-helixtrans-62.6-41.6176.1-69.4-174.2178.5-174.80111.8A118 N121 N126 Q127 L128A118-K124 HydrophobicContact CB-CB 3.82Å; N121-K124 HydrophobicContact CB-CB 4.09Å; N121-K124 HydrophobicContact CB-CD 4.09Å; N121-K124 HydrophobicContact CB-CG 4.08Å; N121-K124 PolarHBondContact O-N 3.33Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.85Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-N126 PolarHBondContact O-N 3.39Å; K124-Q127 WeakPolarHBondContact O-CB 3.35Å; K124-Q127 PolarHBondContact O-N 2.79Å; K124-L128 WeakPolarHBondContact O-CG 3.5Å; K124-L128 PolarHBondContact O-N 2.83Å
125K91.1Very high91.4Very high64 Ų6470 Ų7028%0.27835%0.347SS..Hα-helixtrans-60-44.8175.8-171.6175.5-178.61740111.6N121 Q122 V123 Q127 L128 I129N121-K125 PolarHBondContact O-N 3.4Å; Q122-K125 PolarHBondContact O-N 3.13Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.3Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 2.91Å; K125-L128 PolarHBondContact O-N 2.87Å; K125-I129 HydrophobicContact CG-CD1 4.44Å; K125-I129 WeakPolarHBondContact O-CG1 3.27Å; K125-I129 PolarHBondContact O-N 2.87Å; K125-I129 VanDerWaalsContact O-N 3.09Å
126N92Very high91.8Very high57 Ų5768.9 Ų68.931%0.30534%0.341SS..Hα-helixtrans-63.7-39.3175.3-71.6-11.1000111.7Q122 V123 K124 L128 I129 Q130 Y148Q122-N126 PolarHBondContact NE2-OD1 2.99Å; Q122-N126 WeakPolarHBondContact O-CB 3.35Å; Q122-N126 PolarHBondContact O-N 3.36Å; Q122-N126 PolarHBondContact O-ND2 3.18Å; V123-N126 PolarHBondContact O-N 3.4Å; K124-N126 VanDerWaalsContact C-N 3.34Å; K124-N126 PolarHBondContact O-N 3.39Å; N126-L128 PolarHBondContact O-N 2.93Å; N126-I129 PolarHBondContact O-N 2.8Å; N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 2.86Å; N126-Y148 PolarHBondContact OD1-OH 3.2Å
127Q92.6Very high92.2Very high121 Ų12166.6 Ų66.657%0.56533%0.33SS*.Hα-helixtrans-60.9-43.2175.1-73.4170.8-2300112.3V123 K124 K125 I129 Q130 M131V123-Q127 WeakPolarHBondContact O-CG 3.24Å; V123-Q127 PolarHBondContact O-N 2.67Å; K124-Q127 WeakPolarHBondContact O-CB 3.35Å; K124-Q127 PolarHBondContact O-N 2.79Å; K125-Q127 VanDerWaalsContact C-N 3.34Å; K125-Q127 PolarHBondContact O-N 2.91Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 3.49Å; Q127-Q130 PolarHBondContact O-N 2.86Å; Q127-M131 WeakPolarHBondContact O-CB 3.3Å; Q127-M131 PolarHBondContact O-N 2.85Å
128L93.8Very high92.6Very high18 Ų1868.7 Ų68.79%0.09433%0.329CS..Hα-helixtrans-64.8-35.3175.9-66.7179000112.5Y110 V114 L115 A118 K124 K125 N126 M131 A132Y110-L128 HydrophobicContact CE1-CD2 4.39Å; Y110-L128 PolarHBondContact OH-O 3Å; V114-L128 HydrophobicContact CG1-CD1 3.97Å; V114-L128 HydrophobicContact CG1-CD2 3.74Å; L115-L128 HydrophobicContact CD2-CD1 3.89Å; A118-L128 HydrophobicContact CB-CD1 3.5Å; A118-L128 HydrophobicContact CB-CG 4.47Å; K124-L128 WeakPolarHBondContact O-CG 3.5Å; K124-L128 PolarHBondContact O-N 2.83Å; K125-L128 PolarHBondContact O-N 2.87Å; N126-L128 PolarHBondContact O-N 2.93Å; L128-M131 HydrophobicContact CD2-CE 3.66Å; L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 2.98Å
129I95.8Very high93Very high1 Ų173.4 Ų73.41%0.00535%0.35CS..Hα-helixtrans-64.8-49.3173.9-70.5166000110.5L54 L70 K125 N126 Q127 M131 A132 M133 Y148 I150L54-I129 HydrophobicContact CD1-CB 4.35Å; L54-I129 HydrophobicContact CD1-CG1 4.17Å; L54-I129 HydrophobicContact CD1-CG2 3.5Å; L54-I129 VanDerWaalsContact CD1-CG2 3.5Å; L54-I129 HydrophobicContact CD2-CD1 4.05Å; L54-I129 HydrophobicContact CD2-CG1 4.38Å; L54-I129 HydrophobicContact CD2-CG2 4.42Å; L70-I129 HydrophobicContact CD1-CG1 3.9Å; K125-I129 HydrophobicContact CG-CD1 4.44Å; K125-I129 WeakPolarHBondContact O-CG1 3.27Å; K125-I129 PolarHBondContact O-N 2.87Å; K125-I129 VanDerWaalsContact O-N 3.09Å; N126-I129 PolarHBondContact O-N 2.8Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 3.49Å; I129-M131 VanDerWaalsContact C-N 3.3Å; I129-M131 PolarHBondContact O-N 2.91Å; I129-A132 PolarHBondContact O-N 2.88Å; I129-M133 HydrophobicContact CG2-SD 4.07Å; I129-M133 WeakPolarHBondContact O-CG 3.27Å; I129-M133 PolarHBondContact O-N 2.79Å; I129-Y148 HydrophobicContact CD1-CE2 4.15Å; I129-Y148 HydrophobicContact CG2-CD1 4.42Å; I129-Y148 HydrophobicContact CG2-CE1 3.97Å; I129-Y148 HydrophobicContact CG2-CE2 4.06Å; I129-I150 HydrophobicContact CD1-CD1 4.45Å
130Q95.4Very high93.5Very high90 Ų9069.4 Ų69.442%0.42133%0.331SS..Hα-helixtrans-61.4-40.5179.2-69-61.5-32.400111.8N126 Q127 M133 K134N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 2.86Å; Q127-Q130 PolarHBondContact O-N 2.86Å; Q130-M133 PolarHBondContact O-N 2.86Å; Q130-K134 WeakPolarHBondContact O-CB 3.4Å; Q130-K134 PolarHBondContact O-N 3.02Å
131M95.5Very high94.1Very high55 Ų5567.1 Ų67.127%0.27132%0.323SS..Hα-helixtrans-63-44.6175.2-172.8176.763.200111.7V86 L88 Y110 Q127 L128 I129 M133 K134 C135V86-M131 HydrophobicContact CB-CE 3.87Å; V86-M131 HydrophobicContact CB-SD 4.16Å; V86-M131 HydrophobicContact CG1-CE 3.86Å; L88-M131 HydrophobicContact CD2-CE 3.87Å; L88-M131 HydrophobicContact CD2-CG 4.12Å; L88-M131 HydrophobicContact CD2-SD 4.35Å; Y110-M131 HydrophobicContact CE1-CE 3.38Å; Y110-M131 VanDerWaalsContact OH-CE 3.3Å; Y110-M131 WeakPolarHBondContact OH-CE 3.37Å; Q127-M131 WeakPolarHBondContact O-CB 3.3Å; Q127-M131 PolarHBondContact O-N 2.85Å; L128-M131 HydrophobicContact CD2-CE 3.66Å; I129-M131 VanDerWaalsContact C-N 3.3Å; I129-M131 PolarHBondContact O-N 2.91Å; M131-M133 PolarHBondContact O-N 3.4Å; M131-K134 PolarHBondContact O-N 2.84Å; M131-C135 PolarHBondContact O-N 3.36Å; M131-C135 PolarHBondContact O-SG 2.93Å
132A97.2Very high94.4Very high0 Ų066.1 Ų66.10%032%0.316CS..Hα-helixtrans-60-45.2175.300000111.9L70 V108 Y110 L128 I129 C135 I136L70-A132 HydrophobicContact CD2-CB 3.91Å; V108-A132 HydrophobicContact CG1-CB 4.14Å; V108-A132 HydrophobicContact CG2-CB 4.44Å; Y110-A132 HydrophobicContact CE2-CB 4.5Å; Y110-A132 WeakPolarHBondContact OH-CB 3.41Å; Y110-A132 PolarHBondContact OH-N 3.47Å; L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 2.98Å; I129-A132 PolarHBondContact O-N 2.88Å; A132-C135 PolarHBondContact O-N 3.47Å; A132-I136 WeakPolarHBondContact O-CD1 3.4Å; A132-I136 VanDerWaalsContact O-CG1 3.27Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 3.21Å
133M97.6Very high94.8Very high6 Ų663.9 Ų63.93%0.0331%0.309CS..Hα-helixtrans-61.8-45.5177.9-70.4-179.269.400111.5T56 I68 I129 Q130 M131 C135 I136 E137 L144 S145 Y148T56-M133 HydrophobicContact CG2-CE 4.32Å; I68-M133 HydrophobicContact CD1-CG 3.93Å; I129-M133 HydrophobicContact CG2-SD 4.07Å; I129-M133 WeakPolarHBondContact O-CG 3.27Å; I129-M133 PolarHBondContact O-N 2.79Å; Q130-M133 PolarHBondContact O-N 2.86Å; M131-M133 PolarHBondContact O-N 3.4Å; M133-C135 PolarHBondContact O-N 3.19Å; M133-I136 WeakPolarHBondContact O-CB 3.48Å; M133-I136 PolarHBondContact O-N 3.29Å; M133-E137 WeakPolarHBondContact O-CG 3.49Å; M133-E137 PolarHBondContact O-N 3.21Å; M133-L144 HydrophobicContact CB-CD1 4.05Å; M133-L144 HydrophobicContact CE-CB 3.97Å; M133-L144 HydrophobicContact CE-CD1 4.12Å; M133-L144 HydrophobicContact CG-CD1 4.28Å; M133-S145 VanDerWaalsContact CE-O 3.23Å; M133-S145 WeakPolarHBondContact CE-O 3.33Å; M133-Y148 HydrophobicContact SD-CD1 4.01Å
134K96.6Very high95.1Very high122 Ų12259.9 Ų59.953%0.5329%0.285SS..Hα-helixtrans-61.6-43.5177-175.2174.4174.8177.80112.2Q130 M131 I136 E137 E138Q130-K134 WeakPolarHBondContact O-CB 3.4Å; Q130-K134 PolarHBondContact O-N 3.02Å; M131-K134 PolarHBondContact O-N 2.84Å; K134-I136 VanDerWaalsContact C-N 3.3Å; K134-I136 PolarHBondContact O-N 3.22Å; K134-E137 WeakPolarHBondContact O-CB 3.47Å; K134-E137 PolarHBondContact O-N 3Å; K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 IonicContact NZ-OE1 3.96Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 3.31Å
135C96.4Very high95.5Very high33 Ų3356 Ų5622%0.22327%0.27CS..Hα-helixtrans-63.4-36.1175.8-69.20000112.3L88 V90 M131 A132 M133 Q139L88-C135 HydrophobicContact CD1-CB 4.07Å; L88-C135 HydrophobicContact CD2-CB 4.49Å; V90-C135 HydrophobicContact CG2-CB 4.17Å; M131-C135 PolarHBondContact O-N 3.36Å; M131-C135 PolarHBondContact O-SG 2.93Å; A132-C135 PolarHBondContact O-N 3.47Å; M133-C135 PolarHBondContact O-N 3.19Å; C135-Q139 WeakPolarHBondContact O-CB 3.26Å; C135-Q139 PolarHBondContact O-N 3.15Å
136I97.1Very high95.5Very high0 Ų060.6 Ų60.60%029%0.293CS..Hα-helixtrans-64.4-45.3173.6-71.9164.9000111I68 V90 I106 V108 A132 M133 K134 F140 F142 L144I68-I136 HydrophobicContact CD1-CD1 3.76Å; I68-I136 HydrophobicContact CG1-CD1 4.02Å; I68-I136 HydrophobicContact CG2-CD1 3.8Å; V90-I136 HydrophobicContact CG1-CG1 3.66Å; I106-I136 HydrophobicContact CB-CD1 4.43Å; I106-I136 HydrophobicContact CD1-CD1 4.44Å; I106-I136 HydrophobicContact CD1-CG1 4.48Å; I106-I136 HydrophobicContact CD1-CG2 3.63Å; I106-I136 HydrophobicContact CG2-CD1 3.88Å; I106-I136 HydrophobicContact CG2-CG1 4.07Å; V108-I136 HydrophobicContact CG2-CD1 3.94Å; V108-I136 HydrophobicContact CG2-CG1 4.41Å; A132-I136 WeakPolarHBondContact O-CD1 3.4Å; A132-I136 VanDerWaalsContact O-CG1 3.27Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 3.21Å; M133-I136 WeakPolarHBondContact O-CB 3.48Å; M133-I136 PolarHBondContact O-N 3.29Å; K134-I136 VanDerWaalsContact C-N 3.3Å; K134-I136 PolarHBondContact O-N 3.22Å; I136-F140 HydrophobicContact CG2-CD2 4.1Å; I136-F140 WeakPolarHBondContact O-CD2 3.44Å; I136-F140 PolarHBondContact O-N 2.91Å; I136-F140 VanDerWaalsContact O-N 3.07Å; I136-F142 HydrophobicContact CG2-CD2 4.23Å; I136-L144 HydrophobicContact CB-CD1 4.29Å; I136-L144 HydrophobicContact CG2-CD1 3.93Å
137E96.7Very high95.6Very high60 Ų6061.6 Ų61.628%0.2830%0.304SS..Hα-helixtrans-58.6-49.9176.8-71.418013500111.4M133 K134 Q141 F142 L144M133-E137 WeakPolarHBondContact O-CG 3.49Å; M133-E137 PolarHBondContact O-N 3.21Å; K134-E137 WeakPolarHBondContact O-CB 3.47Å; K134-E137 PolarHBondContact O-N 3Å; E137-Q141 CarbonylContact O-C 3.48Å; E137-Q141 WeakPolarHBondContact O-CA 3.3Å; E137-Q141 PolarHBondContact O-N 3.08Å; E137-F142 WeakPolarHBondContact CA-O 3.34Å; E137-F142 VanDerWaalsContact CB-O 3.29Å; E137-F142 WeakPolarHBondContact CB-O 3.36Å; E137-F142 WeakPolarHBondContact CG-O 3.3Å; E137-F142 PolarHBondContact O-N 3.14Å; E137-F142 VanDerWaalsContact O-N 3.13Å; E137-L144 HydrophobicContact CG-CB 4.15Å; E137-L144 HydrophobicContact CG-CD1 4Å; E137-L144 HydrophobicContact CG-CG 3.64Å; E137-L144 PolarHBondContact OE1-N 3.44Å
138E94.9Very high95.7Very high110 Ų11058.5 Ų58.551%0.51429%0.287SS..Hα-helixtrans-64.9-45.5179.7-71173.7177.300112.1K134 Q141K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 IonicContact NZ-OE1 3.96Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 3.31Å; E138-Q141 PolarHBondContact O-NE2 3.42Å
139Q93.9Very high95.7Very high105 Ų10563 Ų6349%0.49131%0.308SS..Hα-helixtrans-71.6-33.3-174.3-173.6171.9-26.700113.2V90 C135V90-Q139 PolarHBondContact O-NE2 3.44Å; C135-Q139 WeakPolarHBondContact O-CB 3.26Å; C135-Q139 PolarHBondContact O-N 3.15Å
140F94.3Very high95.7Very high48 Ų4865.9 Ų65.921%0.21132%0.322CS..Hα-helixtrans-114.96.3-176.3-54.1-60.5000114.1V90 G91 P93 I106 I136 F142V90-F140 HydrophobicContact CG1-CE2 3.58Å; V90-F140 HydrophobicContact CG1-CZ 4.08Å; G91-F140 WeakPolarHBondContact O-CZ 3.1Å; P93-F140 HydrophobicContact CG-CD1 3.92Å; P93-F140 HydrophobicContact CG-CD2 3.8Å; P93-F140 HydrophobicContact CG-CE1 4Å; P93-F140 HydrophobicContact CG-CE2 3.85Å; P93-F140 HydrophobicContact CG-CG 3.83Å; P93-F140 HydrophobicContact CG-CZ 3.98Å; I106-F140 HydrophobicContact CD1-CD2 4.38Å; I106-F140 HydrophobicContact CD1-CE2 4.41Å; I136-F140 HydrophobicContact CG2-CD2 4.1Å; I136-F140 WeakPolarHBondContact O-CD2 3.44Å; I136-F140 PolarHBondContact O-N 2.91Å; I136-F140 VanDerWaalsContact O-N 3.07Å; F140-F142 HydrophobicContact CB-CD1 4.11Å; F140-F142 HydrophobicContact CB-CD2 3.92Å; F140-F142 HydrophobicContact CB-CE1 4.08Å; F140-F142 HydrophobicContact CB-CE2 3.89Å; F140-F142 HydrophobicContact CB-CG 4.04Å; F140-F142 HydrophobicContact CB-CZ 3.98Å; F140-F142 HydrophobicContact CG-CE2 4.45Å; F140-F142 VanDerWaalsContact O-CD1 3.3Å; F140-F142 WeakPolarHBondContact O-CD1 3.46Å; F140-F142 PolarHBondContact O-N 3.34Å
141Q96.3Very high95.7Very high158 Ų15862.3 Ų62.374%0.73831%0.307SS*.THydrogen-bonded Turntrans54.738.1-177.3-56.9-64.6-52.500111.8E137 E138E137-Q141 CarbonylContact O-C 3.48Å; E137-Q141 WeakPolarHBondContact O-CA 3.3Å; E137-Q141 PolarHBondContact O-N 3.08Å; E138-Q141 PolarHBondContact O-NE2 3.42Å
142F96.8Very high95.7Very high41 Ų4170 Ų7018%0.1834%0.338CS..  trans-90154.7175.4-69-12.9000110.5I58 K60 P93 I106 I136 E137 F140 L144I58-F142 HydrophobicContact CD1-CD2 3.91Å; I58-F142 HydrophobicContact CD1-CE2 3.74Å; I58-F142 HydrophobicContact CD1-CZ 4.29Å; I58-F142 HydrophobicContact CG1-CD2 4.13Å; I58-F142 HydrophobicContact CG1-CE2 4.47Å; I58-F142 HydrophobicContact CG2-CB 4.42Å; I58-F142 HydrophobicContact CG2-CD1 4.49Å; I58-F142 HydrophobicContact CG2-CG 4.26Å; K60-F142 WeakPolarHBondContact O-CA 3.44Å; P93-F142 HydrophobicContact CB-CE2 4.33Å; P93-F142 HydrophobicContact CB-CZ 4.5Å; P93-F142 HydrophobicContact CG-CE2 4.02Å; P93-F142 HydrophobicContact CG-CZ 4.22Å; I106-F142 HydrophobicContact CD1-CE2 4.25Å; I136-F142 HydrophobicContact CG2-CD2 4.23Å; E137-F142 WeakPolarHBondContact CA-O 3.34Å; E137-F142 VanDerWaalsContact CB-O 3.29Å; E137-F142 WeakPolarHBondContact CB-O 3.36Å; E137-F142 WeakPolarHBondContact CG-O 3.3Å; E137-F142 PolarHBondContact O-N 3.14Å; E137-F142 VanDerWaalsContact O-N 3.13Å; F140-F142 HydrophobicContact CB-CD1 4.11Å; F140-F142 HydrophobicContact CB-CD2 3.92Å; F140-F142 HydrophobicContact CB-CE1 4.08Å; F140-F142 HydrophobicContact CB-CE2 3.89Å; F140-F142 HydrophobicContact CB-CG 4.04Å; F140-F142 HydrophobicContact CB-CZ 3.98Å; F140-F142 HydrophobicContact CG-CE2 4.45Å; F140-F142 VanDerWaalsContact O-CD1 3.3Å; F140-F142 WeakPolarHBondContact O-CD1 3.46Å; F140-F142 PolarHBondContact O-N 3.34Å; F142-L144 HydrophobicContact CB-CD2 4.17Å
143T97.3Very high95.5Very high59 Ų5974 Ų7436%0.36236%0.356SS..EExtended strand (participates in β ladder)trans-112120.1160.8-53.70000107.3L59 K60L59-T143 WeakPolarHBondContact CA-O 3.48Å; L59-T143 HydrophobicContact CB-CG2 4.42Å; L59-T143 WeakPolarHBondContact CB-O 3.46Å; L59-T143 HydrophobicContact CD1-CG2 4.5Å; L59-T143 PolarHBondContact N-O 3.13Å; K60-T143 PolarHBondContact N-O 3.07Å; K60-T143 PolarHBondContact O-N 2.91Å
144L97.3Very high95.3Very high10 Ų1081.6 Ų81.65%0.05239%0.385CS..EExtended strand (participates in β ladder)trans-99.4153.7-179-58.3-176.4000111.3R57 I58 L66 I68 M133 I136 E137 F142 H146R57-L144 CarbonylContact O-C 3.56Å; R57-L144 WeakPolarHBondContact O-CA 3.29Å; I58-L144 HydrophobicContact CB-CD2 4.29Å; I58-L144 HydrophobicContact CG1-CD2 3.65Å; L66-L144 HydrophobicContact CD2-CD1 4.11Å; L66-L144 HydrophobicContact CD2-CD2 3.52Å; L66-L144 HydrophobicContact CD2-CG 4.46Å; I68-L144 HydrophobicContact CD1-CD1 4.4Å; M133-L144 HydrophobicContact CB-CD1 4.05Å; M133-L144 HydrophobicContact CE-CB 3.97Å; M133-L144 HydrophobicContact CE-CD1 4.12Å; M133-L144 HydrophobicContact CG-CD1 4.28Å; I136-L144 HydrophobicContact CB-CD1 4.29Å; I136-L144 HydrophobicContact CG2-CD1 3.93Å; E137-L144 HydrophobicContact CG-CB 4.15Å; E137-L144 HydrophobicContact CG-CD1 4Å; E137-L144 HydrophobicContact CG-CG 3.64Å; E137-L144 PolarHBondContact OE1-N 3.44Å; F142-L144 HydrophobicContact CB-CD2 4.17Å; L144-H146 PolarHBondContact O-N 3.08Å
145S96.6Very high95.3Very high18 Ų1877.6 Ų77.613%0.12637%0.369CS..  trans-66.9126.9167.51620000109.9T56 R57 M133 S147T56-S145 PolarHBondContact OG1-O 3.12Å; T56-S145 VanDerWaalsContact OG1-O 3.08Å; R57-S145 PolarHBondContact O-N 2.89Å; M133-S145 VanDerWaalsContact CE-O 3.23Å; M133-S145 WeakPolarHBondContact CE-O 3.33Å; S145-S147 PolarHBondContact O-N 3.37Å; S145-S147 PolarHBondContact OG-N 2.9Å; S145-S147 VanDerWaalsContact OG-N 3.13Å; S145-S147 PolarHBondContact OG-O 2.57Å
146H91.1Very high95.2Very high161 Ų16177.7 Ų77.775%0.74537%0.365SS*.SBendtrans-61.1-23.9172.465-90.5000112.8L144L144-H146 PolarHBondContact O-N 3.08Å
147S93.8Very high94.9Very high77 Ų7780.2 Ų80.254%0.53839%0.392SS..  trans-83.7130.1174-171.70000110.7T56 S145T56-S147 PolarHBondContact OG1-O 2.74Å; S145-S147 PolarHBondContact O-N 3.37Å; S145-S147 PolarHBondContact OG-N 2.9Å; S145-S147 VanDerWaalsContact OG-N 3.13Å; S145-S147 PolarHBondContact OG-O 2.57Å
148Y95.4Very high94.8Very high57 Ų5780.5 Ų80.522%0.22440%0.4CS..  trans-140.7157.9175.961.9-92.2000111.1L54 Q55 N126 I129 M133 I150L54-Y148 HydrophobicContact CD2-CD2 3.91Å; L54-Y148 HydrophobicContact CD2-CE2 4.23Å; Q55-Y148 WeakPolarHBondContact O-CA 3.37Å; N126-Y148 PolarHBondContact OD1-OH 3.2Å; I129-Y148 HydrophobicContact CD1-CE2 4.15Å; I129-Y148 HydrophobicContact CG2-CD1 4.42Å; I129-Y148 HydrophobicContact CG2-CE1 3.97Å; I129-Y148 HydrophobicContact CG2-CE2 4.06Å; M133-Y148 HydrophobicContact SD-CD1 4.01Å; Y148-I150 HydrophobicContact CD2-CG1 4.48Å; Y148-I150 HydrophobicContact CE2-CG1 4.34Å
149H94.6Very high94.7Very high112 Ų11278.9 Ų78.952%0.51939%0.394SS..EExtended strand (participates in β ladder)trans-120132.2172.317264.9000109.9L54 Q55 T151L54-H149 CarbonylContact C-O 3.57Å; L54-H149 WeakPolarHBondContact CA-O 3.23Å; Q55-H149 PolarHBondContact N-O 3Å; Q55-H149 PolarHBondContact O-N 3.44Å; H149-T151 PolarHBondContact O-N 2.82Å
150I95.3Very high94.4Very high62 Ų6279 Ų7932%0.31839%0.394SS..EExtended strand (participates in β ladder)trans-80117.6170.6-56.1177.4000107.9L52 L54 I129 Y148L52-I150 HydrophobicContact CB-CG2 4.37Å; L54-I150 HydrophobicContact CD2-CG1 3.75Å; I129-I150 HydrophobicContact CD1-CD1 4.45Å; Y148-I150 HydrophobicContact CD2-CG1 4.48Å; Y148-I150 HydrophobicContact CE2-CG1 4.34Å
151T95.4Very high94.3Very high15 Ų1578.4 Ų78.49%0.09239%0.391CS..  trans-70.7159.4-176.457.60000112C53 Q55 F67 H149 F153C53-T151 VanDerWaalsContact CB-OG1 3.25Å; C53-T151 WeakPolarHBondContact CB-OG1 3.2Å; C53-T151 PolarHBondContact O-N 2.85Å; C53-T151 PolarHBondContact O-OG1 3.49Å; Q55-T151 HydrophobicContact CB-CG2 3.86Å; F67-T151 HydrophobicContact CD1-CG2 4.33Å; F67-T151 HydrophobicContact CE1-CG2 4.07Å; H149-T151 PolarHBondContact O-N 2.82Å; T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CE1 4.11Å; T151-F153 HydrophobicContact CG2-CE2 4.19Å; T151-F153 HydrophobicContact CG2-CZ 3.76Å; T151-F153 PolarHBondContact O-N 3.35Å; T151-F153 WeakPolarHBondContact OG1-CE2 3.44Å; T151-F153 PolarHBondContact OG1-O 3.32Å
152K94.8Very high94.2Very high215 Ų21570.9 Ų70.994%0.93536%0.356SS*.SBendtrans-67.1-31.3175.4-65-178-179.1177.50113
153F93.8Very high93.9Very high85 Ų8570.4 Ų70.437%0.37335%0.354SS..SBendtrans-87.6153.4173.556.8-97.7000110.6C53 F67 T151 I155 K156C53-F153 HydrophobicContact CB-CD2 4.11Å; C53-F153 HydrophobicContact CB-CE2 4Å; C53-F153 VanDerWaalsContact SG-CE2 3.53Å; F67-F153 HydrophobicContact CD1-CE2 4.5Å; F67-F153 HydrophobicContact CD1-CZ 4.19Å; F67-F153 AromaticContact CE1-CZ 3.87Å; F67-F153 HydrophobicContact CE1-CZ 3.87Å; T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CE1 4.11Å; T151-F153 HydrophobicContact CG2-CE2 4.19Å; T151-F153 HydrophobicContact CG2-CZ 3.76Å; T151-F153 PolarHBondContact O-N 3.35Å; T151-F153 WeakPolarHBondContact OG1-CE2 3.44Å; T151-F153 PolarHBondContact OG1-O 3.32Å; F153-I155 WeakPolarHBondContact CD2-O 3.4Å; F153-K156 HydrophobicContact CE2-CB 3.98Å; F153-K156 HydrophobicContact CE2-CD 4.02Å; F153-K156 HydrophobicContact CZ-CD 3.98Å
154R93.6Very high93.5Very high166 Ų16671.7 Ų71.763%0.62636%0.355SS*.SBendtrans-89.1-18.9-177.1-62.8-173.2-177-170.8-0.7114.3P50 L52 C53P50-R154 HydrophobicContact CB-CB 4.37Å; L52-R154 CarbonylContact C-O 3.59Å; C53-R154 PolarHBondContact N-O 2.98Å
155I95.6Very high93.2Very high38 Ų3871.6 Ų71.620%0.19536%0.355CS..  trans-144134.2-177.9-175.8173.1000110.2P50 F153 I159 M162P50-I155 HydrophobicContact CB-CB 3.91Å; P50-I155 HydrophobicContact CB-CG2 4.47Å; P50-I155 HydrophobicContact CG-CB 4.05Å; P50-I155 HydrophobicContact CG-CD1 3.83Å; P50-I155 HydrophobicContact CG-CG1 4.42Å; P50-I155 HydrophobicContact CG-CG2 4.36Å; F153-I155 WeakPolarHBondContact CD2-O 3.4Å; I155-I159 HydrophobicContact CD1-CG1 4.3Å; I155-M162 HydrophobicContact CD1-CB 4.28Å; I155-M162 HydrophobicContact CD1-CE 3.54Å; I155-M162 HydrophobicContact CD1-SD 4.21Å; I155-M162 HydrophobicContact CG1-CE 3.82Å
156K94.9Very high92.9Very high34 Ų3471.3 Ų71.315%0.14835%0.352CS..SBendtrans-91.4116.1162.5-167.968.6-178.1167.50108.6F67 N69 E98 Y103 V105 F153F67-K156 HydrophobicContact CB-CB 3.96Å; F67-K156 HydrophobicContact CB-CG 4.06Å; F67-K156 HydrophobicContact CD1-CD 4.48Å; F67-K156 HydrophobicContact CD1-CG 4.44Å; F67-K156 HydrophobicContact CD2-CD 4.28Å; F67-K156 HydrophobicContact CD2-CG 4.05Å; F67-K156 HydrophobicContact CE2-CD 4.41Å; F67-K156 HydrophobicContact CG-CB 4.18Å; F67-K156 HydrophobicContact CG-CD 4.31Å; F67-K156 HydrophobicContact CG-CG 3.92Å; N69-K156 PolarHBondContact ND2-O 3.48Å; N69-K156 PolarHBondContact OD1-N 2.93Å; E98-K156 IonicContact OE2-NZ 2.7Å; E98-K156 PolarHBondContact OE2-NZ 3.02Å; Y103-K156 HydrophobicContact CE2-CD 4.39Å; Y103-K156 HydrophobicContact CE2-CG 4.06Å; Y103-K156 WeakPolarHBondContact OH-CE 3.04Å; Y103-K156 PolarHBondContact OH-NZ 2.93Å; V105-K156 HydrophobicContact CG1-CB 4.27Å; V105-K156 HydrophobicContact CG2-CB 4.39Å; V105-K156 HydrophobicContact CG2-CG 3.86Å; F153-K156 HydrophobicContact CE2-CB 3.98Å; F153-K156 HydrophobicContact CE2-CD 4.02Å; F153-K156 HydrophobicContact CZ-CD 3.98Å
157G91.6Very high92.6Very high54 Ų5467.4 Ų67.456%0.55734%0.335SS*.SBendtrans94.7-157.6-173.800000113.2
158S93.1Very high91.3Very high65 Ų6565.4 Ų65.446%0.45533%0.327SS..  trans-109.1156.7-176.670.30000112.8Q160 R161 M162S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.06Å; S158-R161 WeakPolarHBondContact O-CB 3.49Å; S158-R161 PolarHBondContact O-N 2.72Å; S158-R161 WeakPolarHBondContact OG-CB 3.38Å; S158-R161 PolarHBondContact OG-N 3.2Å; S158-M162 PolarHBondContact O-N 2.81Å
159I92.8Very high89Confident76 Ų7666.4 Ų66.439%0.3934%0.335SS..Hα-helixtrans-60.5-38.3175.5-63.8172.7000110.8D47 P50 I155 R161 M162 K163D47-I159 HydrophobicContact CB-CG2 4.12Å; P50-I159 HydrophobicContact CG-CG1 4.03Å; I155-I159 HydrophobicContact CD1-CG1 4.3Å; I159-R161 PolarHBondContact O-N 3.33Å; I159-M162 PolarHBondContact O-N 3.35Å; I159-K163 WeakPolarHBondContact O-CB 3.2Å; I159-K163 PolarHBondContact O-N 2.72Å
160Q88.9Confident86.4Confident107 Ų10766.1 Ų66.150%0.533%0.334SS..Hα-helixtrans-61.8-43.7177.6-176.161.129.700112S158 K163 Q164S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.06Å; Q160-K163 PolarHBondContact O-N 2.92Å; Q160-Q164 VanDerWaalsContact NE2-NE2 3.15Å; Q160-Q164 VanDerWaalsContact O-CG 3.28Å; Q160-Q164 WeakPolarHBondContact O-CG 3.47Å; Q160-Q164 PolarHBondContact O-N 2.67Å
161R92.5Very high83.3Confident36 Ų3669.6 Ų69.614%0.13636%0.359CS..Hα-helixtrans-59.9-51.7174.3175-149.8163-94.5-20.8110.3E94 V105 D107 S158 I159 K163 Q164 N165E94-R161 VanDerWaalsContact CD-NH2 3.35Å; E94-R161 IonicContact OE2-CZ 3.26Å; E94-R161 IonicContact OE2-NE 2.7Å; E94-R161 PolarHBondContact OE2-NE 3Å; E94-R161 IonicContact OE2-NH2 3.23Å; E94-R161 PolarHBondContact OE2-NH2 2.88Å; V105-R161 VanDerWaalsContact CG1-NH1 3.26Å; V105-R161 PolarHBondContact O-NH2 3.33Å; D107-R161 VanDerWaalsContact CG-NH1 3.29Å; D107-R161 IonicContact OD1-NH1 3.9Å; D107-R161 PolarHBondContact OD1-NH1 2.88Å; D107-R161 VanDerWaalsContact OD1-NH1 3.09Å; D107-R161 IonicContact OD2-CZ 3.09Å; D107-R161 VanDerWaalsContact OD2-CZ 3.26Å; D107-R161 IonicContact OD2-NH1 2.65Å; D107-R161 PolarHBondContact OD2-NH1 3.5Å; D107-R161 IonicContact OD2-NH2 2.75Å; D107-R161 PolarHBondContact OD2-NH2 2.93Å; S158-R161 WeakPolarHBondContact O-CB 3.49Å; S158-R161 PolarHBondContact O-N 2.72Å; S158-R161 WeakPolarHBondContact OG-CB 3.38Å; S158-R161 PolarHBondContact OG-N 3.2Å; I159-R161 PolarHBondContact O-N 3.33Å; R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 3.48Å; R161-Q164 PolarHBondContact O-N 3.31Å; R161-Q164 VanDerWaalsContact O-N 3.14Å; R161-N165 WeakPolarHBondContact O-CB 3.36Å; R161-N165 PolarHBondContact O-N 3.28Å
162M93.9Very high80.4Confident0 Ų073.4 Ų73.40%038%0.379CS..Hα-helixtrans-54.7-47178.7170.7-175.4-75.900111.3P48 P50 N69 C71 D107 I155 S158 I159 Q164 N165 L166P48-M162 HydrophobicContact CB-CG 4.22Å; P48-M162 HydrophobicContact CB-SD 3.9Å; P48-M162 HydrophobicContact CG-CB 4.5Å; P48-M162 HydrophobicContact CG-CG 3.79Å; P48-M162 HydrophobicContact CG-SD 3.9Å; P50-M162 HydrophobicContact CB-CE 4.41Å; P50-M162 HydrophobicContact CG-CE 4.2Å; P50-M162 HydrophobicContact CG-SD 4.12Å; N69-M162 HydrophobicContact CB-CE 3.45Å; N69-M162 VanDerWaalsContact CB-CE 3.45Å; C71-M162 HydrophobicContact CB-CE 4.13Å; C71-M162 HydrophobicContact CB-SD 3.63Å; D107-M162 HydrophobicContact CB-CG 4.09Å; I155-M162 HydrophobicContact CD1-CB 4.28Å; I155-M162 HydrophobicContact CD1-CE 3.54Å; I155-M162 HydrophobicContact CD1-SD 4.21Å; I155-M162 HydrophobicContact CG1-CE 3.82Å; S158-M162 PolarHBondContact O-N 2.81Å; I159-M162 PolarHBondContact O-N 3.35Å; M162-Q164 PolarHBondContact O-N 3.5Å; M162-N165 PolarHBondContact O-N 3.32Å; M162-L166 HydrophobicContact CG-CD1 3.61Å; M162-L166 HydrophobicContact CG-CG 4.39Å; M162-L166 WeakPolarHBondContact O-CB 3.24Å; M162-L166 VanDerWaalsContact O-CG 3.24Å; M162-L166 WeakPolarHBondContact O-CG 3.15Å; M162-L166 PolarHBondContact O-N 2.87Å
163K89.9Confident77.7Confident31 Ų3168.6 Ų68.614%0.13537%0.372CS..Hα-helixtrans-58.8-48.2176.6-173.7175.1-170.5174.60111.7C45 D47 P48 I159 Q160 R161 N165 L166 M167C45-K163 PolarHBondContact O-NZ 3.18Å; D47-K163 WeakPolarHBondContact OD1-CD 3.39Å; D47-K163 WeakPolarHBondContact OD1-CE 3.29Å; D47-K163 IonicContact OD1-NZ 2.88Å; D47-K163 PolarHBondContact OD1-NZ 3.47Å; P48-K163 HydrophobicContact CG-CB 3.95Å; I159-K163 WeakPolarHBondContact O-CB 3.2Å; I159-K163 PolarHBondContact O-N 2.72Å; Q160-K163 PolarHBondContact O-N 2.92Å; R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 3.48Å; K163-N165 VanDerWaalsContact C-N 3.34Å; K163-N165 PolarHBondContact O-N 3.32Å; K163-L166 PolarHBondContact O-N 2.78Å; K163-M167 HydrophobicContact CD-SD 4.22Å; K163-M167 HydrophobicContact CG-CG 4.17Å; K163-M167 HydrophobicContact CG-SD 3.68Å; K163-M167 VanDerWaalsContact O-CB 3.22Å; K163-M167 WeakPolarHBondContact O-CB 3.15Å; K163-M167 WeakPolarHBondContact O-CG 3.29Å; K163-M167 PolarHBondContact O-N 3.46Å
164Q87.8Confident75.2Confident86 Ų8670.5 Ų70.540%0.40239%0.385SS..Hα-helixtrans-62.7-41.1179.2-71.7171-20.800112.4Q160 R161 M162 G168 I169Q160-Q164 VanDerWaalsContact NE2-NE2 3.15Å; Q160-Q164 VanDerWaalsContact O-CG 3.28Å; Q160-Q164 WeakPolarHBondContact O-CG 3.47Å; Q160-Q164 PolarHBondContact O-N 2.67Å; R161-Q164 PolarHBondContact O-N 3.31Å; R161-Q164 VanDerWaalsContact O-N 3.14Å; M162-Q164 PolarHBondContact O-N 3.5Å; Q164-G168 PolarHBondContact O-N 3.33Å; Q164-I169 HydrophobicContact CB-CD1 3.84Å; Q164-I169 HydrophobicContact CG-CD1 3.86Å
165N91.9Very high72.8Confident9 Ų964 Ų645%0.04836%0.362CS..Hα-helixtrans-65.2-45.3178.9-172.4-100.6000111.6G91 K92 E94 D107 R161 M162 K163 G168G91-N165 VanDerWaalsContact C-OD1 3.25Å; G91-N165 WeakPolarHBondContact CA-OD1 3.28Å; K92-N165 PolarHBondContact N-ND2 2.89Å; K92-N165 PolarHBondContact N-OD1 3.14Å; K92-N165 PolarHBondContact O-ND2 2.88Å; K92-N165 PolarHBondContact O-OD1 3.47Å; E94-N165 VanDerWaalsContact CD-ND2 3.32Å; E94-N165 PolarHBondContact OE1-ND2 2.83Å; D107-N165 PolarHBondContact OD2-OD1 2.76Å; R161-N165 WeakPolarHBondContact O-CB 3.36Å; R161-N165 PolarHBondContact O-N 3.28Å; M162-N165 PolarHBondContact O-N 3.32Å; K163-N165 VanDerWaalsContact C-N 3.34Å; K163-N165 PolarHBondContact O-N 3.32Å; N165-G168 PolarHBondContact O-N 2.71Å
166L90.6Very high70.1Confident12 Ų1267 Ų676%0.06338%0.378CS..Hα-helixtrans-74.5-30.6178.6-67.5169.1000113.8P48 C71 W73 T89 D107 A109 M162 K163 G168P48-L166 HydrophobicContact CB-CD1 3.99Å; P48-L166 HydrophobicContact CG-CD1 4.19Å; C71-L166 VanDerWaalsContact SG-CD1 3.56Å; W73-L166 HydrophobicContact CE3-CB 4.16Å; W73-L166 HydrophobicContact CE3-CD1 4.24Å; W73-L166 HydrophobicContact CH2-CB 4.26Å; W73-L166 HydrophobicContact CZ3-CB 3.56Å; W73-L166 HydrophobicContact CZ3-CD1 4.43Å; T89-L166 HydrophobicContact CG2-CD2 4.36Å; D107-L166 HydrophobicContact CB-CD1 4.29Å; D107-L166 HydrophobicContact CB-CD2 3.88Å; D107-L166 HydrophobicContact CB-CG 3.88Å; D107-L166 WeakPolarHBondContact O-CD2 3.15Å; A109-L166 HydrophobicContact CB-CD1 3.96Å; A109-L166 HydrophobicContact CB-CD2 3.99Å; M162-L166 HydrophobicContact CG-CD1 3.61Å; M162-L166 HydrophobicContact CG-CG 4.39Å; M162-L166 WeakPolarHBondContact O-CB 3.24Å; M162-L166 VanDerWaalsContact O-CG 3.24Å; M162-L166 WeakPolarHBondContact O-CG 3.15Å; M162-L166 PolarHBondContact O-N 2.87Å; K163-L166 PolarHBondContact O-N 2.78Å; L166-G168 PolarHBondContact O-N 2.66Å
167M83.4Confident67.6Low78 Ų7873.7 Ų73.738%0.38440%0.403SS..Hα-helixtrans-69.2-14.6172.3-75.4-17776.300112.2W73 K163W73-M167 HydrophobicContact CH2-CG 3.53Å; W73-M167 HydrophobicContact CZ2-CG 4.06Å; K163-M167 HydrophobicContact CD-SD 4.22Å; K163-M167 HydrophobicContact CG-CG 4.17Å; K163-M167 HydrophobicContact CG-SD 3.68Å; K163-M167 VanDerWaalsContact O-CB 3.22Å; K163-M167 WeakPolarHBondContact O-CB 3.15Å; K163-M167 WeakPolarHBondContact O-CG 3.29Å; K163-M167 PolarHBondContact O-N 3.46Å
168G67.7Low65.4Low36 Ų3674 Ų7437%0.37139%0.389SS..THydrogen-bonded Turntrans62.377.5-177.900000111.2Q164 N165 L166 Q170Q164-G168 PolarHBondContact O-N 3.33Å; N165-G168 PolarHBondContact O-N 2.71Å; L166-G168 PolarHBondContact O-N 2.66Å; G168-Q170 PolarHBondContact O-N 2.8Å
169I46.2Very low62.8Low78 Ų7875.3 Ų75.340%0.439%0.387SS..  trans-72.7110.6167.3-60.1-179.9000108K92 Q164K92-I169 PolarHBondContact NZ-O 3.23Å; Q164-I169 HydrophobicContact CB-CD1 3.84Å; Q164-I169 HydrophobicContact CG-CD1 3.86Å
170Q39.9Very low60.3Low105 Ų10577.6 Ų77.649%0.49140%0.398SS..  trans-66.8128.2148.3-78.8-177.649.900106.6G168 D172 D175G168-Q170 PolarHBondContact O-N 2.8Å; Q170-D172 PolarHBondContact O-N 3.41Å; Q170-D175 PolarHBondContact NE2-OD2 3.09Å; Q170-D175 PolarHBondContact OE1-OD2 3Å
171T31.5Very low58.1Low136 Ų13676.1 Ų76.183%0.83439%0.387SS*.SBendtrans-72.943.8176.1-38.20000111.5
172D33.8Very low55.8Low95 Ų9580.6 Ų80.651%0.50840%0.404SS..  trans-124.5104.6163.1-75.7-38.6000106.1Q170 I174 D175Q170-D172 PolarHBondContact O-N 3.41Å; D172-I174 HydrophobicContact CB-CB 4.48Å; D172-I174 PolarHBondContact O-N 2.93Å; D172-D175 HydrophobicContact CB-CB 4.46Å; D172-D175 PolarHBondContact O-N 3.23Å
173S38.5Very low53.2Low114 Ų11485.9 Ų85.980%0.79743%0.429SS*.THydrogen-bonded Turntrans-57.7-8171.464.90000112.9
174I40.7Very low51Low125 Ų12589.2 Ų89.264%0.64145%0.448SS*.THydrogen-bonded Turntrans-76.1-33.2173.1-55.4173.9000111D172 E178D172-I174 HydrophobicContact CB-CB 4.48Å; D172-I174 PolarHBondContact O-N 2.93Å; I174-E178 PolarHBondContact O-N 3.29Å
175D44.1Very low49.2Very low29 Ų2986.8 Ų86.816%0.15544%0.439CS..Hα-helixtrans-81.4-27.5-173.4-169.841.5000113.5Q170 D172 R177 E178 K179Q170-D175 PolarHBondContact NE2-OD2 3.09Å; Q170-D175 PolarHBondContact OE1-OD2 3Å; D172-D175 HydrophobicContact CB-CB 4.46Å; D172-D175 PolarHBondContact O-N 3.23Å; D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 2.7Å; D175-E178 CarbonylContact O-C 3.59Å; D175-E178 PolarHBondContact O-N 2.92Å; D175-K179 WeakPolarHBondContact O-CB 3.22Å; D175-K179 PolarHBondContact O-N 2.8Å
176L38.5Very low47Very low100 Ų10092 Ų9252%0.52447%0.466SS..Hα-helixtrans-63.7-34.2173.5-84.1168.4000112.3M180L176-M180 VanDerWaalsContact O-CB 3.31Å; L176-M180 WeakPolarHBondContact O-CB 3.36Å; L176-M180 PolarHBondContact O-N 3.44Å
177R43.3Very low44.7Very low176 Ų17694 Ų9466%0.66449%0.489SS*.Hα-helixtrans-71.2-40174.3-172.3-177.5-73.1-121.20.6111D175 R181D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 2.7Å; R177-R181 WeakPolarHBondContact O-CB 3.49Å; R177-R181 VanDerWaalsContact O-CD 3.24Å; R177-R181 WeakPolarHBondContact O-CD 3.36Å; R177-R181 WeakPolarHBondContact O-CG 3.22Å; R177-R181 PolarHBondContact O-N 3.1Å
178E43.8Very low42.7Very low59 Ų5994.5 Ų94.528%0.27649%0.491SS..Hα-helixtrans-66.5-38.8174.5-75.6-101.2131.300112.4I174 D175 R181 R182I174-E178 PolarHBondContact O-N 3.29Å; D175-E178 CarbonylContact O-C 3.59Å; D175-E178 PolarHBondContact O-N 2.92Å; E178-R181 CarbonylContact O-C 3.57Å; E178-R181 VanDerWaalsContact O-CB 3.29Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 PolarHBondContact O-N 2.87Å; E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 VanDerWaalsContact O-CG 3.3Å; E178-R182 WeakPolarHBondContact O-CG 3.36Å; E178-R182 PolarHBondContact O-N 2.78Å; E178-R182 IonicContact OE2-CZ 3.68Å; E178-R182 IonicContact OE2-NE 3.06Å; E178-R182 IonicContact OE2-NH2 3.94Å; E178-R182 PolarHBondContact OE2-NH2 2.94Å
179K39.5Very low41.6Very low93 Ų9396.6 Ų96.640%0.40449%0.493SS..Hα-helixtrans-81.4-36.1-177-151175.8-174.4-176.60112.3D175 R181 R182 E183D175-K179 WeakPolarHBondContact O-CB 3.22Å; D175-K179 PolarHBondContact O-N 2.8Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.26Å; K179-R182 PolarHBondContact O-N 2.8Å; K179-E183 WeakPolarHBondContact O-CB 3.39Å; K179-E183 PolarHBondContact O-N 2.89Å
180M39.3Very low41.3Very low125 Ų125102.8 Ų102.862%0.61651%0.511SS*.Hα-helixtrans-60.5-39.5162.6-88.8176.958.500111.2L176 R182 L184L176-M180 VanDerWaalsContact O-CB 3.31Å; L176-M180 WeakPolarHBondContact O-CB 3.36Å; L176-M180 PolarHBondContact O-N 3.44Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-L184 VanDerWaalsContact O-CB 3.24Å; M180-L184 WeakPolarHBondContact O-CB 3.33Å; M180-L184 WeakPolarHBondContact O-CD1 3.19Å; M180-L184 WeakPolarHBondContact O-CG 3.24Å; M180-L184 PolarHBondContact O-N 3.01Å
181R44.2Very low41.1Very low75 Ų75101.6 Ų101.628%0.28351%0.514SS..Hα-helixtrans-62.8-37.7173.2-84.6163.9160.5179.91.6112.4L8 V12 R177 E178 K179 T185L8-R181 HydrophobicContact CD1-CB 4.21Å; L8-R181 HydrophobicContact CD2-CB 3.91Å; L8-R181 HydrophobicContact CD2-CG 3.8Å; V12-R181 HydrophobicContact CG2-CG 4.45Å; R177-R181 WeakPolarHBondContact O-CB 3.49Å; R177-R181 VanDerWaalsContact O-CD 3.24Å; R177-R181 WeakPolarHBondContact O-CD 3.36Å; R177-R181 WeakPolarHBondContact O-CG 3.22Å; R177-R181 PolarHBondContact O-N 3.1Å; E178-R181 CarbonylContact O-C 3.57Å; E178-R181 VanDerWaalsContact O-CB 3.29Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 PolarHBondContact O-N 2.87Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.26Å; R181-T185 PolarHBondContact O-N 2.89Å; R181-T185 PolarHBondContact O-OG1 3.18Å
182R43.1Very low41.5Very low130 Ų13098.5 Ų98.549%0.49150%0.498SS..Hα-helixtrans-77.4-39.8178.7-73.9179.7-156172.710.7114.4E178 K179 M180 T185E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 VanDerWaalsContact O-CG 3.3Å; E178-R182 WeakPolarHBondContact O-CG 3.36Å; E178-R182 PolarHBondContact O-N 2.78Å; E178-R182 IonicContact OE2-CZ 3.68Å; E178-R182 IonicContact OE2-NE 3.06Å; E178-R182 IonicContact OE2-NH2 3.94Å; E178-R182 PolarHBondContact OE2-NH2 2.94Å; K179-R182 PolarHBondContact O-N 2.8Å; M180-R182 VanDerWaalsContact C-N 3.34Å; R182-T185 WeakPolarHBondContact CA-OG1 3.32Å; R182-T185 PolarHBondContact O-N 3.45Å; R182-T185 VanDerWaalsContact O-N 3.13Å; R182-T185 PolarHBondContact O-OG1 2.92Å; R182-T185 VanDerWaalsContact O-OG1 3.08Å
183E39.9Very low41.7Very low112 Ų11298.4 Ų98.452%0.52350%0.501SS..Hα-helixtrans-73.6-29.1176-78.2-176.9164.400111.8R75 K179 T185R75-E183 IonicContact NH2-OE1 2.66Å; R75-E183 IonicContact NH2-OE2 2.71Å; K179-E183 WeakPolarHBondContact O-CB 3.39Å; K179-E183 PolarHBondContact O-N 2.89Å; E183-T185 PolarHBondContact O-N 3.24Å
184L44.3Very low41.5Very low100 Ų100100.8 Ų100.852%0.52450%0.502SS..SBendtrans-73.2-14.4166.6-77.4162.7000113.1M180M180-L184 VanDerWaalsContact O-CB 3.24Å; M180-L184 WeakPolarHBondContact O-CB 3.33Å; M180-L184 WeakPolarHBondContact O-CD1 3.19Å; M180-L184 WeakPolarHBondContact O-CG 3.24Å; M180-L184 PolarHBondContact O-N 3.01Å
185T49.4Very low41.2Very low35 Ų3599.6 Ų99.622%0.21551%0.505CS..SBendtrans-90.2119177.69.90000111.5R181 R182 E183 G187R181-T185 PolarHBondContact O-N 2.89Å; R181-T185 PolarHBondContact O-OG1 3.18Å; R182-T185 WeakPolarHBondContact CA-OG1 3.32Å; R182-T185 PolarHBondContact O-N 3.45Å; R182-T185 VanDerWaalsContact O-N 3.13Å; R182-T185 PolarHBondContact O-OG1 2.92Å; R182-T185 VanDerWaalsContact O-OG1 3.08Å; E183-T185 PolarHBondContact O-N 3.24Å; T185-G187 PolarHBondContact O-N 3.23Å; T185-G187 VanDerWaalsContact O-N 3.15Å
186L45.3Very low40.7Very low120 Ų120105.2 Ų105.263%0.62854%0.535SS*.SBendtrans83.5-29147.6-61.2158.5000119.1R190L186-R190 WeakPolarHBondContact O-CB 3.45Å
187G43.7Very low40.6Very low53 Ų53106.1 Ų106.155%0.54655%0.546SS..Hα-helixtrans-78.7-53.4-179.900000114.1T185 S191T185-G187 PolarHBondContact O-N 3.23Å; T185-G187 VanDerWaalsContact O-N 3.15Å; G187-S191 PolarHBondContact O-N 2.88Å; G187-S191 PolarHBondContact O-OG 2.84Å
188Q40.1Very low40.1Very low88 Ų88103.9 Ų103.941%0.41155%0.547SS..Hα-helixtrans-83-26.5-171.3-70.3174.6-48.200113.4R190 S191 S192Q188-R190 VanDerWaalsContact C-N 3.31Å; Q188-S191 PolarHBondContact O-OG 3.39Å; Q188-S192 WeakPolarHBondContact O-CB 3.47Å; Q188-S192 PolarHBondContact O-N 2.93Å; Q188-S192 PolarHBondContact O-OG 3Å
189I45.1Very low39.6Very low81 Ų81109.7 Ų109.742%0.41557%0.574SS.*Hα-helixtrans-71.2-29.9174.9-59.8174.2000110.7F15 S192 T193F15-I189 HydrophobicContact CD2-CD1 3.91Å; F15-I189 HydrophobicContact CE2-CD1 4.02Å; I189-S192 PolarHBondContact O-OG 3.03Å; I189-T193 PolarHBondContact O-OG1 2.79Å
190R40.7Very low39.1Very low207 Ų207113.6 Ų113.678%0.78159%0.592SS**Hα-helixtrans-86.3-29.9-177.6-155.1179.1-173.1-169.52.1113.3L186 Q188 T193L186-R190 WeakPolarHBondContact O-CB 3.45Å; Q188-R190 VanDerWaalsContact C-N 3.31Å; R190-T193 PolarHBondContact O-OG1 2.92Å
191S34.8Very low38.7Very low80 Ų80112.7 Ų112.756%0.55960%0.595SS**Hα-helixtrans-83-26.5177.363.70000113.4G187 Q188 T193G187-S191 PolarHBondContact O-N 2.88Å; G187-S191 PolarHBondContact O-OG 2.84Å; Q188-S191 PolarHBondContact O-OG 3.39Å; S191-T193 VanDerWaalsContact C-N 3.27Å; S191-T193 PolarHBondContact O-N 3.16Å
192S40.2Very low38.6Very low72 Ų72118.4 Ų118.450%0.50363%0.625SS.*THydrogen-bonded Turntrans-76.2-12.2175.249.60000113.6Q188 I189Q188-S192 WeakPolarHBondContact O-CB 3.47Å; Q188-S192 PolarHBondContact O-N 2.93Å; Q188-S192 PolarHBondContact O-OG 3Å; I189-S192 PolarHBondContact O-OG 3.03Å
193T37.5Very low38Very low93 Ų93119 Ų11957%0.57164%0.637SS**THydrogen-bonded Turntrans-89.15.8178.75.30000115.3I189 R190 S191I189-T193 PolarHBondContact O-OG1 2.79Å; R190-T193 PolarHBondContact O-OG1 2.92Å; S191-T193 VanDerWaalsContact C-N 3.27Å; S191-T193 PolarHBondContact O-N 3.16Å
194M34.5Very low37.6Very low164 Ų164120.8 Ų120.881%0.80865%0.649SS**SBendtrans-116.915.4-173.6-74.4-89.3106.900115.2
195S34Very low36.9Very low100 Ų100124.5 Ų124.570%0.69967%0.669SS**SBendtrans-111.45-174-56.10000116.6
196N34.6Very low35.8Very low147 Ų147133.4 Ų133.479%0.78670%0.699SS**  trans-161.1125.3161.9-112.1-20.3000112.3D198N196-D198 PolarHBondContact O-N 3.47Å
197P35.9Very low35.3Very low118 Ų118135.7 Ų135.777%0.76670%0.704SS**SBendtrans-77.6-8.6-174.5-12.828.9000116.2
198D31.7Very low34.6Very low129 Ų129140.2 Ų140.269%0.6972%0.715SS**SBendtrans-107.62.1-154.5-71.3-30.4000118.1N196N196-D198 PolarHBondContact O-N 3.47Å
199H33.7Very low34.1Very low181 Ų181143.5 Ų143.584%0.83873%0.731SS**  trans-143.351-178.8-76.8-66.7000116
200F30.1Very low33.2Very low175 Ų175146.9 Ų146.977%0.76876%0.755SS**  trans-119.8123.5156.4-111.2-93.9000109.8Q202F200-Q202 PolarHBondContact O-N 3.16Å; F200-Q202 VanDerWaalsContact O-N 3.11Å
201P31.2Very low32.8Very low107 Ų107143 Ų14370%0.69576%0.76SS**  trans-63.2115.8171.2-15.828.9000109.3L203P201-L203 PolarHBondContact O-N 3.07Å
202Q40.1Very low32.4Very low194 Ų194142.7 Ų142.791%0.90777%0.768SS**  trans-59.7101.4165.3-69.1177.34.800109.1F200F200-Q202 PolarHBondContact O-N 3.16Å; F200-Q202 VanDerWaalsContact O-N 3.11Å
203L30.9Very low31.9Very low143 Ų143149.1 Ų149.175%0.74979%0.787SS**  trans-127.795.7168.6-83.7166.5000111.6P201P201-L203 PolarHBondContact O-N 3.07Å
204L31.4Very low32.3Very low149 Ų149149.4 Ų149.478%0.7880%0.799SS**  trans80.277139.6-54.9176.3000119.4
205L30.2Very low32Very low179 Ų179147 Ų14794%0.93779%0.793SS**  -75.5108.2129.6-91158.2000108K207L205-K207 PolarHBondContact O-N 3.02Å
206R27.1Very low32.4Very low222 Ų222148.7 Ų148.784%0.83880%0.804SS**  trans-63.1115.3174.9-161.6179.1-171.9167.72.4108.9D208R206-D208 PolarHBondContact O-N 3.34Å
207K34.2Very low32.1Very low167 Ų167147.6 Ų147.673%0.72680%0.797SS**  trans-81.5104175.1-170.6177-169.2173.40108.4L205 Q209L205-K207 PolarHBondContact O-N 3.02Å; K207-Q209 HydrophobicContact CG-CG 4.33Å
208D28.7Very low32Very low148 Ų148148.1 Ų148.179%0.79179%0.792SS**  trans-93119.6158.4-84-19000109R206R206-D208 PolarHBondContact O-N 3.34Å
209Q30.2Very low32.1Very low158 Ų158149.9 Ų149.974%0.73880%0.796SS**  trans-86.4125175.8-60.3-177.116.900108.9K207K207-Q209 HydrophobicContact CG-CG 4.33Å
210V26.5Very low32Very low152 Ų152150.3 Ų150.392%0.92180%0.799SS**  trans-131.4126.9144.8-178.60000108.6
211S31Very low32.2Very low126 Ų126150 Ų15088%0.88180%0.803SS**  trans-67.6140.2-177.8176.40000113
212G27.4Very low32.7Very low72 Ų72149.7 Ų149.774%0.74280%0.804SS**  trans178.4117.9167.900000113.2
213K29.8Very low32.7Very low208 Ų208145.6 Ų145.690%0.90480%0.796SS**  trans-50150.5-177.2-80.6166.4168.41760115.5
214A44.7Very low33.2Very low99 Ų99143.8 Ų143.882%0.81879%0.792SS**  trans-50.4127.5173.800000114.2
215V28.2Very low33.6Very low113 Ų113143.8 Ų143.869%0.68579%0.787SS**  trans-140.6122.2140.7-169.90000106.7L217V215-L217 HydrophobicContact CB-CD1 4.09Å; V215-L217 HydrophobicContact CG1-CB 4.5Å; V215-L217 HydrophobicContact CG1-CD1 3.47Å; V215-L217 VanDerWaalsContact CG1-CD1 3.47Å; V215-L217 HydrophobicContact CG1-CG 3.66Å; V215-L217 PolarHBondContact O-N 3.48Å
216C41.8Very low34.1Very low136 Ų136142.1 Ų142.192%0.91978%0.778SS**  trans-69.2106.8165.1-172.20000107.1
217L29.9Very low34.7Very low123 Ų123139 Ų13964%0.64477%0.773SS**  trans-143.698.4174.6-86.7163.1000106.9V215V215-L217 HydrophobicContact CB-CD1 4.09Å; V215-L217 HydrophobicContact CG1-CB 4.5Å; V215-L217 HydrophobicContact CG1-CD1 3.47Å; V215-L217 VanDerWaalsContact CG1-CD1 3.47Å; V215-L217 HydrophobicContact CG1-CG 3.66Å; V215-L217 PolarHBondContact O-N 3.48Å
218I33.7Very low35.3Very low130 Ų130134.6 Ų134.667%0.66776%0.76SS**  trans62.6136.1134.3-62.7176.3000115.6
219E33.7Very low36.4Very low166 Ų166133.9 Ų133.978%0.77675%0.752SS**  cis-163.5151.65.3-117159.1-177.700105.3I221E219-I221 PolarHBondContact O-N 3.42Å
220E31.7Very low38Very low189 Ų189131.1 Ų131.188%0.88374%0.741SS**  trans-71.5110.2177.6-151.8178.6-172.600110.1S222E220-S222 PolarHBondContact O-N 3.3Å
221I34.5Very low40.4Very low168 Ų168129.5 Ų129.586%0.86272%0.722SS**  trans-83.995.3173.6-5.8176.3000108.3E219E219-I221 PolarHBondContact O-N 3.42Å
222S41.3Very low42.5Very low101 Ų101129.7 Ų129.771%0.70671%0.711SS**  trans-83.2115.7168.441.30000109.2E220E220-S222 PolarHBondContact O-N 3.3Å
223S40.5Very low45.3Very low108 Ų108126.5 Ų126.576%0.75568%0.678SS**  trans178.9133.6169.5-84.50000109.6
224T40.6Very low48Very low106 Ų106119.6 Ų119.665%0.6566%0.659SS**  cis-167.2106.9-7.3-17.90000105.7M1M1-T224 VanDerWaalsContact CE-O 3.25Å; M1-T224 WeakPolarHBondContact CE-O 3.47Å
225E40.5Very low50Low148 Ų148120.1 Ų120.169%0.69264%0.641SS**  trans-100.1118.2155.8-96.1173.7170.200105.3M1 Q227M1-E225 HydrophobicContact CE-CG 3.97Å; M1-E225 HydrophobicContact SD-CG 3.63Å; E225-Q227 PolarHBondContact O-N 2.99Å
226I40.1Very low52.9Low145 Ų145119 Ų11974%0.74463%0.628SS**  trans-67.885.3-179.8-59.1166.7000107.4V228I226-V228 HydrophobicContact CG2-CG2 3.71Å; I226-V228 PolarHBondContact O-N 3Å
227Q40.6Very low55Low155 Ų155115.3 Ų115.372%0.72460%0.599SS**  trans-71.3108149.3-63.6-175.72.900104.5E225 E229E225-Q227 PolarHBondContact O-N 2.99Å; Q227-E229 PolarHBondContact O-N 3.33Å
228V46.7Very low57.7Low75 Ų75114.4 Ų114.446%0.45559%0.59SS.*  trans-70.590.4168.9-169.90000105.5I226 I230 E280I226-V228 HydrophobicContact CG2-CG2 3.71Å; I226-V228 PolarHBondContact O-N 3Å; V228-I230 PolarHBondContact O-N 3.35Å; V228-E280 HydrophobicContact CG1-CB 4.28Å; V228-E280 WeakPolarHBondContact CG1-O 3.27Å
229E51.1Low60.2Low134 Ų134110.9 Ų110.963%0.62657%0.572SS**  trans-58.8106.8167.6-74.8179.9163.600107.2Q227 K231Q227-E229 PolarHBondContact O-N 3.33Å; E229-K231 WeakPolarHBondContact O-CG 3.32Å; E229-K231 PolarHBondContact O-N 3.01Å; E229-K231 VanDerWaalsContact O-N 3.09Å
230I63Low62.7Low100 Ų100105.3 Ų105.351%0.51355%0.549SS..  trans-66.4108.9171.9-59172.4000106.5V228 R283V228-I230 PolarHBondContact O-N 3.35Å; I230-R283 HydrophobicContact CG2-CB 3.46Å; I230-R283 VanDerWaalsContact CG2-CB 3.46Å
231K77Confident65.3Low117 Ų117100.9 Ų100.951%0.50953%0.528SS..BIsolated β-bridgetrans-88.1144.1-175.9-66.7-179.5-175.7-174.90110.5E229 P233 K281 Y282 R283E229-K231 WeakPolarHBondContact O-CG 3.32Å; E229-K231 PolarHBondContact O-N 3.01Å; E229-K231 VanDerWaalsContact O-N 3.09Å; K231-P233 WeakPolarHBondContact O-CD 3.41Å; K231-K281 PolarHBondContact N-O 3.47Å; K231-Y282 HydrophobicContact CB-CD1 3.94Å; K231-Y282 HydrophobicContact CB-CE1 3.95Å; K231-Y282 VanDerWaalsContact O-CA 3.28Å; K231-Y282 WeakPolarHBondContact O-CA 3.38Å; K231-Y282 WeakPolarHBondContact O-CD1 3.29Å; K231-R283 PolarHBondContact O-N 3.32Å
232I76.1Confident67.4Low130 Ų13095.6 Ų95.667%0.66750%0.502SS*.PPolyproline II helixtrans-78.6119.3165.1-57.9173.6000106.5Y235 L284I232-Y235 HydrophobicContact CG2-CE1 4.5Å; I232-L284 HydrophobicContact CG2-CD1 3.89Å
233P85.2Confident69.1Low6 Ų6100.2 Ų100.24%0.03951%0.512CS..PPolyproline II helixtrans-68.7152.417929.4-34.1000110.7K231 Y235 V254 E255 L256 Y282 L284K231-P233 WeakPolarHBondContact O-CD 3.41Å; P233-Y235 WeakPolarHBondContact O-CD1 3.29Å; P233-Y235 PolarHBondContact O-N 3.08Å; P233-V254 HydrophobicContact CB-CG1 3.67Å; P233-V254 HydrophobicContact CG-CG1 3.53Å; P233-E255 WeakPolarHBondContact CB-O 3.48Å; P233-L256 HydrophobicContact CB-CD2 3.73Å; P233-L256 HydrophobicContact CG-CD2 4.06Å; P233-Y282 HydrophobicContact CB-CD1 3.89Å; P233-Y282 HydrophobicContact CB-CE1 4.43Å; P233-Y282 HydrophobicContact CB-CG 4.33Å; P233-Y282 HydrophobicContact CG-CD1 4.46Å; P233-L284 HydrophobicContact CG-CB 3.88Å; P233-L284 HydrophobicContact CG-CD2 4.14Å; P233-L284 HydrophobicContact CG-CG 4.47Å
234A86.3Confident70.8Confident62 Ų62101.1 Ų101.151%0.51251%0.508SS..EExtended strand (participates in β ladder)trans-65.7129.5171.600000108.8E255A234-E255 HydrophobicContact CB-CB 4.41Å; A234-E255 PolarHBondContact O-N 3.39Å
235Y87.4Confident72.4Confident110 Ų110104.3 Ų104.343%0.43152%0.516SS..EExtended strand (participates in β ladder)trans-139.3154-178.572.2-87.9000111.7I232 P233 L252 K253 L284 L286I232-Y235 HydrophobicContact CG2-CE1 4.5Å; P233-Y235 WeakPolarHBondContact O-CD1 3.29Å; P233-Y235 PolarHBondContact O-N 3.08Å; Y235-L252 HydrophobicContact CD2-CD1 3.93Å; Y235-L252 HydrophobicContact CG-CD1 4.38Å; Y235-K253 CarbonylContact C-O 3.59Å; Y235-K253 WeakPolarHBondContact CA-O 3.44Å; Y235-L284 HydrophobicContact CD1-CD1 3.61Å; Y235-L284 HydrophobicContact CD1-CD2 4.07Å; Y235-L284 HydrophobicContact CE1-CD1 3.69Å; Y235-L284 HydrophobicContact CG-CD1 4.31Å; Y235-L284 HydrophobicContact CG-CD2 4.04Å; Y235-L286 HydrophobicContact CD2-CD1 3.73Å; Y235-L286 HydrophobicContact CD2-CD2 4.44Å; Y235-L286 HydrophobicContact CE1-CD2 4.15Å; Y235-L286 HydrophobicContact CE2-CD1 3.73Å; Y235-L286 HydrophobicContact CE2-CD2 3.67Å; Y235-L286 HydrophobicContact CE2-CG 4.37Å; Y235-L286 HydrophobicContact CG-CD1 4.28Å; Y235-L286 WeakPolarHBondContact OH-CD2 3.38Å
236E89.3Confident74.1Confident90 Ų90103.9 Ų103.942%0.42151%0.511SS..EExtended strand (participates in β ladder)trans-132.7121.5174.9-170.3-179.5-153.300108.7K238 K253E236-K238 HydrophobicContact CG-CD 4.46Å; E236-K238 HydrophobicContact CG-CG 4.34Å; E236-K238 WeakPolarHBondContact OE1-CE 3.4Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.48Å; E236-K238 IonicContact OE2-NZ 2.81Å; E236-K238 PolarHBondContact OE2-NZ 3.11Å; E236-K253 PolarHBondContact N-O 3Å; E236-K253 PolarHBondContact O-N 3.23Å
237L86.3Confident76Confident59 Ų5999.1 Ų99.131%0.30949%0.49SS..EExtended strand (participates in β ladder)trans-108.5123.8178.1-17371.9000109.2T250 L252 P289 M312L237-T250 HydrophobicContact CD1-CG2 3.4Å; L237-T250 HydrophobicContact CG-CG2 4Å; L237-L252 HydrophobicContact CB-CD1 4.33Å; L237-L252 HydrophobicContact CD1-CB 3.77Å; L237-L252 HydrophobicContact CD1-CD1 4.06Å; L237-L252 HydrophobicContact CD1-CG 4.4Å; L237-P289 HydrophobicContact CD2-CG 4.31Å; L237-M312 HydrophobicContact CD1-CE 4.31Å
238K87.3Confident78.2Confident104 Ų10496.4 Ų96.445%0.45248%0.48SS..EExtended strand (participates in β ladder)trans-128.2137.3-178.8-74.6174.2170.7150.60111.1E236 T250 E251E236-K238 HydrophobicContact CG-CD 4.46Å; E236-K238 HydrophobicContact CG-CG 4.34Å; E236-K238 WeakPolarHBondContact OE1-CE 3.4Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.48Å; E236-K238 IonicContact OE2-NZ 2.81Å; E236-K238 PolarHBondContact OE2-NZ 3.11Å; K238-T250 CarbonylContact O-C 3.57Å; K238-T250 WeakPolarHBondContact O-CA 3.26Å; K238-E251 PolarHBondContact N-O 3.25Å; K238-E251 PolarHBondContact O-N 3.25Å
239I85.2Confident80.1Confident55 Ų5595.7 Ų95.728%0.28247%0.471SS..EExtended strand (participates in β ladder)trans-93119.4167.3-57.8175.2000107.3H241 P247 P289I239-H241 PolarHBondContact O-CE1 3.44Å; I239-H241 VanDerWaalsContact O-CE1 3.3Å; I239-H241 PolarHBondContact O-ND1 3.02Å; I239-P247 HydrophobicContact CG2-CB 3.62Å; I239-P289 HydrophobicContact CD1-CB 4.32Å; I239-P289 HydrophobicContact CD1-CG 3.91Å; I239-P289 HydrophobicContact CG1-CG 4.28Å
240V85.7Confident81.8Confident49 Ų4989.3 Ų89.330%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-91.4130.2176.6-177.30000108.4L248 K249 E251V240-L248 PolarHBondContact O-N 3.35Å; V240-K249 HydrophobicContact CB-CG 3.74Å; V240-K249 HydrophobicContact CG1-CG 4.37Å; V240-K249 HydrophobicContact CG2-CG 4.24Å; V240-K249 PolarHBondContact N-O 3.07Å; V240-K249 PolarHBondContact O-N 3.3Å; V240-E251 HydrophobicContact CG2-CB 4.31Å
241H86.3Confident83Confident97 Ų9787.6 Ų87.645%0.44943%0.431SS..EExtended strand (participates in β ladder)trans-103.7154.2-178.6-55.379.1000110.6I239 E245 K246I239-H241 PolarHBondContact O-CE1 3.44Å; I239-H241 VanDerWaalsContact O-CE1 3.3Å; I239-H241 PolarHBondContact O-ND1 3.02Å; H241-E245 PolarHBondContact CD2-O 3.14Å; H241-K246 CarbonylContact C-O 3.44Å; H241-K246 WeakPolarHBondContact CA-O 3.48Å
242D80Confident83.6Confident57 Ų5782 Ų8231%0.30541%0.407SS..  trans-76.1-178.8170.773.71.1000111.8N244 E245 K246 L248D242-N244 PolarHBondContact O-N 3.31Å; D242-N244 VanDerWaalsContact OD1-CA 3.26Å; D242-N244 WeakPolarHBondContact OD1-CA 3.25Å; D242-N244 WeakPolarHBondContact OD1-CB 3.46Å; D242-N244 PolarHBondContact OD1-N 2.87Å; D242-E245 PolarHBondContact O-N 3.43Å; D242-E245 PolarHBondContact OD1-N 2.73Å; D242-E245 VanDerWaalsContact OD1-N 3.15Å; D242-K246 PolarHBondContact N-O 3.13Å; D242-K246 PolarHBondContact OD1-N 3.18Å; D242-L248 HydrophobicContact CB-CD1 4.39Å
243H76.7Confident84.2Confident198 Ų19879.4 Ų79.492%0.91739%0.39SS*.THydrogen-bonded Turntrans-62.1-10.4176.8-62.8-64.4000114.2
244N75.6Confident84.3Confident127 Ų12779.1 Ų79.168%0.67939%0.389SS*.THydrogen-bonded Turntrans-110.319-179.5-67-17.2000112.4D242 K246D242-N244 PolarHBondContact O-N 3.31Å; D242-N244 VanDerWaalsContact OD1-CA 3.26Å; D242-N244 WeakPolarHBondContact OD1-CA 3.25Å; D242-N244 WeakPolarHBondContact OD1-CB 3.46Å; D242-N244 PolarHBondContact OD1-N 2.87Å; N244-K246 PolarHBondContact O-N 3.13Å; N244-K246 VanDerWaalsContact O-N 3.14Å
245E74.3Confident84.4Confident173 Ų17380.6 Ų80.681%0.80839%0.385SS*.SBendtrans59.817.3-177.4-58-173163.500114.7H241 D242H241-E245 PolarHBondContact CD2-O 3.14Å; D242-E245 PolarHBondContact O-N 3.43Å; D242-E245 PolarHBondContact OD1-N 2.73Å; D242-E245 VanDerWaalsContact OD1-N 3.15Å
246K75.9Confident84.3Confident138 Ų13875.3 Ų75.360%0.636%0.364SS*.  trans-85.3135.2173.2-70.5-176.3178.6-179.10110.5H241 D242 N244 L248H241-K246 CarbonylContact C-O 3.44Å; H241-K246 WeakPolarHBondContact CA-O 3.48Å; D242-K246 PolarHBondContact N-O 3.13Å; D242-K246 PolarHBondContact OD1-N 3.18Å; N244-K246 PolarHBondContact O-N 3.13Å; N244-K246 VanDerWaalsContact O-N 3.14Å; K246-L248 PolarHBondContact O-N 2.78Å
247P79.9Confident83.8Confident45 Ų4574.6 Ų74.629%0.29237%0.367SS..EExtended strand (participates in β ladder)trans-66.5120.6179.734.2-40.1000108.8I239 K290 L314I239-P247 HydrophobicContact CG2-CB 3.62Å; P247-K290 HydrophobicContact CB-CD 4.35Å; P247-K290 HydrophobicContact CG-CD 4.33Å; P247-K290 VanDerWaalsContact CG-NZ 3.26Å; P247-L314 HydrophobicContact CB-CD1 3.62Å; P247-L314 HydrophobicContact CG-CD1 4.13Å
248L86.1Confident83.1Confident99 Ų9974.7 Ų74.752%0.51838%0.382SS..EExtended strand (participates in β ladder)trans-103-42.8-174.9-170.489.9000111.5V240 D242 K246 L314V240-L248 PolarHBondContact O-N 3.35Å; D242-L248 HydrophobicContact CB-CD1 4.39Å; K246-L248 PolarHBondContact O-N 2.78Å; L248-L314 PolarHBondContact O-N 2.85Å
249K87.3Confident82.6Confident60 Ų6070.2 Ų70.226%0.26136%0.363SS..EExtended strand (participates in β ladder)trans-155154.8-174.761.8-178.2-173.3160.10110.8V240 E251 T311 M312V240-K249 HydrophobicContact CB-CG 3.74Å; V240-K249 HydrophobicContact CG1-CG 4.37Å; V240-K249 HydrophobicContact CG2-CG 4.24Å; V240-K249 PolarHBondContact N-O 3.07Å; V240-K249 PolarHBondContact O-N 3.3Å; K249-E251 IonicContact NZ-OE2 3.73Å; K249-T311 HydrophobicContact CD-CG2 3.88Å; K249-M312 CarbonylContact C-O 3.56Å; K249-M312 WeakPolarHBondContact CA-O 3.31Å
250T86.2Confident81.5Confident0 Ų073.8 Ų73.80%038%0.383CS..EExtended strand (participates in β ladder)trans-103.1128.7170.7-570000108.8L237 K238 L288 M312 L314L237-T250 HydrophobicContact CD1-CG2 3.4Å; L237-T250 HydrophobicContact CG-CG2 4Å; K238-T250 CarbonylContact O-C 3.57Å; K238-T250 WeakPolarHBondContact O-CA 3.26Å; T250-L288 HydrophobicContact CG2-CD2 4.44Å; T250-M312 HydrophobicContact CG2-CE 3.81Å; T250-M312 PolarHBondContact N-O 3.42Å; T250-M312 PolarHBondContact O-N 3.48Å; T250-L314 WeakPolarHBondContact OG1-CD2 3.44Å
251E89.8Confident80.5Confident64 Ų6473.2 Ų73.230%0.29938%0.381SS..EExtended strand (participates in β ladder)trans-114.2122.6176.9-164.7173.9122.700109K238 V240 K249 I309 I310K238-E251 PolarHBondContact N-O 3.25Å; K238-E251 PolarHBondContact O-N 3.25Å; V240-E251 HydrophobicContact CG2-CB 4.31Å; K249-E251 IonicContact NZ-OE2 3.73Å; E251-I309 HydrophobicContact CG-CG2 4.15Å; E251-I310 WeakPolarHBondContact CA-O 3.27Å
252L88.7Confident79.5Confident0 Ų072.5 Ų72.50%038%0.383CS..EExtended strand (participates in β ladder)trans-111.4121.1176.8172.761.5000109.2Y235 L237 V254 L274 I276 L286 I309 I310 M312Y235-L252 HydrophobicContact CD2-CD1 3.93Å; Y235-L252 HydrophobicContact CG-CD1 4.38Å; L237-L252 HydrophobicContact CB-CD1 4.33Å; L237-L252 HydrophobicContact CD1-CB 3.77Å; L237-L252 HydrophobicContact CD1-CD1 4.06Å; L237-L252 HydrophobicContact CD1-CG 4.4Å; L252-V254 HydrophobicContact CD1-CG2 3.89Å; L252-V254 HydrophobicContact CD2-CG2 3.97Å; L252-V254 HydrophobicContact CG-CG2 3.67Å; L252-L274 HydrophobicContact CD2-CD1 3.58Å; L252-L274 HydrophobicContact CD2-CD2 3.5Å; L252-L274 HydrophobicContact CD2-CG 4.19Å; L252-I276 HydrophobicContact CD2-CD1 4.39Å; L252-L286 HydrophobicContact CD1-CD1 3.89Å; L252-L286 HydrophobicContact CD2-CD1 3.91Å; L252-I309 CarbonylContact O-C 3.58Å; L252-I309 WeakPolarHBondContact O-CA 3.26Å; L252-I310 HydrophobicContact CB-CB 4.29Å; L252-I310 HydrophobicContact CD2-CD1 3.96Å; L252-I310 HydrophobicContact CG-CD1 4.49Å; L252-I310 PolarHBondContact N-O 2.89Å; L252-I310 PolarHBondContact O-N 3.47Å; L252-M312 HydrophobicContact CB-CE 3.81Å
253K89.3Confident79Confident75 Ų7574.2 Ų74.233%0.32640%0.4SS..EExtended strand (participates in β ladder)trans-107.4123.9173.3-174.4-173.6174.8-156.70108.8Y235 E236 E255 T307 I309Y235-K253 CarbonylContact C-O 3.59Å; Y235-K253 WeakPolarHBondContact CA-O 3.44Å; E236-K253 PolarHBondContact N-O 3Å; E236-K253 PolarHBondContact O-N 3.23Å; K253-E255 IonicContact NZ-OE1 3.68Å; K253-T307 HydrophobicContact CD-CG2 4.16Å; K253-T307 HydrophobicContact CG-CG2 3.5Å; K253-T307 VanDerWaalsContact CG-CG2 3.5Å; K253-I309 HydrophobicContact CG-CG1 4.5Å
254V87.9Confident78.5Confident0 Ų067.9 Ų67.90%037%0.372CS..EExtended strand (participates in β ladder)trans-124.1125-179.6-170.60000109.7P233 L252 L256 I276 L284 T307 L308P233-V254 HydrophobicContact CB-CG1 3.67Å; P233-V254 HydrophobicContact CG-CG1 3.53Å; L252-V254 HydrophobicContact CD1-CG2 3.89Å; L252-V254 HydrophobicContact CD2-CG2 3.97Å; L252-V254 HydrophobicContact CG-CG2 3.67Å; V254-L256 HydrophobicContact CG1-CD2 3.87Å; V254-L256 HydrophobicContact CG1-CG 4.09Å; V254-I276 HydrophobicContact CB-CD1 4.4Å; V254-I276 HydrophobicContact CG1-CD1 4.47Å; V254-I276 HydrophobicContact CG2-CD1 3.69Å; V254-L284 HydrophobicContact CG1-CD2 4.08Å; V254-L284 HydrophobicContact CG2-CD2 3.89Å; V254-T307 CarbonylContact O-C 3.59Å; V254-T307 WeakPolarHBondContact O-CA 3.43Å; V254-L308 HydrophobicContact CB-CB 4.4Å; V254-L308 PolarHBondContact N-O 2.95Å; V254-L308 PolarHBondContact O-N 3.5Å
255E88.1Confident78.4Confident92 Ų9263.1 Ų63.143%0.4335%0.349SS..EExtended strand (participates in β ladder)trans-91.3118.5177.5-61.6-174.6176.100109.7P233 A234 K253 P257P233-E255 WeakPolarHBondContact CB-O 3.48Å; A234-E255 HydrophobicContact CB-CB 4.41Å; A234-E255 PolarHBondContact O-N 3.39Å; K253-E255 IonicContact NZ-OE1 3.68Å; E255-P257 VanDerWaalsContact O-CD 3.24Å; E255-P257 WeakPolarHBondContact O-CD 3.13Å
256L84.3Confident78.9Confident0 Ų060 Ų600%034%0.338CS..  trans-120.363.4-174.6-62.6174.1000110.6P233 V254 G258 I259 V278 Y282 F301 S306 L308P233-L256 HydrophobicContact CB-CD2 3.73Å; P233-L256 HydrophobicContact CG-CD2 4.06Å; V254-L256 HydrophobicContact CG1-CD2 3.87Å; V254-L256 HydrophobicContact CG1-CG 4.09Å; L256-G258 PolarHBondContact O-N 2.97Å; L256-I259 HydrophobicContact CB-CB 4.36Å; L256-I259 HydrophobicContact CB-CG1 3.96Å; L256-I259 WeakPolarHBondContact O-CB 3.47Å; L256-I259 WeakPolarHBondContact O-CG1 3.31Å; L256-I259 PolarHBondContact O-N 3.34Å; L256-V278 HydrophobicContact CD1-CG2 4.25Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; L256-Y282 HydrophobicContact CD2-CD2 3.89Å; L256-Y282 HydrophobicContact CD2-CG 4Å; L256-F301 HydrophobicContact CB-CE2 4.47Å; L256-F301 HydrophobicContact CD1-CE2 4.4Å; L256-S306 CarbonylContact C-O 3.53Å; L256-S306 WeakPolarHBondContact CA-O 3.35Å; L256-S306 PolarHBondContact N-O 2.89Å; L256-S306 VanDerWaalsContact O-CB 3.23Å; L256-S306 WeakPolarHBondContact O-CB 3.24Å; L256-L308 HydrophobicContact CD1-CB 3.98Å; L256-L308 HydrophobicContact CD1-CD2 4.38Å
257P79.1Confident79.4Confident74 Ų7456.3 Ų56.348%0.48132%0.324SS..THydrogen-bonded Turntrans-60.3135.4-173.923.7-31.9000111.9E255 K281 Y282E255-P257 VanDerWaalsContact O-CD 3.24Å; E255-P257 WeakPolarHBondContact O-CD 3.13Å; P257-K281 PolarHBondContact O-NZ 3.45Å; P257-Y282 PolarHBondContact O-OH 2.79Å; P257-Y282 VanDerWaalsContact O-OH 3.14Å
258G72.1Confident79.7Confident61 Ų6157.6 Ų57.663%0.62933%0.334SS*.THydrogen-bonded Turntrans7919.1-178.800000114.5L256 K281L256-G258 PolarHBondContact O-N 2.97Å; G258-K281 PolarHBondContact O-NZ 2.86Å
259I75.9Confident79.7Confident10 Ų1055 Ų555%0.05132%0.322CS..  trans-100.6121.1164-57.1-55.7000108.5L256 S261 V278 K281 Y282 F301L256-I259 HydrophobicContact CB-CB 4.36Å; L256-I259 HydrophobicContact CB-CG1 3.96Å; L256-I259 WeakPolarHBondContact O-CB 3.47Å; L256-I259 WeakPolarHBondContact O-CG1 3.31Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-S261 VanDerWaalsContact CG2-O 3.3Å; I259-S261 WeakPolarHBondContact CG2-O 3.28Å; I259-V278 HydrophobicContact CD1-CG1 3.29Å; I259-V278 HydrophobicContact CG1-CG1 3.8Å; I259-K281 HydrophobicContact CD1-CD 4.12Å; I259-Y282 HydrophobicContact CD1-CE2 4.49Å; I259-Y282 HydrophobicContact CG1-CD2 4.48Å; I259-Y282 HydrophobicContact CG1-CE2 4.34Å; I259-F301 HydrophobicContact CB-CZ 4.2Å; I259-F301 HydrophobicContact CG2-CZ 4.06Å
260N63.3Low79.5Confident130 Ų13053.8 Ų53.870%0.69532%0.321SS*.  trans-107.8-8.8-177.358.74.3000113.1
261S64.6Low79.3Confident37 Ų3760.1 Ų60.126%0.25935%0.351SS..  trans-139.3137.6180-171.40000111.8I259 S263I259-S261 VanDerWaalsContact CG2-O 3.3Å; I259-S261 WeakPolarHBondContact CG2-O 3.28Å; S261-S263 PolarHBondContact O-N 2.75Å; S261-S263 PolarHBondContact OG-N 2.73Å; S261-S263 PolarHBondContact OG-OG 3.48Å
262V65.4Low79.1Confident83 Ų8362 Ų6250%0.50336%0.363SS..G310 helixtrans-69.5-21173.1-67.40000112.9L264 C265 F301V262-L264 PolarHBondContact O-N 2.84Å; V262-L264 VanDerWaalsContact O-N 3.08Å; V262-C265 PolarHBondContact O-N 3.32Å; V262-C265 VanDerWaalsContact O-N 3.07Å; V262-F301 HydrophobicContact CG1-CB 3.36Å; V262-F301 HydrophobicContact CG1-CD1 3.57Å; V262-F301 HydrophobicContact CG1-CG 3.65Å
263S68.6Low78.8Confident93 Ų9364.5 Ų64.565%0.6538%0.377SS*.G310 helixtrans-65.6-10.1178.563.20000114S261S261-S263 PolarHBondContact O-N 2.75Å; S261-S263 PolarHBondContact OG-N 2.73Å; S261-S263 PolarHBondContact OG-OG 3.48Å
264L66.3Low78.8Confident64 Ų6461 Ų6134%0.33536%0.361SS..G310 helixtrans-98.6-1.7178.9-59.9176.8000112.1V262 V278 S279V262-L264 PolarHBondContact O-N 2.84Å; V262-L264 VanDerWaalsContact O-N 3.08Å; L264-V278 VanDerWaalsContact O-CA 3.28Å; L264-V278 WeakPolarHBondContact O-CA 3.42Å; L264-V278 WeakPolarHBondContact O-CG1 3.48Å; L264-S279 WeakPolarHBondContact CB-OG 3.49Å; L264-S279 WeakPolarHBondContact CD2-OG 3.46Å; L264-S279 PolarHBondContact O-N 3.47Å
265C74.4Confident78.8Confident27 Ų2763.3 Ų63.318%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-114.5114.2-174.3-174.60000109.9V262 V278V262-C265 PolarHBondContact O-N 3.32Å; V262-C265 VanDerWaalsContact O-N 3.07Å; C265-V278 HydrophobicContact CB-CG2 4.18Å
266D83.3Confident78.6Confident109 Ų10959 Ų5958%0.58335%0.353SS*.EExtended strand (participates in β ladder)trans-96.2123.8172-68.6-43.9000109I276 E277D266-I276 WeakPolarHBondContact O-CA 3.5Å; D266-E277 PolarHBondContact N-O 3.39Å; D266-E277 PolarHBondContact O-N 2.92Å
267L86.9Confident78.6Confident59 Ų5963 Ų6331%0.30937%0.372SS..EExtended strand (participates in β ladder)trans-117.4119.5177.3172.363.6000109V269 I276 A299 I310L267-V269 HydrophobicContact CD1-CG2 3.72Å; L267-V269 HydrophobicContact CD2-CG2 4.19Å; L267-V269 HydrophobicContact CG-CG2 3.83Å; L267-I276 HydrophobicContact CD1-CG1 3.7Å; L267-A299 HydrophobicContact CD2-CB 3.46Å; L267-A299 VanDerWaalsContact CD2-CB 3.46Å; L267-I310 HydrophobicContact CD1-CD1 3.6Å; L267-I310 HydrophobicContact CD2-CD1 3.95Å; L267-I310 HydrophobicContact CD2-CG1 4.05Å; L267-I310 HydrophobicContact CD2-CG2 4.45Å; L267-I310 HydrophobicContact CG-CD1 4.46Å
268S85.7Confident78.7Confident72 Ų7259.5 Ų59.550%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-114.8129.7171.4-62.20000108.8L274 L275S268-L274 CarbonylContact O-C 3.55Å; S268-L274 WeakPolarHBondContact O-CA 3.44Å; S268-L275 PolarHBondContact N-O 3.45Å; S268-L275 PolarHBondContact O-N 2.93Å
269V86.9Confident78.3Confident45 Ų4560.1 Ų60.127%0.27334%0.344SS..EExtended strand (participates in β ladder)trans-129.5131.3-178.6-178.30000108.6L267 L274 I292 T297L267-V269 HydrophobicContact CD1-CG2 3.72Å; L267-V269 HydrophobicContact CD2-CG2 4.19Å; L267-V269 HydrophobicContact CG-CG2 3.83Å; V269-L274 HydrophobicContact CG2-CB 4.37Å; V269-I292 HydrophobicContact CG1-CD1 3.33Å; V269-T297 HydrophobicContact CG1-CG2 4.26Å; V269-T297 HydrophobicContact CG2-CG2 4.4Å
270S83.8Confident77.8Confident34 Ų3466.4 Ų66.424%0.23837%0.373CS..  trans-117.4-176.4172.378.10000110.5D272 D273 I292 T294S270-D272 VanDerWaalsContact C-N 3.27Å; S270-D272 PolarHBondContact O-N 2.94Å; S270-D272 PolarHBondContact OG-N 3.37Å; S270-D272 PolarHBondContact OG-OD1 3.42Å; S270-D273 WeakPolarHBondContact CB-OD1 3.16Å; S270-D273 PolarHBondContact N-O 3.27Å; S270-D273 PolarHBondContact OG-N 3.35Å; S270-D273 PolarHBondContact OG-O 2.9Å; S270-D273 VanDerWaalsContact OG-O 3.13Å; S270-D273 PolarHBondContact OG-OD1 3.07Å; S270-I292 WeakPolarHBondContact O-CD1 3.33Å; S270-I292 WeakPolarHBondContact O-CG1 3.49Å; S270-T294 VanDerWaalsContact C-CG2 3.46Å
271E81.9Confident78.3Confident134 Ų13463.6 Ų63.663%0.62636%0.355SS*.SBendtrans-63-35178.7-67.8-179.4-174.400111.9P291 I292 T294E271-P291 VanDerWaalsContact O-CA 3.23Å; E271-P291 WeakPolarHBondContact O-CA 3.33Å; E271-I292 PolarHBondContact O-N 3.3Å; E271-T294 HydrophobicContact CG-CG2 4.36Å
272D85.1Confident79Confident102 Ų10262.9 Ų62.955%0.54535%0.346SS..SBendtrans-126.3-5.8-170.162.7-30.7000114.8S270 L288S270-D272 VanDerWaalsContact C-N 3.27Å; S270-D272 PolarHBondContact O-N 2.94Å; S270-D272 PolarHBondContact OG-N 3.37Å; S270-D272 PolarHBondContact OG-OD1 3.42Å; D272-L288 WeakPolarHBondContact O-CB 3.34Å; D272-L288 PolarHBondContact O-N 2.92Å
273D82.8Confident79.9Confident54 Ų5465.1 Ų65.129%0.28935%0.346SS..EExtended strand (participates in β ladder)trans-142.8166.8175.972.424.6000113.9S270 H285 L286S270-D273 WeakPolarHBondContact CB-OD1 3.16Å; S270-D273 PolarHBondContact N-O 3.27Å; S270-D273 PolarHBondContact OG-N 3.35Å; S270-D273 PolarHBondContact OG-O 2.9Å; S270-D273 VanDerWaalsContact OG-O 3.13Å; S270-D273 PolarHBondContact OG-OD1 3.07Å; D273-H285 IonicContact OD2-NE2 3.9Å; D273-L286 CarbonylContact C-O 3.58Å; D273-L286 WeakPolarHBondContact CA-O 3.48Å
274L89.6Confident80.5Confident0 Ų060.9 Ų60.90%032%0.316CS..EExtended strand (participates in β ladder)trans-143.8150.3169.474.1101.1000111.7L252 S268 V269 I276 H285 L286 L288 M312L252-L274 HydrophobicContact CD2-CD1 3.58Å; L252-L274 HydrophobicContact CD2-CD2 3.5Å; L252-L274 HydrophobicContact CD2-CG 4.19Å; S268-L274 CarbonylContact O-C 3.55Å; S268-L274 WeakPolarHBondContact O-CA 3.44Å; V269-L274 HydrophobicContact CG2-CB 4.37Å; L274-I276 HydrophobicContact CD1-CD1 3.95Å; L274-I276 HydrophobicContact CD1-CG1 4.04Å; L274-H285 WeakPolarHBondContact O-CA 3.39Å; L274-H285 PolarHBondContact O-CD2 3.34Å; L274-L286 HydrophobicContact CD2-CB 4.24Å; L274-L286 HydrophobicContact CG-CB 4.12Å; L274-L286 PolarHBondContact N-O 3.03Å; L274-L286 PolarHBondContact O-N 2.93Å; L274-L288 HydrophobicContact CD2-CD2 3.65Å; L274-L288 HydrophobicContact CD2-CG 4.24Å; L274-M312 HydrophobicContact CD2-CE 4.27Å; L274-M312 HydrophobicContact CD2-SD 4.05Å
275L86.4Confident81.5Confident49 Ų4962.8 Ų62.826%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-129.4128.1175.617767.2000110.2S268 R283 L284 H285S268-L275 PolarHBondContact N-O 3.45Å; S268-L275 PolarHBondContact O-N 2.93Å; L275-R283 HydrophobicContact CD1-CG 4.06Å; L275-L284 CarbonylContact C-O 3.58Å; L275-L284 WeakPolarHBondContact CA-O 3.47Å; L275-H285 HydrophobicContact CD1-CB 4.12Å
276I84.5Confident81.7Confident1 Ų162.4 Ų62.41%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-114.6125.6168.7-62.6158.7000108.3L252 V254 D266 L267 L274 V278 R283 L284 L308 I310L252-I276 HydrophobicContact CD2-CD1 4.39Å; V254-I276 HydrophobicContact CB-CD1 4.4Å; V254-I276 HydrophobicContact CG1-CD1 4.47Å; V254-I276 HydrophobicContact CG2-CD1 3.69Å; D266-I276 WeakPolarHBondContact O-CA 3.5Å; L267-I276 HydrophobicContact CD1-CG1 3.7Å; L274-I276 HydrophobicContact CD1-CD1 3.95Å; L274-I276 HydrophobicContact CD1-CG1 4.04Å; I276-V278 HydrophobicContact CG2-CG2 4.01Å; I276-R283 CarbonylContact O-C 3.57Å; I276-R283 WeakPolarHBondContact O-CA 3.45Å; I276-L284 HydrophobicContact CB-CB 4.32Å; I276-L284 HydrophobicContact CD1-CD2 4.07Å; I276-L284 PolarHBondContact N-O 3.23Å; I276-L284 PolarHBondContact O-N 3.32Å; I276-L308 HydrophobicContact CD1-CD2 4.07Å; I276-L308 HydrophobicContact CG1-CD2 4.35Å; I276-L308 HydrophobicContact CG2-CD2 4.48Å; I276-I310 HydrophobicContact CD1-CD1 3.78Å; I276-I310 HydrophobicContact CG1-CD1 4.31Å
277E84.7Confident81.4Confident86 Ų8663 Ų6340%0.40232%0.322SS..EExtended strand (participates in β ladder)trans-126.3131.6174.2-169.1164.696.400110.4D266 R283D266-E277 PolarHBondContact N-O 3.39Å; D266-E277 PolarHBondContact O-N 2.92Å; E277-R283 IonicContact OE2-NE 3.93Å
278V80.6Confident81.3Confident0 Ų060.9 Ų60.90%031%0.311CS..EExtended strand (participates in β ladder)trans-132.8100.7-176.3-173.30000110.8L256 I259 L264 C265 I276 E280 K281 Y282L256-V278 HydrophobicContact CD1-CG2 4.25Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; I259-V278 HydrophobicContact CD1-CG1 3.29Å; I259-V278 HydrophobicContact CG1-CG1 3.8Å; L264-V278 VanDerWaalsContact O-CA 3.28Å; L264-V278 WeakPolarHBondContact O-CA 3.42Å; L264-V278 WeakPolarHBondContact O-CG1 3.48Å; C265-V278 HydrophobicContact CB-CG2 4.18Å; I276-V278 HydrophobicContact CG2-CG2 4.01Å; V278-E280 VanDerWaalsContact C-N 3.27Å; V278-E280 PolarHBondContact O-N 3.22Å; V278-K281 WeakPolarHBondContact O-CA 3.02Å; V278-K281 WeakPolarHBondContact O-CB 3.19Å; V278-K281 PolarHBondContact O-N 2.84Å; V278-Y282 HydrophobicContact CB-CD2 4.35Å; V278-Y282 PolarHBondContact N-O 3.25Å; V278-Y282 PolarHBondContact O-N 2.8Å
279S64.1Low80.9Confident74 Ų7461 Ų6152%0.51731%0.31SS..THydrogen-bonded Turntrans27.356.8172.3-57.60000114.9L264 K281L264-S279 WeakPolarHBondContact CB-OG 3.49Å; L264-S279 WeakPolarHBondContact CD2-OG 3.46Å; L264-S279 PolarHBondContact O-N 3.47Å; S279-K281 PolarHBondContact O-N 2.91Å
280E65.6Low80.6Confident142 Ų14262.8 Ų62.866%0.66431%0.314SS*.THydrogen-bonded Turntrans62.91.8179.4-51.8-179.7173.700115.8V228 V278V228-E280 HydrophobicContact CG1-CB 4.28Å; V228-E280 WeakPolarHBondContact CG1-O 3.27Å; V278-E280 VanDerWaalsContact C-N 3.27Å; V278-E280 PolarHBondContact O-N 3.22Å
281K73.7Confident80.5Confident71 Ų7164.6 Ų64.631%0.30933%0.325SS..THydrogen-bonded Turntrans-94.1-41.5-177.3-167.9-178.5-177.2-170.40113.2K231 P257 G258 I259 V278 S279K231-K281 PolarHBondContact N-O 3.47Å; P257-K281 PolarHBondContact O-NZ 3.45Å; G258-K281 PolarHBondContact O-NZ 2.86Å; I259-K281 HydrophobicContact CD1-CD 4.12Å; V278-K281 WeakPolarHBondContact O-CA 3.02Å; V278-K281 WeakPolarHBondContact O-CB 3.19Å; V278-K281 PolarHBondContact O-N 2.84Å; S279-K281 PolarHBondContact O-N 2.91Å
282Y79.5Confident80.8Confident21 Ų2158.3 Ų58.38%0.08230%0.296CS..EExtended strand (participates in β ladder)trans-133.4139-179.1-59.7-73000111.5K231 P233 L256 P257 I259 V278K231-Y282 HydrophobicContact CB-CD1 3.94Å; K231-Y282 HydrophobicContact CB-CE1 3.95Å; K231-Y282 VanDerWaalsContact O-CA 3.28Å; K231-Y282 WeakPolarHBondContact O-CA 3.38Å; K231-Y282 WeakPolarHBondContact O-CD1 3.29Å; P233-Y282 HydrophobicContact CB-CD1 3.89Å; P233-Y282 HydrophobicContact CB-CE1 4.43Å; P233-Y282 HydrophobicContact CB-CG 4.33Å; P233-Y282 HydrophobicContact CG-CD1 4.46Å; L256-Y282 HydrophobicContact CD2-CD2 3.89Å; L256-Y282 HydrophobicContact CD2-CG 4Å; P257-Y282 PolarHBondContact O-OH 2.79Å; P257-Y282 VanDerWaalsContact O-OH 3.14Å; I259-Y282 HydrophobicContact CD1-CE2 4.49Å; I259-Y282 HydrophobicContact CG1-CD2 4.48Å; I259-Y282 HydrophobicContact CG1-CE2 4.34Å; V278-Y282 HydrophobicContact CB-CD2 4.35Å; V278-Y282 PolarHBondContact N-O 3.25Å; V278-Y282 PolarHBondContact O-N 2.8Å
283R83.6Confident80.9Confident130 Ų13056 Ų5649%0.49128%0.284SS..EExtended strand (participates in β ladder)trans-139125.4168-171.5174.7171.7-172.20.3109.7I230 K231 L275 I276 E277I230-R283 HydrophobicContact CG2-CB 3.46Å; I230-R283 VanDerWaalsContact CG2-CB 3.46Å; K231-R283 PolarHBondContact O-N 3.32Å; L275-R283 HydrophobicContact CD1-CG 4.06Å; I276-R283 CarbonylContact O-C 3.57Å; I276-R283 WeakPolarHBondContact O-CA 3.45Å; E277-R283 IonicContact OE2-NE 3.93Å
284L81.7Confident81Confident5 Ų556.4 Ų56.43%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-130.9118.6179.3179.465000109.2I232 P233 Y235 V254 L275 I276 L286I232-L284 HydrophobicContact CG2-CD1 3.89Å; P233-L284 HydrophobicContact CG-CB 3.88Å; P233-L284 HydrophobicContact CG-CD2 4.14Å; P233-L284 HydrophobicContact CG-CG 4.47Å; Y235-L284 HydrophobicContact CD1-CD1 3.61Å; Y235-L284 HydrophobicContact CD1-CD2 4.07Å; Y235-L284 HydrophobicContact CE1-CD1 3.69Å; Y235-L284 HydrophobicContact CG-CD1 4.31Å; Y235-L284 HydrophobicContact CG-CD2 4.04Å; V254-L284 HydrophobicContact CG1-CD2 4.08Å; V254-L284 HydrophobicContact CG2-CD2 3.89Å; L275-L284 CarbonylContact C-O 3.58Å; L275-L284 WeakPolarHBondContact CA-O 3.47Å; I276-L284 HydrophobicContact CB-CB 4.32Å; I276-L284 HydrophobicContact CD1-CD2 4.07Å; I276-L284 PolarHBondContact N-O 3.23Å; I276-L284 PolarHBondContact O-N 3.32Å; L284-L286 HydrophobicContact CD1-CD1 4.17Å; L284-L286 HydrophobicContact CD1-CD2 3.95Å; L284-L286 HydrophobicContact CD1-CG 3.88Å; L284-L286 HydrophobicContact CD2-CD1 3.84Å; L284-L286 HydrophobicContact CD2-CG 4.3Å; L284-L286 HydrophobicContact CG-CD1 4.02Å; L284-L286 HydrophobicContact CG-CG 3.92Å
285H86.4Confident80.8Confident103 Ų10365 Ų6548%0.47733%0.328SS..EExtended strand (participates in β ladder)trans-116124.2172.1-179.7-125.4000108.8D273 L274 L275D273-H285 IonicContact OD2-NE2 3.9Å; L274-H285 WeakPolarHBondContact O-CA 3.39Å; L274-H285 PolarHBondContact O-CD2 3.34Å; L275-H285 HydrophobicContact CD1-CB 4.12Å
286L78.9Confident80.8Confident19 Ų1968.7 Ų68.710%0.09935%0.346CS..EExtended strand (participates in β ladder)trans-131.6130.9-178.2-65.3174.6000110.6Y235 L252 D273 L274 L284Y235-L286 HydrophobicContact CD2-CD1 3.73Å; Y235-L286 HydrophobicContact CD2-CD2 4.44Å; Y235-L286 HydrophobicContact CE1-CD2 4.15Å; Y235-L286 HydrophobicContact CE2-CD1 3.73Å; Y235-L286 HydrophobicContact CE2-CD2 3.67Å; Y235-L286 HydrophobicContact CE2-CG 4.37Å; Y235-L286 HydrophobicContact CG-CD1 4.28Å; Y235-L286 WeakPolarHBondContact OH-CD2 3.38Å; L252-L286 HydrophobicContact CD1-CD1 3.89Å; L252-L286 HydrophobicContact CD2-CD1 3.91Å; D273-L286 CarbonylContact C-O 3.58Å; D273-L286 WeakPolarHBondContact CA-O 3.48Å; L274-L286 HydrophobicContact CD2-CB 4.24Å; L274-L286 HydrophobicContact CG-CB 4.12Å; L274-L286 PolarHBondContact N-O 3.03Å; L274-L286 PolarHBondContact O-N 2.93Å; L284-L286 HydrophobicContact CD1-CD1 4.17Å; L284-L286 HydrophobicContact CD1-CD2 3.95Å; L284-L286 HydrophobicContact CD1-CG 3.88Å; L284-L286 HydrophobicContact CD2-CD1 3.84Å; L284-L286 HydrophobicContact CD2-CG 4.3Å; L284-L286 HydrophobicContact CG-CD1 4.02Å; L284-L286 HydrophobicContact CG-CG 3.92Å
287N78.1Confident80.9Confident121 Ų12169.9 Ų69.965%0.64735%0.353SS*.EExtended strand (participates in β ladder)trans-78.4131.5164-58.2-57.8000108.7
288L82.8Confident81.1Confident16 Ų1669.9 Ų69.98%0.08436%0.359CS..  trans-80.2138.7178.9-67.9172.7000110.5T250 D272 L274 K290 I292 M312T250-L288 HydrophobicContact CG2-CD2 4.44Å; D272-L288 WeakPolarHBondContact O-CB 3.34Å; D272-L288 PolarHBondContact O-N 2.92Å; L274-L288 HydrophobicContact CD2-CD2 3.65Å; L274-L288 HydrophobicContact CD2-CG 4.24Å; L288-K290 PolarHBondContact O-N 3.2Å; L288-I292 HydrophobicContact CD1-CB 4.44Å; L288-I292 HydrophobicContact CD1-CD1 3.59Å; L288-I292 HydrophobicContact CD1-CG1 3.67Å; L288-I292 HydrophobicContact CD1-CG2 3.9Å; L288-M312 HydrophobicContact CD1-SD 4Å; L288-M312 HydrophobicContact CD2-CE 3.83Å; L288-M312 HydrophobicContact CD2-SD 3.85Å
289P77.3Confident81.5Confident75 Ų7572.5 Ų72.549%0.48738%0.381SS..SBendtrans-71.3-18.7-177.527.7-34.8000113.3L237 I239L237-P289 HydrophobicContact CD2-CG 4.31Å; I239-P289 HydrophobicContact CD1-CB 4.32Å; I239-P289 HydrophobicContact CD1-CG 3.91Å; I239-P289 HydrophobicContact CG1-CG 4.28Å
290K81.4Confident82.6Confident81 Ų8175.8 Ų75.835%0.35239%0.386SS..SBendtrans-146148.8-179.8-68.2-171.5179.3179.70109.5P247 L288 L314P247-K290 HydrophobicContact CB-CD 4.35Å; P247-K290 HydrophobicContact CG-CD 4.33Å; P247-K290 VanDerWaalsContact CG-NZ 3.26Å; L288-K290 PolarHBondContact O-N 3.2Å; K290-L314 HydrophobicContact CB-CD1 4.18Å; K290-L314 HydrophobicContact CB-CD2 3.72Å; K290-L314 HydrophobicContact CD-CD1 3.7Å
291P81.5Confident83.6Confident73 Ų7370.5 Ų70.547%0.47436%0.361SS..  trans-63.3140176.827.5-34.3000110.8E271 V315E271-P291 VanDerWaalsContact O-CA 3.23Å; E271-P291 WeakPolarHBondContact O-CA 3.33Å; P291-V315 PolarHBondContact O-N 2.95Å
292I88.8Confident84.1Confident1 Ų169.5 Ų69.51%0.00536%0.358CS..BIsolated β-bridgetrans-116.7155.3-17762155.3000112.1V269 S270 E271 L288 T294 M312 P313 L314 V315V269-I292 HydrophobicContact CG1-CD1 3.33Å; S270-I292 WeakPolarHBondContact O-CD1 3.33Å; S270-I292 WeakPolarHBondContact O-CG1 3.49Å; E271-I292 PolarHBondContact O-N 3.3Å; L288-I292 HydrophobicContact CD1-CB 4.44Å; L288-I292 HydrophobicContact CD1-CD1 3.59Å; L288-I292 HydrophobicContact CD1-CG1 3.67Å; L288-I292 HydrophobicContact CD1-CG2 3.9Å; I292-T294 PolarHBondContact O-N 2.93Å; I292-M312 HydrophobicContact CB-CB 4Å; I292-M312 HydrophobicContact CD1-CB 3.7Å; I292-M312 HydrophobicContact CD1-CG 3.66Å; I292-M312 HydrophobicContact CD1-SD 3.83Å; I292-M312 HydrophobicContact CG1-CB 4.47Å; I292-M312 HydrophobicContact CG2-CB 3.68Å; I292-P313 CarbonylContact C-O 3.56Å; I292-P313 WeakPolarHBondContact CA-O 3.29Å; I292-P313 VanDerWaalsContact CB-O 3.3Å; I292-P313 WeakPolarHBondContact CB-O 3.45Å; I292-L314 HydrophobicContact CG2-CD2 3.9Å; I292-V315 WeakPolarHBondContact O-CG2 3.45Å
293D87.6Confident84.1Confident55 Ų5574.9 Ų74.929%0.29438%0.382SS..  trans-80.4104.3169.7-174.3-25.1000108.6E295 M296 T297 P313 V315D293-E295 VanDerWaalsContact C-N 3.31Å; D293-E295 PolarHBondContact O-N 3.25Å; D293-E295 PolarHBondContact OD1-N 2.65Å; D293-M296 HydrophobicContact CB-CB 4.17Å; D293-M296 PolarHBondContact O-N 2.84Å; D293-M296 PolarHBondContact OD1-N 2.63Å; D293-M296 VanDerWaalsContact OD1-N 3.1Å; D293-M296 VanDerWaalsContact OD2-CG 3.29Å; D293-M296 WeakPolarHBondContact OD2-CG 3.33Å; D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 2.98Å; D293-P313 HydrophobicContact CB-CB 4.38Å; D293-P313 PolarHBondContact N-O 2.96Å; D293-V315 HydrophobicContact CB-CG2 4.12Å
294T83.9Confident84Confident61 Ų6176.1 Ų76.137%0.37439%0.393SS..SBendtrans-67.6-30.5-178.555.20000112.4S270 E271 I292 T297S270-T294 VanDerWaalsContact C-CG2 3.46Å; E271-T294 HydrophobicContact CG-CG2 4.36Å; I292-T294 PolarHBondContact O-N 2.93Å; T294-T297 PolarHBondContact O-N 3.43Å
295E85.1Confident84Confident181 Ų18181.8 Ų81.885%0.84642%0.424SS*.THydrogen-bonded Turntrans-72.2-34179.2-62.4-166.4165.400111.6D293D293-E295 VanDerWaalsContact C-N 3.31Å; D293-E295 PolarHBondContact O-N 3.25Å; D293-E295 PolarHBondContact OD1-N 2.65Å
296M86.1Confident83.9Confident126 Ų12678 Ų7862%0.62141%0.409SS*.THydrogen-bonded Turntrans-921.1179.3-65.3-70.5-138.800113.7D293 P313D293-M296 HydrophobicContact CB-CB 4.17Å; D293-M296 PolarHBondContact O-N 2.84Å; D293-M296 PolarHBondContact OD1-N 2.63Å; D293-M296 VanDerWaalsContact OD1-N 3.1Å; D293-M296 VanDerWaalsContact OD2-CG 3.29Å; D293-M296 WeakPolarHBondContact OD2-CG 3.33Å; M296-P313 HydrophobicContact CB-CB 4.37Å; M296-P313 HydrophobicContact CB-CG 3.77Å; M296-P313 WeakPolarHBondContact O-CD 3.47Å
297T87.4Confident84.3Confident27 Ų2777.4 Ų77.417%0.16641%0.406CS..  trans-72.4134.7178.3-70.10000111.3V269 D293 T294 I310 T311 M312V269-T297 HydrophobicContact CG1-CG2 4.26Å; V269-T297 HydrophobicContact CG2-CG2 4.4Å; D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 2.98Å; T294-T297 PolarHBondContact O-N 3.43Å; T297-I310 HydrophobicContact CG2-CG2 4.01Å; T297-T311 WeakPolarHBondContact CA-O 3.39Å; T297-M312 HydrophobicContact CG2-CB 4.46Å; T297-M312 HydrophobicContact CG2-CG 3.62Å
298T88.1Confident84.7Confident86 Ų8672.2 Ų72.253%0.52838%0.378SS..EExtended strand (participates in β ladder)trans-128.1146.4179.957.70000111.3I310 T311T298-I310 CarbonylContact O-C 3.56Å; T298-I310 WeakPolarHBondContact O-CA 3.49Å; T298-T311 PolarHBondContact N-O 2.97Å; T298-T311 PolarHBondContact O-N 3.46Å
299A89.2Confident85Confident55 Ų5573.2 Ų73.246%0.45538%0.383SS..EExtended strand (participates in β ladder)trans-128.5137.8176.300000110.8L267 L308 I309 I310L267-A299 HydrophobicContact CD2-CB 3.46Å; L267-A299 VanDerWaalsContact CD2-CB 3.46Å; A299-L308 HydrophobicContact CB-CD1 4.36Å; A299-I309 CarbonylContact C-O 3.55Å; A299-I309 WeakPolarHBondContact CA-O 3.33Å; A299-I310 HydrophobicContact CB-CG1 4.15Å
300K88.1Confident85.7Confident142 Ų14269.6 Ų69.662%0.61736%0.36SS*.EExtended strand (participates in β ladder)trans-135.7123.2-179.3-176179.4179.3-178.50110.2I309K300-I309 PolarHBondContact N-O 3Å; K300-I309 PolarHBondContact O-N 3.43Å
301F85.6Confident86.2Confident32 Ų3267.3 Ų67.314%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-96125.9173.1-173.2-107.9000111.1L256 I259 V262 K303 T307 L308L256-F301 HydrophobicContact CB-CE2 4.47Å; L256-F301 HydrophobicContact CD1-CE2 4.4Å; I259-F301 HydrophobicContact CB-CZ 4.2Å; I259-F301 HydrophobicContact CG2-CZ 4.06Å; V262-F301 HydrophobicContact CG1-CB 3.36Å; V262-F301 HydrophobicContact CG1-CD1 3.57Å; V262-F301 HydrophobicContact CG1-CG 3.65Å; F301-K303 HydrophobicContact CD1-CG 3.92Å; F301-K303 HydrophobicContact CE1-CG 3.89Å; F301-T307 WeakPolarHBondContact CA-O 3.4Å; F301-L308 HydrophobicContact CB-CD1 4.25Å; F301-L308 HydrophobicContact CD2-CB 4.16Å
302I84.6Confident86.7Confident50 Ų5063.8 Ų63.826%0.25633%0.33SS..EExtended strand (participates in β ladder)trans-100.8108.8177.3-58.4-179.4000107.5E304 S306 T307 I309I302-E304 HydrophobicContact CG2-CB 4.41Å; I302-E304 WeakPolarHBondContact CG2-OE2 3.36Å; I302-S306 VanDerWaalsContact O-CA 3.32Å; I302-S306 WeakPolarHBondContact O-CA 3.35Å; I302-S306 PolarHBondContact O-N 3.21Å; I302-T307 PolarHBondContact N-O 3.41Å; I302-T307 PolarHBondContact O-N 3.08Å; I302-I309 HydrophobicContact CD1-CD1 3.54Å; I302-I309 HydrophobicContact CD1-CG1 4.35Å; I302-I309 HydrophobicContact CG1-CD1 4.46Å
303K79.1Confident86.7Confident134 Ų13465.5 Ų65.558%0.58334%0.341SS*.THydrogen-bonded Turntrans-69.2-34.4-173.8-71.5-176.7177.7-177.80112.5F301 N305 S306F301-K303 HydrophobicContact CD1-CG 3.92Å; F301-K303 HydrophobicContact CE1-CG 3.89Å; K303-N305 VanDerWaalsContact C-N 3.26Å; K303-N305 PolarHBondContact O-N 3.44Å; K303-S306 PolarHBondContact O-N 3.18Å
304E81.6Confident86.7Confident156 Ų15664.3 Ų64.373%0.72933%0.334SS*.THydrogen-bonded Turntrans-57.3-40.6-175.9-63.676.1-167.600111.8I302I302-E304 HydrophobicContact CG2-CB 4.41Å; I302-E304 WeakPolarHBondContact CG2-OE2 3.36Å
305N83.1Confident86.6Confident124 Ų12468.7 Ų68.766%0.66336%0.36SS*.THydrogen-bonded Turntrans-117.515.7-178.3-60.2-6.1000112.2K303 T307K303-N305 VanDerWaalsContact C-N 3.26Å; K303-N305 PolarHBondContact O-N 3.44Å; N305-T307 PolarHBondContact O-N 2.9Å; N305-T307 VanDerWaalsContact O-N 3.12Å; N305-T307 PolarHBondContact O-OG1 2.89Å
306S83.8Confident86.6Confident24 Ų2463.1 Ų63.117%0.16834%0.336CS..THydrogen-bonded Turntrans41.248.4-175-54.80000113.8L256 I302 K303L256-S306 CarbonylContact C-O 3.53Å; L256-S306 WeakPolarHBondContact CA-O 3.35Å; L256-S306 PolarHBondContact N-O 2.89Å; L256-S306 VanDerWaalsContact O-CB 3.23Å; L256-S306 WeakPolarHBondContact O-CB 3.24Å; I302-S306 VanDerWaalsContact O-CA 3.32Å; I302-S306 WeakPolarHBondContact O-CA 3.35Å; I302-S306 PolarHBondContact O-N 3.21Å; K303-S306 PolarHBondContact O-N 3.18Å
307T87.1Confident86.7Confident6 Ų659.7 Ų59.74%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-114.1127.1-173.1-57.40000110.7K253 V254 F301 I302 N305 I309K253-T307 HydrophobicContact CD-CG2 4.16Å; K253-T307 HydrophobicContact CG-CG2 3.5Å; K253-T307 VanDerWaalsContact CG-CG2 3.5Å; V254-T307 CarbonylContact O-C 3.59Å; V254-T307 WeakPolarHBondContact O-CA 3.43Å; F301-T307 WeakPolarHBondContact CA-O 3.4Å; I302-T307 PolarHBondContact N-O 3.41Å; I302-T307 PolarHBondContact O-N 3.08Å; N305-T307 PolarHBondContact O-N 2.9Å; N305-T307 VanDerWaalsContact O-N 3.12Å; N305-T307 PolarHBondContact O-OG1 2.89Å; T307-I309 HydrophobicContact CG2-CG1 4.1Å
308L86.9Confident86.6Confident11 Ų1161.6 Ų61.66%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-93.6124.5169.4-17863.6000109.5V254 L256 I276 A299 F301 I310V254-L308 HydrophobicContact CB-CB 4.4Å; V254-L308 PolarHBondContact N-O 2.95Å; V254-L308 PolarHBondContact O-N 3.5Å; L256-L308 HydrophobicContact CD1-CB 3.98Å; L256-L308 HydrophobicContact CD1-CD2 4.38Å; I276-L308 HydrophobicContact CD1-CD2 4.07Å; I276-L308 HydrophobicContact CG1-CD2 4.35Å; I276-L308 HydrophobicContact CG2-CD2 4.48Å; A299-L308 HydrophobicContact CB-CD1 4.36Å; F301-L308 HydrophobicContact CB-CD1 4.25Å; F301-L308 HydrophobicContact CD2-CB 4.16Å; L308-I310 HydrophobicContact CD2-CD1 4.07Å; L308-I310 HydrophobicContact CD2-CG1 4.29Å; L308-I310 HydrophobicContact CG-CD1 4.36Å; L308-I310 HydrophobicContact CG-CG1 4.07Å
309I89.3Confident86.5Confident37 Ų3760.1 Ų60.119%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-112.6123.3175.3-57.2-179.2000108.1E251 L252 K253 A299 K300 I302 T307E251-I309 HydrophobicContact CG-CG2 4.15Å; L252-I309 CarbonylContact O-C 3.58Å; L252-I309 WeakPolarHBondContact O-CA 3.26Å; K253-I309 HydrophobicContact CG-CG1 4.5Å; A299-I309 CarbonylContact C-O 3.55Å; A299-I309 WeakPolarHBondContact CA-O 3.33Å; K300-I309 PolarHBondContact N-O 3Å; K300-I309 PolarHBondContact O-N 3.43Å; I302-I309 HydrophobicContact CD1-CD1 3.54Å; I302-I309 HydrophobicContact CD1-CG1 4.35Å; I302-I309 HydrophobicContact CG1-CD1 4.46Å; T307-I309 HydrophobicContact CG2-CG1 4.1Å
310I91.8Very high86.4Confident0 Ų060.4 Ų60.40%031%0.31CS..EExtended strand (participates in β ladder)trans-115.7122.5178.1-52.4164.2000107.5E251 L252 L267 I276 T297 T298 A299 L308 M312E251-I310 WeakPolarHBondContact CA-O 3.27Å; L252-I310 HydrophobicContact CB-CB 4.29Å; L252-I310 HydrophobicContact CD2-CD1 3.96Å; L252-I310 HydrophobicContact CG-CD1 4.49Å; L252-I310 PolarHBondContact N-O 2.89Å; L252-I310 PolarHBondContact O-N 3.47Å; L267-I310 HydrophobicContact CD1-CD1 3.6Å; L267-I310 HydrophobicContact CD2-CD1 3.95Å; L267-I310 HydrophobicContact CD2-CG1 4.05Å; L267-I310 HydrophobicContact CD2-CG2 4.45Å; L267-I310 HydrophobicContact CG-CD1 4.46Å; I276-I310 HydrophobicContact CD1-CD1 3.78Å; I276-I310 HydrophobicContact CG1-CD1 4.31Å; T297-I310 HydrophobicContact CG2-CG2 4.01Å; T298-I310 CarbonylContact O-C 3.56Å; T298-I310 WeakPolarHBondContact O-CA 3.49Å; A299-I310 HydrophobicContact CB-CG1 4.15Å; L308-I310 HydrophobicContact CD2-CD1 4.07Å; L308-I310 HydrophobicContact CD2-CG1 4.29Å; L308-I310 HydrophobicContact CG-CD1 4.36Å; L308-I310 HydrophobicContact CG-CG1 4.07Å; I310-M312 HydrophobicContact CG2-CE 4.39Å; I310-M312 HydrophobicContact CG2-CG 3.79Å; I310-M312 HydrophobicContact CG2-SD 4.02Å
311T91.5Very high86.3Confident32 Ų3255 Ų5520%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-110.2115.4178-57.90000108.6K249 T297 T298K249-T311 HydrophobicContact CD-CG2 3.88Å; T297-T311 WeakPolarHBondContact CA-O 3.39Å; T298-T311 PolarHBondContact N-O 2.97Å; T298-T311 PolarHBondContact O-N 3.46Å
312M92.8Very high86.3Confident0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-119.9100.9-173-62.5165-70.100109.3L237 K249 T250 L252 L274 L288 I292 T297 I310L237-M312 HydrophobicContact CD1-CE 4.31Å; K249-M312 CarbonylContact C-O 3.56Å; K249-M312 WeakPolarHBondContact CA-O 3.31Å; T250-M312 HydrophobicContact CG2-CE 3.81Å; T250-M312 PolarHBondContact N-O 3.42Å; T250-M312 PolarHBondContact O-N 3.48Å; L252-M312 HydrophobicContact CB-CE 3.81Å; L274-M312 HydrophobicContact CD2-CE 4.27Å; L274-M312 HydrophobicContact CD2-SD 4.05Å; L288-M312 HydrophobicContact CD1-SD 4Å; L288-M312 HydrophobicContact CD2-CE 3.83Å; L288-M312 HydrophobicContact CD2-SD 3.85Å; I292-M312 HydrophobicContact CB-CB 4Å; I292-M312 HydrophobicContact CD1-CB 3.7Å; I292-M312 HydrophobicContact CD1-CG 3.66Å; I292-M312 HydrophobicContact CD1-SD 3.83Å; I292-M312 HydrophobicContact CG1-CB 4.47Å; I292-M312 HydrophobicContact CG2-CB 3.68Å; T297-M312 HydrophobicContact CG2-CB 4.46Å; T297-M312 HydrophobicContact CG2-CG 3.62Å; I310-M312 HydrophobicContact CG2-CE 4.39Å; I310-M312 HydrophobicContact CG2-CG 3.79Å; I310-M312 HydrophobicContact CG2-SD 4.02Å
313P89Confident86.4Confident36 Ų3657.2 Ų57.223%0.23430%0.303CS..EExtended strand (participates in β ladder)trans-60.3145.1174.7-23.337.1000110.9I292 D293 M296I292-P313 CarbonylContact C-O 3.56Å; I292-P313 WeakPolarHBondContact CA-O 3.29Å; I292-P313 VanDerWaalsContact CB-O 3.3Å; I292-P313 WeakPolarHBondContact CB-O 3.45Å; D293-P313 HydrophobicContact CB-CB 4.38Å; D293-P313 PolarHBondContact N-O 2.96Å; M296-P313 HydrophobicContact CB-CB 4.37Å; M296-P313 HydrophobicContact CB-CG 3.77Å; M296-P313 WeakPolarHBondContact O-CD 3.47Å
314L87.6Confident87.1Confident31 Ų3150.8 Ų50.816%0.16228%0.28CS..BIsolated β-bridgetrans-83.2151.4176-59.8-174.3000111.2P247 L248 T250 K290 I292P247-L314 HydrophobicContact CB-CD1 3.62Å; P247-L314 HydrophobicContact CG-CD1 4.13Å; L248-L314 PolarHBondContact O-N 2.85Å; T250-L314 WeakPolarHBondContact OG1-CD2 3.44Å; K290-L314 HydrophobicContact CB-CD1 4.18Å; K290-L314 HydrophobicContact CB-CD2 3.72Å; K290-L314 HydrophobicContact CD-CD1 3.7Å; I292-L314 HydrophobicContact CG2-CD2 3.9Å
315V80.1Confident87.5Confident152 Ų15241.2 Ų41.292%0.92124%0.239SC*.  trans-87.20169.2-168.30000111.1P291 I292 D293P291-V315 PolarHBondContact O-N 2.95Å; I292-V315 WeakPolarHBondContact O-CG2 3.45Å; D293-V315 HydrophobicContact CB-CG2 4.12Å

Retrieved 315 of 315 residues in 55.1 ms (Link to these results)

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