A0A087XBL1_POEFO Loading...

Cartilage intermediate layer protein 2

AlphaFold DB , UniProt , Accession A0A087XBL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 976 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
1M71.1Confident77.3Confident133 Ų13338.7 Ų38.766%0.65521%0.212SC*.  0141.30-77.4-177.9-81.600108.6F3 G71 I72 S73M1-F3 HydrophobicContact CB-CE2 3.89Å; M1-G71 PolarHBondContact N-O 2.92Å; M1-I72 WeakPolarHBondContact O-CA 3.48Å; M1-S73 PolarHBondContact O-N 3.42Å
2L80.6Confident76.6Confident3 Ų336.7 Ų36.72%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-98.2135170.6-176.469.9000108.7F38 L40 I51 V65 L75L2-F38 HydrophobicContact CD2-CE2 4.38Å; L2-L40 HydrophobicContact CB-CB 3.98Å; L2-L40 HydrophobicContact CD2-CB 4.41Å; L2-L40 HydrophobicContact CD2-CD1 4.3Å; L2-L40 PolarHBondContact N-O 3.23Å; L2-L40 PolarHBondContact O-N 3.47Å; L2-I51 HydrophobicContact CD2-CD1 3.19Å; L2-V65 HydrophobicContact CD1-CG1 3.78Å; L2-V65 HydrophobicContact CD1-CG2 4.38Å; L2-V65 HydrophobicContact CD2-CG1 4.47Å; L2-V65 HydrophobicContact CD2-CG2 3.82Å; L2-L75 HydrophobicContact CD1-CB 4.23Å
3F85.4Confident76.4Confident62 Ų6238.3 Ų38.327%0.27222%0.215SC..EExtended strand (participates in β ladder)trans-115.7158168.2-64.4-100.2000108M1 T39 I72 S73 W74 L75M1-F3 HydrophobicContact CB-CE2 3.89Å; F3-T39 HydrophobicContact CD1-CG2 3.61Å; F3-T39 HydrophobicContact CE1-CG2 3.71Å; F3-I72 HydrophobicContact CD2-CG2 3.96Å; F3-I72 HydrophobicContact CE2-CG2 4.04Å; F3-S73 PolarHBondContact N-O 2.95Å; F3-W74 HydrophobicContact CB-CD2 4.14Å; F3-W74 HydrophobicContact CB-CE3 3.42Å; F3-W74 VanDerWaalsContact CB-CE3 3.42Å; F3-W74 HydrophobicContact CB-CH2 4.16Å; F3-W74 HydrophobicContact CB-CZ3 3.44Å; F3-W74 VanDerWaalsContact CB-CZ3 3.44Å; F3-W74 HydrophobicContact CD1-CZ3 4.37Å; F3-W74 HydrophobicContact CG-CE3 4.3Å; F3-W74 HydrophobicContact CG-CZ3 4.1Å; F3-W74 CarbonylContact O-C 3.53Å; F3-W74 WeakPolarHBondContact O-CA 3.21Å; F3-L75 PolarHBondContact O-N 3.15Å
4G86.2Confident76.4Confident1 Ų136.2 Ų36.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-169.9165.1171.300000114.2Q37 F38 L75G4-Q37 CarbonylContact O-C 3.48Å; G4-Q37 VanDerWaalsContact O-CA 3.31Å; G4-Q37 WeakPolarHBondContact O-CA 3.11Å; G4-F38 PolarHBondContact N-O 2.72Å; G4-F38 VanDerWaalsContact N-O 3.13Å; G4-F38 WeakPolarHBondContact O-CD1 3.08Å; G4-F38 PolarHBondContact O-N 2.76Å; G4-L75 CarbonylContact C-O 3.57Å; G4-L75 WeakPolarHBondContact CA-O 3.37Å
5D87.8Confident76.7Confident12 Ų1236.4 Ų36.46%0.06421%0.211CC..EExtended strand (participates in β ladder)trans-124.3135.8177.263.1-54.3000110.5G36 Q37 W74 L75 R76 A77D5-G36 WeakPolarHBondContact CA-O 3.44Å; D5-Q37 HydrophobicContact CB-CG 4.49Å; D5-W74 HydrophobicContact CB-CZ2 4.34Å; D5-W74 PolarHBondContact OD1-NE1 2.83Å; D5-L75 PolarHBondContact N-O 3.44Å; D5-R76 WeakPolarHBondContact O-CA 3.24Å; D5-R76 IonicContact OD1-NE 3.93Å; D5-R76 IonicContact OD2-CZ 2.66Å; D5-R76 IonicContact OD2-NE 3.46Å; D5-R76 PolarHBondContact OD2-NE 2.69Å; D5-R76 IonicContact OD2-NH2 2.74Å; D5-R76 PolarHBondContact OD2-NH2 3.22Å; D5-A77 PolarHBondContact O-N 3.16Å
6I86.8Confident77.1Confident0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-115.6120.1-179.5-46.9-171000108V14 A17 V19 T32 G36 F38 I53 A77 L79I6-V14 HydrophobicContact CG2-CB 4.21Å; I6-V14 PolarHBondContact O-N 2.64Å; I6-A17 HydrophobicContact CD1-CB 4.21Å; I6-V19 HydrophobicContact CD1-CG2 3.92Å; I6-T32 HydrophobicContact CB-CG2 4.1Å; I6-T32 HydrophobicContact CD1-CG2 3.4Å; I6-T32 HydrophobicContact CG1-CG2 3.65Å; I6-G36 PolarHBondContact N-O 2.82Å; I6-F38 HydrophobicContact CD1-CD1 3.85Å; I6-F38 HydrophobicContact CD1-CE1 3.91Å; I6-F38 HydrophobicContact CG1-CD1 3.77Å; I6-F38 HydrophobicContact CG1-CE1 3.71Å; I6-I53 HydrophobicContact CD1-CD1 4.01Å; I6-I53 HydrophobicContact CD1-CG1 4.23Å; I6-I53 HydrophobicContact CD1-CG2 3.71Å; I6-I53 HydrophobicContact CG2-CG2 4.35Å; I6-A77 WeakPolarHBondContact CA-O 3.26Å; I6-A77 HydrophobicContact CG1-CB 4.34Å; I6-A77 HydrophobicContact CG2-CB 4.34Å; I6-L79 HydrophobicContact CG2-CD1 3.63Å; I6-L79 HydrophobicContact CG2-CG 3.74Å
7Q83.2Confident77.6Confident37 Ų3734.2 Ų34.217%0.17321%0.208CC..EExtended strand (participates in β ladder)trans-126.2161.2-176.7-62.3-176.2-62.200110.9G11 V12 A77 V78 L79Q7-G11 PolarHBondContact NE2-O 3.21Å; Q7-V12 CarbonylContact C-O 3.58Å; Q7-V12 VanDerWaalsContact CA-O 3.23Å; Q7-V12 WeakPolarHBondContact CA-O 3.49Å; Q7-A77 PolarHBondContact N-O 3.36Å; Q7-V78 CarbonylContact O-C 3.52Å; Q7-V78 VanDerWaalsContact O-CA 3.32Å; Q7-V78 WeakPolarHBondContact O-CA 3.43Å; Q7-L79 PolarHBondContact O-N 2.85Å
8T74Confident78.2Confident9 Ų933.5 Ų33.56%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-73.9173.5164.865.20000110.5T10 G11 V12 V14 F58 L79T8-T10 PolarHBondContact O-N 3.2Å; T8-T10 PolarHBondContact OG1-N 3.48Å; T8-T10 PolarHBondContact OG1-OG1 3.41Å; T8-G11 PolarHBondContact O-N 3.47Å; T8-G11 PolarHBondContact OG1-N 3.03Å; T8-V12 HydrophobicContact CG2-CB 3.97Å; T8-V12 PolarHBondContact N-O 3.26Å; T8-V12 WeakPolarHBondContact OG1-CB 3.45Å; T8-V12 PolarHBondContact OG1-N 2.99Å; T8-V14 HydrophobicContact CG2-CG2 3.78Å; T8-F58 HydrophobicContact CG2-CE1 3.97Å; T8-F58 HydrophobicContact CG2-CZ 4.04Å; T8-L79 WeakPolarHBondContact CA-O 3.48Å
9V71Confident78.7Confident106 Ų10631.7 Ų31.764%0.64219%0.194SC*.THydrogen-bonded Turntrans-57.6-28.7168.3-173.90000112.1G11 V78 T80V9-G11 VanDerWaalsContact C-N 3.32Å; V9-V78 HydrophobicContact CB-CG1 4.5Å; V9-V78 HydrophobicContact CG2-CG1 4.03Å; V9-T80 HydrophobicContact CG2-CG2 3.71Å
10T60.5Low79Confident50 Ų5030.4 Ų30.431%0.30719%0.186SC..THydrogen-bonded Turntrans-89.214.2176.352.50000113.8T8 V12T8-T10 PolarHBondContact O-N 3.2Å; T8-T10 PolarHBondContact OG1-N 3.48Å; T8-T10 PolarHBondContact OG1-OG1 3.41Å; T10-V12 PolarHBondContact O-N 3.3Å
11G64.2Low79.2Confident13 Ų1330.9 Ų30.913%0.13419%0.188CC..SBendtrans76.1-3.8177.400000115.8Q7 T8 V9Q7-G11 PolarHBondContact NE2-O 3.21Å; T8-G11 PolarHBondContact O-N 3.47Å; T8-G11 PolarHBondContact OG1-N 3.03Å; V9-G11 VanDerWaalsContact C-N 3.32Å
12V68.5Low79.6Confident14 Ų1427.6 Ų27.69%0.08518%0.175CC..  trans-65.9129.3-179.1-175.70000110.1Q7 T8 T10 V14 H385Q7-V12 CarbonylContact C-O 3.58Å; Q7-V12 VanDerWaalsContact CA-O 3.23Å; Q7-V12 WeakPolarHBondContact CA-O 3.49Å; T8-V12 HydrophobicContact CG2-CB 3.97Å; T8-V12 PolarHBondContact N-O 3.26Å; T8-V12 WeakPolarHBondContact OG1-CB 3.45Å; T8-V12 PolarHBondContact OG1-N 2.99Å; T10-V12 PolarHBondContact O-N 3.3Å; V12-V14 PolarHBondContact O-N 2.7Å; V12-H385 VanDerWaalsContact CG2-NE2 3.31Å; V12-H385 WeakPolarHBondContact CG2-NE2 3.39Å
13P74.1Confident79.4Confident58 Ų5831.4 Ų31.438%0.37720%0.202SC..BIsolated β-bridgetrans-69.7129.5-178.8-16.629.7000113.1A15 K35P13-A15 PolarHBondContact O-N 2.82Å; P13-K35 WeakPolarHBondContact CB-O 3.44Å
14V76.9Confident79Confident9 Ų933.5 Ų33.56%0.05521%0.212CC..  trans-93.3102-176.1-173.30000110.9I6 T8 V12 A17 T32 K55 F58 L79I6-V14 HydrophobicContact CG2-CB 4.21Å; I6-V14 PolarHBondContact O-N 2.64Å; T8-V14 HydrophobicContact CG2-CG2 3.78Å; V12-V14 PolarHBondContact O-N 2.7Å; V14-A17 HydrophobicContact CG1-CB 4.28Å; V14-T32 WeakPolarHBondContact O-CB 3.34Å; V14-T32 PolarHBondContact O-OG1 2.96Å; V14-K55 HydrophobicContact CG1-CD 4.32Å; V14-K55 HydrophobicContact CG1-CG 4.01Å; V14-F58 HydrophobicContact CG1-CE2 4.09Å; V14-F58 HydrophobicContact CG1-CZ 4.31Å; V14-F58 HydrophobicContact CG2-CE1 4.41Å; V14-F58 HydrophobicContact CG2-CZ 4.15Å; V14-L79 HydrophobicContact CB-CD1 4.41Å; V14-L79 HydrophobicContact CG1-CD1 4.09Å; V14-L79 HydrophobicContact CG2-CD1 4.42Å
15A80.1Confident78.1Confident39 Ų3937.3 Ų37.332%0.32224%0.237SC..THydrogen-bonded Turntrans-79.2146.9179.400000113.7P13 A17 D33 K55P13-A15 PolarHBondContact O-N 2.82Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.19Å; A15-D33 VanDerWaalsContact CA-O 3.31Å; A15-D33 WeakPolarHBondContact CA-O 3.38Å; A15-D33 WeakPolarHBondContact CB-O 3.34Å; A15-K55 PolarHBondContact O-NZ 2.88Å
16G82.7Confident77.4Confident35 Ų3546.5 Ų46.536%0.36128%0.276SS..THydrogen-bonded Turntrans60.433.3177.700000114.3T32 K55G16-T32 PolarHBondContact N-O 2.88Å; G16-T32 PolarHBondContact N-OG1 2.93Å; G16-K55 WeakPolarHBondContact O-CD 3.1Å; G16-K55 PolarHBondContact O-NZ 2.68Å
17A86Confident77.1Confident0 Ų049.5 Ų49.50%029%0.294CS..  trans-82.1134.2168.400000109.5I6 V14 A15 L31 T32 I53 K55I6-A17 HydrophobicContact CD1-CB 4.21Å; V14-A17 HydrophobicContact CG1-CB 4.28Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.19Å; A17-L31 WeakPolarHBondContact O-CA 3.32Å; A17-T32 HydrophobicContact CB-CG2 4.37Å; A17-T32 PolarHBondContact N-OG1 3.49Å; A17-T32 PolarHBondContact O-N 2.86Å; A17-T32 VanDerWaalsContact O-N 3.14Å; A17-I53 HydrophobicContact CB-CG2 4.42Å; A17-K55 HydrophobicContact CB-CB 4.05Å; A17-K55 HydrophobicContact CB-CD 4.23Å; A17-K55 HydrophobicContact CB-CG 4.48Å
18S88.2Confident76.9Confident22 Ų2252.6 Ų52.615%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-83.2132.6-179.867.10000111.4I53 N54S18-I53 WeakPolarHBondContact O-CA 3.25Å; S18-N54 PolarHBondContact N-O 2.84Å; S18-N54 PolarHBondContact O-N 3.3Å; S18-N54 PolarHBondContact OG-O 2.99Å
19V87.5Confident77.3Confident0 Ų059.1 Ų59.10%034%0.335CS..EExtended strand (participates in β ladder)trans-120.8123.5-176.8-170.30000109.5I6 R29 T30 F38 L40 I51 I53I6-V19 HydrophobicContact CD1-CG2 3.92Å; V19-R29 PolarHBondContact O-N 2.9Å; V19-T30 HydrophobicContact CB-CG2 3.76Å; V19-T30 HydrophobicContact CG1-CG2 4.34Å; V19-T30 HydrophobicContact CG2-CG2 4.15Å; V19-T30 PolarHBondContact N-O 2.76Å; V19-T30 PolarHBondContact O-N 3.47Å; V19-F38 HydrophobicContact CG1-CD2 4.31Å; V19-F38 HydrophobicContact CG1-CE2 4.2Å; V19-F38 HydrophobicContact CG2-CD1 4.37Å; V19-F38 HydrophobicContact CG2-CD2 4.47Å; V19-F38 HydrophobicContact CG2-CG 4.2Å; V19-L40 HydrophobicContact CG1-CD1 3.8Å; V19-I51 HydrophobicContact CG1-CG2 3.4Å; V19-I51 VanDerWaalsContact CG1-CG2 3.4Å; V19-I53 HydrophobicContact CG1-CG1 4.45Å
20A85.9Confident78Confident5 Ų555.6 Ų55.64%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-137.9161.7-176.800000111.6V27 I51 A52A20-V27 WeakPolarHBondContact CB-O 3.32Å; A20-I51 CarbonylContact O-C 3.55Å; A20-I51 WeakPolarHBondContact O-CA 3.46Å; A20-I51 WeakPolarHBondContact O-CG2 3.25Å; A20-A52 PolarHBondContact N-O 2.78Å; A20-A52 PolarHBondContact O-N 2.87Å
21L83Confident79.2Confident41 Ų4158.2 Ų58.222%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-79.9140170.8-65.5173.1000109.4S23 H24 T49 I51L21-S23 PolarHBondContact O-N 2.59Å; L21-S23 VanDerWaalsContact O-N 3.1Å; L21-H24 CarbonylContact O-C 3.57Å; L21-H24 PolarHBondContact O-N 3.12Å; L21-T49 HydrophobicContact CD2-CG2 3.74Å; L21-I51 HydrophobicContact CD2-CG1 4.26Å
22T79.8Confident80.3Confident63 Ų6358 Ų5839%0.38732%0.321SS..THydrogen-bonded Turntrans-61.8-20.6179.353.50000113.9H24 S50 A52 V62T22-H24 VanDerWaalsContact C-N 3.3Å; T22-S50 PolarHBondContact N-O 2.9Å; T22-S50 VanDerWaalsContact N-O 3.07Å; T22-S50 PolarHBondContact OG1-O 2.71Å; T22-S50 VanDerWaalsContact OG1-O 3.13Å; T22-A52 HydrophobicContact CG2-CB 4.18Å; T22-V62 HydrophobicContact CG2-CG1 3.67Å; T22-V62 HydrophobicContact CG2-CG2 4.39Å
23S76.2Confident80.9Confident83 Ų8360.8 Ų60.858%0.5834%0.335SS*.THydrogen-bonded Turntrans-71.7-22.8172.5610000113.6L21L21-S23 PolarHBondContact O-N 2.59Å; L21-S23 VanDerWaalsContact O-N 3.1Å
24H77.1Confident80.8Confident106 Ų10664.1 Ų64.149%0.49136%0.355SS..SBendtrans-142.160.7-177.4-65.879.4000110.5L21 T22 K26 V27L21-H24 CarbonylContact O-C 3.57Å; L21-H24 PolarHBondContact O-N 3.12Å; T22-H24 VanDerWaalsContact C-N 3.3Å; H24-K26 PolarHBondContact O-N 2.88Å; H24-K26 VanDerWaalsContact O-N 3.09Å; H24-V27 HydrophobicContact CB-CB 4.27Å; H24-V27 HydrophobicContact CB-CG2 4.17Å; H24-V27 PolarHBondContact O-N 3.48Å
25P67.1Low80.6Confident82 Ų8270.5 Ų70.553%0.53238%0.381SS..THydrogen-bonded Turntrans-67.4-17-16828-35.7000113.7V27P25-V27 VanDerWaalsContact C-N 3.33Å
26K72.1Confident80.5Confident204 Ų20468.6 Ų68.689%0.88737%0.366SS*.THydrogen-bonded Turntrans-81.8-6.5173.4-63.6-172.1176.6-1740113.9H24H24-K26 PolarHBondContact O-N 2.88Å; H24-K26 VanDerWaalsContact O-N 3.09Å
27V80.8Confident80.7Confident63 Ų6371.3 Ų71.338%0.38237%0.369SS..SBendtrans-10691.7-179.6-175.40000108.8A20 H24 P25 R29A20-V27 WeakPolarHBondContact CB-O 3.32Å; H24-V27 HydrophobicContact CB-CB 4.27Å; H24-V27 HydrophobicContact CB-CG2 4.17Å; H24-V27 PolarHBondContact O-N 3.48Å; P25-V27 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 2.94Å
28I80.2Confident80.9Confident102 Ų10271.6 Ų71.652%0.52337%0.371SS..  trans-57.6127.4172.4-55.4176.6000108.2T30I28-T30 WeakPolarHBondContact CG2-O 3.49Å
29R80.9Confident80.7Confident147 Ų14774.7 Ų74.756%0.55539%0.388SS*.  trans-104.4-29.3179.9-65.9-59-172.7162.2-0.4113.1V19 V27 L40V19-R29 PolarHBondContact O-N 2.9Å; V27-R29 PolarHBondContact O-N 2.94Å; R29-L40 HydrophobicContact CB-CD2 3.75Å; R29-L40 HydrophobicContact CG-CD2 4.45Å
30T85.3Confident80.5Confident32 Ų3275.2 Ų75.220%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-159.6167175.3-167.70000110.2V19 I28 F38 T39 L40V19-T30 HydrophobicContact CB-CG2 3.76Å; V19-T30 HydrophobicContact CG1-CG2 4.34Å; V19-T30 HydrophobicContact CG2-CG2 4.15Å; V19-T30 PolarHBondContact N-O 2.76Å; V19-T30 PolarHBondContact O-N 3.47Å; I28-T30 WeakPolarHBondContact CG2-O 3.49Å; T30-F38 HydrophobicContact CG2-CB 3.89Å; T30-F38 HydrophobicContact CG2-CD2 4Å; T30-F38 HydrophobicContact CG2-CG 4.3Å; T30-T39 WeakPolarHBondContact CG2-O 3.46Å; T30-L40 HydrophobicContact CG2-CG 4.06Å
31L87.1Confident80Confident104 Ų10479.6 Ų79.655%0.54542%0.422SS..EExtended strand (participates in β ladder)trans-122.7148173.5-70.7166.9000108.4A17A17-L31 WeakPolarHBondContact O-CA 3.32Å
32T86.1Confident79.3Confident8 Ų881.1 Ų81.15%0.04945%0.447CS..  trans-73.3145.5172.5480000113I6 V14 G16 A17 G36 Q37 F38I6-T32 HydrophobicContact CB-CG2 4.1Å; I6-T32 HydrophobicContact CD1-CG2 3.4Å; I6-T32 HydrophobicContact CG1-CG2 3.65Å; V14-T32 WeakPolarHBondContact O-CB 3.34Å; V14-T32 PolarHBondContact O-OG1 2.96Å; G16-T32 PolarHBondContact N-O 2.88Å; G16-T32 PolarHBondContact N-OG1 2.93Å; A17-T32 HydrophobicContact CB-CG2 4.37Å; A17-T32 PolarHBondContact N-OG1 3.49Å; A17-T32 PolarHBondContact O-N 2.86Å; A17-T32 VanDerWaalsContact O-N 3.14Å; T32-G36 VanDerWaalsContact CG2-O 3.22Å; T32-G36 WeakPolarHBondContact CG2-O 3.46Å; T32-Q37 VanDerWaalsContact CA-O 3.31Å; T32-Q37 WeakPolarHBondContact CA-O 3.37Å; T32-F38 HydrophobicContact CG2-CB 4.07Å; T32-F38 HydrophobicContact CG2-CD1 4Å; T32-F38 HydrophobicContact CG2-CG 4.48Å
33D81.1Confident78.7Confident73 Ų7380.4 Ų80.439%0.3944%0.442SS..  trans-77.6-176.4172.576.60.3000112.9A15 K35 G36 Q37A15-D33 VanDerWaalsContact CA-O 3.31Å; A15-D33 WeakPolarHBondContact CA-O 3.38Å; A15-D33 WeakPolarHBondContact CB-O 3.34Å; D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 VanDerWaalsContact O-N 3.13Å; D33-K35 VanDerWaalsContact OD1-C 3.27Å; D33-K35 VanDerWaalsContact OD1-CA 3.28Å; D33-K35 WeakPolarHBondContact OD1-CA 3.46Å; D33-K35 WeakPolarHBondContact OD1-CB 3.28Å; D33-K35 PolarHBondContact OD1-N 3.02Å; D33-G36 PolarHBondContact O-N 2.79Å; D33-G36 PolarHBondContact OD1-N 2.99Å; D33-G36 VanDerWaalsContact OD1-N 3.15Å; D33-Q37 PolarHBondContact N-O 3.2Å; D33-Q37 PolarHBondContact OD1-N 3.35Å
34V71.9Confident77.9Confident129 Ų12980.7 Ų80.778%0.78244%0.443SS*.THydrogen-bonded Turntrans-65.5-8.9177.9-61.40000114.5
35K74Confident76.7Confident142 Ų14279.7 Ų79.762%0.61745%0.449SS*.THydrogen-bonded Turntrans-106.115173-60.4-172.1178.3-173.70111.7P13 D33 Q37P13-K35 WeakPolarHBondContact CB-O 3.44Å; D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 VanDerWaalsContact O-N 3.13Å; D33-K35 VanDerWaalsContact OD1-C 3.27Å; D33-K35 VanDerWaalsContact OD1-CA 3.28Å; D33-K35 WeakPolarHBondContact OD1-CA 3.46Å; D33-K35 WeakPolarHBondContact OD1-CB 3.28Å; D33-K35 PolarHBondContact OD1-N 3.02Å; K35-Q37 HydrophobicContact CB-CG 4.17Å; K35-Q37 WeakPolarHBondContact O-CG 3.34Å; K35-Q37 PolarHBondContact O-N 3.2Å
36G78.1Confident76.1Confident0 Ų081.4 Ų81.40%046%0.462CS..SBendtrans6810.1-178.600000113.9D5 I6 T32 D33D5-G36 WeakPolarHBondContact CA-O 3.44Å; I6-G36 PolarHBondContact N-O 2.82Å; T32-G36 VanDerWaalsContact CG2-O 3.22Å; T32-G36 WeakPolarHBondContact CG2-O 3.46Å; D33-G36 PolarHBondContact O-N 2.79Å; D33-G36 PolarHBondContact OD1-N 2.99Å; D33-G36 VanDerWaalsContact OD1-N 3.15Å
37Q87Confident75.4Confident91 Ų9174 Ų7443%0.42544%0.443SS..EExtended strand (participates in β ladder)trans-91.5145.8-173.2-59-170.72.700111.6G4 D5 T32 D33 K35G4-Q37 CarbonylContact O-C 3.48Å; G4-Q37 VanDerWaalsContact O-CA 3.31Å; G4-Q37 WeakPolarHBondContact O-CA 3.11Å; D5-Q37 HydrophobicContact CB-CG 4.49Å; T32-Q37 VanDerWaalsContact CA-O 3.31Å; T32-Q37 WeakPolarHBondContact CA-O 3.37Å; D33-Q37 PolarHBondContact N-O 3.2Å; D33-Q37 PolarHBondContact OD1-N 3.35Å; K35-Q37 HydrophobicContact CB-CG 4.17Å; K35-Q37 WeakPolarHBondContact O-CG 3.34Å; K35-Q37 PolarHBondContact O-N 3.2Å
38F88.7Confident74.6Confident7 Ų776.1 Ų76.13%0.03146%0.461CS..EExtended strand (participates in β ladder)trans-139.1159.8174.569.8-87.3000112L2 G4 I6 V19 T30 T32 L40 L75L2-F38 HydrophobicContact CD2-CE2 4.38Å; G4-F38 PolarHBondContact N-O 2.72Å; G4-F38 VanDerWaalsContact N-O 3.13Å; G4-F38 WeakPolarHBondContact O-CD1 3.08Å; G4-F38 PolarHBondContact O-N 2.76Å; I6-F38 HydrophobicContact CD1-CD1 3.85Å; I6-F38 HydrophobicContact CD1-CE1 3.91Å; I6-F38 HydrophobicContact CG1-CD1 3.77Å; I6-F38 HydrophobicContact CG1-CE1 3.71Å; V19-F38 HydrophobicContact CG1-CD2 4.31Å; V19-F38 HydrophobicContact CG1-CE2 4.2Å; V19-F38 HydrophobicContact CG2-CD1 4.37Å; V19-F38 HydrophobicContact CG2-CD2 4.47Å; V19-F38 HydrophobicContact CG2-CG 4.2Å; T30-F38 HydrophobicContact CG2-CB 3.89Å; T30-F38 HydrophobicContact CG2-CD2 4Å; T30-F38 HydrophobicContact CG2-CG 4.3Å; T32-F38 HydrophobicContact CG2-CB 4.07Å; T32-F38 HydrophobicContact CG2-CD1 4Å; T32-F38 HydrophobicContact CG2-CG 4.48Å; F38-L40 HydrophobicContact CD2-CD1 4.31Å; F38-L40 HydrophobicContact CE2-CD1 4.06Å; F38-L75 HydrophobicContact CZ-CD2 4.22Å
39T85.6Confident74.3Confident86 Ų8673 Ų7353%0.52845%0.447SS..EExtended strand (participates in β ladder)trans-128.2143.117363.90000111F3 T30F3-T39 HydrophobicContact CD1-CG2 3.61Å; F3-T39 HydrophobicContact CE1-CG2 3.71Å; T30-T39 WeakPolarHBondContact CG2-O 3.46Å
40L82.4Confident74.5Confident12 Ų1267.6 Ų67.66%0.06343%0.432CS..EExtended strand (participates in β ladder)trans-136.2115.8-176.4-105.8170.3000111L2 V19 R29 T30 F38 V43 I51L2-L40 HydrophobicContact CB-CB 3.98Å; L2-L40 HydrophobicContact CD2-CB 4.41Å; L2-L40 HydrophobicContact CD2-CD1 4.3Å; L2-L40 PolarHBondContact N-O 3.23Å; L2-L40 PolarHBondContact O-N 3.47Å; V19-L40 HydrophobicContact CG1-CD1 3.8Å; R29-L40 HydrophobicContact CB-CD2 3.75Å; R29-L40 HydrophobicContact CG-CD2 4.45Å; T30-L40 HydrophobicContact CG2-CG 4.06Å; F38-L40 HydrophobicContact CD2-CD1 4.31Å; F38-L40 HydrophobicContact CE2-CD1 4.06Å; L40-V43 HydrophobicContact CB-CG2 4.49Å; L40-I51 HydrophobicContact CD1-CD1 3.82Å
41S75.1Confident74.5Confident97 Ų9766.1 Ų66.168%0.67842%0.423SS*.  trans-98.1156.7176.651.30000111.6V43S41-V43 PolarHBondContact O-N 3.06Å
42G69.1Low74.5Confident72 Ų7262.1 Ų62.174%0.74240%0.404SS*.  trans81.2-2.917600000117.5C44G42-C44 PolarHBondContact O-N 3.01Å; G42-C44 PolarHBondContact O-SG 3.31Å; G42-C44 VanDerWaalsContact O-SG 3.4Å
43V67.4Low74.7Confident48 Ų4861.8 Ų61.829%0.29140%0.402SS..  trans-66.9122.1174.6-177.10000110.2L40 S41 T49L40-V43 HydrophobicContact CB-CG2 4.49Å; S41-V43 PolarHBondContact O-N 3.06Å; V43-T49 HydrophobicContact CG1-CG2 4.1Å
44C58Low74.9Confident89 Ų8962.2 Ų62.260%0.60141%0.405SS*.  trans-102.9142.9-174.6-67.20000112.3G42 S46G42-C44 PolarHBondContact O-N 3.01Å; G42-C44 PolarHBondContact O-SG 3.31Å; G42-C44 VanDerWaalsContact O-SG 3.4Å; C44-S46 VanDerWaalsContact C-N 3.27Å; C44-S46 PolarHBondContact O-N 3.39Å; C44-S46 VanDerWaalsContact O-N 3.12Å
45S53.1Low75.6Confident86 Ų8658.9 Ų58.960%0.60138%0.38SS*.SBendtrans-81.215.8-166.3-166.30000116
46S53.3Low75.8Confident118 Ų11860.1 Ų60.183%0.82539%0.388SS*.SBendtrans-91.910.5-169.852.50000115.4C44C44-S46 VanDerWaalsContact C-N 3.27Å; C44-S46 PolarHBondContact O-N 3.39Å; C44-S46 VanDerWaalsContact O-N 3.12Å
47G57.5Low75.7Confident47 Ų4764.8 Ų64.849%0.48541%0.408SS..SBendtrans-179.1165.217500000113T49G47-T49 PolarHBondContact O-N 2.86Å; G47-T49 PolarHBondContact O-OG1 3.15Å
48S64.4Low75.5Confident108 Ų10861.1 Ų61.176%0.75539%0.391SS*.  trans-62.994.9175.854.20000110.4S50S48-S50 PolarHBondContact O-N 2.9Å
49T75.4Confident75.3Confident38 Ų3862.2 Ų62.223%0.23340%0.398CS..EExtended strand (participates in β ladder)trans-89.8109.9-173-60.60000109.4L21 V43 G47 V65L21-T49 HydrophobicContact CD2-CG2 3.74Å; V43-T49 HydrophobicContact CG1-CG2 4.1Å; G47-T49 PolarHBondContact O-N 2.86Å; G47-T49 PolarHBondContact O-OG1 3.15Å; T49-V65 WeakPolarHBondContact O-CB 3.32Å; T49-V65 WeakPolarHBondContact O-CG2 3.48Å; T49-V65 PolarHBondContact O-N 3.13Å
50S83.1Confident75.3Confident33 Ų3361.2 Ų61.223%0.23139%0.393CS..EExtended strand (participates in β ladder)trans-88.8141.7176.9-59.50000112.1T22 S48 V63T22-S50 PolarHBondContact N-O 2.9Å; T22-S50 VanDerWaalsContact N-O 3.07Å; T22-S50 PolarHBondContact OG1-O 2.71Å; T22-S50 VanDerWaalsContact OG1-O 3.13Å; S48-S50 PolarHBondContact O-N 2.9Å; S50-V63 WeakPolarHBondContact CA-O 3.26Å
51I86.3Confident75.6Confident0 Ų061.6 Ų61.60%040%0.398CS..EExtended strand (participates in β ladder)trans-112.7132.5179.5-69.6178.2000108.3L2 V19 A20 L21 L40 I53 V62 V63 V65 L75L2-I51 HydrophobicContact CD2-CD1 3.19Å; V19-I51 HydrophobicContact CG1-CG2 3.4Å; V19-I51 VanDerWaalsContact CG1-CG2 3.4Å; A20-I51 CarbonylContact O-C 3.55Å; A20-I51 WeakPolarHBondContact O-CA 3.46Å; A20-I51 WeakPolarHBondContact O-CG2 3.25Å; L21-I51 HydrophobicContact CD2-CG1 4.26Å; L40-I51 HydrophobicContact CD1-CD1 3.82Å; I51-I53 HydrophobicContact CG2-CG1 4.06Å; I51-V62 VanDerWaalsContact O-CA 3.3Å; I51-V62 WeakPolarHBondContact O-CA 3.25Å; I51-V63 PolarHBondContact N-O 2.72Å; I51-V63 PolarHBondContact O-N 3.07Å; I51-V65 HydrophobicContact CD1-CG2 3.61Å; I51-V65 HydrophobicContact CG1-CG2 4.08Å; I51-L75 HydrophobicContact CD1-CD2 4.28Å
52A87.8Confident76.1Confident20 Ų2061.5 Ų61.517%0.16539%0.393CS..EExtended strand (participates in β ladder)trans-92.9128.316900000108.9A20 T22A20-A52 PolarHBondContact N-O 2.78Å; A20-A52 PolarHBondContact O-N 2.87Å; T22-A52 HydrophobicContact CG2-CB 4.18Å
53I88.8Confident76.9Confident1 Ų159.8 Ų59.81%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-115.6124.7176-62.7165.7000106.8I6 A17 S18 V19 I51 P60 A61 V63 A77 L79I6-I53 HydrophobicContact CD1-CD1 4.01Å; I6-I53 HydrophobicContact CD1-CG1 4.23Å; I6-I53 HydrophobicContact CD1-CG2 3.71Å; I6-I53 HydrophobicContact CG2-CG2 4.35Å; A17-I53 HydrophobicContact CB-CG2 4.42Å; S18-I53 WeakPolarHBondContact O-CA 3.25Å; V19-I53 HydrophobicContact CG1-CG1 4.45Å; I51-I53 HydrophobicContact CG2-CG1 4.06Å; I53-P60 CarbonylContact O-C 3.48Å; I53-P60 WeakPolarHBondContact O-CA 3.5Å; I53-A61 HydrophobicContact CB-CB 4.44Å; I53-A61 PolarHBondContact N-O 3.32Å; I53-A61 PolarHBondContact O-N 2.76Å; I53-V63 HydrophobicContact CD1-CG2 4.12Å; I53-A77 HydrophobicContact CD1-CB 3.32Å; I53-L79 HydrophobicContact CG2-CD1 4.08Å; I53-L79 HydrophobicContact CG2-CD2 3.93Å; I53-L79 HydrophobicContact CG2-CG 4.44Å
54N87.1Confident77.6Confident82 Ų8261.3 Ų61.344%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-133.6131.5-178.5-174.351.9000111.4S18S18-N54 PolarHBondContact N-O 2.84Å; S18-N54 PolarHBondContact O-N 3.3Å; S18-N54 PolarHBondContact OG-O 2.99Å
55K85.4Confident78.4Confident60 Ų6057.7 Ų57.726%0.26136%0.356SS..  trans-145.8136.9178.4178.174-169.2-171.50107.7V14 A15 G16 A17 F58 L79V14-K55 HydrophobicContact CG1-CD 4.32Å; V14-K55 HydrophobicContact CG1-CG 4.01Å; A15-K55 PolarHBondContact O-NZ 2.88Å; G16-K55 WeakPolarHBondContact O-CD 3.1Å; G16-K55 PolarHBondContact O-NZ 2.68Å; A17-K55 HydrophobicContact CB-CB 4.05Å; A17-K55 HydrophobicContact CB-CD 4.23Å; A17-K55 HydrophobicContact CB-CG 4.48Å; K55-F58 HydrophobicContact CB-CB 4.27Å; K55-F58 HydrophobicContact CB-CD2 4.06Å; K55-F58 HydrophobicContact CG-CD2 3.53Å; K55-F58 HydrophobicContact CG-CE2 4.06Å; K55-F58 HydrophobicContact CG-CG 4.42Å; K55-F58 PolarHBondContact O-N 2.87Å; K55-L79 HydrophobicContact CB-CD1 4.2Å
56E78.9Confident79Confident167 Ų16758.6 Ų58.678%0.7836%0.362SS*.THydrogen-bonded Turntrans-58143.2175.9-66.3168.1167.500111.1F58E56-F58 WeakPolarHBondContact O-CD2 3.32Å; E56-F58 PolarHBondContact O-N 3.31Å
57K76.3Confident79.4Confident99 Ų9955.4 Ų55.443%0.4334%0.34SS..THydrogen-bonded Turntrans62.511.8-174.1-47.2-171.3-176.9-170.60115.3A82 E486 E487K57-A82 PolarHBondContact O-N 2.9Å; K57-E486 PolarHBondContact NZ-O 3.45Å; K57-E487 VanDerWaalsContact NZ-C 3.29Å; K57-E487 PolarHBondContact NZ-O 2.69Å
58F81.9Confident79.5Confident13 Ų1359.2 Ų59.26%0.05735%0.349CS..BIsolated β-bridgetrans-122.3154.5170.7-71.8-90.6000111.9T8 V14 K55 E56 L79 T80T8-F58 HydrophobicContact CG2-CE1 3.97Å; T8-F58 HydrophobicContact CG2-CZ 4.04Å; V14-F58 HydrophobicContact CG1-CE2 4.09Å; V14-F58 HydrophobicContact CG1-CZ 4.31Å; V14-F58 HydrophobicContact CG2-CE1 4.41Å; V14-F58 HydrophobicContact CG2-CZ 4.15Å; K55-F58 HydrophobicContact CB-CB 4.27Å; K55-F58 HydrophobicContact CB-CD2 4.06Å; K55-F58 HydrophobicContact CG-CD2 3.53Å; K55-F58 HydrophobicContact CG-CE2 4.06Å; K55-F58 HydrophobicContact CG-CG 4.42Å; K55-F58 PolarHBondContact O-N 2.87Å; E56-F58 WeakPolarHBondContact O-CD2 3.32Å; E56-F58 PolarHBondContact O-N 3.31Å; F58-L79 HydrophobicContact CB-CB 4.28Å; F58-L79 HydrophobicContact CB-CD1 4.35Å; F58-L79 HydrophobicContact CD1-CB 3.5Å; F58-L79 HydrophobicContact CD1-CD1 4.47Å; F58-L79 HydrophobicContact CE1-CB 4.07Å; F58-L79 HydrophobicContact CG-CB 4.1Å; F58-L79 HydrophobicContact CG-CD1 4.33Å; F58-T80 WeakPolarHBondContact CA-O 3.44Å; F58-T80 WeakPolarHBondContact CD1-O 3.43Å
59V84.4Confident79.2Confident30 Ų3059.3 Ų59.318%0.18236%0.357CS..PPolyproline II helixtrans-67.2128.9171.9174.80000109.5A61 T80 A82 S111 P112V59-A61 PolarHBondContact O-N 2.82Å; V59-A61 VanDerWaalsContact O-N 3.15Å; V59-T80 WeakPolarHBondContact CB-OG1 3.49Å; V59-T80 WeakPolarHBondContact CG2-OG1 3.07Å; V59-T80 PolarHBondContact N-O 2.84Å; V59-A82 HydrophobicContact CG2-CB 4.41Å; V59-S111 WeakPolarHBondContact CG2-OG 3.25Å; V59-P112 HydrophobicContact CG1-CG 4.27Å; V59-P112 HydrophobicContact CG2-CG 4.49Å
60P86.8Confident78.4Confident65 Ų6563.2 Ų63.242%0.42238%0.38SS..PPolyproline II helixtrans-62.4116.7174.9-21.532.6000111I53I53-P60 CarbonylContact O-C 3.48Å; I53-P60 WeakPolarHBondContact O-CA 3.5Å
61A87.1Confident77.5Confident20 Ų2063.9 Ų63.917%0.16539%0.393CS..EExtended strand (participates in β ladder)trans-94.8144.7-178.100000111.4I53 V59 L79I53-A61 HydrophobicContact CB-CB 4.44Å; I53-A61 PolarHBondContact N-O 3.32Å; I53-A61 PolarHBondContact O-N 2.76Å; V59-A61 PolarHBondContact O-N 2.82Å; V59-A61 VanDerWaalsContact O-N 3.15Å; A61-L79 HydrophobicContact CB-CD2 3.52Å
62V86.8Confident76.7Confident96 Ų9668.8 Ų68.858%0.58242%0.418SS*.EExtended strand (participates in β ladder)trans-122.2121171.61780000109T22 I51T22-V62 HydrophobicContact CG2-CG1 3.67Å; T22-V62 HydrophobicContact CG2-CG2 4.39Å; I51-V62 VanDerWaalsContact O-CA 3.3Å; I51-V62 WeakPolarHBondContact O-CA 3.25Å
63V85.4Confident76Confident36 Ų3668.7 Ų68.722%0.21842%0.416CS..EExtended strand (participates in β ladder)trans-124.2129.6-176.5-161.30000110S50 I51 I53 L75 A77S50-V63 WeakPolarHBondContact CA-O 3.26Å; I51-V63 PolarHBondContact N-O 2.72Å; I51-V63 PolarHBondContact O-N 3.07Å; I53-V63 HydrophobicContact CD1-CG2 4.12Å; V63-L75 HydrophobicContact CB-CD1 4.46Å; V63-L75 HydrophobicContact CB-CD2 4.24Å; V63-L75 HydrophobicContact CG1-CD1 3.73Å; V63-L75 HydrophobicContact CG1-CD2 4.34Å; V63-L75 HydrophobicContact CG1-CG 4.24Å; V63-A77 HydrophobicContact CG2-CB 4.1Å
64S81.5Confident75.5Confident80 Ų8075.7 Ų75.756%0.55944%0.442SS*.EExtended strand (participates in β ladder)trans-84.8124.5179.154.60000111.7
65V74.6Confident75.4Confident13 Ų1372.6 Ų72.68%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-89.2118176.1-175.20000110.3L2 T49 I51 L75L2-V65 HydrophobicContact CD1-CG1 3.78Å; L2-V65 HydrophobicContact CD1-CG2 4.38Å; L2-V65 HydrophobicContact CD2-CG1 4.47Å; L2-V65 HydrophobicContact CD2-CG2 3.82Å; T49-V65 WeakPolarHBondContact O-CB 3.32Å; T49-V65 WeakPolarHBondContact O-CG2 3.48Å; T49-V65 PolarHBondContact O-N 3.13Å; I51-V65 HydrophobicContact CD1-CG2 3.61Å; I51-V65 HydrophobicContact CG1-CG2 4.08Å; V65-L75 HydrophobicContact CG2-CD1 4.22Å; V65-L75 HydrophobicContact CG2-CD2 4.17Å
66S65.8Low75.3Confident105 Ų10577.1 Ų77.173%0.73444%0.441SS*.  trans-98.8113.9164.653.90000109.8
67S63.2Low75.6Confident51 Ų5169.2 Ų69.236%0.35741%0.405SS..  trans-92.2123178.6-171.80000111.1S73S67-S73 PolarHBondContact OG-OG 2.82Å
68N58.5Low76Confident127 Ų12768.3 Ų68.368%0.67941%0.407SS*.  trans-77.9157.8161.2-72.1-22000109.7T70N68-T70 PolarHBondContact O-N 3.46Å
69A58.1Low76.1Confident110 Ų11067.8 Ų67.891%0.90941%0.405SS*.THydrogen-bonded Turntrans-71.69.8-164.900000116.3
70T59.6Low76Confident119 Ų11969.4 Ų69.473%0.7342%0.415SS*.THydrogen-bonded Turntrans-87.63.1-176.550.30000114.3N68 I72N68-T70 PolarHBondContact O-N 3.46Å; T70-I72 PolarHBondContact O-N 2.89Å
71G64Low75.6Confident48 Ų4868.3 Ų68.350%0.49541%0.409SS..SBendtrans72.9-4.9174.900000115.8M1M1-G71 PolarHBondContact N-O 2.92Å
72I68.3Low75.5Confident102 Ų10268.5 Ų68.552%0.52341%0.41SS..  trans-119.6141170.3-60.7177.1000107.8M1 F3 T70M1-I72 WeakPolarHBondContact O-CA 3.48Å; F3-I72 HydrophobicContact CD2-CG2 3.96Å; F3-I72 HydrophobicContact CE2-CG2 4.04Å; T70-I72 PolarHBondContact O-N 2.89Å
73S74.1Confident75.3Confident19 Ų1968 Ų6813%0.13340%0.402CS..EExtended strand (participates in β ladder)trans-143151.3173.1-63.90000109.9M1 F3 S67M1-S73 PolarHBondContact O-N 3.42Å; F3-S73 PolarHBondContact N-O 2.95Å; S67-S73 PolarHBondContact OG-OG 2.82Å
74W78.8Confident75.3Confident147 Ų14768.9 Ų68.956%0.55740%0.403SS*.EExtended strand (participates in β ladder)trans-115.4145.3177.6-163.1-82.7000110.3F3 D5F3-W74 HydrophobicContact CB-CD2 4.14Å; F3-W74 HydrophobicContact CB-CE3 3.42Å; F3-W74 VanDerWaalsContact CB-CE3 3.42Å; F3-W74 HydrophobicContact CB-CH2 4.16Å; F3-W74 HydrophobicContact CB-CZ3 3.44Å; F3-W74 VanDerWaalsContact CB-CZ3 3.44Å; F3-W74 HydrophobicContact CD1-CZ3 4.37Å; F3-W74 HydrophobicContact CG-CE3 4.3Å; F3-W74 HydrophobicContact CG-CZ3 4.1Å; F3-W74 CarbonylContact O-C 3.53Å; F3-W74 WeakPolarHBondContact O-CA 3.21Å; D5-W74 HydrophobicContact CB-CZ2 4.34Å; D5-W74 PolarHBondContact OD1-NE1 2.83Å
75L83.1Confident75.6Confident17 Ų1765.4 Ų65.49%0.08938%0.378CS..EExtended strand (participates in β ladder)trans-135.3117.9179.2-167.575000110.3L2 F3 G4 D5 F38 I51 V63 V65L2-L75 HydrophobicContact CD1-CB 4.23Å; F3-L75 PolarHBondContact O-N 3.15Å; G4-L75 CarbonylContact C-O 3.57Å; G4-L75 WeakPolarHBondContact CA-O 3.37Å; D5-L75 PolarHBondContact N-O 3.44Å; F38-L75 HydrophobicContact CZ-CD2 4.22Å; I51-L75 HydrophobicContact CD1-CD2 4.28Å; V63-L75 HydrophobicContact CB-CD1 4.46Å; V63-L75 HydrophobicContact CB-CD2 4.24Å; V63-L75 HydrophobicContact CG1-CD1 3.73Å; V63-L75 HydrophobicContact CG1-CD2 4.34Å; V63-L75 HydrophobicContact CG1-CG 4.24Å; V65-L75 HydrophobicContact CG2-CD1 4.22Å; V65-L75 HydrophobicContact CG2-CD2 4.17Å
76R84.4Confident76.2Confident155 Ų15567.3 Ų67.359%0.58538%0.384SS*.EExtended strand (participates in β ladder)trans-92.3133.9164.3177.9164.1-74.2-175.4-11.2109.4D5D5-R76 WeakPolarHBondContact O-CA 3.24Å; D5-R76 IonicContact OD1-NE 3.93Å; D5-R76 IonicContact OD2-CZ 2.66Å; D5-R76 IonicContact OD2-NE 3.46Å; D5-R76 PolarHBondContact OD2-NE 2.69Å; D5-R76 IonicContact OD2-NH2 2.74Å; D5-R76 PolarHBondContact OD2-NH2 3.22Å
77A85.4Confident77.2Confident2 Ų262.6 Ų62.62%0.01735%0.351CS..EExtended strand (participates in β ladder)trans-123.2137.8172.200000110.3D5 I6 Q7 I53 V63D5-A77 PolarHBondContact O-N 3.16Å; I6-A77 WeakPolarHBondContact CA-O 3.26Å; I6-A77 HydrophobicContact CG1-CB 4.34Å; I6-A77 HydrophobicContact CG2-CB 4.34Å; Q7-A77 PolarHBondContact N-O 3.36Å; I53-A77 HydrophobicContact CD1-CB 3.32Å; V63-A77 HydrophobicContact CG2-CB 4.1Å
78V85.2Confident78.3Confident79 Ų7964.6 Ų64.648%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-112125.9175.6179.80000108.4Q7 V9Q7-V78 CarbonylContact O-C 3.52Å; Q7-V78 VanDerWaalsContact O-CA 3.32Å; Q7-V78 WeakPolarHBondContact O-CA 3.43Å; V9-V78 HydrophobicContact CB-CG1 4.5Å; V9-V78 HydrophobicContact CG2-CG1 4.03Å
79L83.4Confident79.6Confident2 Ų262.6 Ų62.61%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-103.5130.7175-63.3-179.4000110.6I6 Q7 T8 V14 I53 K55 F58 A61I6-L79 HydrophobicContact CG2-CD1 3.63Å; I6-L79 HydrophobicContact CG2-CG 3.74Å; Q7-L79 PolarHBondContact O-N 2.85Å; T8-L79 WeakPolarHBondContact CA-O 3.48Å; V14-L79 HydrophobicContact CB-CD1 4.41Å; V14-L79 HydrophobicContact CG1-CD1 4.09Å; V14-L79 HydrophobicContact CG2-CD1 4.42Å; I53-L79 HydrophobicContact CG2-CD1 4.08Å; I53-L79 HydrophobicContact CG2-CD2 3.93Å; I53-L79 HydrophobicContact CG2-CG 4.44Å; K55-L79 HydrophobicContact CB-CD1 4.2Å; F58-L79 HydrophobicContact CB-CB 4.28Å; F58-L79 HydrophobicContact CB-CD1 4.35Å; F58-L79 HydrophobicContact CD1-CB 3.5Å; F58-L79 HydrophobicContact CD1-CD1 4.47Å; F58-L79 HydrophobicContact CE1-CB 4.07Å; F58-L79 HydrophobicContact CG-CB 4.1Å; F58-L79 HydrophobicContact CG-CD1 4.33Å; A61-L79 HydrophobicContact CB-CD2 3.52Å
80T82.6Confident81Confident64 Ų6460.5 Ų60.539%0.39332%0.317SS..PPolyproline II helixtrans-92.5141.5169.351.60000109.8V9 F58 V59V9-T80 HydrophobicContact CG2-CG2 3.71Å; F58-T80 WeakPolarHBondContact CA-O 3.44Å; F58-T80 WeakPolarHBondContact CD1-O 3.43Å; V59-T80 WeakPolarHBondContact CB-OG1 3.49Å; V59-T80 WeakPolarHBondContact CG2-OG1 3.07Å; V59-T80 PolarHBondContact N-O 2.84Å
81S78.9Confident82.5Confident43 Ų4355.1 Ų55.130%0.30128%0.284SS..BIsolated β-bridgetrans-52.4144.8169.2-54.60000110.9S111S81-S111 PolarHBondContact O-OG 3.09Å
82A83.5Confident83.6Confident23 Ų2354.2 Ų54.219%0.1927%0.267CS..PPolyproline II helixtrans-89.8139.4170.300000109.8K57 V59 S111 A158K57-A82 PolarHBondContact O-N 2.9Å; V59-A82 HydrophobicContact CG2-CB 4.41Å; A82-S111 CarbonylContact C-O 3.53Å; A82-S111 WeakPolarHBondContact CA-O 3.41Å; A82-S111 WeakPolarHBondContact CB-O 3.32Å; A82-A158 HydrophobicContact CB-CB 3.98Å
83E82.5Confident84.4Confident85 Ų8551.2 Ų51.240%0.39725%0.252SS..EExtended strand (participates in β ladder)trans-117.7133.5-177.4-60.8167.3176.200108.8S111 N156E83-S111 PolarHBondContact N-O 3.29Å; E83-S111 PolarHBondContact O-N 3.39Å; E83-N156 PolarHBondContact O-ND2 3.23Å
84K84.9Confident85.1Confident56 Ų5650.4 Ų50.424%0.24325%0.246CC..EExtended strand (participates in β ladder)trans-62.2149.7173.1-82.3-162.6172.6-164.30110.4A158 V421 D422 E423K84-A158 WeakPolarHBondContact CE-O 3.43Å; K84-A158 WeakPolarHBondContact CG-O 3.29Å; K84-V421 PolarHBondContact NZ-O 3.21Å; K84-D422 PolarHBondContact NZ-O 3.49Å; K84-E423 WeakPolarHBondContact CE-OE1 3.36Å; K84-E423 IonicContact NZ-OE1 2.87Å; K84-E423 PolarHBondContact NZ-OE1 3.5Å
85P88.9Confident85.5Confident6 Ų644 Ų444%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-61.6138.3178.3-24.737000112.2T109 P114 T154 N156 I161P85-T109 CarbonylContact C-O 2.83Å; P85-T109 WeakPolarHBondContact CA-O 3.3Å; P85-P114 HydrophobicContact CB-CG 3.8Å; P85-P114 HydrophobicContact CG-CG 4.08Å; P85-T154 HydrophobicContact CB-CG2 4.48Å; P85-N156 WeakPolarHBondContact CD-OD1 3.01Å; P85-N156 HydrophobicContact CG-CB 4.1Å; P85-N156 WeakPolarHBondContact CG-OD1 3.14Å; P85-I161 HydrophobicContact CB-CB 4.25Å; P85-I161 HydrophobicContact CB-CG2 3.6Å; P85-I161 WeakPolarHBondContact O-CB 3.08Å
86Y86.9Confident85.8Confident54 Ų5443.8 Ų43.821%0.21222%0.221CC..EExtended strand (participates in β ladder)trans-126.8130.5173.6-177.6-98.7000110.6V88 A108 T109 T481Y86-V88 HydrophobicContact CD1-CG2 4.17Å; Y86-V88 PolarHBondContact O-N 2.85Å; Y86-A108 CarbonylContact O-C 3.48Å; Y86-A108 WeakPolarHBondContact O-CA 3.26Å; Y86-A108 VanDerWaalsContact O-CB 3.28Å; Y86-A108 WeakPolarHBondContact O-CB 3.34Å; Y86-T109 PolarHBondContact N-O 2.91Å; Y86-T109 PolarHBondContact O-N 3.44Å; Y86-T481 HydrophobicContact CD1-CG2 4.09Å; Y86-T481 HydrophobicContact CD2-CG2 3.48Å; Y86-T481 VanDerWaalsContact CD2-CG2 3.48Å; Y86-T481 HydrophobicContact CE2-CG2 4Å; Y86-T481 HydrophobicContact CG-CG2 3.53Å
87I87.7Confident86Confident6 Ų639 Ų393%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-73.5113.4178.9-56.8-73.8000109.1K89 H90 A108 T154 I161I87-K89 WeakPolarHBondContact CG2-O 3.44Å; I87-H90 VanDerWaalsContact CG2-CD2 3.49Å; I87-H90 WeakPolarHBondContact CG2-CD2 3.06Å; I87-A108 HydrophobicContact CD1-CB 4.3Å; I87-T154 HydrophobicContact CD1-CG2 4.08Å; I87-I161 HydrophobicContact CD1-CG2 3.76Å; I87-I161 HydrophobicContact CG1-CG1 3.9Å; I87-I161 HydrophobicContact CG1-CG2 3.83Å
88V84.9Confident86.3Confident92 Ų9242.5 Ų42.556%0.55822%0.22SC*.EExtended strand (participates in β ladder)trans-91.5-24.2173.2178.30000111Y86 S107 T109Y86-V88 HydrophobicContact CD1-CG2 4.17Å; Y86-V88 PolarHBondContact O-N 2.85Å; V88-S107 PolarHBondContact N-O 2.98Å; V88-T109 HydrophobicContact CG2-CG2 3.77Å; V88-T109 VanDerWaalsContact CG2-OG1 3.29Å; V88-T109 WeakPolarHBondContact CG2-OG1 3.22Å
89K86Confident86.5Confident85 Ų8540.8 Ų40.837%0.3722%0.218SC..EExtended strand (participates in β ladder)trans-133.8112.1178.2-166.2179.2-171174.90110.8I87 C105 C106 S107 C223I87-K89 WeakPolarHBondContact CG2-O 3.44Å; K89-C105 HydrophobicContact CD-CB 4.42Å; K89-C106 WeakPolarHBondContact O-CA 3.04Å; K89-S107 PolarHBondContact N-O 2.81Å; K89-S107 PolarHBondContact O-N 3.23Å; K89-C223 PolarHBondContact NZ-SG 2.94Å
90H88.3Confident86.8Confident66 Ų6641 Ų4131%0.30622%0.22SC..  trans-84.6156.2173.5-65.8-106.9000110.5I87 C105 S164I87-H90 VanDerWaalsContact CG2-CD2 3.49Å; I87-H90 WeakPolarHBondContact CG2-CD2 3.06Å; H90-C105 CarbonylContact C-O 3.6Å; H90-S164 PolarHBondContact ND1-N 3.05Å; H90-S164 PolarHBondContact ND1-OG 3.24Å
91P91.5Very high87.2Confident6 Ų642.5 Ų42.54%0.03922%0.219CC..  trans-66.6156.3166.629.7-33.7000110.9L104 C105 W119 S163 A166P91-L104 HydrophobicContact CB-CB 4.5Å; P91-C105 WeakPolarHBondContact CA-O 3.47Å; P91-W119 HydrophobicContact CB-CH2 4.08Å; P91-W119 HydrophobicContact CB-CZ3 4.25Å; P91-W119 HydrophobicContact CG-CH2 4.48Å; P91-W119 HydrophobicContact CG-CZ3 4.42Å; P91-S163 WeakPolarHBondContact CD-OG 3.41Å; P91-A166 HydrophobicContact CB-CB 3.62Å; P91-A166 HydrophobicContact CG-CB 3.76Å
92E86Confident87.7Confident30 Ų3040.5 Ų40.514%0.1421%0.205CC..  trans-119.6141.9-177.5-67174.7-167.300110.8K94 R224E92-K94 PolarHBondContact O-N 3.17Å; E92-R224 IonicContact OE1-CZ 3.08Å; E92-R224 IonicContact OE1-NE 3.68Å; E92-R224 PolarHBondContact OE1-NE 2.97Å; E92-R224 IonicContact OE1-NH2 3.68Å; E92-R224 PolarHBondContact OE1-NH2 2.96Å; E92-R224 WeakPolarHBondContact OE2-CA 3.14Å; E92-R224 VanDerWaalsContact OE2-CB 3.22Å; E92-R224 WeakPolarHBondContact OE2-CB 3.44Å; E92-R224 VanDerWaalsContact OE2-CG 3.25Å; E92-R224 WeakPolarHBondContact OE2-CG 3.44Å; E92-R224 IonicContact OE2-NE 2.73Å; E92-R224 PolarHBondContact OE2-NE 3.03Å
93D86Confident88.1Confident38 Ų3840.4 Ų40.420%0.20320%0.201CC..  trans-69.5128.9-176.5-14.6-81.5000111.2H167 K212 K335D93-H167 CarbonylContact C-O 3.49Å; D93-H167 WeakPolarHBondContact CA-O 3.4Å; D93-H167 HydrophobicContact CB-CB 4.35Å; D93-H167 VanDerWaalsContact CB-O 3.27Å; D93-H167 WeakPolarHBondContact CB-O 3.27Å; D93-H167 PolarHBondContact OD1-N 3.44Å; D93-K212 PolarHBondContact O-NZ 3.37Å; D93-K212 IonicContact OD2-NZ 2.69Å; D93-K212 PolarHBondContact OD2-NZ 3.3Å; D93-K335 IonicContact OD1-NZ 3.86Å; D93-K335 PolarHBondContact OD1-NZ 2.95Å; D93-K335 IonicContact OD2-NZ 3.55Å; D93-K335 PolarHBondContact OD2-NZ 3.21Å
94K87.4Confident88.7Confident3 Ų336.5 Ų36.51%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-124.5148.1-173.9-74167.8-166.8-930111.2E92 L103 L104 H167 L168 T169 R222 C223 D225E92-K94 PolarHBondContact O-N 3.17Å; K94-L103 WeakPolarHBondContact CE-O 3.46Å; K94-L103 PolarHBondContact NZ-O 2.9Å; K94-L104 HydrophobicContact CD-CD2 4.05Å; K94-H167 PolarHBondContact N-O 3.39Å; K94-L168 HydrophobicContact CB-CD1 4.08Å; K94-T169 PolarHBondContact O-N 2.94Å; K94-R222 PolarHBondContact NZ-O 2.98Å; K94-C223 WeakPolarHBondContact CE-O 3.22Å; K94-C223 PolarHBondContact NZ-O 2.61Å; K94-D225 IonicContact NZ-OD1 3.21Å; K94-D225 PolarHBondContact NZ-OD1 2.85Å
95V87.9Confident89.1Confident13 Ų1334 Ų348%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-121.7134.3170.6-165.90000108.4T169 I171 K212 P214V95-T169 WeakPolarHBondContact CA-O 3.44Å; V95-T169 HydrophobicContact CG1-CG2 4.26Å; V95-I171 HydrophobicContact CG1-CD1 3.7Å; V95-I171 HydrophobicContact CG1-CG1 3.99Å; V95-K212 HydrophobicContact CG2-CB 3.52Å; V95-P214 HydrophobicContact CG1-CG 4.4Å
96R88.8Confident89.3Confident12 Ų1233.7 Ų33.75%0.04517%0.17CC..EExtended strand (participates in β ladder)trans-145156.1-176.8-69.1-63-176.3-85.63110.6R101 L142 T169 V170 I171 D225R96-R101 PolarHBondContact NE-O 3.4Å; R96-R101 VanDerWaalsContact NE-O 3.16Å; R96-L142 HydrophobicContact CB-CD1 3.56Å; R96-L142 HydrophobicContact CG-CD1 3.83Å; R96-T169 PolarHBondContact N-O 2.89Å; R96-V170 WeakPolarHBondContact O-CA 3.27Å; R96-I171 PolarHBondContact O-N 2.76Å; R96-D225 IonicContact CZ-OD1 3.92Å; R96-D225 IonicContact CZ-OD2 3.68Å; R96-D225 IonicContact NH1-OD1 3.63Å; R96-D225 IonicContact NH1-OD2 2.7Å; R96-D225 PolarHBondContact NH1-OD2 2.76Å; R96-D225 VanDerWaalsContact NH2-CG 3.25Å; R96-D225 IonicContact NH2-OD1 3.69Å; R96-D225 PolarHBondContact NH2-OD1 3.47Å; R96-D225 IonicContact NH2-OD2 2.61Å; R96-D225 PolarHBondContact NH2-OD2 2.76Å
97Y89.7Confident89.5Confident54 Ų5433.4 Ų33.421%0.21218%0.176CC..EExtended strand (participates in β ladder)trans-76.5154.7164.2-74.6-70.5000112.2G100 I171 A177 P214Y97-G100 WeakPolarHBondContact O-CA 3.41Å; Y97-G100 PolarHBondContact O-N 2.76Å; Y97-I171 CarbonylContact C-O 3.59Å; Y97-I171 WeakPolarHBondContact CA-O 3.39Å; Y97-I171 HydrophobicContact CD1-CB 4.11Å; Y97-I171 HydrophobicContact CD1-CG2 3.92Å; Y97-I171 HydrophobicContact CE1-CB 4.31Å; Y97-I171 HydrophobicContact CE1-CG2 3.71Å; Y97-A177 WeakPolarHBondContact OH-CB 3.46Å; Y97-P214 HydrophobicContact CD1-CG 4.48Å; Y97-P214 HydrophobicContact CD2-CB 3.79Å; Y97-P214 HydrophobicContact CD2-CG 3.84Å; Y97-P214 HydrophobicContact CE1-CG 4.18Å; Y97-P214 HydrophobicContact CE2-CB 3.78Å; Y97-P214 HydrophobicContact CE2-CG 3.48Å; Y97-P214 VanDerWaalsContact CE2-CG 3.48Å; Y97-P214 HydrophobicContact CG-CB 4.5Å; Y97-P214 HydrophobicContact CG-CG 4.33Å
98E91.9Very high89.6Confident76 Ų7633.6 Ų33.636%0.35518%0.179SC..THydrogen-bonded Turntrans-53.5142.7166.1-175.7174.8-142.700112G100 L142 V170 I171 N173E98-G100 PolarHBondContact O-N 3.41Å; E98-L142 CarbonylContact C-O 3.53Å; E98-L142 VanDerWaalsContact CA-O 3.3Å; E98-L142 WeakPolarHBondContact CA-O 3.19Å; E98-V170 HydrophobicContact CB-CG1 4.35Å; E98-I171 PolarHBondContact N-O 2.98Å; E98-N173 PolarHBondContact OE2-N 3.09Å
99G89.4Confident89.9Confident43 Ų4333 Ų3344%0.44318%0.176SC..THydrogen-bonded Turntrans73.3-7.7-167.400000114.3L142G99-L142 PolarHBondContact N-O 3.46Å
100G89.1Confident89.9Confident6 Ų629.9 Ų29.96%0.06217%0.168CC..  trans-70.6-167.317900000114.5Y97 E98 D141 L142Y97-G100 WeakPolarHBondContact O-CA 3.41Å; Y97-G100 PolarHBondContact O-N 2.76Å; E98-G100 PolarHBondContact O-N 3.41Å; G100-D141 PolarHBondContact O-N 3.13Å; G100-D141 VanDerWaalsContact O-N 3.12Å; G100-L142 WeakPolarHBondContact O-CG 3.38Å; G100-L142 PolarHBondContact O-N 2.87Å; G100-L142 VanDerWaalsContact O-N 3.1Å
101R90.1Very high89.8Confident96 Ų9628 Ų2836%0.36216%0.161SC..EExtended strand (participates in β ladder)trans-137.5146.4178.9-57.5-178.2-127.9148.24111.5R96 L139 R140 M221R96-R101 PolarHBondContact NE-O 3.4Å; R96-R101 VanDerWaalsContact NE-O 3.16Å; R101-L139 WeakPolarHBondContact CA-O 3.24Å; R101-R140 HydrophobicContact CG-CB 4.5Å; R101-M221 HydrophobicContact CB-SD 4.21Å
102A90.8Very high89.7Confident1 Ų129.9 Ų29.91%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-132.2143.5173.200000111L139 L142 L168A102-L139 HydrophobicContact CB-CB 4.4Å; A102-L139 PolarHBondContact N-O 3.29Å; A102-L139 PolarHBondContact O-N 2.86Å; A102-L142 HydrophobicContact CB-CD1 4.12Å; A102-L168 HydrophobicContact CB-CD1 4.16Å; A102-L168 HydrophobicContact CB-CD2 4.45Å
103L92.3Very high89.8Confident21 Ų2132.2 Ų32.211%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-118.1111.2169.4169.756.9000107.4K94 D136 V138 M221K94-L103 WeakPolarHBondContact CE-O 3.46Å; K94-L103 PolarHBondContact NZ-O 2.9Å; L103-D136 HydrophobicContact CD1-CB 3.96Å; L103-V138 HydrophobicContact CD1-CG2 3.95Å; L103-M221 HydrophobicContact CB-CE 3.84Å; L103-M221 HydrophobicContact CB-SD 4.48Å; L103-M221 HydrophobicContact CD2-CE 4.38Å; L103-M221 WeakPolarHBondContact CD2-O 3.39Å
104L94.1Very high90.1Very high2 Ų231.1 Ų31.11%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-100131.5170.5-61.9176000107.7P91 K94 W119 L137 Y150P91-L104 HydrophobicContact CB-CB 4.5Å; K94-L104 HydrophobicContact CD-CD2 4.05Å; L104-W119 HydrophobicContact CB-CH2 3.66Å; L104-W119 HydrophobicContact CB-CZ2 4.46Å; L104-W119 HydrophobicContact CB-CZ3 3.86Å; L104-W119 HydrophobicContact CD1-CZ3 4.39Å; L104-L137 HydrophobicContact CB-CB 4.46Å; L104-L137 HydrophobicContact CD1-CD2 4.41Å; L104-L137 PolarHBondContact N-O 3.39Å; L104-L137 PolarHBondContact O-N 2.91Å; L104-Y150 HydrophobicContact CD1-CD1 3.98Å; L104-Y150 HydrophobicContact CD1-CD2 3.96Å; L104-Y150 HydrophobicContact CD1-CG 3.56Å
105C93.2Very high90Very high3 Ų335.8 Ų35.82%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-119.1142.5-175-61.20000111.2K89 H90 P91 D136 C223K89-C105 HydrophobicContact CD-CB 4.42Å; H90-C105 CarbonylContact C-O 3.6Å; P91-C105 WeakPolarHBondContact CA-O 3.47Å; C105-D136 WeakPolarHBondContact CA-OD1 3.3Å; C105-D136 WeakPolarHBondContact CB-OD1 3.49Å; C105-D136 PolarHBondContact SG-OD1 2.56Å; C105-D136 VanDerWaalsContact SG-OD1 3.32Å; C105-C223 HydrophobicContact CB-CB 3.55Å; C105-C223 WeakPolarHBondContact CB-SG 3.34Å; C105-C223 WeakPolarHBondContact SG-CA 3.37Å; C105-C223 WeakPolarHBondContact SG-CB 3.31Å; C105-C223 CovalentContact SG-SG 2.02Å; C105-C223 PolarHBondContact SG-SG 2.89Å
106C93.6Very high90.1Very high0 Ų039.4 Ų39.40%023%0.233CC..  trans-134.6143.8173.8165.80000108.4K89 W119 N135 D136 C152K89-C106 WeakPolarHBondContact O-CA 3.04Å; C106-W119 HydrophobicContact CB-CH2 3.97Å; C106-W119 HydrophobicContact CB-CZ2 3.56Å; C106-N135 WeakPolarHBondContact CB-O 3.34Å; C106-N135 PolarHBondContact N-O 3Å; C106-N135 VanDerWaalsContact N-O 3.16Å; C106-N135 WeakPolarHBondContact O-CB 3.32Å; C106-N135 PolarHBondContact O-ND2 2.84Å; C106-N135 VanDerWaalsContact O-ND2 3.12Å; C106-D136 PolarHBondContact N-OD1 2.94Å; C106-C152 HydrophobicContact CB-CB 3.57Å; C106-C152 WeakPolarHBondContact CB-SG 3.19Å; C106-C152 WeakPolarHBondContact SG-CB 3.48Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å
107S91.3Very high90.4Very high48 Ų4839.9 Ų39.934%0.33624%0.235SC..EExtended strand (participates in β ladder)trans-153.5139.1174.8-168.60000110.9V88 K89V88-S107 PolarHBondContact N-O 2.98Å; K89-S107 PolarHBondContact N-O 2.81Å; K89-S107 PolarHBondContact O-N 3.23Å
108A90.6Very high90.6Very high11 Ų1141.4 Ų41.49%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-133.6147.6-179.400000112.4Y86 I87 P114 Y117 T154Y86-A108 CarbonylContact O-C 3.48Å; Y86-A108 WeakPolarHBondContact O-CA 3.26Å; Y86-A108 VanDerWaalsContact O-CB 3.28Å; Y86-A108 WeakPolarHBondContact O-CB 3.34Å; I87-A108 HydrophobicContact CD1-CB 4.3Å; A108-P114 HydrophobicContact CB-CG 4.03Å; A108-Y117 PolarHBondContact N-OH 2.61Å; A108-Y117 VanDerWaalsContact N-OH 3.15Å; A108-T154 HydrophobicContact CB-CG2 3.6Å
109T89.8Confident90.9Very high80 Ų8037.8 Ų37.849%0.49122%0.224SC..EExtended strand (participates in β ladder)trans-100.6167.6166.248.50000110.3P85 Y86 V88P85-T109 CarbonylContact C-O 2.83Å; P85-T109 WeakPolarHBondContact CA-O 3.3Å; Y86-T109 PolarHBondContact N-O 2.91Å; Y86-T109 PolarHBondContact O-N 3.44Å; V88-T109 HydrophobicContact CG2-CG2 3.77Å; V88-T109 VanDerWaalsContact CG2-OG1 3.29Å; V88-T109 WeakPolarHBondContact CG2-OG1 3.22Å
110G86.9Confident91.2Very high19 Ų1938 Ų3820%0.19621%0.212CC..EExtended strand (participates in β ladder)trans156.4171.4178.100000110.6P112 A113G110-P112 CarbonylContact C-O 3.47Å; G110-P112 CarbonylContact O-C 3.55Å; G110-A113 WeakPolarHBondContact O-CA 3.48Å; G110-A113 PolarHBondContact O-N 3.44Å
111S86Confident91.5Very high25 Ų2539.1 Ų39.118%0.17522%0.216CC..EExtended strand (participates in β ladder)trans-131.1104.4-175.1-178.60000109.4V59 S81 A82 E83V59-S111 WeakPolarHBondContact CG2-OG 3.25Å; S81-S111 PolarHBondContact O-OG 3.09Å; A82-S111 CarbonylContact C-O 3.53Å; A82-S111 WeakPolarHBondContact CA-O 3.41Å; A82-S111 WeakPolarHBondContact CB-O 3.32Å; E83-S111 PolarHBondContact N-O 3.29Å; E83-S111 PolarHBondContact O-N 3.39Å
112P88.9Confident91.6Very high46 Ų4639 Ų3930%0.29922%0.222SC..SBendcis-64.9162.7-1.6-18.432000114V59 G110 N156 A157V59-P112 HydrophobicContact CG1-CG 4.27Å; V59-P112 HydrophobicContact CG2-CG 4.49Å; G110-P112 CarbonylContact C-O 3.47Å; G110-P112 CarbonylContact O-C 3.55Å; P112-N156 VanDerWaalsContact O-CB 3.28Å; P112-N156 WeakPolarHBondContact O-CB 3.27Å; P112-N156 PolarHBondContact O-ND2 3.45Å; P112-A157 HydrophobicContact CG-CB 4.36Å
113A89.1Confident91.6Very high80 Ų8041.1 Ų41.166%0.66124%0.244SC*.PPolyproline II helixtrans-58.1134174.400000111.5G110 D115G110-A113 WeakPolarHBondContact O-CA 3.48Å; G110-A113 PolarHBondContact O-N 3.44Å; A113-D115 PolarHBondContact O-N 2.98Å
114P90.8Very high91.7Very high14 Ų1444.7 Ų44.79%0.09127%0.267CS..PPolyproline II helixtrans-65.8126.6-178.5-23.134.8000113.6P85 A108 Y117 T154 S155 N156P85-P114 HydrophobicContact CB-CG 3.8Å; P85-P114 HydrophobicContact CG-CG 4.08Å; A108-P114 HydrophobicContact CB-CG 4.03Å; P114-Y117 WeakPolarHBondContact O-CE2 3.41Å; P114-T154 HydrophobicContact CB-CG2 4.33Å; P114-T154 WeakPolarHBondContact CB-OG1 3.05Å; P114-S155 WeakPolarHBondContact CA-O 3.05Å; P114-N156 HydrophobicContact CG-CB 4.44Å
115D85.8Confident91.8Very high102 Ų10248.9 Ų48.955%0.54529%0.289SS..  trans-105.5-23.6-177.270.4-37.8000113.7A113 S155A113-D115 PolarHBondContact O-N 2.98Å; D115-S155 PolarHBondContact N-O 3.06Å
116K90.2Very high92Very high88 Ų8849.5 Ų49.538%0.38329%0.292SS..EExtended strand (participates in β ladder)trans-107.990-170-71.3165.7-161.586.80112.7Y118 T154 S155K116-Y118 HydrophobicContact CB-CE2 3.89Å; K116-T154 VanDerWaalsContact O-CA 3.29Å; K116-T154 WeakPolarHBondContact O-CA 3.28Å; K116-T154 PolarHBondContact O-OG1 2.91Å; K116-S155 PolarHBondContact O-N 3.44Å
117Y94.3Very high92Very high22 Ų2253.2 Ų53.29%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-91.2138.9171.4-67.1-98.1000112.5A108 P114 K128 G134 N135 T154A108-Y117 PolarHBondContact N-OH 2.61Å; A108-Y117 VanDerWaalsContact N-OH 3.15Å; P114-Y117 WeakPolarHBondContact O-CE2 3.41Å; Y117-K128 PolarHBondContact O-NZ 2.78Å; Y117-G134 VanDerWaalsContact CB-O 3.23Å; Y117-G134 WeakPolarHBondContact CB-O 3.43Å; Y117-N135 HydrophobicContact CD1-CB 3.98Å; Y117-N135 HydrophobicContact CD2-CB 3.97Å; Y117-N135 HydrophobicContact CE1-CB 3.88Å; Y117-N135 HydrophobicContact CE2-CB 3.9Å; Y117-N135 HydrophobicContact CG-CB 4.02Å; Y117-T154 HydrophobicContact CD1-CG2 4.35Å; Y117-T154 HydrophobicContact CE1-CG2 3.92Å; Y117-T154 WeakPolarHBondContact CE1-OG1 3.45Å
118Y95.2Very high92Very high87 Ų8755 Ų5534%0.34131%0.314SS..EExtended strand (participates in β ladder)trans-131.3140.3176-56.2-84.5000109K116 L125 C152 K153K116-Y118 HydrophobicContact CB-CE2 3.89Å; Y118-L125 HydrophobicContact CD1-CD1 4.34Å; Y118-C152 CarbonylContact O-C 3.59Å; Y118-C152 VanDerWaalsContact O-CA 3.27Å; Y118-C152 WeakPolarHBondContact O-CA 3.29Å; Y118-K153 PolarHBondContact N-O 2.75Å; Y118-K153 PolarHBondContact O-N 3.16Å
119W97.1Very high92Very high0 Ų060.7 Ų60.70%034%0.342CS..EExtended strand (participates in β ladder)trans-118.7140.9178.7-8188.2000111.7P91 L104 C106 L126 Y133 G134 N135 L137 C152P91-W119 HydrophobicContact CB-CH2 4.08Å; P91-W119 HydrophobicContact CB-CZ3 4.25Å; P91-W119 HydrophobicContact CG-CH2 4.48Å; P91-W119 HydrophobicContact CG-CZ3 4.42Å; L104-W119 HydrophobicContact CB-CH2 3.66Å; L104-W119 HydrophobicContact CB-CZ2 4.46Å; L104-W119 HydrophobicContact CB-CZ3 3.86Å; L104-W119 HydrophobicContact CD1-CZ3 4.39Å; C106-W119 HydrophobicContact CB-CH2 3.97Å; C106-W119 HydrophobicContact CB-CZ2 3.56Å; W119-L126 HydrophobicContact CB-CD1 4.14Å; W119-L126 WeakPolarHBondContact O-CB 3.07Å; W119-L126 PolarHBondContact O-N 3.06Å; W119-Y133 HydrophobicContact CB-CD1 4.21Å; W119-Y133 HydrophobicContact CB-CE1 4.15Å; W119-Y133 HydrophobicContact CB-CE2 4.47Å; W119-Y133 HydrophobicContact CB-CG 4.4Å; W119-Y133 AromaticContact CD1-CD2 3.57Å; W119-Y133 AromaticContact CD1-CG 3.69Å; W119-Y133 HydrophobicContact CG-CD2 4.43Å; W119-Y133 HydrophobicContact CG-CG 4.35Å; W119-G134 PolarHBondContact NE1-O 2.7Å; W119-N135 VanDerWaalsContact CZ2-O 3.32Å; W119-N135 WeakPolarHBondContact CZ2-O 3.46Å; W119-N135 PolarHBondContact NE1-O 3.32Å; W119-L137 HydrophobicContact CB-CD2 4.14Å; W119-L137 HydrophobicContact CD2-CB 3.68Å; W119-L137 HydrophobicContact CD2-CD2 3.87Å; W119-L137 HydrophobicContact CD2-CG 4.39Å; W119-L137 HydrophobicContact CE3-CB 4.17Å; W119-L137 HydrophobicContact CE3-CD2 3.77Å; W119-L137 HydrophobicContact CG-CB 3.98Å; W119-L137 HydrophobicContact CG-CD2 4.06Å; W119-L137 HydrophobicContact CG-CG 4.5Å; W119-L137 HydrophobicContact CH2-CB 4.45Å; W119-L137 HydrophobicContact CZ2-CB 3.99Å; W119-L137 HydrophobicContact CZ3-CD2 4.44Å; W119-C152 HydrophobicContact CD2-CB 4.1Å; W119-C152 HydrophobicContact CE3-CB 4.32Å; W119-C152 HydrophobicContact CH2-CB 4.45Å; W119-C152 HydrophobicContact CZ2-CB 4.24Å; W119-C152 HydrophobicContact CZ3-CB 4.48Å
120Y96.2Very high92.1Very high46 Ų4663.2 Ų63.218%0.1835%0.35CS..EExtended strand (participates in β ladder)trans-121.1147.3-178.4-64.6-104.5000110.5T124 L125 Y150 Y151 K153Y120-T124 CarbonylContact C-O 3.58Å; Y120-T124 WeakPolarHBondContact CA-O 3.09Å; Y120-L125 HydrophobicContact CD1-CB 4.07Å; Y120-L125 HydrophobicContact CD2-CD1 4.49Å; Y120-L125 HydrophobicContact CE1-CB 3.81Å; Y120-L125 HydrophobicContact CE1-CD1 4.16Å; Y120-L125 HydrophobicContact CE2-CD1 4.06Å; Y120-Y150 WeakPolarHBondContact O-CA 3.21Å; Y120-Y151 HydrophobicContact CD1-CE2 4.24Å; Y120-Y151 AromaticContact CD2-CD2 3.94Å; Y120-Y151 HydrophobicContact CD2-CD2 3.94Å; Y120-Y151 AromaticContact CD2-CE2 3.42Å; Y120-Y151 HydrophobicContact CD2-CE2 3.42Å; Y120-Y151 VanDerWaalsContact CD2-CE2 3.42Å; Y120-Y151 HydrophobicContact CE2-CE2 4.08Å; Y120-Y151 HydrophobicContact CG-CD2 4.23Å; Y120-Y151 HydrophobicContact CG-CE1 4.32Å; Y120-Y151 AromaticContact CG-CE2 3.53Å; Y120-Y151 HydrophobicContact CG-CE2 3.53Å; Y120-Y151 AromaticContact CG-CZ 3.59Å; Y120-Y151 PolarHBondContact N-O 3.23Å; Y120-Y151 PolarHBondContact O-N 3.46Å; Y120-K153 HydrophobicContact CE2-CB 3.84Å
121H96Very high92.3Very high31 Ų3165.1 Ų65.114%0.14435%0.352CS..EExtended strand (participates in β ladder)trans-127.2122.4171.8175.2-137.3000108.9G123 T124 L126 E145 S147 E149 Y150H121-G123 PolarHBondContact O-N 2.68Å; H121-G123 VanDerWaalsContact O-N 3.17Å; H121-T124 PolarHBondContact N-O 3.33Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3.13Å; H121-L126 HydrophobicContact CB-CD1 4.47Å; H121-L126 HydrophobicContact CB-CD2 3.82Å; H121-L126 HydrophobicContact CB-CG 4.28Å; H121-E145 PolarHBondContact CE1-O 2.8Å; H121-S147 PolarHBondContact NE2-O 3.33Å; H121-S147 VanDerWaalsContact NE2-O 3.07Å; H121-E149 CarbonylContact C-O 3.57Å; H121-E149 VanDerWaalsContact CA-O 3.29Å; H121-E149 WeakPolarHBondContact CA-O 3.43Å; H121-E149 PolarHBondContact CD2-O 3.32Å; H121-Y150 HydrophobicContact CB-CD1 3.99Å; H121-Y150 HydrophobicContact CB-CE1 3.62Å; H121-Y150 AromaticContact CD2-CD2 3.93Å; H121-Y150 AromaticContact CD2-CE1 3.76Å; H121-Y150 AromaticContact CD2-CE2 3.37Å; H121-Y150 WeakPolarHBondContact CD2-CE2 3.19Å; H121-Y150 AromaticContact CD2-CZ 3.27Å; H121-Y150 PolarHBondContact CD2-OH 2.04Å; H121-Y150 AromaticContact CG-CE1 3.77Å; H121-Y150 AromaticContact CG-CZ 3.63Å; H121-Y150 AromaticContact NE2-CE2 3.81Å; H121-Y150 AromaticContact NE2-CZ 3.78Å
122N92.4Very high92.5Very high93 Ų9372.4 Ų72.450%0.49738%0.38SS..THydrogen-bonded Turntrans46.445.4-175.3-61.9-31.5000112.3T124 E149N122-T124 VanDerWaalsContact C-N 3.25Å; N122-T124 PolarHBondContact O-N 3.05Å; N122-E149 PolarHBondContact N-O 2.91Å; N122-E149 PolarHBondContact OD1-N 3.46Å
123G90.6Very high92.7Very high45 Ų4570.9 Ų70.946%0.46437%0.369SS..THydrogen-bonded Turntrans76-8-176.500000116.7H121H121-G123 PolarHBondContact O-N 2.68Å; H121-G123 VanDerWaalsContact O-N 3.17Å
124T95Very high92.8Very high97 Ų9768.7 Ų68.760%0.59535%0.354SS*.EExtended strand (participates in β ladder)trans-92.4130.5-179.2-55.10000111.5Y120 H121 N122 L126Y120-T124 CarbonylContact C-O 3.58Å; Y120-T124 WeakPolarHBondContact CA-O 3.09Å; H121-T124 PolarHBondContact N-O 3.33Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3.13Å; N122-T124 VanDerWaalsContact C-N 3.25Å; N122-T124 PolarHBondContact O-N 3.05Å; T124-L126 PolarHBondContact O-N 2.97Å
125L95.8Very high92.9Very high90 Ų9070.9 Ų70.947%0.47137%0.365SS..EExtended strand (participates in β ladder)trans-66.3127.2176.8177.564.4000111.2Y118 Y120Y118-L125 HydrophobicContact CD1-CD1 4.34Å; Y120-L125 HydrophobicContact CD1-CB 4.07Å; Y120-L125 HydrophobicContact CD2-CD1 4.49Å; Y120-L125 HydrophobicContact CE1-CB 3.81Å; Y120-L125 HydrophobicContact CE1-CD1 4.16Å; Y120-L125 HydrophobicContact CE2-CD1 4.06Å
126L95.9Very high93.2Very high15 Ų1568.6 Ų68.68%0.07935%0.353CS..PPolyproline II helixtrans-79.6137.2174.8-62.1178.5000111.2W119 H121 T124 K128 Y131 Y133 L137 Y150W119-L126 HydrophobicContact CB-CD1 4.14Å; W119-L126 WeakPolarHBondContact O-CB 3.07Å; W119-L126 PolarHBondContact O-N 3.06Å; H121-L126 HydrophobicContact CB-CD1 4.47Å; H121-L126 HydrophobicContact CB-CD2 3.82Å; H121-L126 HydrophobicContact CB-CG 4.28Å; T124-L126 PolarHBondContact O-N 2.97Å; L126-K128 PolarHBondContact O-N 3.02Å; L126-Y131 HydrophobicContact CB-CD2 3.99Å; L126-Y131 HydrophobicContact CB-CE2 4.29Å; L126-Y131 HydrophobicContact CD2-CD2 4.45Å; L126-Y131 HydrophobicContact CD2-CE2 3.93Å; L126-Y133 HydrophobicContact CB-CE1 3.85Å; L126-Y133 WeakPolarHBondContact O-CE1 3.45Å; L126-Y133 PolarHBondContact O-OH 3.15Å; L126-L137 HydrophobicContact CD1-CD1 4.29Å; L126-L137 HydrophobicContact CD1-CD2 3.78Å; L126-Y150 HydrophobicContact CD1-CD1 4.39Å; L126-Y150 HydrophobicContact CD1-CE1 4.09Å
127D94.1Very high93.5Very high79 Ų7964.4 Ų64.442%0.42233%0.334SS..PPolyproline II helixtrans-66.4119.8175.1171.333.7000111.7N129 M130 Y131D127-N129 VanDerWaalsContact C-N 3.25Å; D127-N129 PolarHBondContact O-N 2.04Å; D127-N129 WeakPolarHBondContact OD1-CB 3.39Å; D127-N129 PolarHBondContact OD1-N 3.05Å; D127-N129 PolarHBondContact OD1-ND2 3.42Å; D127-M130 HydrophobicContact CB-CB 4.12Å; D127-M130 PolarHBondContact O-N 3.45Å; D127-M130 VanDerWaalsContact OD2-CB 3.31Å; D127-M130 WeakPolarHBondContact OD2-CB 2.98Å; D127-M130 PolarHBondContact OD2-N 3.32Å; D127-Y131 WeakPolarHBondContact O-CD2 3.44Å; D127-Y131 PolarHBondContact O-N 2.02Å
128K92.4Very high93.5Very high86 Ų8665.6 Ų65.637%0.37434%0.344SS..Hα-helixtrans-66.1-24.9179.1-164.1164.5-171.5160.80112.9Y117 L126 K132 Y133Y117-K128 PolarHBondContact O-NZ 2.78Å; L126-K128 PolarHBondContact O-N 3.02Å; K128-K132 WeakPolarHBondContact O-CA 3.03Å; K128-K132 PolarHBondContact O-N 2.88Å; K128-Y133 HydrophobicContact CB-CE1 4.16Å; K128-Y133 HydrophobicContact CB-CE2 4.06Å; K128-Y133 HydrophobicContact CD-CD2 4.24Å; K128-Y133 HydrophobicContact CD-CE2 3.75Å; K128-Y133 VanDerWaalsContact CE-O 3.23Å; K128-Y133 WeakPolarHBondContact CE-O 3.02Å; K128-Y133 HydrophobicContact CG-CD2 4.06Å; K128-Y133 HydrophobicContact CG-CE1 4.45Å; K128-Y133 HydrophobicContact CG-CE2 3.75Å
129N90.7Very high93.3Very high130 Ų13061.6 Ų61.670%0.69533%0.328SS*.Hα-helixtrans-75.7-42.6177.5-56.3-69.4000111.9D127 K132D127-N129 VanDerWaalsContact C-N 3.25Å; D127-N129 PolarHBondContact O-N 2.04Å; D127-N129 WeakPolarHBondContact OD1-CB 3.39Å; D127-N129 PolarHBondContact OD1-N 3.05Å; D127-N129 PolarHBondContact OD1-ND2 3.42Å; N129-K132 WeakPolarHBondContact O-CE 3Å; N129-K132 VanDerWaalsContact O-CG 3.32Å; N129-K132 WeakPolarHBondContact O-CG 3.36Å
130M90.6Very high93.1Very high133 Ų13369.9 Ų69.966%0.65536%0.359SS*.Hα-helixtrans-65.5-53.9174-178.9177.1179.300112.1D127D127-M130 HydrophobicContact CB-CB 4.12Å; D127-M130 PolarHBondContact O-N 3.45Å; D127-M130 VanDerWaalsContact OD2-CB 3.31Å; D127-M130 WeakPolarHBondContact OD2-CB 2.98Å; D127-M130 PolarHBondContact OD2-N 3.32Å
131Y90.8Very high92.8Very high58 Ų5872.6 Ų72.623%0.22738%0.377CS..Hα-helixtrans-88.5-17.7-171.8-72.9-85.5000114.5L126 D127 Y133 L137 L139L126-Y131 HydrophobicContact CB-CD2 3.99Å; L126-Y131 HydrophobicContact CB-CE2 4.29Å; L126-Y131 HydrophobicContact CD2-CD2 4.45Å; L126-Y131 HydrophobicContact CD2-CE2 3.93Å; D127-Y131 WeakPolarHBondContact O-CD2 3.44Å; D127-Y131 PolarHBondContact O-N 2.02Å; Y131-Y133 PolarHBondContact O-N 2.03Å; Y131-Y133 VanDerWaalsContact O-N 3.13Å; Y131-L137 HydrophobicContact CD1-CD1 4.22Å; Y131-L137 HydrophobicContact CG-CD1 4.47Å; Y131-L139 HydrophobicContact CD1-CD2 3.92Å; Y131-L139 HydrophobicContact CE1-CD2 3.71Å
132K91.8Very high92.6Very high179 Ų17971.2 Ų71.278%0.77837%0.37SS*.  trans5332.8176-56.8-177.7-177.8177.20114.3K128 N129K128-K132 WeakPolarHBondContact O-CA 3.03Å; K128-K132 PolarHBondContact O-N 2.88Å; N129-K132 WeakPolarHBondContact O-CE 3Å; N129-K132 VanDerWaalsContact O-CG 3.32Å; N129-K132 WeakPolarHBondContact O-CG 3.36Å
133Y92.8Very high92.7Very high14 Ų1471.9 Ų71.96%0.05537%0.369CS..  trans-73.1153.5-179.357.8-109.6000112.8W119 L126 K128 Y131 D136 L137W119-Y133 HydrophobicContact CB-CD1 4.21Å; W119-Y133 HydrophobicContact CB-CE1 4.15Å; W119-Y133 HydrophobicContact CB-CE2 4.47Å; W119-Y133 HydrophobicContact CB-CG 4.4Å; W119-Y133 AromaticContact CD1-CD2 3.57Å; W119-Y133 AromaticContact CD1-CG 3.69Å; W119-Y133 HydrophobicContact CG-CD2 4.43Å; W119-Y133 HydrophobicContact CG-CG 4.35Å; L126-Y133 HydrophobicContact CB-CE1 3.85Å; L126-Y133 WeakPolarHBondContact O-CE1 3.45Å; L126-Y133 PolarHBondContact O-OH 3.15Å; K128-Y133 HydrophobicContact CB-CE1 4.16Å; K128-Y133 HydrophobicContact CB-CE2 4.06Å; K128-Y133 HydrophobicContact CD-CD2 4.24Å; K128-Y133 HydrophobicContact CD-CE2 3.75Å; K128-Y133 VanDerWaalsContact CE-O 3.23Å; K128-Y133 WeakPolarHBondContact CE-O 3.02Å; K128-Y133 HydrophobicContact CG-CD2 4.06Å; K128-Y133 HydrophobicContact CG-CE1 4.45Å; K128-Y133 HydrophobicContact CG-CE2 3.75Å; Y131-Y133 PolarHBondContact O-N 2.03Å; Y131-Y133 VanDerWaalsContact O-N 3.13Å; Y133-D136 WeakPolarHBondContact CA-O 3.25Å; Y133-D136 WeakPolarHBondContact CB-O 3.38Å; Y133-L137 HydrophobicContact CD1-CD1 4.09Å; Y133-L137 HydrophobicContact CG-CD1 4.46Å
134G91.6Very high92.8Very high33 Ų3373.5 Ų73.534%0.3437%0.367SS..SBendtrans-113.2-130.4166.600000109.6Y117 W119 D136Y117-G134 VanDerWaalsContact CB-O 3.23Å; Y117-G134 WeakPolarHBondContact CB-O 3.43Å; W119-G134 PolarHBondContact NE1-O 2.7Å; G134-D136 PolarHBondContact N-O 3.41Å; G134-D136 PolarHBondContact O-N 2.83Å
135N91.8Very high92.8Very high61 Ų6175.8 Ų75.833%0.32637%0.371SS..SBendtrans-61.3-30.3160.671.5-69.9000111.2C106 Y117 W119C106-N135 WeakPolarHBondContact CB-O 3.34Å; C106-N135 PolarHBondContact N-O 3Å; C106-N135 VanDerWaalsContact N-O 3.16Å; C106-N135 WeakPolarHBondContact O-CB 3.32Å; C106-N135 PolarHBondContact O-ND2 2.84Å; C106-N135 VanDerWaalsContact O-ND2 3.12Å; Y117-N135 HydrophobicContact CD1-CB 3.98Å; Y117-N135 HydrophobicContact CD2-CB 3.97Å; Y117-N135 HydrophobicContact CE1-CB 3.88Å; Y117-N135 HydrophobicContact CE2-CB 3.9Å; Y117-N135 HydrophobicContact CG-CB 4.02Å; W119-N135 VanDerWaalsContact CZ2-O 3.32Å; W119-N135 WeakPolarHBondContact CZ2-O 3.46Å; W119-N135 PolarHBondContact NE1-O 3.32Å
136D93.1Very high92.7Very high54 Ų5473 Ų7329%0.28936%0.355SS..EExtended strand (participates in β ladder)trans-106.2147.1176.6-58.3-40.9000112.4L103 C105 C106 Y133 G134L103-D136 HydrophobicContact CD1-CB 3.96Å; C105-D136 WeakPolarHBondContact CA-OD1 3.3Å; C105-D136 WeakPolarHBondContact CB-OD1 3.49Å; C105-D136 PolarHBondContact SG-OD1 2.56Å; C105-D136 VanDerWaalsContact SG-OD1 3.32Å; C106-D136 PolarHBondContact N-OD1 2.94Å; Y133-D136 WeakPolarHBondContact CA-O 3.25Å; Y133-D136 WeakPolarHBondContact CB-O 3.38Å; G134-D136 PolarHBondContact N-O 3.41Å; G134-D136 PolarHBondContact O-N 2.83Å
137L94.9Very high92.6Very high0 Ų074 Ų740%036%0.364CS..EExtended strand (participates in β ladder)trans-116.3123.6178.3171.964.7000110.3L104 W119 L126 Y131 Y133 L139 Y150L104-L137 HydrophobicContact CB-CB 4.46Å; L104-L137 HydrophobicContact CD1-CD2 4.41Å; L104-L137 PolarHBondContact N-O 3.39Å; L104-L137 PolarHBondContact O-N 2.91Å; W119-L137 HydrophobicContact CB-CD2 4.14Å; W119-L137 HydrophobicContact CD2-CB 3.68Å; W119-L137 HydrophobicContact CD2-CD2 3.87Å; W119-L137 HydrophobicContact CD2-CG 4.39Å; W119-L137 HydrophobicContact CE3-CB 4.17Å; W119-L137 HydrophobicContact CE3-CD2 3.77Å; W119-L137 HydrophobicContact CG-CB 3.98Å; W119-L137 HydrophobicContact CG-CD2 4.06Å; W119-L137 HydrophobicContact CG-CG 4.5Å; W119-L137 HydrophobicContact CH2-CB 4.45Å; W119-L137 HydrophobicContact CZ2-CB 3.99Å; W119-L137 HydrophobicContact CZ3-CD2 4.44Å; L126-L137 HydrophobicContact CD1-CD1 4.29Å; L126-L137 HydrophobicContact CD1-CD2 3.78Å; Y131-L137 HydrophobicContact CD1-CD1 4.22Å; Y131-L137 HydrophobicContact CG-CD1 4.47Å; Y133-L137 HydrophobicContact CD1-CD1 4.09Å; Y133-L137 HydrophobicContact CG-CD1 4.46Å; L137-L139 HydrophobicContact CD1-CD2 4.25Å; L137-L139 HydrophobicContact CD2-CD2 4.49Å; L137-L139 HydrophobicContact CG-CD2 4.34Å; L137-L139 HydrophobicContact CG-CG 4.37Å; L137-Y150 HydrophobicContact CD2-CD1 3.87Å; L137-Y150 HydrophobicContact CD2-CE1 4.12Å
138V93.9Very high92.6Very high47 Ų4770.7 Ų70.729%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-109.3113.5179.5174.70000110.1L103 R140 M221L103-V138 HydrophobicContact CD1-CG2 3.95Å; V138-R140 HydrophobicContact CG1-CG 3.87Å; V138-M221 HydrophobicContact CB-CE 4.44Å; V138-M221 HydrophobicContact CG1-CE 3.75Å; V138-M221 HydrophobicContact CG2-CE 3.91Å
139L92.9Very high92.7Very high2 Ų270.4 Ų70.41%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-99.9136172.4-58.3174000109.6R101 A102 Y131 L137 L142 Y150 L168R101-L139 WeakPolarHBondContact CA-O 3.24Å; A102-L139 HydrophobicContact CB-CB 4.4Å; A102-L139 PolarHBondContact N-O 3.29Å; A102-L139 PolarHBondContact O-N 2.86Å; Y131-L139 HydrophobicContact CD1-CD2 3.92Å; Y131-L139 HydrophobicContact CE1-CD2 3.71Å; L137-L139 HydrophobicContact CD1-CD2 4.25Å; L137-L139 HydrophobicContact CD2-CD2 4.49Å; L137-L139 HydrophobicContact CG-CD2 4.34Å; L137-L139 HydrophobicContact CG-CG 4.37Å; L139-L142 HydrophobicContact CB-CD2 3.68Å; L139-L142 HydrophobicContact CD1-CD2 4.23Å; L139-Y150 HydrophobicContact CD1-CE1 4.04Å; L139-Y150 HydrophobicContact CD1-CE2 4.38Å; L139-L168 HydrophobicContact CD1-CD2 3.54Å
140R91.2Very high92.9Very high175 Ų17564.2 Ų64.266%0.6632%0.315SS*.EExtended strand (participates in β ladder)trans-137.8150.7-177.1-53.4-177.7-177.8-139.4-0.5109.4R101 V138 L142R101-R140 HydrophobicContact CG-CB 4.5Å; V138-R140 HydrophobicContact CG1-CG 3.87Å; R140-L142 VanDerWaalsContact C-N 3.35Å
141D90.6Very high93.1Very high103 Ų10359.6 Ų59.655%0.55129%0.29SS*.SBendtrans5653.2-176.2-166.842.3000110.2G100 K143G100-D141 PolarHBondContact O-N 3.13Å; G100-D141 VanDerWaalsContact O-N 3.12Å; D141-K143 WeakPolarHBondContact O-CG 3.23Å; D141-K143 PolarHBondContact O-N 3.28Å
142L92.7Very high93.3Very high1 Ų156.9 Ų56.91%0.00528%0.279CS..  trans-57.4131.4-169.6-79.6174.8000112R96 E98 G99 G100 A102 L139 R140 L168 V170R96-L142 HydrophobicContact CB-CD1 3.56Å; R96-L142 HydrophobicContact CG-CD1 3.83Å; E98-L142 CarbonylContact C-O 3.53Å; E98-L142 VanDerWaalsContact CA-O 3.3Å; E98-L142 WeakPolarHBondContact CA-O 3.19Å; G99-L142 PolarHBondContact N-O 3.46Å; G100-L142 WeakPolarHBondContact O-CG 3.38Å; G100-L142 PolarHBondContact O-N 2.87Å; G100-L142 VanDerWaalsContact O-N 3.1Å; A102-L142 HydrophobicContact CB-CD1 4.12Å; L139-L142 HydrophobicContact CB-CD2 3.68Å; L139-L142 HydrophobicContact CD1-CD2 4.23Å; R140-L142 VanDerWaalsContact C-N 3.35Å; L142-L168 HydrophobicContact CD2-CD2 4.02Å; L142-V170 HydrophobicContact CB-CG1 4.29Å; L142-V170 HydrophobicContact CB-CG2 4.46Å
143K94.3Very high93.5Very high108 Ų10850.2 Ų50.247%0.4725%0.25SS..  trans-114.7159177.8-49.5-168.7177.5-172.70111.9D141 E145 Q146D141-K143 WeakPolarHBondContact O-CG 3.23Å; D141-K143 PolarHBondContact O-N 3.28Å; K143-E145 WeakPolarHBondContact CB-OE2 3.42Å; K143-E145 PolarHBondContact O-N 3.38Å; K143-Q146 WeakPolarHBondContact O-CB 3.32Å; K143-Q146 PolarHBondContact O-N 3.45Å
144L92.9Very high93.5Very high78 Ų7849.5 Ų49.541%0.40825%0.248SC..G310 helixtrans-59.2-33.3-178.5-63.5173000112.6Q146 S147 V170 A172L144-Q146 PolarHBondContact O-N 2.9Å; L144-S147 VanDerWaalsContact O-CB 3.26Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 2.92Å; L144-S147 VanDerWaalsContact O-N 3.12Å; L144-V170 HydrophobicContact CD2-CG1 4.23Å; L144-A172 HydrophobicContact CD1-CB 4.29Å; L144-A172 HydrophobicContact CD2-CB 4.15Å
145E93.8Very high93.6Very high146 Ų14649 Ų4968%0.68224%0.239SC*.G310 helixtrans-71.8-12.6178-46.983.6174.200113.4H121 K143 S147H121-E145 PolarHBondContact CE1-O 2.8Å; K143-E145 WeakPolarHBondContact CB-OE2 3.42Å; K143-E145 PolarHBondContact O-N 3.38Å; E145-S147 VanDerWaalsContact C-N 3.29Å
146Q93.8Very high93.5Very high31 Ų3147 Ų4715%0.14523%0.228CC..G310 helixtrans-87.72.7172.7-62.4176.6-43.500112.4K143 L144 Y150K143-Q146 WeakPolarHBondContact O-CB 3.32Å; K143-Q146 PolarHBondContact O-N 3.45Å; L144-Q146 PolarHBondContact O-N 2.9Å; Q146-Y150 WeakPolarHBondContact O-CE2 3.38Å; Q146-Y150 PolarHBondContact O-OH 2.87Å; Q146-Y150 VanDerWaalsContact O-OH 3.11Å
147S94.4Very high93Very high37 Ų3748.2 Ų48.226%0.25925%0.246SC..  trans-66.4150.9166.5-159.80000110.6H121 L144 E145 L168H121-S147 PolarHBondContact NE2-O 3.33Å; H121-S147 VanDerWaalsContact NE2-O 3.07Å; L144-S147 VanDerWaalsContact O-CB 3.26Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 2.92Å; L144-S147 VanDerWaalsContact O-N 3.12Å; E145-S147 VanDerWaalsContact C-N 3.29Å; S147-L168 CarbonylContact C-O 3.56Å; S147-L168 VanDerWaalsContact CA-O 3.32Å; S147-L168 WeakPolarHBondContact CA-O 3.34Å; S147-L168 PolarHBondContact OG-O 3.21Å; S147-L168 VanDerWaalsContact OG-O 3.05Å
148G93.6Very high92.5Very high8 Ų849.5 Ų49.58%0.08226%0.256CS..EExtended strand (participates in β ladder)trans127.3-158.1176.100000113.9L168G148-L168 PolarHBondContact N-O 2.82Å; G148-L168 PolarHBondContact O-N 3.14Å
149E93.5Very high92.2Very high80 Ų8047.6 Ų47.637%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-91.2133.8-170.5-164.7-174.38400112.5H121 N122 P165H121-E149 CarbonylContact C-O 3.57Å; H121-E149 VanDerWaalsContact CA-O 3.29Å; H121-E149 WeakPolarHBondContact CA-O 3.43Å; H121-E149 PolarHBondContact CD2-O 3.32Å; N122-E149 PolarHBondContact N-O 2.91Å; N122-E149 PolarHBondContact OD1-N 3.46Å; E149-P165 HydrophobicContact CG-CB 3.33Å; E149-P165 HydrophobicContact CG-CG 4.39Å; E149-P165 WeakPolarHBondContact OE2-CB 3.22Å
150Y95.6Very high92.2Very high1 Ų147.7 Ų47.70%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-127.1136.3173.8-71.2-95.6000111.9L104 Y120 H121 L126 L137 L139 Q146 A166 L168L104-Y150 HydrophobicContact CD1-CD1 3.98Å; L104-Y150 HydrophobicContact CD1-CD2 3.96Å; L104-Y150 HydrophobicContact CD1-CG 3.56Å; Y120-Y150 WeakPolarHBondContact O-CA 3.21Å; H121-Y150 HydrophobicContact CB-CD1 3.99Å; H121-Y150 HydrophobicContact CB-CE1 3.62Å; H121-Y150 AromaticContact CD2-CD2 3.93Å; H121-Y150 AromaticContact CD2-CE1 3.76Å; H121-Y150 AromaticContact CD2-CE2 3.37Å; H121-Y150 WeakPolarHBondContact CD2-CE2 3.19Å; H121-Y150 AromaticContact CD2-CZ 3.27Å; H121-Y150 PolarHBondContact CD2-OH 2.04Å; H121-Y150 AromaticContact CG-CE1 3.77Å; H121-Y150 AromaticContact CG-CZ 3.63Å; H121-Y150 AromaticContact NE2-CE2 3.81Å; H121-Y150 AromaticContact NE2-CZ 3.78Å; L126-Y150 HydrophobicContact CD1-CD1 4.39Å; L126-Y150 HydrophobicContact CD1-CE1 4.09Å; L137-Y150 HydrophobicContact CD2-CD1 3.87Å; L137-Y150 HydrophobicContact CD2-CE1 4.12Å; L139-Y150 HydrophobicContact CD1-CE1 4.04Å; L139-Y150 HydrophobicContact CD1-CE2 4.38Å; Q146-Y150 WeakPolarHBondContact O-CE2 3.38Å; Q146-Y150 PolarHBondContact O-OH 2.87Å; Q146-Y150 VanDerWaalsContact O-OH 3.11Å; Y150-A166 PolarHBondContact N-O 3.17Å; Y150-A166 PolarHBondContact O-N 2.97Å; Y150-L168 HydrophobicContact CD2-CB 3.89Å; Y150-L168 HydrophobicContact CE2-CB 3.78Å; Y150-L168 HydrophobicContact CE2-CD2 3.82Å; Y150-L168 HydrophobicContact CE2-CG 4.41Å
151Y94.9Very high92.2Very high36 Ų3640 Ų4014%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-143.2159.517166.9-97.1000111.6Y120 K162Y120-Y151 HydrophobicContact CD1-CE2 4.24Å; Y120-Y151 AromaticContact CD2-CD2 3.94Å; Y120-Y151 HydrophobicContact CD2-CD2 3.94Å; Y120-Y151 AromaticContact CD2-CE2 3.42Å; Y120-Y151 HydrophobicContact CD2-CE2 3.42Å; Y120-Y151 VanDerWaalsContact CD2-CE2 3.42Å; Y120-Y151 HydrophobicContact CE2-CE2 4.08Å; Y120-Y151 HydrophobicContact CG-CD2 4.23Å; Y120-Y151 HydrophobicContact CG-CE1 4.32Å; Y120-Y151 AromaticContact CG-CE2 3.53Å; Y120-Y151 HydrophobicContact CG-CE2 3.53Å; Y120-Y151 AromaticContact CG-CZ 3.59Å; Y120-Y151 PolarHBondContact N-O 3.23Å; Y120-Y151 PolarHBondContact O-N 3.46Å; Y151-K162 HydrophobicContact CE2-CD 4.16Å
152C95.2Very high92.3Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-103.3151170.566.30000111.1C106 Y118 W119 K162 S163C106-C152 HydrophobicContact CB-CB 3.57Å; C106-C152 WeakPolarHBondContact CB-SG 3.19Å; C106-C152 WeakPolarHBondContact SG-CB 3.48Å; C106-C152 CovalentContact SG-SG 2.03Å; C106-C152 PolarHBondContact SG-SG 2.89Å; Y118-C152 CarbonylContact O-C 3.59Å; Y118-C152 VanDerWaalsContact O-CA 3.27Å; Y118-C152 WeakPolarHBondContact O-CA 3.29Å; W119-C152 HydrophobicContact CD2-CB 4.1Å; W119-C152 HydrophobicContact CE3-CB 4.32Å; W119-C152 HydrophobicContact CH2-CB 4.45Å; W119-C152 HydrophobicContact CZ2-CB 4.24Å; W119-C152 HydrophobicContact CZ3-CB 4.48Å; C152-K162 CarbonylContact O-C 3.59Å; C152-K162 VanDerWaalsContact O-CA 3.3Å; C152-K162 WeakPolarHBondContact O-CA 3.42Å; C152-S163 PolarHBondContact N-OG 2.85Å; C152-S163 VanDerWaalsContact N-OG 3.1Å; C152-S163 PolarHBondContact O-N 2.83Å; C152-S163 WeakPolarHBondContact SG-CB 3.08Å; C152-S163 PolarHBondContact SG-OG 3.15Å
153K95.1Very high92.2Very high39 Ų3937.9 Ų37.917%0.1721%0.206CC..EExtended strand (participates in β ladder)trans-115139.7157.9-179.6173.7170.8161.60108.4Y118 Y120 S160 I161 K162 E424Y118-K153 PolarHBondContact N-O 2.75Å; Y118-K153 PolarHBondContact O-N 3.16Å; Y120-K153 HydrophobicContact CE2-CB 3.84Å; K153-S160 VanDerWaalsContact CE-CB 3.5Å; K153-S160 WeakPolarHBondContact CE-OG 3.49Å; K153-S160 PolarHBondContact NZ-OG 3.24Å; K153-I161 CarbonylContact C-O 3.56Å; K153-I161 WeakPolarHBondContact CA-O 3.26Å; K153-K162 HydrophobicContact CB-CG 4.17Å; K153-K162 HydrophobicContact CD-CG 4.45Å; K153-K162 HydrophobicContact CG-CG 4.19Å; K153-E424 WeakPolarHBondContact CE-O 3.2Å; K153-E424 PolarHBondContact NZ-O 3Å
154T94.5Very high91.8Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-137.5151.4174-168.20000112.3P85 I87 A108 P114 K116 Y117 S160 I161P85-T154 HydrophobicContact CB-CG2 4.48Å; I87-T154 HydrophobicContact CD1-CG2 4.08Å; A108-T154 HydrophobicContact CB-CG2 3.6Å; P114-T154 HydrophobicContact CB-CG2 4.33Å; P114-T154 WeakPolarHBondContact CB-OG1 3.05Å; K116-T154 VanDerWaalsContact O-CA 3.29Å; K116-T154 WeakPolarHBondContact O-CA 3.28Å; K116-T154 PolarHBondContact O-OG1 2.91Å; Y117-T154 HydrophobicContact CD1-CG2 4.35Å; Y117-T154 HydrophobicContact CE1-CG2 3.92Å; Y117-T154 WeakPolarHBondContact CE1-OG1 3.45Å; T154-S160 CarbonylContact O-C 3.57Å; T154-S160 VanDerWaalsContact O-CA 3.27Å; T154-S160 WeakPolarHBondContact O-CA 3.29Å; T154-S160 WeakPolarHBondContact O-CB 3.44Å; T154-I161 HydrophobicContact CG2-CG2 3.63Å; T154-I161 PolarHBondContact N-O 3.17Å; T154-I161 PolarHBondContact O-N 3.36Å
155S92.5Very high91.6Very high23 Ų2333 Ų3316%0.16119%0.191CC..EExtended strand (participates in β ladder)trans-140.2155.7-178.763.90000113.9P114 D115 K116 G159P114-S155 WeakPolarHBondContact CA-O 3.05Å; D115-S155 PolarHBondContact N-O 3.06Å; K116-S155 PolarHBondContact O-N 3.44Å; S155-G159 WeakPolarHBondContact CA-O 3.42Å; S155-G159 WeakPolarHBondContact CB-O 3.49Å
156N89.7Confident91.4Very high17 Ų1726.1 Ų26.19%0.09116%0.159CC..  trans-126.6-156.3167.771.5-0.1000109.4E83 P85 P112 P114 A158 G159E83-N156 PolarHBondContact O-ND2 3.23Å; P85-N156 WeakPolarHBondContact CD-OD1 3.01Å; P85-N156 HydrophobicContact CG-CB 4.1Å; P85-N156 WeakPolarHBondContact CG-OD1 3.14Å; P112-N156 VanDerWaalsContact O-CB 3.28Å; P112-N156 WeakPolarHBondContact O-CB 3.27Å; P112-N156 PolarHBondContact O-ND2 3.45Å; P114-N156 HydrophobicContact CG-CB 4.44Å; N156-A158 WeakPolarHBondContact OD1-CA 3.41Å; N156-A158 WeakPolarHBondContact OD1-CB 3.12Å; N156-A158 PolarHBondContact OD1-N 2.93Å; N156-G159 PolarHBondContact N-O 2.98Å; N156-G159 VanDerWaalsContact N-O 3.07Å; N156-G159 PolarHBondContact OD1-N 2.02Å; N156-G159 VanDerWaalsContact OD1-N 3.13Å; N156-G159 PolarHBondContact OD1-O 3.28Å
157A83.7Confident91.2Very high80 Ų8028.8 Ų28.866%0.66117%0.171SC*.SBendtrans-83.4-8.4177.100000114.7P112P112-A157 HydrophobicContact CG-CB 4.36Å
158A83.6Confident91.1Very high27 Ų2727 Ų2722%0.22316%0.159CC..SBendtrans-104-16.8-176.900000113.7A82 K84 N156A82-A158 HydrophobicContact CB-CB 3.98Å; K84-A158 WeakPolarHBondContact CE-O 3.43Å; K84-A158 WeakPolarHBondContact CG-O 3.29Å; N156-A158 WeakPolarHBondContact OD1-CA 3.41Å; N156-A158 WeakPolarHBondContact OD1-CB 3.12Å; N156-A158 PolarHBondContact OD1-N 2.93Å
159G88.1Confident90.9Very high8 Ų829 Ų298%0.08217%0.169CC..  trans162.5-159.6177.300000112.6S155 N156S155-G159 WeakPolarHBondContact CA-O 3.42Å; S155-G159 WeakPolarHBondContact CB-O 3.49Å; N156-G159 PolarHBondContact N-O 2.98Å; N156-G159 VanDerWaalsContact N-O 3.07Å; N156-G159 PolarHBondContact OD1-N 2.02Å; N156-G159 VanDerWaalsContact OD1-N 3.13Å; N156-G159 PolarHBondContact OD1-O 3.28Å
160S91.6Very high90.8Very high4 Ų425.7 Ų25.73%0.02816%0.155CC..EExtended strand (participates in β ladder)trans-140168.2175.480.70000112.7K153 T154 V421 E423 G425K153-S160 VanDerWaalsContact CE-CB 3.5Å; K153-S160 WeakPolarHBondContact CE-OG 3.49Å; K153-S160 PolarHBondContact NZ-OG 3.24Å; T154-S160 CarbonylContact O-C 3.57Å; T154-S160 VanDerWaalsContact O-CA 3.27Å; T154-S160 WeakPolarHBondContact O-CA 3.29Å; T154-S160 WeakPolarHBondContact O-CB 3.44Å; S160-V421 VanDerWaalsContact O-CG1 3.3Å; S160-V421 WeakPolarHBondContact O-CG1 3.01Å; S160-E423 PolarHBondContact OG-O 3.08Å; S160-G425 WeakPolarHBondContact O-CA 3.39Å; S160-G425 WeakPolarHBondContact OG-CA 3.18Å; S160-G425 PolarHBondContact OG-N 3.27Å
161I91.9Very high90.6Very high12 Ų1227 Ų276%0.06216%0.161CC..EExtended strand (participates in β ladder)trans-149.2149.1178.4-168.760.8000110.5P85 I87 K153 T154 V421P85-I161 HydrophobicContact CB-CB 4.25Å; P85-I161 HydrophobicContact CB-CG2 3.6Å; P85-I161 WeakPolarHBondContact O-CB 3.08Å; I87-I161 HydrophobicContact CD1-CG2 3.76Å; I87-I161 HydrophobicContact CG1-CG1 3.9Å; I87-I161 HydrophobicContact CG1-CG2 3.83Å; K153-I161 CarbonylContact C-O 3.56Å; K153-I161 WeakPolarHBondContact CA-O 3.26Å; T154-I161 HydrophobicContact CG2-CG2 3.63Å; T154-I161 PolarHBondContact N-O 3.17Å; T154-I161 PolarHBondContact O-N 3.36Å; I161-V421 HydrophobicContact CD1-CB 4.44Å; I161-V421 HydrophobicContact CD1-CG1 3.8Å; I161-V421 HydrophobicContact CD1-CG2 3.73Å
162K92.4Very high90.3Very high52 Ų5226.9 Ų26.923%0.22617%0.168CC..EExtended strand (participates in β ladder)trans-104.9146.8168.1-60.3176.7-164.11730111Y151 C152 K153 E424 G425 D426Y151-K162 HydrophobicContact CE2-CD 4.16Å; C152-K162 CarbonylContact O-C 3.59Å; C152-K162 VanDerWaalsContact O-CA 3.3Å; C152-K162 WeakPolarHBondContact O-CA 3.42Å; K153-K162 HydrophobicContact CB-CG 4.17Å; K153-K162 HydrophobicContact CD-CG 4.45Å; K153-K162 HydrophobicContact CG-CG 4.19Å; K162-E424 VanDerWaalsContact CE-O 3.27Å; K162-E424 WeakPolarHBondContact CE-O 3.1Å; K162-G425 WeakPolarHBondContact CG-O 3.32Å; K162-G425 PolarHBondContact N-O 2.86Å; K162-D426 WeakPolarHBondContact CD-OD1 3.46Å; K162-D426 WeakPolarHBondContact CE-OD1 3.39Å; K162-D426 WeakPolarHBondContact CE-OD2 3.43Å; K162-D426 IonicContact NZ-OD1 3.99Å; K162-D426 PolarHBondContact NZ-OD1 2.83Å; K162-D426 IonicContact NZ-OD2 2.81Å; K162-D426 PolarHBondContact NZ-OD2 2.9Å
163S91.1Very high89.7Confident9 Ų933 Ų336%0.06320%0.201CC..PPolyproline II helixtrans-72.3156.1164.2710000110.7P91 C152P91-S163 WeakPolarHBondContact CD-OG 3.41Å; C152-S163 PolarHBondContact N-OG 2.85Å; C152-S163 VanDerWaalsContact N-OG 3.1Å; C152-S163 PolarHBondContact O-N 2.83Å; C152-S163 WeakPolarHBondContact SG-CB 3.08Å; C152-S163 PolarHBondContact SG-OG 3.15Å
164S85.9Confident88.9Confident26 Ų2634.8 Ų34.818%0.18223%0.23CC..PPolyproline II helixtrans-56154.2155.164.80000110.7H90 Q311H90-S164 PolarHBondContact ND1-N 3.05Å; H90-S164 PolarHBondContact ND1-OG 3.24Å; S164-Q311 VanDerWaalsContact CB-OE1 3.24Å; S164-Q311 PolarHBondContact OG-OE1 2.88Å
165P88.5Confident88.4Confident57 Ų5736.8 Ų36.837%0.3724%0.244SC..PPolyproline II helixtrans-75.8152.5179.627.9-33.9000113.3E149E149-P165 HydrophobicContact CG-CB 3.33Å; E149-P165 HydrophobicContact CG-CG 4.39Å; E149-P165 WeakPolarHBondContact OE2-CB 3.22Å
166A89.9Confident87.8Confident2 Ų240.7 Ų40.72%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-121.7140.6166.100000110.5P91 Y150P91-A166 HydrophobicContact CB-CB 3.62Å; P91-A166 HydrophobicContact CG-CB 3.76Å; Y150-A166 PolarHBondContact N-O 3.17Å; Y150-A166 PolarHBondContact O-N 2.97Å
167H89.6Confident87.3Confident87 Ų8740.5 Ų40.540%0.40327%0.269SS..EExtended strand (participates in β ladder)trans-91.6125.8176.5-161.2-86.8000111.7D93 K94 T169D93-H167 CarbonylContact C-O 3.49Å; D93-H167 WeakPolarHBondContact CA-O 3.4Å; D93-H167 HydrophobicContact CB-CB 4.35Å; D93-H167 VanDerWaalsContact CB-O 3.27Å; D93-H167 WeakPolarHBondContact CB-O 3.27Å; D93-H167 PolarHBondContact OD1-N 3.44Å; K94-H167 PolarHBondContact N-O 3.39Å; H167-T169 PolarHBondContact CE1-OG1 2.92Å; H167-T169 PolarHBondContact ND1-OG1 3Å
168L92.1Very high87.3Confident0 Ų037.3 Ų37.30%024%0.242CC..EExtended strand (participates in β ladder)trans-97.2122.8166.117959000108.7K94 A102 L139 L142 S147 G148 Y150 V170K94-L168 HydrophobicContact CB-CD1 4.08Å; A102-L168 HydrophobicContact CB-CD1 4.16Å; A102-L168 HydrophobicContact CB-CD2 4.45Å; L139-L168 HydrophobicContact CD1-CD2 3.54Å; L142-L168 HydrophobicContact CD2-CD2 4.02Å; S147-L168 CarbonylContact C-O 3.56Å; S147-L168 VanDerWaalsContact CA-O 3.32Å; S147-L168 WeakPolarHBondContact CA-O 3.34Å; S147-L168 PolarHBondContact OG-O 3.21Å; S147-L168 VanDerWaalsContact OG-O 3.05Å; G148-L168 PolarHBondContact N-O 2.82Å; G148-L168 PolarHBondContact O-N 3.14Å; Y150-L168 HydrophobicContact CD2-CB 3.89Å; Y150-L168 HydrophobicContact CE2-CB 3.78Å; Y150-L168 HydrophobicContact CE2-CD2 3.82Å; Y150-L168 HydrophobicContact CE2-CG 4.41Å; L168-V170 HydrophobicContact CD2-CG2 4.49Å; L168-V170 HydrophobicContact CG-CG2 4.22Å
169T90.8Very high87.4Confident49 Ų4940.1 Ų40.130%0.30125%0.253SS..EExtended strand (participates in β ladder)trans-110.7118.7174.2-54.80000109.5K94 V95 R96 H167 I171K94-T169 PolarHBondContact O-N 2.94Å; V95-T169 WeakPolarHBondContact CA-O 3.44Å; V95-T169 HydrophobicContact CG1-CG2 4.26Å; R96-T169 PolarHBondContact N-O 2.89Å; H167-T169 PolarHBondContact CE1-OG1 2.92Å; H167-T169 PolarHBondContact ND1-OG1 3Å; T169-I171 HydrophobicContact CG2-CG1 4.47Å
170V91.1Very high87.3Confident11 Ų1142 Ų427%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-102.4127.7176.4-172.10000109.4R96 E98 L142 L144 L168R96-V170 WeakPolarHBondContact O-CA 3.27Å; E98-V170 HydrophobicContact CB-CG1 4.35Å; L142-V170 HydrophobicContact CB-CG1 4.29Å; L142-V170 HydrophobicContact CB-CG2 4.46Å; L144-V170 HydrophobicContact CD2-CG1 4.23Å; L168-V170 HydrophobicContact CD2-CG2 4.49Å; L168-V170 HydrophobicContact CG-CG2 4.22Å
171I89.8Confident87.1Confident28 Ų2845.9 Ų45.914%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-107.5131.6-178.3-63.2-169.5000109.4V95 R96 Y97 E98 T169 S175 P214V95-I171 HydrophobicContact CG1-CD1 3.7Å; V95-I171 HydrophobicContact CG1-CG1 3.99Å; R96-I171 PolarHBondContact O-N 2.76Å; Y97-I171 CarbonylContact C-O 3.59Å; Y97-I171 WeakPolarHBondContact CA-O 3.39Å; Y97-I171 HydrophobicContact CD1-CB 4.11Å; Y97-I171 HydrophobicContact CD1-CG2 3.92Å; Y97-I171 HydrophobicContact CE1-CB 4.31Å; Y97-I171 HydrophobicContact CE1-CG2 3.71Å; E98-I171 PolarHBondContact N-O 2.98Å; T169-I171 HydrophobicContact CG2-CG1 4.47Å; I171-S175 WeakPolarHBondContact CG2-OG 3.3Å; I171-P214 HydrophobicContact CD1-CG 4.05Å
172A89.3Confident87Confident33 Ų3347.5 Ų47.527%0.27330%0.303SS..  trans-61.8141.5-178.700000111.6L144 G174 S175L144-A172 HydrophobicContact CD1-CB 4.29Å; L144-A172 HydrophobicContact CD2-CB 4.15Å; A172-G174 PolarHBondContact O-N 3.36Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 2.97Å; A172-S175 VanDerWaalsContact O-N 3.13Å; A172-S175 PolarHBondContact O-OG 3.47Å
173N82.5Confident86.8Confident130 Ų13050 Ų5070%0.69532%0.316SS*.THydrogen-bonded Turntrans-61.7137.2-176.6-167.40.3000111.6E98 S175E98-N173 PolarHBondContact OE2-N 3.09Å; N173-S175 PolarHBondContact O-N 3.03Å
174G78.3Confident86.6Confident75 Ų7555.3 Ų55.377%0.77335%0.347SS*.THydrogen-bonded Turntrans76.4-4.8-17600000115.9A172A172-G174 PolarHBondContact O-N 3.36Å
175S83.8Confident86.5Confident42 Ų4256.1 Ų56.129%0.29435%0.348SS..SBendtrans-82.9147.817371.80000112I171 A172 N173 A177I171-S175 WeakPolarHBondContact CG2-OG 3.3Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 2.97Å; A172-S175 VanDerWaalsContact O-N 3.13Å; A172-S175 PolarHBondContact O-OG 3.47Å; N173-S175 PolarHBondContact O-N 3.03Å; S175-A177 PolarHBondContact O-N 3.05Å
176P79.4Confident86.3Confident106 Ų10658 Ų5869%0.68836%0.355SS*.  trans-74119.8-173.229-34.7000112.1C178P176-C178 PolarHBondContact O-N 3.21Å
177A79.6Confident86Confident13 Ų1359.1 Ų59.111%0.10736%0.36CS..SBendtrans-50.7-26.9175.100000115.8Y97 S175 C213 P214 C258Y97-A177 WeakPolarHBondContact OH-CB 3.46Å; S175-A177 PolarHBondContact O-N 3.05Å; A177-C213 HydrophobicContact CB-CB 4.19Å; A177-P214 HydrophobicContact CB-CG 3.91Å; A177-C258 HydrophobicContact CB-CB 4.42Å
178C84.7Confident85.7Confident13 Ų1358.4 Ų58.49%0.08835%0.354CS..SBendtrans-138.3141.1176.2-63.70000108.7P176 A180 C231 C258P176-C178 PolarHBondContact O-N 3.21Å; C178-A180 PolarHBondContact O-N 3.12Å; C178-C231 WeakPolarHBondContact CA-SG 3.35Å; C178-C231 HydrophobicContact CB-CB 3.78Å; C178-C231 WeakPolarHBondContact CB-SG 3.13Å; C178-C231 WeakPolarHBondContact SG-CA 3.36Å; C178-C231 WeakPolarHBondContact SG-CB 3.39Å; C178-C231 CovalentContact SG-SG 2.02Å; C178-C231 PolarHBondContact SG-SG 3.24Å; C178-C258 WeakPolarHBondContact SG-CA 3.35Å; C178-C258 VanDerWaalsContact SG-CB 3.52Å; C178-C258 PolarHBondContact SG-N 3.35Å; C178-C258 VanDerWaalsContact SG-N 3.42Å
179N85.2Confident85.4Confident86 Ų8658.4 Ų58.446%0.4635%0.354SS..  trans-65.8127166-172.44.2000109.1T181 C256N179-T181 PolarHBondContact ND2-OG1 3.1Å; N179-T181 PolarHBondContact OD1-N 2.8Å; N179-T181 VanDerWaalsContact OD1-N 3.15Å; N179-T181 PolarHBondContact OD1-OG1 3.41Å; N179-T181 VanDerWaalsContact OD1-OG1 3.06Å; N179-C256 WeakPolarHBondContact O-CB 3.25Å
180A85.4Confident85Confident47 Ų4756.1 Ų56.139%0.38834%0.34SS..SBendtrans-76-24.1-179.900000112.8C178 C256C178-A180 PolarHBondContact O-N 3.12Å; A180-C256 PolarHBondContact O-N 2.93Å
181T89.1Confident84.4Confident86 Ų8661 Ų6153%0.52836%0.363SS..SBendtrans-82.6130.8176.563.60000110.7N179N179-T181 PolarHBondContact ND2-OG1 3.1Å; N179-T181 PolarHBondContact OD1-N 2.8Å; N179-T181 VanDerWaalsContact OD1-N 3.15Å; N179-T181 PolarHBondContact OD1-OG1 3.41Å; N179-T181 VanDerWaalsContact OD1-OG1 3.06Å
182P88.8Confident84.1Confident45 Ų4563 Ų6329%0.29238%0.375SS..PPolyproline II helixtrans-69.3145.5176.527.8-33.8000112.8R207 V253P182-R207 CarbonylContact C-O 3.21Å; P182-R207 VanDerWaalsContact CA-O 3.32Å; P182-R207 WeakPolarHBondContact CA-O 3.43Å; P182-R207 WeakPolarHBondContact CB-O 3.09Å; P182-V253 HydrophobicContact CB-CB 4.11Å; P182-V253 HydrophobicContact CB-CG1 3.75Å; P182-V253 HydrophobicContact CG-CB 4.5Å; P182-V253 HydrophobicContact CG-CG1 4.21Å
183E88.6Confident83.9Confident106 Ų10661.5 Ų61.550%0.49536%0.362SS..BIsolated β-bridgetrans-74.3160.8171.6-60.3-178.6157.900111.2H185 G206 R207E183-H185 PolarHBondContact O-N 2.87Å; E183-G206 CarbonylContact O-C 3.53Å; E183-G206 VanDerWaalsContact O-CA 3.32Å; E183-G206 WeakPolarHBondContact O-CA 3.49Å; E183-R207 PolarHBondContact N-O 3.02Å; E183-R207 PolarHBondContact O-N 2.87Å
184T86.3Confident84Confident119 Ų11957.8 Ų57.873%0.7334%0.344SS*.  trans-72.5115.718052.70000111.7
185H84.8Confident84.3Confident44 Ų4455.7 Ų55.720%0.20431%0.314CS..  trans-125.7113.4176.3174.987.2000110.3E183 N204 A205 R207 E711E183-H185 PolarHBondContact O-N 2.87Å; H185-N204 PolarHBondContact N-OD1 2.99Å; H185-N204 CarbonylContact O-C 3.19Å; H185-N204 WeakPolarHBondContact O-CA 3.33Å; H185-N204 PolarHBondContact O-OD1 3.45Å; H185-A205 PolarHBondContact O-N 3.27Å; H185-R207 HydrophobicContact CB-CB 3.6Å; H185-E711 IonicContact CE1-OE1 2.89Å; H185-E711 PolarHBondContact CE1-OE1 3.01Å; H185-E711 IonicContact ND1-OE1 2.73Å
186L84.5Confident84.1Confident97 Ų9758.2 Ų58.251%0.50833%0.329SS..EExtended strand (participates in β ladder)trans-96.398.7-170.6-68.5-178000112Y203 N204L186-Y203 CarbonylContact C-O 3.48Å; L186-Y203 WeakPolarHBondContact CA-O 3.32Å; L186-N204 HydrophobicContact CD2-CB 4Å
187I83.6Confident84.2Confident25 Ų2556.8 Ų56.813%0.12833%0.333CS..EExtended strand (participates in β ladder)trans-75.7141.1170.764.1169.5000110.6Y202 Y203 A205 I250 Y705I187-Y202 CarbonylContact O-C 3.6Å; I187-Y202 VanDerWaalsContact O-CA 3.28Å; I187-Y202 WeakPolarHBondContact O-CA 3.11Å; I187-Y203 WeakPolarHBondContact CG1-O 3.25Å; I187-Y203 PolarHBondContact N-O 2.72Å; I187-Y203 PolarHBondContact O-N 2.88Å; I187-A205 HydrophobicContact CD1-CB 4.28Å; I187-A205 HydrophobicContact CG1-CB 4.34Å; I187-A205 HydrophobicContact CG2-CB 4.04Å; I187-I250 HydrophobicContact CD1-CD1 3.41Å; I187-I250 VanDerWaalsContact CD1-CD1 3.41Å; I187-I250 HydrophobicContact CD1-CG1 3.7Å; I187-Y705 HydrophobicContact CD1-CE2 4.12Å
188R82.8Confident84.3Confident71 Ų7160.5 Ų60.527%0.26836%0.355SS..EExtended strand (participates in β ladder)trans-77.5144.6174.4-173.4172.3171162.8-6.3110.4Y202 E549 Y703R188-Y202 HydrophobicContact CB-CD1 4.08Å; R188-Y202 HydrophobicContact CB-CE1 3.87Å; R188-Y202 HydrophobicContact CG-CD1 4.49Å; R188-Y202 HydrophobicContact CG-CE1 4.02Å; R188-E549 IonicContact CZ-OE1 3.8Å; R188-E549 IonicContact NH1-OE1 3.76Å; R188-E549 PolarHBondContact NH1-OE1 3.12Å; R188-Y703 HydrophobicContact CB-CE2 4.1Å; R188-Y703 HydrophobicContact CG-CD2 4.23Å; R188-Y703 HydrophobicContact CG-CE2 3.88Å; R188-Y703 PolarHBondContact O-OH 2.56Å
189L85Confident84.1Confident1 Ų167.2 Ų67.21%0.00539%0.385CS..PPolyproline II helixtrans-98.7160.7175.7-59.6179.5000111.4C193 Q195 K201 I241 Y703L189-C193 HydrophobicContact CB-CB 4.22Å; L189-Q195 HydrophobicContact CD1-CG 4Å; L189-K201 WeakPolarHBondContact CB-O 3.43Å; L189-K201 PolarHBondContact N-O 2.77Å; L189-I241 HydrophobicContact CD1-CG2 4.14Å; L189-I241 HydrophobicContact CD2-CD1 3.67Å; L189-I241 HydrophobicContact CD2-CG2 4.27Å; L189-Y703 VanDerWaalsContact C-CZ 3.48Å; L189-Y703 WeakPolarHBondContact CA-OH 3.35Å; L189-Y703 WeakPolarHBondContact O-CE2 3.36Å
190P82.9Confident84Confident0 Ų064.9 Ų64.90%038%0.375CS..PPolyproline II helixtrans-54.8150.4174.9-25.233.9000111.6D192 C193 L248 Y703P190-D192 WeakPolarHBondContact CB-OD1 3.39Å; P190-D192 PolarHBondContact O-N 3.16Å; P190-C193 HydrophobicContact CB-CB 4.11Å; P190-C193 HydrophobicContact CG-CB 4.2Å; P190-C193 PolarHBondContact O-N 3.06Å; P190-C193 VanDerWaalsContact O-O 3.06Å; P190-L248 HydrophobicContact CG-CD1 3.73Å; P190-Y703 HydrophobicContact CB-CE1 4.1Å; P190-Y703 WeakPolarHBondContact CD-OH 3.33Å; P190-Y703 HydrophobicContact CG-CE1 3.91Å
191M77.5Confident83.9Confident113 Ų11366.7 Ų66.756%0.55737%0.374SS*.THydrogen-bonded Turntrans-62.2-21.8-175.7-74.5-69.5-76.300114.1
192D83.4Confident83.8Confident72 Ų7265.7 Ų65.739%0.38536%0.361SS..THydrogen-bonded Turntrans-90.4-5.6174.152.4-55.8000114.4P190 Y246 R750P190-D192 WeakPolarHBondContact CB-OD1 3.39Å; P190-D192 PolarHBondContact O-N 3.16Å; D192-Y246 WeakPolarHBondContact OD2-CE1 3.4Å; D192-Y246 PolarHBondContact OD2-OH 2.86Å; D192-R750 IonicContact OD1-CZ 3.86Å; D192-R750 IonicContact OD1-NH1 2.72Å; D192-R750 PolarHBondContact OD1-NH1 3.43Å; D192-R750 IonicContact OD1-NH2 3.87Å; D192-R750 PolarHBondContact OD1-NH2 3.47Å; D192-R750 IonicContact OD2-CZ 2.67Å; D192-R750 IonicContact OD2-NH1 3.01Å; D192-R750 PolarHBondContact OD2-NH1 3.44Å; D192-R750 IonicContact OD2-NH2 3.69Å
193C85Confident83.7Confident0 Ų065.7 Ų65.70%036%0.356CS..  trans-108.5132.1176.5-1780000110.9L189 P190 C243L189-C193 HydrophobicContact CB-CB 4.22Å; P190-C193 HydrophobicContact CB-CB 4.11Å; P190-C193 HydrophobicContact CG-CB 4.2Å; P190-C193 PolarHBondContact O-N 3.06Å; P190-C193 VanDerWaalsContact O-O 3.06Å; C193-C243 HydrophobicContact CB-CB 3.67Å; C193-C243 WeakPolarHBondContact CB-SG 3.31Å; C193-C243 WeakPolarHBondContact SG-CB 3.12Å; C193-C243 CovalentContact SG-SG 2.04Å; C193-C243 PolarHBondContact SG-SG 2.92Å
194V86.1Confident83.7Confident52 Ų5263.7 Ų63.732%0.31535%0.348SS..  trans-142.2137.1176.5-165.10000108.1H199V194-H199 HydrophobicContact CG1-CB 4.28Å; V194-H199 WeakPolarHBondContact CG1-O 3.38Å
195Q83.2Confident83.7Confident31 Ų3158 Ų5815%0.14531%0.314CS..  trans-65.2134.4-179.7-75.8168.221.200112.3L189 T198 H199 S200 Y202 Y203L189-Q195 HydrophobicContact CD1-CG 4Å; Q195-T198 WeakPolarHBondContact CB-OG1 3.37Å; Q195-T198 PolarHBondContact OE1-OG1 2.72Å; Q195-H199 WeakPolarHBondContact O-CA 3.1Å; Q195-H199 PolarHBondContact O-N 2.85Å; Q195-H199 VanDerWaalsContact O-N 3.09Å; Q195-S200 PolarHBondContact N-O 2.95Å; Q195-Y202 VanDerWaalsContact NE2-C 3.31Å; Q195-Y202 PolarHBondContact NE2-O 3Å; Q195-Y203 VanDerWaalsContact NE2-CA 3.33Å
196P80.2Confident83.9Confident96 Ų9656.3 Ų56.362%0.62331%0.308SS*.THydrogen-bonded Turntrans-63.3143.4169.527.3-34000110.8T198 D242P196-T198 VanDerWaalsContact C-N 3.26Å; P196-T198 PolarHBondContact O-N 3.01Å; P196-D242 WeakPolarHBondContact CD-O 3.11Å; P196-D242 HydrophobicContact CG-CB 4.45Å
197G81.9Confident84Confident75 Ų7555 Ų5577%0.77330%0.296SS*.THydrogen-bonded Turntrans81.3-53.6-179.600000114.3
198T80.6Confident84.1Confident91 Ų9154.2 Ų54.256%0.55829%0.293SS*.THydrogen-bonded Turntrans-86-20-17764.40000114Q195 P196 S200Q195-T198 WeakPolarHBondContact CB-OG1 3.37Å; Q195-T198 PolarHBondContact OE1-OG1 2.72Å; P196-T198 VanDerWaalsContact C-N 3.26Å; P196-T198 PolarHBondContact O-N 3.01Å; T198-S200 PolarHBondContact O-N 3.24Å; T198-S200 VanDerWaalsContact O-N 3.09Å; T198-S200 WeakPolarHBondContact OG1-CB 3.21Å; T198-S200 PolarHBondContact OG1-N 2.92Å
199H81.4Confident84Confident154 Ų15451.6 Ų51.671%0.71329%0.285SS*.  trans52.921.4-167.2-67.4-83.4000114.4V194 Q195V194-H199 HydrophobicContact CG1-CB 4.28Å; V194-H199 WeakPolarHBondContact CG1-O 3.38Å; Q195-H199 WeakPolarHBondContact O-CA 3.1Å; Q195-H199 PolarHBondContact O-N 2.85Å; Q195-H199 VanDerWaalsContact O-N 3.09Å
200S82.9Confident83.5Confident37 Ų3755.7 Ų55.726%0.25930%0.304SS..  trans-76.7143.1179.7-177.60000112.4Q195 T198 Y202Q195-S200 PolarHBondContact N-O 2.95Å; T198-S200 PolarHBondContact O-N 3.24Å; T198-S200 VanDerWaalsContact O-N 3.09Å; T198-S200 WeakPolarHBondContact OG1-CB 3.21Å; T198-S200 PolarHBondContact OG1-N 2.92Å; S200-Y202 PolarHBondContact OG-N 3.27Å; S200-Y202 PolarHBondContact OG-O 3.3Å
201K83.9Confident83.3Confident85 Ų8558.9 Ų58.937%0.3732%0.321SS..SBendtrans-94.57.9167.3-64-169.9174.4-167.20113.2L189L189-K201 WeakPolarHBondContact CB-O 3.43Å; L189-K201 PolarHBondContact N-O 2.77Å
202Y86.1Confident83.4Confident65 Ų6557.8 Ų57.826%0.25531%0.313SS..EExtended strand (participates in β ladder)trans-130.5128.6-176.3-65.3-77000111.5I187 R188 Q195 S200I187-Y202 CarbonylContact O-C 3.6Å; I187-Y202 VanDerWaalsContact O-CA 3.28Å; I187-Y202 WeakPolarHBondContact O-CA 3.11Å; R188-Y202 HydrophobicContact CB-CD1 4.08Å; R188-Y202 HydrophobicContact CB-CE1 3.87Å; R188-Y202 HydrophobicContact CG-CD1 4.49Å; R188-Y202 HydrophobicContact CG-CE1 4.02Å; Q195-Y202 VanDerWaalsContact NE2-C 3.31Å; Q195-Y202 PolarHBondContact NE2-O 3Å; S200-Y202 PolarHBondContact OG-N 3.27Å; S200-Y202 PolarHBondContact OG-O 3.3Å
203Y87.3Confident83.5Confident46 Ų4654.7 Ų54.718%0.1830%0.297CS..EExtended strand (participates in β ladder)trans-113.6137.4-178.5-173.2-90.3000111.2L186 I187 Q195 A205 R239 I241 I250L186-Y203 CarbonylContact C-O 3.48Å; L186-Y203 WeakPolarHBondContact CA-O 3.32Å; I187-Y203 WeakPolarHBondContact CG1-O 3.25Å; I187-Y203 PolarHBondContact N-O 2.72Å; I187-Y203 PolarHBondContact O-N 2.88Å; Q195-Y203 VanDerWaalsContact NE2-CA 3.33Å; Y203-A205 PolarHBondContact O-N 2.95Å; Y203-R239 WeakPolarHBondContact OH-CD 3.18Å; Y203-I241 HydrophobicContact CD1-CD1 3.78Å; Y203-I241 HydrophobicContact CD1-CG1 4.3Å; Y203-I241 HydrophobicContact CD2-CD1 3.9Å; Y203-I241 HydrophobicContact CD2-CG1 3.94Å; Y203-I241 HydrophobicContact CD2-CG2 4.07Å; Y203-I241 HydrophobicContact CE1-CD1 4.25Å; Y203-I241 HydrophobicContact CE1-CG1 4.32Å; Y203-I241 HydrophobicContact CE2-CD1 4.36Å; Y203-I241 HydrophobicContact CE2-CG1 3.96Å; Y203-I241 HydrophobicContact CE2-CG2 4.47Å; Y203-I241 HydrophobicContact CG-CD1 3.59Å; Y203-I241 HydrophobicContact CG-CG1 4.12Å; Y203-I250 HydrophobicContact CD1-CG2 4.43Å; Y203-I250 HydrophobicContact CE1-CG2 3.95Å
204N88.1Confident83.2Confident64 Ų6455.2 Ų55.234%0.34230%0.3SS..EExtended strand (participates in β ladder)trans-82104.4176.9-173.616.1000110.8H185 L186 G206H185-N204 PolarHBondContact N-OD1 2.99Å; H185-N204 CarbonylContact O-C 3.19Å; H185-N204 WeakPolarHBondContact O-CA 3.33Å; H185-N204 PolarHBondContact O-OD1 3.45Å; L186-N204 HydrophobicContact CD2-CB 4Å; N204-G206 PolarHBondContact OD1-N 2.04Å
205A87.4Confident82.6Confident0 Ų053.5 Ų53.50%029%0.293CS..  trans-84.9-17.6173.800000112.8H185 I187 Y203 A252 V253 P709H185-A205 PolarHBondContact O-N 3.27Å; I187-A205 HydrophobicContact CD1-CB 4.28Å; I187-A205 HydrophobicContact CG1-CB 4.34Å; I187-A205 HydrophobicContact CG2-CB 4.04Å; Y203-A205 PolarHBondContact O-N 2.95Å; A205-A252 CarbonylContact O-C 3.3Å; A205-A252 VanDerWaalsContact O-CA 3.23Å; A205-A252 WeakPolarHBondContact O-CA 3.45Å; A205-A252 WeakPolarHBondContact O-CB 3.26Å; A205-V253 PolarHBondContact O-N 3.4Å; A205-P709 HydrophobicContact CB-CG 3.94Å
206G87.8Confident81.7Confident8 Ų857.3 Ų57.38%0.08232%0.323CS..  trans77147.6-173.200000113.2E183 N204 V253E183-G206 CarbonylContact O-C 3.53Å; E183-G206 VanDerWaalsContact O-CA 3.32Å; E183-G206 WeakPolarHBondContact O-CA 3.49Å; N204-G206 PolarHBondContact OD1-N 2.04Å; G206-V253 WeakPolarHBondContact O-CG2 3.49Å
207R86.7Confident80.8Confident70 Ų7055.5 Ų55.526%0.26431%0.308SS..BIsolated β-bridgetrans-138.2147.9171.9177169.7-176.7-179.84.4109.8P182 E183 H185 E711 D714P182-R207 CarbonylContact C-O 3.21Å; P182-R207 VanDerWaalsContact CA-O 3.32Å; P182-R207 WeakPolarHBondContact CA-O 3.43Å; P182-R207 WeakPolarHBondContact CB-O 3.09Å; E183-R207 PolarHBondContact N-O 3.02Å; E183-R207 PolarHBondContact O-N 2.87Å; H185-R207 HydrophobicContact CB-CB 3.6Å; R207-E711 IonicContact CZ-OE1 3.48Å; R207-E711 IonicContact CZ-OE2 3.4Å; R207-E711 VanDerWaalsContact CZ-OE2 3.25Å; R207-E711 IonicContact NE-OE1 3.76Å; R207-E711 IonicContact NH1-OE1 3.55Å; R207-E711 PolarHBondContact NH1-OE1 2.96Å; R207-E711 IonicContact NH1-OE2 2.72Å; R207-E711 PolarHBondContact NH1-OE2 2.9Å; R207-E711 IonicContact NH2-OE2 3.2Å; R207-E711 PolarHBondContact NH2-OE2 3.45Å; R207-D714 IonicContact CZ-OD2 2.89Å; R207-D714 IonicContact NH2-OD2 3.82Å; R207-D714 PolarHBondContact NH2-OD2 2.8Å
208C85.3Confident79.6Confident8 Ų853.9 Ų53.95%0.05428%0.282CS..  trans-84.5140.3168.4-62.10000110.1G232 V233 V253 C256C208-G232 PolarHBondContact SG-O 2.73Å; C208-G232 VanDerWaalsContact SG-O 3.39Å; C208-V233 VanDerWaalsContact SG-CA 3.56Å; C208-V253 VanDerWaalsContact SG-CG1 3.59Å; C208-C256 WeakPolarHBondContact CA-SG 3.44Å; C208-C256 HydrophobicContact CB-CB 3.75Å; C208-C256 WeakPolarHBondContact CB-SG 3.4Å; C208-C256 VanDerWaalsContact SG-CA 3.56Å; C208-C256 WeakPolarHBondContact SG-CB 3.31Å; C208-C256 CovalentContact SG-SG 2.03Å; C208-C256 PolarHBondContact SG-SG 3.49Å
209P82Confident78.6Confident15 Ų1556.1 Ų56.110%0.09728%0.284CS..  trans-59143.3175.126.6-34.8000109.8N211 C231P209-N211 VanDerWaalsContact C-N 3.33Å; P209-N211 WeakPolarHBondContact CB-OD1 3.44Å; P209-N211 PolarHBondContact O-N 2.93Å; P209-C231 HydrophobicContact CG-CB 4.3Å; P209-C231 CarbonylContact O-C 3.59Å; P209-C231 WeakPolarHBondContact O-CB 3.49Å
210H74.6Confident77.8Confident87 Ų8751.4 Ų51.440%0.40326%0.264SS..  trans-96.636.4179.8-168.568000112.3T716H210-T716 PolarHBondContact CE1-OG1 2.94Å; H210-T716 PolarHBondContact ND1-OG1 3.07Å
211N78.3Confident77.5Confident67 Ų6753.2 Ų53.236%0.35827%0.269SS..  trans-77.1144.3175.964.6-74.8000111.2P209 C231P209-N211 VanDerWaalsContact C-N 3.33Å; P209-N211 WeakPolarHBondContact CB-OD1 3.44Å; P209-N211 PolarHBondContact O-N 2.93Å; N211-C231 VanDerWaalsContact CG-SG 3.52Å; N211-C231 PolarHBondContact ND2-SG 3.05Å; N211-C231 PolarHBondContact O-N 2.83Å; N211-C231 PolarHBondContact OD1-SG 2.88Å
212K80.3Confident77.5Confident90 Ų9055.2 Ų55.239%0.39127%0.274SS..BIsolated β-bridgetrans-56.7142.7163.3-73.3177.4173.6177.30108.6D93 V95 F229D93-K212 PolarHBondContact O-NZ 3.37Å; D93-K212 IonicContact OD2-NZ 2.69Å; D93-K212 PolarHBondContact OD2-NZ 3.3Å; V95-K212 HydrophobicContact CG2-CB 3.52Å; K212-F229 WeakPolarHBondContact CA-O 3.39Å
213C84.8Confident77.3Confident8 Ų853.4 Ų53.45%0.05427%0.27CS..  trans-132.2152.3179.558.70000111.6A177 G215 F229 C230 C258A177-C213 HydrophobicContact CB-CB 4.19Å; C213-G215 PolarHBondContact O-N 2.9Å; C213-F229 PolarHBondContact N-O 3.18Å; C213-C230 PolarHBondContact SG-N 2.75Å; C213-C230 VanDerWaalsContact SG-N 3.45Å; C213-C258 HydrophobicContact CB-CB 3.93Å; C213-C258 WeakPolarHBondContact CB-SG 3.45Å; C213-C258 VanDerWaalsContact SG-CA 3.5Å; C213-C258 WeakPolarHBondContact SG-CB 3.4Å; C213-C258 CovalentContact SG-SG 2.04Å; C213-C258 PolarHBondContact SG-SG 3.01Å
214P78.1Confident76.9Confident11 Ų1156 Ų567%0.07128%0.28CS..  trans-71.999.2170.530.7-32.4000108.6V95 Y97 I171 A177V95-P214 HydrophobicContact CG1-CG 4.4Å; Y97-P214 HydrophobicContact CD1-CG 4.48Å; Y97-P214 HydrophobicContact CD2-CB 3.79Å; Y97-P214 HydrophobicContact CD2-CG 3.84Å; Y97-P214 HydrophobicContact CE1-CG 4.18Å; Y97-P214 HydrophobicContact CE2-CB 3.78Å; Y97-P214 HydrophobicContact CE2-CG 3.48Å; Y97-P214 VanDerWaalsContact CE2-CG 3.48Å; Y97-P214 HydrophobicContact CG-CB 4.5Å; Y97-P214 HydrophobicContact CG-CG 4.33Å; I171-P214 HydrophobicContact CD1-CG 4.05Å; A177-P214 HydrophobicContact CB-CG 3.91Å
215G73.3Confident76.4Confident15 Ų1554.9 Ų54.916%0.15527%0.274CS..  trans-79.5-165.9169.600000112.4C213 L217C213-G215 PolarHBondContact O-N 2.9Å; G215-L217 PolarHBondContact O-N 2.9Å
216S65.1Low75.3Confident111 Ų11157.6 Ų57.678%0.77630%0.302SS*.SBendtrans-6718.5-174-170.50000116.3
217L60.2Low74.3Confident58 Ų5858.7 Ų58.730%0.30431%0.31SS..  trans-116.542.2-174-66.1-179.5000113.2G215 F219 F229G215-L217 PolarHBondContact O-N 2.9Å; L217-F219 PolarHBondContact O-N 3.2Å; L217-F229 HydrophobicContact CD1-CE2 3.94Å; L217-F229 HydrophobicContact CG-CE2 4Å
218D57Low73.6Confident42 Ų4256.4 Ų56.423%0.22531%0.309CS..THydrogen-bonded Turntrans-60.4-14.1-177.9-83.6-49.8000115.9
219F60.4Low73.5Confident138 Ų13857.7 Ų57.761%0.60531%0.313SS*.THydrogen-bonded Turntrans-123.9-2-168.4-59.1-63.2000116.3L217 M221L217-F219 PolarHBondContact O-N 3.2Å; F219-M221 PolarHBondContact O-N 3.09Å
220D63.4Low73.5Confident55 Ų5557.5 Ų57.529%0.29431%0.312SS..  trans-81.8110.8-172.1-149.5-27000111.7R222D220-R222 VanDerWaalsContact C-N 3.27Å; D220-R222 PolarHBondContact O-N 3.05Å; D220-R222 WeakPolarHBondContact OD1-CG 3.45Å; D220-R222 IonicContact OD1-CZ 2.67Å; D220-R222 IonicContact OD1-NE 3.89Å; D220-R222 PolarHBondContact OD1-NE 2.98Å; D220-R222 IonicContact OD1-NH2 2.69Å; D220-R222 IonicContact OD2-CZ 3.06Å; D220-R222 IonicContact OD2-NE 2.76Å; D220-R222 PolarHBondContact OD2-NE 3.5Å; D220-R222 IonicContact OD2-NH2 3.14Å; D220-R222 PolarHBondContact OD2-NH2 3.01Å
221M77.5Confident74.1Confident74 Ų7453.5 Ų53.537%0.36529%0.294SS..  trans-81.567.2-174-76.5-65.4-59.900111.4R101 L103 V138 F219R101-M221 HydrophobicContact CB-SD 4.21Å; L103-M221 HydrophobicContact CB-CE 3.84Å; L103-M221 HydrophobicContact CB-SD 4.48Å; L103-M221 HydrophobicContact CD2-CE 4.38Å; L103-M221 WeakPolarHBondContact CD2-O 3.39Å; V138-M221 HydrophobicContact CB-CE 4.44Å; V138-M221 HydrophobicContact CG1-CE 3.75Å; V138-M221 HydrophobicContact CG2-CE 3.91Å; F219-M221 PolarHBondContact O-N 3.09Å
222R83.9Confident74.4Confident128 Ų12850.7 Ų50.748%0.48328%0.281SS..  trans-119.4148.8178.6-56-174.8-158.3-163.911.8112.1K94 D220 R224K94-R222 PolarHBondContact NZ-O 2.98Å; D220-R222 VanDerWaalsContact C-N 3.27Å; D220-R222 PolarHBondContact O-N 3.05Å; D220-R222 WeakPolarHBondContact OD1-CG 3.45Å; D220-R222 IonicContact OD1-CZ 2.67Å; D220-R222 IonicContact OD1-NE 3.89Å; D220-R222 PolarHBondContact OD1-NE 2.98Å; D220-R222 IonicContact OD1-NH2 2.69Å; D220-R222 IonicContact OD2-CZ 3.06Å; D220-R222 IonicContact OD2-NE 2.76Å; D220-R222 PolarHBondContact OD2-NE 3.5Å; D220-R222 IonicContact OD2-NH2 3.14Å; D220-R222 PolarHBondContact OD2-NH2 3.01Å; R222-R224 VanDerWaalsContact C-N 3.34Å; R222-R224 WeakPolarHBondContact CB-O 3.45Å
223C83Confident74.7Confident26 Ų2648.1 Ų48.118%0.17627%0.272CS..SBendtrans-58.6-47169.8-57.50000111.5K89 K94 C105K89-C223 PolarHBondContact NZ-SG 2.94Å; K94-C223 WeakPolarHBondContact CE-O 3.22Å; K94-C223 PolarHBondContact NZ-O 2.61Å; C105-C223 HydrophobicContact CB-CB 3.55Å; C105-C223 WeakPolarHBondContact CB-SG 3.34Å; C105-C223 WeakPolarHBondContact SG-CA 3.37Å; C105-C223 WeakPolarHBondContact SG-CB 3.31Å; C105-C223 CovalentContact SG-SG 2.02Å; C105-C223 PolarHBondContact SG-SG 2.89Å
224R78.6Confident74.8Confident101 Ų10152.9 Ų52.938%0.38129%0.294SS..SBendtrans-106.7131.5173.6179.3167.2-59.8-154.7-2.1110.3E92 R222 G226 D309E92-R224 IonicContact OE1-CZ 3.08Å; E92-R224 IonicContact OE1-NE 3.68Å; E92-R224 PolarHBondContact OE1-NE 2.97Å; E92-R224 IonicContact OE1-NH2 3.68Å; E92-R224 PolarHBondContact OE1-NH2 2.96Å; E92-R224 WeakPolarHBondContact OE2-CA 3.14Å; E92-R224 VanDerWaalsContact OE2-CB 3.22Å; E92-R224 WeakPolarHBondContact OE2-CB 3.44Å; E92-R224 VanDerWaalsContact OE2-CG 3.25Å; E92-R224 WeakPolarHBondContact OE2-CG 3.44Å; E92-R224 IonicContact OE2-NE 2.73Å; E92-R224 PolarHBondContact OE2-NE 3.03Å; R222-R224 VanDerWaalsContact C-N 3.34Å; R222-R224 WeakPolarHBondContact CB-O 3.45Å; R224-G226 PolarHBondContact O-N 2.87Å; R224-D309 IonicContact CZ-OD2 4Å; R224-D309 IonicContact NE-OD2 2.86Å; R224-D309 IonicContact NH1-OD2 3.83Å; R224-D309 PolarHBondContact NH1-OD2 2.7Å; R224-D309 IonicContact NH2-OD1 2.73Å; R224-D309 IonicContact NH2-OD2 3.86Å; R224-D309 PolarHBondContact NH2-OD2 3.03Å
225D76.9Confident75.3Confident41 Ų4156.2 Ų56.222%0.21931%0.309CS..  trans-71.9125.2176.9-68.81.9000109K94 R96 A227K94-D225 IonicContact NZ-OD1 3.21Å; K94-D225 PolarHBondContact NZ-OD1 2.85Å; R96-D225 IonicContact CZ-OD1 3.92Å; R96-D225 IonicContact CZ-OD2 3.68Å; R96-D225 IonicContact NH1-OD1 3.63Å; R96-D225 IonicContact NH1-OD2 2.7Å; R96-D225 PolarHBondContact NH1-OD2 2.76Å; R96-D225 VanDerWaalsContact NH2-CG 3.25Å; R96-D225 IonicContact NH2-OD1 3.69Å; R96-D225 PolarHBondContact NH2-OD1 3.47Å; R96-D225 IonicContact NH2-OD2 2.61Å; R96-D225 PolarHBondContact NH2-OD2 2.76Å; D225-A227 PolarHBondContact O-N 3.27Å; D225-A227 VanDerWaalsContact O-N 3.13Å
226G63.6Low76Confident57 Ų5757.4 Ų57.459%0.58831%0.311SS*.SBendtrans-65.7-20.3-165.700000115.6R224R224-G226 PolarHBondContact O-N 2.87Å
227A66.8Low77.3Confident31 Ų3155.4 Ų55.426%0.25629%0.289SS..SBendtrans-143.6124.716100000107.3D225 F229D225-A227 PolarHBondContact O-N 3.27Å; D225-A227 VanDerWaalsContact O-N 3.13Å; A227-F229 HydrophobicContact CB-CE2 4.46Å; A227-F229 VanDerWaalsContact O-CD2 3.3Å; A227-F229 WeakPolarHBondContact O-CD2 3.04Å
228G73.4Confident78.8Confident22 Ų2256.5 Ų56.523%0.22730%0.301CS..  trans-65.2143.9169.300000110.2C261G228-C261 PolarHBondContact O-N 2.85Å; G228-C261 PolarHBondContact O-SG 2.69Å
229F82.4Confident80.4Confident35 Ų3558.1 Ų58.115%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-115.4136169.3-68.9-104.5000109.9K212 C213 L217 A227 Q259 K260K212-F229 WeakPolarHBondContact CA-O 3.39Å; C213-F229 PolarHBondContact N-O 3.18Å; L217-F229 HydrophobicContact CD1-CE2 3.94Å; L217-F229 HydrophobicContact CG-CE2 4Å; A227-F229 HydrophobicContact CB-CE2 4.46Å; A227-F229 VanDerWaalsContact O-CD2 3.3Å; A227-F229 WeakPolarHBondContact O-CD2 3.04Å; F229-Q259 CarbonylContact C-O 3.56Å; F229-Q259 WeakPolarHBondContact CA-O 3.21Å; F229-Q259 WeakPolarHBondContact CB-O 3.12Å; F229-K260 HydrophobicContact CD1-CG 4.34Å; F229-K260 HydrophobicContact CE1-CG 3.94Å; F229-K260 HydrophobicContact CZ-CG 4.29Å
230C82.8Confident81.9Confident10 Ų1056.9 Ų56.97%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-130.5145.3-174.2-70.60000108.6C213 Q259 C261C213-C230 PolarHBondContact SG-N 2.75Å; C213-C230 VanDerWaalsContact SG-N 3.45Å; C230-Q259 PolarHBondContact N-O 2.87Å; C230-Q259 PolarHBondContact O-N 3Å; C230-Q259 VanDerWaalsContact O-O 3.09Å; C230-C261 HydrophobicContact CB-CB 4Å; C230-C261 WeakPolarHBondContact CB-SG 3.22Å; C230-C261 PolarHBondContact N-SG 2.82Å; C230-C261 WeakPolarHBondContact SG-CB 3.36Å; C230-C261 CovalentContact SG-SG 2.04Å; C230-C261 PolarHBondContact SG-SG 3.08Å
231C86.1Confident83.2Confident4 Ų454.4 Ų54.43%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-67.4140.2167.6-60.80000110.1C178 P209 N211 S257C178-C231 WeakPolarHBondContact CA-SG 3.35Å; C178-C231 HydrophobicContact CB-CB 3.78Å; C178-C231 WeakPolarHBondContact CB-SG 3.13Å; C178-C231 WeakPolarHBondContact SG-CA 3.36Å; C178-C231 WeakPolarHBondContact SG-CB 3.39Å; C178-C231 CovalentContact SG-SG 2.02Å; C178-C231 PolarHBondContact SG-SG 3.24Å; P209-C231 HydrophobicContact CG-CB 4.3Å; P209-C231 CarbonylContact O-C 3.59Å; P209-C231 WeakPolarHBondContact O-CB 3.49Å; N211-C231 VanDerWaalsContact CG-SG 3.52Å; N211-C231 PolarHBondContact ND2-SG 3.05Å; N211-C231 PolarHBondContact O-N 2.83Å; N211-C231 PolarHBondContact OD1-SG 2.88Å; C231-S257 WeakPolarHBondContact CA-O 3.36Å
232G85Confident83.7Confident8 Ų853.4 Ų53.48%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-169.5178.6-171.700000113.5C208 Q234 C256 S257C208-G232 PolarHBondContact SG-O 2.73Å; C208-G232 VanDerWaalsContact SG-O 3.39Å; G232-Q234 PolarHBondContact O-N 2.73Å; G232-C256 CarbonylContact O-C 3.49Å; G232-C256 VanDerWaalsContact O-CA 3.25Å; G232-C256 WeakPolarHBondContact O-CA 3.39Å; G232-S257 PolarHBondContact N-O 3.19Å; G232-S257 PolarHBondContact O-N 3.25Å
233V85.8Confident83.8Confident35 Ų3547.9 Ų47.921%0.21227%0.268CS..EExtended strand (participates in β ladder)trans-72.1120.2-170.7-179.10000111.5C208 M236 V253 T719C208-V233 VanDerWaalsContact SG-CA 3.56Å; V233-M236 HydrophobicContact CG1-CG 3.5Å; V233-M236 HydrophobicContact CG1-SD 4.33Å; V233-V253 HydrophobicContact CG1-CG1 4.35Å; V233-V253 HydrophobicContact CG1-CG2 4.45Å; V233-V253 HydrophobicContact CG2-CG1 4.25Å; V233-V253 HydrophobicContact CG2-CG2 3.83Å; V233-T719 HydrophobicContact CB-CG2 4.21Å; V233-T719 HydrophobicContact CG1-CG2 4.42Å; V233-T719 HydrophobicContact CG2-CG2 4.41Å
234Q86.8Confident83.8Confident109 Ų10949.9 Ų49.951%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-93.9-38.9173.4-169.9178.95.600112G232 Q255G232-Q234 PolarHBondContact O-N 2.73Å; Q234-Q255 HydrophobicContact CB-CG 4.4Å; Q234-Q255 WeakPolarHBondContact CB-O 3.28Å; Q234-Q255 PolarHBondContact N-O 2.86Å
235E88.4Confident84Confident80 Ų8050.9 Ų50.937%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-144.5139.9-179.4-162-171.6163.500111.3K254 Q255E235-K254 HydrophobicContact CB-CB 4.43Å; E235-K254 HydrophobicContact CG-CD 4.37Å; E235-K254 PolarHBondContact O-N 3.2Å; E235-K254 IonicContact OE1-NZ 2.76Å; E235-K254 PolarHBondContact OE1-NZ 2.91Å; E235-K254 IonicContact OE2-NZ 3.96Å; E235-K254 PolarHBondContact OE2-NZ 2.63Å; E235-Q255 HydrophobicContact CB-CB 4.2Å; E235-Q255 PolarHBondContact N-O 3.34Å; E235-Q255 VanDerWaalsContact N-O 3.15Å; E235-Q255 PolarHBondContact O-N 3Å
236M89.3Confident84.5Confident41 Ų4152.1 Ų52.120%0.20231%0.312CS..EExtended strand (participates in β ladder)trans-122.2144.5171.2-62.9-168-68.600111.1V233 R251 A252 V708 T719 D721V233-M236 HydrophobicContact CG1-CG 3.5Å; V233-M236 HydrophobicContact CG1-SD 4.33Å; M236-R251 HydrophobicContact CB-CB 4.45Å; M236-R251 HydrophobicContact CE-CB 4.43Å; M236-R251 HydrophobicContact SD-CB 3.98Å; M236-A252 CarbonylContact C-O 3.55Å; M236-A252 VanDerWaalsContact CA-O 3.25Å; M236-A252 WeakPolarHBondContact CA-O 3.27Å; M236-V708 HydrophobicContact CE-CG1 4.4Å; M236-T719 HydrophobicContact CE-CG2 4.08Å; M236-T719 WeakPolarHBondContact CE-OG1 3.47Å; M236-T719 HydrophobicContact SD-CG2 4.2Å; M236-D721 HydrophobicContact CE-CB 4.04Å
237E92.4Very high85.7Confident69 Ų6955.8 Ų55.832%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-116.5149.4174.262.2177.1-15300111.9R239 R251 A252 K254E237-R239 HydrophobicContact CG-CG 4.38Å; E237-R239 IonicContact OE1-CZ 2.93Å; E237-R239 IonicContact OE1-NE 2.68Å; E237-R239 PolarHBondContact OE1-NE 2.82Å; E237-R239 IonicContact OE1-NH2 3.11Å; E237-R239 PolarHBondContact OE1-NH2 2.81Å; E237-R251 WeakPolarHBondContact O-CA 3.27Å; E237-A252 PolarHBondContact N-O 2.92Å; E237-A252 PolarHBondContact O-N 2.78Å; E237-K254 HydrophobicContact CB-CD 4.34Å; E237-K254 HydrophobicContact CG-CB 4.29Å; E237-K254 HydrophobicContact CG-CD 4.49Å; E237-K254 WeakPolarHBondContact OE2-CD 3.39Å
238S90.5Very high86.8Confident80 Ų8054.5 Ų54.556%0.55930%0.301SS*.EExtended strand (participates in β ladder)trans-85.2117175.8-64.30000110.8R251S238-R251 PolarHBondContact OG-NH1 2.76Å
239R92Very high87.7Confident77 Ų7755.4 Ų55.429%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-108.1153.1171.1-57.3-174.4-176.8150.34.8109.9Y203 E237 I250 A252Y203-R239 WeakPolarHBondContact OH-CD 3.18Å; E237-R239 HydrophobicContact CG-CG 4.38Å; E237-R239 IonicContact OE1-CZ 2.93Å; E237-R239 IonicContact OE1-NE 2.68Å; E237-R239 PolarHBondContact OE1-NE 2.82Å; E237-R239 IonicContact OE1-NH2 3.11Å; E237-R239 PolarHBondContact OE1-NH2 2.81Å; R239-I250 HydrophobicContact CB-CG2 3.91Å; R239-I250 PolarHBondContact N-O 3.11Å; R239-I250 PolarHBondContact O-N 3.45Å; R239-A252 HydrophobicContact CG-CB 4.12Å
240N91.6Very high88.1Confident111 Ų11153.8 Ų53.859%0.59430%0.296SS*.EExtended strand (participates in β ladder)trans-115.4119.3172.8-76.5-63.1000109.4L248N240-L248 WeakPolarHBondContact CA-O 3.46Å
241I89.6Confident88.5Confident4 Ų456.4 Ų56.42%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-86.2124.9176-45.4179.5000107.6L189 Y203 K247 L248 I250L189-I241 HydrophobicContact CD1-CG2 4.14Å; L189-I241 HydrophobicContact CD2-CD1 3.67Å; L189-I241 HydrophobicContact CD2-CG2 4.27Å; Y203-I241 HydrophobicContact CD1-CD1 3.78Å; Y203-I241 HydrophobicContact CD1-CG1 4.3Å; Y203-I241 HydrophobicContact CD2-CD1 3.9Å; Y203-I241 HydrophobicContact CD2-CG1 3.94Å; Y203-I241 HydrophobicContact CD2-CG2 4.07Å; Y203-I241 HydrophobicContact CE1-CD1 4.25Å; Y203-I241 HydrophobicContact CE1-CG1 4.32Å; Y203-I241 HydrophobicContact CE2-CD1 4.36Å; Y203-I241 HydrophobicContact CE2-CG1 3.96Å; Y203-I241 HydrophobicContact CE2-CG2 4.47Å; Y203-I241 HydrophobicContact CG-CD1 3.59Å; Y203-I241 HydrophobicContact CG-CG1 4.12Å; I241-K247 CarbonylContact O-C 3.57Å; I241-K247 VanDerWaalsContact O-CA 3.29Å; I241-K247 WeakPolarHBondContact O-CA 3.31Å; I241-L248 HydrophobicContact CB-CB 4.35Å; I241-L248 PolarHBondContact N-O 2.86Å; I241-L248 PolarHBondContact O-N 2.91Å; I241-I250 HydrophobicContact CD1-CB 4.25Å; I241-I250 HydrophobicContact CD1-CG2 4Å; I241-I250 HydrophobicContact CG1-CG2 3.96Å
242D89.1Confident88.8Confident53 Ų5356.2 Ų56.228%0.28330%0.303SS..EExtended strand (participates in β ladder)trans-88121.5177-149.8-46.2000110.2P196 G244 K247P196-D242 WeakPolarHBondContact CD-O 3.11Å; P196-D242 HydrophobicContact CG-CB 4.45Å; D242-G244 WeakPolarHBondContact OD1-CA 3.12Å; D242-G244 PolarHBondContact OD1-N 2.77Å; D242-K247 WeakPolarHBondContact OD2-CE 3.27Å; D242-K247 IonicContact OD2-NZ 2.71Å; D242-K247 PolarHBondContact OD2-NZ 2.99Å
243C85.3Confident89Confident11 Ų1156.5 Ų56.57%0.07430%0.303CS..  trans-102.211.2175.2-56.10000111.8C193 T245 Y246C193-C243 HydrophobicContact CB-CB 3.67Å; C193-C243 WeakPolarHBondContact CB-SG 3.31Å; C193-C243 WeakPolarHBondContact SG-CB 3.12Å; C193-C243 CovalentContact SG-SG 2.04Å; C193-C243 PolarHBondContact SG-SG 2.92Å; C243-T245 PolarHBondContact O-N 3.4Å; C243-Y246 WeakPolarHBondContact CA-O 3.39Å; C243-Y246 HydrophobicContact CB-CD2 4.14Å; C243-Y246 HydrophobicContact CB-CE1 4.44Å; C243-Y246 HydrophobicContact CB-CE2 4.03Å; C243-Y246 HydrophobicContact CB-CG 4.39Å; C243-Y246 VanDerWaalsContact CB-O 3.29Å; C243-Y246 WeakPolarHBondContact CB-O 3.45Å; C243-Y246 PolarHBondContact N-O 2.75Å
244G83.4Confident89.3Confident69 Ų6959.1 Ų59.171%0.71131%0.311SS*.SBendtrans74.4-44.7-178.200000114.5D242D242-G244 WeakPolarHBondContact OD1-CA 3.12Å; D242-G244 PolarHBondContact OD1-N 2.77Å
245T82.4Confident89.5Confident121 Ų12157.6 Ų57.674%0.74230%0.304SS*.SBendtrans-94.5-22.3176.954.30000113.5C243C243-T245 PolarHBondContact O-N 3.4Å
246Y86.9Confident89.6Confident67 Ų6754 Ų5426%0.26329%0.288SS..SBendtrans-155.8172.2175.157.8-91.8000110.1D192 C243 L248D192-Y246 WeakPolarHBondContact OD2-CE1 3.4Å; D192-Y246 PolarHBondContact OD2-OH 2.86Å; C243-Y246 WeakPolarHBondContact CA-O 3.39Å; C243-Y246 HydrophobicContact CB-CD2 4.14Å; C243-Y246 HydrophobicContact CB-CE1 4.44Å; C243-Y246 HydrophobicContact CB-CE2 4.03Å; C243-Y246 HydrophobicContact CB-CG 4.39Å; C243-Y246 VanDerWaalsContact CB-O 3.29Å; C243-Y246 WeakPolarHBondContact CB-O 3.45Å; C243-Y246 PolarHBondContact N-O 2.75Å; Y246-L248 HydrophobicContact CD2-CD2 4.09Å; Y246-L248 HydrophobicContact CD2-CG 4.07Å; Y246-L248 HydrophobicContact CE2-CD1 4.1Å; Y246-L248 HydrophobicContact CE2-CD2 3.73Å; Y246-L248 HydrophobicContact CE2-CG 3.7Å
247K88.8Confident89.6Confident135 Ų13553.6 Ų53.659%0.58729%0.289SS*.EExtended strand (participates in β ladder)trans-116.7140.3174-55.2-166.8-172.8-140.30110.4I241 D242I241-K247 CarbonylContact O-C 3.57Å; I241-K247 VanDerWaalsContact O-CA 3.29Å; I241-K247 WeakPolarHBondContact O-CA 3.31Å; D242-K247 WeakPolarHBondContact OD2-CE 3.27Å; D242-K247 IonicContact OD2-NZ 2.71Å; D242-K247 PolarHBondContact OD2-NZ 2.99Å
248L90.4Very high89.3Confident4 Ų452.2 Ų52.22%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-108.1122.6175.2-70175.1000110.1P190 N240 I241 Y246 Y705 L765 I768P190-L248 HydrophobicContact CG-CD1 3.73Å; N240-L248 WeakPolarHBondContact CA-O 3.46Å; I241-L248 HydrophobicContact CB-CB 4.35Å; I241-L248 PolarHBondContact N-O 2.86Å; I241-L248 PolarHBondContact O-N 2.91Å; Y246-L248 HydrophobicContact CD2-CD2 4.09Å; Y246-L248 HydrophobicContact CD2-CG 4.07Å; Y246-L248 HydrophobicContact CE2-CD1 4.1Å; Y246-L248 HydrophobicContact CE2-CD2 3.73Å; Y246-L248 HydrophobicContact CE2-CG 3.7Å; L248-Y705 HydrophobicContact CB-CE1 4.27Å; L248-Y705 HydrophobicContact CD1-CE1 4.34Å; L248-Y705 HydrophobicContact CD1-CE2 4.24Å; L248-Y705 HydrophobicContact CD2-CE1 4.18Å; L248-Y705 HydrophobicContact CG-CE1 4.5Å; L248-L765 HydrophobicContact CD2-CD2 4.18Å; L248-I768 HydrophobicContact CD2-CD1 3.91Å
249P92.6Very high89Confident40 Ų4052.3 Ų52.326%0.2628%0.278SS..EExtended strand (participates in β ladder)trans-74.4141.9170.131.7-33.4000110.3Y705 V707 L765P249-Y705 PolarHBondContact O-OH 2.83Å; P249-V707 HydrophobicContact CB-CG1 4.3Å; P249-V707 HydrophobicContact CG-CG1 4.24Å; P249-V707 HydrophobicContact CG-CG2 4.1Å; P249-V707 WeakPolarHBondContact O-CG2 3.34Å; P249-L765 HydrophobicContact CG-CB 4.12Å; P249-L765 HydrophobicContact CG-CD2 4.23Å
250I91.4Very high88.4Confident1 Ų155.8 Ų55.81%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-139141.2171.7-166.170.6000109.7I187 Y203 R239 I241 Y705 N706 V707 P709I187-I250 HydrophobicContact CD1-CD1 3.41Å; I187-I250 VanDerWaalsContact CD1-CD1 3.41Å; I187-I250 HydrophobicContact CD1-CG1 3.7Å; Y203-I250 HydrophobicContact CD1-CG2 4.43Å; Y203-I250 HydrophobicContact CE1-CG2 3.95Å; R239-I250 HydrophobicContact CB-CG2 3.91Å; R239-I250 PolarHBondContact N-O 3.11Å; R239-I250 PolarHBondContact O-N 3.45Å; I241-I250 HydrophobicContact CD1-CB 4.25Å; I241-I250 HydrophobicContact CD1-CG2 4Å; I241-I250 HydrophobicContact CG1-CG2 3.96Å; I250-Y705 HydrophobicContact CD1-CE2 4.28Å; I250-N706 VanDerWaalsContact CD1-O 3.26Å; I250-N706 WeakPolarHBondContact CD1-O 3.4Å; I250-V707 CarbonylContact C-O 3.56Å; I250-P709 HydrophobicContact CD1-CG 4.24Å
251R91.7Very high87.6Confident66 Ų6651.9 Ų51.925%0.24928%0.277CS..EExtended strand (participates in β ladder)trans-83.1121.2161.3-66.8-59-147.1163.418108.3M236 E237 S238 V707 V708 P709 D721M236-R251 HydrophobicContact CB-CB 4.45Å; M236-R251 HydrophobicContact CE-CB 4.43Å; M236-R251 HydrophobicContact SD-CB 3.98Å; E237-R251 WeakPolarHBondContact O-CA 3.27Å; S238-R251 PolarHBondContact OG-NH1 2.76Å; R251-V707 PolarHBondContact N-O 2.92Å; R251-V708 HydrophobicContact CG-CG2 3.98Å; R251-P709 WeakPolarHBondContact O-CD 3.27Å; R251-P709 WeakPolarHBondContact O-CG 3.39Å; R251-D721 IonicContact CZ-OD2 2.64Å; R251-D721 IonicContact NE-OD1 3.61Å; R251-D721 IonicContact NE-OD2 2.64Å; R251-D721 PolarHBondContact NE-OD2 3.47Å; R251-D721 IonicContact NH2-OD2 2.7Å; R251-D721 PolarHBondContact NH2-OD2 2.92Å
252A91.1Very high86.5Confident0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-107.4143.8174.300000110A205 M236 E237 R239A205-A252 CarbonylContact O-C 3.3Å; A205-A252 VanDerWaalsContact O-CA 3.23Å; A205-A252 WeakPolarHBondContact O-CA 3.45Å; A205-A252 WeakPolarHBondContact O-CB 3.26Å; M236-A252 CarbonylContact C-O 3.55Å; M236-A252 VanDerWaalsContact CA-O 3.25Å; M236-A252 WeakPolarHBondContact CA-O 3.27Å; E237-A252 PolarHBondContact N-O 2.92Å; E237-A252 PolarHBondContact O-N 2.78Å; R239-A252 HydrophobicContact CG-CB 4.12Å
253V90.3Very high85.2Confident13 Ų1358 Ų588%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-68.7132.5174.6-178.90000109.2P182 A205 G206 C208 V233P182-V253 HydrophobicContact CB-CB 4.11Å; P182-V253 HydrophobicContact CB-CG1 3.75Å; P182-V253 HydrophobicContact CG-CB 4.5Å; P182-V253 HydrophobicContact CG-CG1 4.21Å; A205-V253 PolarHBondContact O-N 3.4Å; G206-V253 WeakPolarHBondContact O-CG2 3.49Å; C208-V253 VanDerWaalsContact SG-CG1 3.59Å; V233-V253 HydrophobicContact CG1-CG1 4.35Å; V233-V253 HydrophobicContact CG1-CG2 4.45Å; V233-V253 HydrophobicContact CG2-CG1 4.25Å; V233-V253 HydrophobicContact CG2-CG2 3.83Å
254K90.9Very high83.9Confident90 Ų9060 Ų6039%0.39132%0.321SS..EExtended strand (participates in β ladder)trans-110.5-42.8179.7178.1174172.3-112.60112.1E235 E237E235-K254 HydrophobicContact CB-CB 4.43Å; E235-K254 HydrophobicContact CG-CD 4.37Å; E235-K254 PolarHBondContact O-N 3.2Å; E235-K254 IonicContact OE1-NZ 2.76Å; E235-K254 PolarHBondContact OE1-NZ 2.91Å; E235-K254 IonicContact OE2-NZ 3.96Å; E235-K254 PolarHBondContact OE2-NZ 2.63Å; E237-K254 HydrophobicContact CB-CD 4.34Å; E237-K254 HydrophobicContact CG-CB 4.29Å; E237-K254 HydrophobicContact CG-CD 4.49Å; E237-K254 WeakPolarHBondContact OE2-CD 3.39Å
255Q90.9Very high82.8Confident77 Ų7760.1 Ų60.136%0.3631%0.308SS..EExtended strand (participates in β ladder)trans-144.7146.3-178.3-174.3169.1-28.700111.5Q234 E235Q234-Q255 HydrophobicContact CB-CG 4.4Å; Q234-Q255 WeakPolarHBondContact CB-O 3.28Å; Q234-Q255 PolarHBondContact N-O 2.86Å; E235-Q255 HydrophobicContact CB-CB 4.2Å; E235-Q255 PolarHBondContact N-O 3.34Å; E235-Q255 VanDerWaalsContact N-O 3.15Å; E235-Q255 PolarHBondContact O-N 3Å
256C90.4Very high82Confident4 Ų455.2 Ų55.23%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-118.1150.5-179.8-58.30000112.2N179 A180 C208 G232N179-C256 WeakPolarHBondContact O-CB 3.25Å; A180-C256 PolarHBondContact O-N 2.93Å; C208-C256 WeakPolarHBondContact CA-SG 3.44Å; C208-C256 HydrophobicContact CB-CB 3.75Å; C208-C256 WeakPolarHBondContact CB-SG 3.4Å; C208-C256 VanDerWaalsContact SG-CA 3.56Å; C208-C256 WeakPolarHBondContact SG-CB 3.31Å; C208-C256 CovalentContact SG-SG 2.03Å; C208-C256 PolarHBondContact SG-SG 3.49Å; G232-C256 CarbonylContact O-C 3.49Å; G232-C256 VanDerWaalsContact O-CA 3.25Å; G232-C256 WeakPolarHBondContact O-CA 3.39Å
257S88.8Confident81.1Confident33 Ų3352.2 Ų52.223%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-150.4169.6176.7710000113.1C231 G232C231-S257 WeakPolarHBondContact CA-O 3.36Å; G232-S257 PolarHBondContact N-O 3.19Å; G232-S257 PolarHBondContact O-N 3.25Å
258C87.6Confident80.4Confident40 Ų4045.8 Ų45.827%0.2724%0.238SC..EExtended strand (participates in β ladder)trans-80.6115.3173.2-174.40000109.8A177 C178 C213A177-C258 HydrophobicContact CB-CB 4.42Å; C178-C258 WeakPolarHBondContact SG-CA 3.35Å; C178-C258 VanDerWaalsContact SG-CB 3.52Å; C178-C258 PolarHBondContact SG-N 3.35Å; C178-C258 VanDerWaalsContact SG-N 3.42Å; C213-C258 HydrophobicContact CB-CB 3.93Å; C213-C258 WeakPolarHBondContact CB-SG 3.45Å; C213-C258 VanDerWaalsContact SG-CA 3.5Å; C213-C258 WeakPolarHBondContact SG-CB 3.4Å; C213-C258 CovalentContact SG-SG 2.04Å; C213-C258 PolarHBondContact SG-SG 3.01Å
259Q83.8Confident79.7Confident82 Ų8247.6 Ų47.638%0.38324%0.244SC..EExtended strand (participates in β ladder)trans-129.6172.3-179.662.2176.6100111.4F229 C230 C261F229-Q259 CarbonylContact C-O 3.56Å; F229-Q259 WeakPolarHBondContact CA-O 3.21Å; F229-Q259 WeakPolarHBondContact CB-O 3.12Å; C230-Q259 PolarHBondContact N-O 2.87Å; C230-Q259 PolarHBondContact O-N 3Å; C230-Q259 VanDerWaalsContact O-O 3.09Å; Q259-C261 PolarHBondContact O-N 2.85Å
260K79.8Confident79Confident150 Ų15045.9 Ų45.965%0.65223%0.234SC*.EExtended strand (participates in β ladder)trans-64.7131.5175.3-68180179.2177.90109.5F229 V262F229-K260 HydrophobicContact CD1-CG 4.34Å; F229-K260 HydrophobicContact CE1-CG 3.94Å; F229-K260 HydrophobicContact CZ-CG 4.29Å; K260-V262 PolarHBondContact O-N 3.47Å
261C74.5Confident78.6Confident30 Ų3049.3 Ų49.320%0.20325%0.247CC..  trans-63.2132.9172-53.80000109.6G228 C230 Q259 Q263G228-C261 PolarHBondContact O-N 2.85Å; G228-C261 PolarHBondContact O-SG 2.69Å; C230-C261 HydrophobicContact CB-CB 4Å; C230-C261 WeakPolarHBondContact CB-SG 3.22Å; C230-C261 PolarHBondContact N-SG 2.82Å; C230-C261 WeakPolarHBondContact SG-CB 3.36Å; C230-C261 CovalentContact SG-SG 2.04Å; C230-C261 PolarHBondContact SG-SG 3.08Å; Q259-C261 PolarHBondContact O-N 2.85Å; C261-Q263 PolarHBondContact O-N 3.13Å
262V66.9Low78.5Confident65 Ų6546.1 Ų46.139%0.39424%0.235SC..  trans-72.6111160.5178.60000106.7K260 P264 T716K260-V262 PolarHBondContact O-N 3.47Å; V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.38Å; V262-T716 HydrophobicContact CB-CG2 4.22Å; V262-T716 WeakPolarHBondContact O-CG2 3.33Å
263Q61.6Low78.5Confident121 Ų12146.1 Ų46.157%0.56524%0.235SC*.  trans-85.5113.1175.8-72.6-174-33.800109.5C261C261-Q263 PolarHBondContact O-N 3.13Å
264P58.4Low78.5Confident53 Ų5345.5 Ų45.534%0.34423%0.231SC..  trans-67.8144.9172.829.8-34.9000110.1V262 V266 L715V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-V266 PolarHBondContact O-N 3.25Å; P264-L715 HydrophobicContact CB-CD1 3.92Å; P264-L715 HydrophobicContact CB-CG 4.38Å
265T60.1Low78.2Confident71 Ų7142.5 Ų42.544%0.43622%0.223SC..  trans-72.5119.7163.250.60000108.3L267T265-L267 PolarHBondContact O-N 3.4Å; T265-L267 VanDerWaalsContact O-N 3.15Å
266V65.7Low78Confident18 Ų1843.7 Ų43.711%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-75.1109.8175.1179.70000107.6P264 I306 P308P264-V266 PolarHBondContact O-N 3.25Å; V266-I306 HydrophobicContact CB-CB 4.47Å; V266-I306 PolarHBondContact O-N 3.05Å; V266-P308 HydrophobicContact CG2-CB 4.31Å; V266-P308 HydrophobicContact CG2-CG 4.33Å
267L68.3Low77.8Confident4 Ų447.9 Ų47.92%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-101.5104.8177.4-59.8-174.1000109.7T265 L304 Q305 S339 Q863T265-L267 PolarHBondContact O-N 3.4Å; T265-L267 VanDerWaalsContact O-N 3.15Å; L267-L304 WeakPolarHBondContact CA-O 3.25Å; L267-Q305 HydrophobicContact CD2-CB 4.21Å; L267-Q305 HydrophobicContact CD2-CG 3.65Å; L267-S339 WeakPolarHBondContact O-CA 3.3Å; L267-S339 WeakPolarHBondContact O-CB 3.42Å; L267-Q863 HydrophobicContact CD1-CB 3.84Å; L267-Q863 HydrophobicContact CD1-CG 4.26Å
268V73.9Confident77.6Confident0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-84.2121.5169.3172.30000108.1F302 T303 L304 I306 F333V268-F302 HydrophobicContact CG1-CE2 4.27Å; V268-T303 CarbonylContact O-C 3.6Å; V268-T303 WeakPolarHBondContact O-CA 3.44Å; V268-L304 PolarHBondContact N-O 2.96Å; V268-L304 PolarHBondContact O-N 3.07Å; V268-I306 HydrophobicContact CB-CD1 3.49Å; V268-I306 VanDerWaalsContact CB-CD1 3.49Å; V268-I306 HydrophobicContact CG2-CD1 3.27Å; V268-F333 HydrophobicContact CG2-CE1 3.55Å; V268-F333 HydrophobicContact CG2-CE2 4.37Å; V268-F333 HydrophobicContact CG2-CZ 3.44Å; V268-F333 VanDerWaalsContact CG2-CZ 3.44Å
269R74.6Confident77.8Confident41 Ų4151.1 Ų51.116%0.15526%0.264CS..EExtended strand (participates in β ladder)trans-118.4166.4178.7-62.6-160.3166.9120.9-12.5109.9F302 T303 I340 Y341 H342 D862R269-F302 WeakPolarHBondContact CA-O 3.06Å; R269-T303 WeakPolarHBondContact CD-OG1 3.34Å; R269-T303 HydrophobicContact CG-CG2 4.01Å; R269-T303 WeakPolarHBondContact CG-OG1 3.47Å; R269-T303 PolarHBondContact NE-OG1 2.67Å; R269-T303 VanDerWaalsContact NE-OG1 3.15Å; R269-I340 PolarHBondContact N-O 2.88Å; R269-Y341 HydrophobicContact CB-CD2 4.44Å; R269-Y341 CarbonylContact O-C 3.54Å; R269-Y341 WeakPolarHBondContact O-CA 3.04Å; R269-H342 PolarHBondContact O-N 3.15Å; R269-D862 IonicContact CZ-OD1 2.8Å; R269-D862 VanDerWaalsContact CZ-OD1 3.31Å; R269-D862 IonicContact CZ-OD2 3.54Å; R269-D862 VanDerWaalsContact CZ-OD2 3.29Å; R269-D862 IonicContact NH1-OD1 2.75Å; R269-D862 PolarHBondContact NH1-OD1 3.41Å; R269-D862 IonicContact NH1-OD2 3.38Å; R269-D862 PolarHBondContact NH1-OD2 3.23Å; R269-D862 IonicContact NH2-OD1 3.06Å; R269-D862 PolarHBondContact NH2-OD1 3.33Å; R269-D862 IonicContact NH2-OD2 2.72Å; R269-D862 PolarHBondContact NH2-OD2 3.2Å
270G77.7Confident78Confident4 Ų448.2 Ų48.24%0.04125%0.253CS..EExtended strand (participates in β ladder)trans172.7-169.717500000113G301 F302 H342G270-G301 CarbonylContact O-C 3.5Å; G270-G301 VanDerWaalsContact O-CA 3.27Å; G270-G301 WeakPolarHBondContact O-CA 3.46Å; G270-F302 VanDerWaalsContact C-CD1 3.49Å; G270-F302 VanDerWaalsContact C-CE1 3.44Å; G270-F302 PolarHBondContact N-O 2.84Å; G270-F302 WeakPolarHBondContact O-CD1 3.45Å; G270-F302 PolarHBondContact O-N 3.23Å; G270-H342 CarbonylContact C-O 3.55Å; G270-H342 WeakPolarHBondContact CA-O 3.48Å
271R83.9Confident78.6Confident73 Ų7341.3 Ų41.328%0.27522%0.222SC..EExtended strand (participates in β ladder)trans-133137.2173-164-171.9-167.7-157.59.9108.4V273 Q299 G300 Y341 H342 V344R271-V273 HydrophobicContact CG-CG1 3.74Å; R271-Q299 VanDerWaalsContact CG-O 3.3Å; R271-Q299 WeakPolarHBondContact CG-O 3.32Å; R271-Q299 PolarHBondContact NE-O 2.86Å; R271-G300 CarbonylContact C-O 3.49Å; R271-G300 WeakPolarHBondContact CA-O 3.25Å; R271-Y341 WeakPolarHBondContact CB-OH 3.5Å; R271-H342 PolarHBondContact N-O 3.32Å; R271-V344 PolarHBondContact O-N 3.04Å
272V89.7Confident79.5Confident0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-101.3120.6170.7-167.20000108.2P280 L281 T296 G300 F302 F317 V344 V346V272-P280 WeakPolarHBondContact O-CA 3.31Å; V272-L281 HydrophobicContact CB-CB 4.07Å; V272-L281 HydrophobicContact CB-CD2 4.33Å; V272-L281 HydrophobicContact CG1-CB 3.86Å; V272-L281 HydrophobicContact CG1-CD2 3.72Å; V272-L281 HydrophobicContact CG1-CG 4.44Å; V272-L281 PolarHBondContact O-N 2.81Å; V272-T296 HydrophobicContact CB-CG2 4.3Å; V272-T296 HydrophobicContact CG2-CG2 3.8Å; V272-G300 PolarHBondContact N-O 2.66Å; V272-F302 HydrophobicContact CG2-CD1 3.73Å; V272-F302 HydrophobicContact CG2-CE1 3.84Å; V272-F317 HydrophobicContact CG2-CD1 3.59Å; V272-F317 HydrophobicContact CG2-CE1 3.52Å; V272-F317 HydrophobicContact CG2-CG 4.25Å; V272-F317 HydrophobicContact CG2-CZ 4.15Å; V272-V344 WeakPolarHBondContact CA-O 3.17Å; V272-V344 HydrophobicContact CG1-CB 4.38Å; V272-V344 HydrophobicContact CG1-CG1 4.3Å; V272-V344 HydrophobicContact CG2-CB 4.27Å; V272-V346 HydrophobicContact CG1-CG1 3.57Å; V272-V346 HydrophobicContact CG1-CG2 4.12Å
273V89.9Confident80.6Confident0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-136155.2-180-55.40000111.7R271 D278 E279 V344 K345 V346R271-V273 HydrophobicContact CG-CG1 3.74Å; V273-D278 HydrophobicContact CG2-CB 4.39Å; V273-E279 CarbonylContact C-O 3.58Å; V273-E279 VanDerWaalsContact CA-O 3.26Å; V273-E279 WeakPolarHBondContact CA-O 3.44Å; V273-V344 PolarHBondContact N-O 3.33Å; V273-K345 HydrophobicContact CG2-CD 3.65Å; V273-K345 VanDerWaalsContact CG2-NZ 3.32Å; V273-K345 CarbonylContact O-C 3.49Å; V273-K345 VanDerWaalsContact O-CA 3.31Å; V273-K345 WeakPolarHBondContact O-CA 3.39Å; V273-V346 PolarHBondContact O-N 2.78Å
274A90.3Very high82.1Confident0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-61.6142.1173.400000111.4D276 D278 E279 Y324 V346A274-D276 VanDerWaalsContact C-N 3.28Å; A274-D276 WeakPolarHBondContact CB-OD1 3.4Å; A274-D276 PolarHBondContact O-N 2.81Å; A274-D278 WeakPolarHBondContact O-CA 3.11Å; A274-D278 PolarHBondContact O-N 2.82Å; A274-E279 HydrophobicContact CB-CB 4.29Å; A274-E279 PolarHBondContact N-O 3.42Å; A274-Y324 HydrophobicContact CB-CE1 3.6Å; A274-V346 WeakPolarHBondContact CA-O 3.49Å
275A86.4Confident83.8Confident27 Ų2740.8 Ų40.822%0.22320%0.203CC..THydrogen-bonded Turntrans-72.1-18.5-178.500000114.4K345 V346 M347 A413A275-K345 HydrophobicContact CB-CB 4.2Å; A275-V346 PolarHBondContact N-O 2.91Å; A275-M347 HydrophobicContact CB-SD 3.64Å; A275-A413 HydrophobicContact CB-CB 3.78Å
276D85.7Confident85.4Confident101 Ų10137.5 Ų37.554%0.5418%0.182SC..THydrogen-bonded Turntrans-92.8-39.9-173.664.1-38.6000113.7A274 R348A274-D276 VanDerWaalsContact C-N 3.28Å; A274-D276 WeakPolarHBondContact CB-OD1 3.4Å; A274-D276 PolarHBondContact O-N 2.81Å; D276-R348 VanDerWaalsContact CG-NE 3.3Å; D276-R348 IonicContact OD1-CZ 3Å; D276-R348 IonicContact OD1-NE 3.85Å; D276-R348 PolarHBondContact OD1-NE 3.15Å; D276-R348 IonicContact OD1-NH2 2.85Å; D276-R348 IonicContact OD2-CZ 3.78Å; D276-R348 IonicContact OD2-NE 2.68Å; D276-R348 PolarHBondContact OD2-NE 3.2Å; D276-R348 IonicContact OD2-NH2 2.8Å
277N87Confident86.6Confident92 Ų9239.7 Ų39.749%0.49219%0.189SC..THydrogen-bonded Turntrans-140.610.2-169.669.85.8000115.2E279 R348N277-E279 PolarHBondContact O-N 3.17Å; N277-E279 VanDerWaalsContact O-N 3.12Å; N277-E279 WeakPolarHBondContact OD1-CB 3.4Å; N277-E279 PolarHBondContact OD1-N 3.1Å; N277-R348 VanDerWaalsContact CG-NH2 3.33Å; N277-R348 PolarHBondContact ND2-NH2 3.25Å; N277-R348 PolarHBondContact OD1-NH2 2.71Å
278D84.6Confident87.6Confident75 Ų7542 Ų4240%0.40120%0.201SC..  trans56.220.9-177.4-78.124.2000115.1V273 A274 K345V273-D278 HydrophobicContact CG2-CB 4.39Å; A274-D278 WeakPolarHBondContact O-CA 3.11Å; A274-D278 PolarHBondContact O-N 2.82Å; D278-K345 IonicContact OD1-NZ 3.5Å; D278-K345 PolarHBondContact OD1-NZ 2.94Å; D278-K345 IonicContact OD2-NZ 2.67Å; D278-K345 PolarHBondContact OD2-NZ 2.82Å
279E90.3Very high88Confident66 Ų6643.5 Ų43.531%0.30822%0.216SC..  trans-62.5132.3170.8-178.7174.1-152.700110.5V273 A274 N277 R282 Y324 R348V273-E279 CarbonylContact C-O 3.58Å; V273-E279 VanDerWaalsContact CA-O 3.26Å; V273-E279 WeakPolarHBondContact CA-O 3.44Å; A274-E279 HydrophobicContact CB-CB 4.29Å; A274-E279 PolarHBondContact N-O 3.42Å; N277-E279 PolarHBondContact O-N 3.17Å; N277-E279 VanDerWaalsContact O-N 3.12Å; N277-E279 WeakPolarHBondContact OD1-CB 3.4Å; N277-E279 PolarHBondContact OD1-N 3.1Å; E279-R282 IonicContact OE1-NH2 3.41Å; E279-R282 PolarHBondContact OE1-NH2 3.26Å; E279-Y324 PolarHBondContact OE2-OH 3.26Å; E279-R348 IonicContact OE2-CZ 3.13Å; E279-R348 IonicContact OE2-NH1 3.63Å; E279-R348 PolarHBondContact OE2-NH1 3Å; E279-R348 IonicContact OE2-NH2 2.63Å; E279-R348 PolarHBondContact OE2-NH2 3.42Å
280P89.5Confident88.3Confident22 Ų2249.6 Ų49.614%0.14324%0.244CC..BIsolated β-bridgetrans-72.8137.5-179.9-16.531.4000113.9V272 R282 Q299V272-P280 WeakPolarHBondContact O-CA 3.31Å; P280-R282 WeakPolarHBondContact O-CG 3.34Å; P280-R282 PolarHBondContact O-N 3.04Å; P280-R282 VanDerWaalsContact O-N 3.13Å; P280-Q299 WeakPolarHBondContact CB-O 3.28Å
281L92.3Very high88.7Confident4 Ų455.3 Ų55.32%0.02127%0.274CS..  trans-69.7104.4164.2176.867.9000108.3V272 T296 G300 D319 Y324V272-L281 HydrophobicContact CB-CB 4.07Å; V272-L281 HydrophobicContact CB-CD2 4.33Å; V272-L281 HydrophobicContact CG1-CB 3.86Å; V272-L281 HydrophobicContact CG1-CD2 3.72Å; V272-L281 HydrophobicContact CG1-CG 4.44Å; V272-L281 PolarHBondContact O-N 2.81Å; L281-T296 WeakPolarHBondContact O-CB 3.4Å; L281-T296 PolarHBondContact O-OG1 2.72Å; L281-G300 WeakPolarHBondContact O-CA 3.48Å; L281-D319 HydrophobicContact CD1-CB 3.88Å; L281-Y324 HydrophobicContact CD1-CD2 3.57Å; L281-Y324 HydrophobicContact CD1-CE2 3.99Å; L281-Y324 HydrophobicContact CD1-CG 4.38Å
282R92.1Very high89.1Confident95 Ų9558.2 Ų58.236%0.35828%0.284SS..  trans-93.4129.4-174.5-37.6-172.1-158.7174.411.3110E279 P280 G284 Y298E279-R282 IonicContact OE1-NH2 3.41Å; E279-R282 PolarHBondContact OE1-NH2 3.26Å; P280-R282 WeakPolarHBondContact O-CG 3.34Å; P280-R282 PolarHBondContact O-N 3.04Å; P280-R282 VanDerWaalsContact O-N 3.13Å; R282-G284 PolarHBondContact O-N 3Å; R282-G284 VanDerWaalsContact O-N 3.14Å; R282-Y298 WeakPolarHBondContact CD-O 3.2Å; R282-Y298 WeakPolarHBondContact CG-O 3.22Å; R282-Y298 PolarHBondContact NH1-OH 3.04Å; R282-Y298 VanDerWaalsContact NH1-OH 3.15Å
283F91.7Very high89.1Confident123 Ų12361.5 Ų61.554%0.53930%0.304SS..SBendtrans59.320.2178.8-44-69.2000115T296 Y298F283-T296 VanDerWaalsContact CA-O 3.24Å; F283-T296 WeakPolarHBondContact CA-O 3.16Å; F283-T296 PolarHBondContact N-O 3.09Å; F283-T296 VanDerWaalsContact N-O 3.15Å; F283-T296 PolarHBondContact N-OG1 2.97Å; F283-T296 VanDerWaalsContact N-OG1 3.12Å; F283-Y298 HydrophobicContact CE2-CD2 4.37Å; F283-Y298 HydrophobicContact CZ-CD2 4.3Å
284G92.4Very high89.1Confident0 Ų062.7 Ų62.70%032%0.317CS..  trans-59.1141.4172.600000110.6R282 T295 T296 V318R282-G284 PolarHBondContact O-N 3Å; R282-G284 VanDerWaalsContact O-N 3.14Å; G284-T295 CarbonylContact O-C 3.34Å; G284-T295 WeakPolarHBondContact O-CA 3.39Å; G284-T296 PolarHBondContact N-OG1 3.41Å; G284-T296 PolarHBondContact O-N 2.96Å; G284-V318 CarbonylContact C-O 3.5Å; G284-V318 WeakPolarHBondContact CA-O 3.3Å
285H94.6Very high89.2Confident41 Ų4166 Ų6619%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-79.4141.4178.9-65.8177.6000110.4Y287 R292 V318H285-Y287 HydrophobicContact CB-CD2 4.25Å; H285-Y287 HydrophobicContact CB-CE2 3.5Å; H285-R292 PolarHBondContact CD2-NH2 2.02Å; H285-R292 PolarHBondContact CE1-NH1 3.03Å; H285-R292 VanDerWaalsContact CE1-NH1 3.31Å; H285-R292 PolarHBondContact NE2-NH1 3.44Å; H285-R292 PolarHBondContact NE2-NH2 3.18Å; H285-V318 HydrophobicContact CB-CB 4.31Å; H285-V318 PolarHBondContact N-O 2.87Å; H285-V318 PolarHBondContact O-N 3.45Å
286I93.7Very high89.4Confident2 Ų264.8 Ų64.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-118.6123.4-179.3-48.7176.6000108.6V293 G294 T296 F302 L304 V315 F317I286-V293 HydrophobicContact CB-CG2 4.29Å; I286-V293 HydrophobicContact CG2-CG2 3.91Å; I286-V293 WeakPolarHBondContact O-CG2 2.97Å; I286-V293 PolarHBondContact O-N 3.32Å; I286-G294 PolarHBondContact N-O 2.92Å; I286-G294 PolarHBondContact O-N 2.85Å; I286-T296 HydrophobicContact CD1-CG2 4.05Å; I286-T296 HydrophobicContact CG1-CG2 4.29Å; I286-F302 HydrophobicContact CD1-CB 3.63Å; I286-F302 HydrophobicContact CD1-CG 4.33Å; I286-L304 HydrophobicContact CG2-CD1 4.42Å; I286-L304 HydrophobicContact CG2-CD2 4.2Å; I286-V315 HydrophobicContact CG2-CG1 3.36Å; I286-F317 HydrophobicContact CD1-CE1 4.14Å; I286-F317 HydrophobicContact CG1-CD1 4.05Å; I286-F317 HydrophobicContact CG1-CE1 4.06Å; I286-F317 HydrophobicContact CG2-CD1 4.38Å; I286-F317 HydrophobicContact CG2-CE1 4.05Å
287Y91.1Very high89.3Confident63 Ų6361.5 Ų61.525%0.24732%0.317CS..EExtended strand (participates in β ladder)trans-120.2145.3179.2-62.5-98000111.1H285 D291 R292 V315 N316 V318H285-Y287 HydrophobicContact CB-CD2 4.25Å; H285-Y287 HydrophobicContact CB-CE2 3.5Å; Y287-D291 VanDerWaalsContact CA-O 3.29Å; Y287-D291 WeakPolarHBondContact CA-O 3.01Å; Y287-R292 HydrophobicContact CD1-CB 3.88Å; Y287-R292 HydrophobicContact CD1-CG 4.46Å; Y287-R292 HydrophobicContact CE1-CB 3.66Å; Y287-R292 HydrophobicContact CE1-CG 4.13Å; Y287-V315 WeakPolarHBondContact O-CA 3.4Å; Y287-N316 PolarHBondContact N-O 2.9Å; Y287-N316 PolarHBondContact O-N 3.42Å; Y287-V318 HydrophobicContact CD2-CB 4.28Å; Y287-V318 HydrophobicContact CD2-CG2 3.92Å; Y287-V318 HydrophobicContact CE2-CB 3.98Å; Y287-V318 HydrophobicContact CE2-CG1 4.4Å; Y287-V318 HydrophobicContact CE2-CG2 3.96Å
288I88.3Confident89.1Confident53 Ų5364.5 Ų64.527%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-120.1111.5166.1-68.9171000106.1K290 D291 V293 L304 L313 V315I288-K290 PolarHBondContact O-N 2.95Å; I288-D291 PolarHBondContact N-O 3Å; I288-D291 PolarHBondContact O-N 3.43Å; I288-V293 HydrophobicContact CB-CG1 4.08Å; I288-V293 HydrophobicContact CB-CG2 4.5Å; I288-V293 HydrophobicContact CD1-CB 4.42Å; I288-V293 HydrophobicContact CD1-CG1 4.05Å; I288-V293 HydrophobicContact CD1-CG2 3.91Å; I288-V293 HydrophobicContact CG1-CG1 4.19Å; I288-V293 HydrophobicContact CG1-CG2 3.87Å; I288-L304 HydrophobicContact CD1-CD1 4.39Å; I288-L313 HydrophobicContact CD1-CD1 3.91Å; I288-L313 HydrophobicContact CD1-CD2 4.46Å; I288-L313 HydrophobicContact CG1-CD1 4.16Å; I288-L313 HydrophobicContact CG2-CD1 3.9Å; I288-V315 HydrophobicContact CG1-CG2 4.24Å
289G81.5Confident88.8Confident31 Ų3164.7 Ų64.732%0.3232%0.321SS..THydrogen-bonded Turntrans52.8-124.8-160.100000110.6D480G289-D480 VanDerWaalsContact CA-OD1 3.27Å; G289-D480 WeakPolarHBondContact CA-OD1 3.09Å
290K81.2Confident88.5Confident169 Ų16961.6 Ų61.674%0.73531%0.307SS*.THydrogen-bonded Turntrans-92.4-8.5-177.2-59.2177.5-171.8173.60113.6I288 D480I288-K290 PolarHBondContact O-N 2.95Å; K290-D480 WeakPolarHBondContact CE-OD2 3.39Å; K290-D480 IonicContact NZ-OD2 2.65Å; K290-D480 PolarHBondContact NZ-OD2 2.7Å
291D87.7Confident88.2Confident125 Ų12562 Ų6267%0.66832%0.315SS*.EExtended strand (participates in β ladder)trans-88.3128.4-178.8-71.7-43.8000111.8Y287 I288 V293Y287-D291 VanDerWaalsContact CA-O 3.29Å; Y287-D291 WeakPolarHBondContact CA-O 3.01Å; I288-D291 PolarHBondContact N-O 3Å; I288-D291 PolarHBondContact O-N 3.43Å; D291-V293 PolarHBondContact O-N 2.76Å
292R90.6Very high87.9Confident134 Ų13462.4 Ų62.451%0.50632%0.317SS..EExtended strand (participates in β ladder)trans-80.4104175.2-175.7-178.4171.9165.82.3110.1H285 Y287H285-R292 PolarHBondContact CD2-NH2 2.02Å; H285-R292 PolarHBondContact CE1-NH1 3.03Å; H285-R292 VanDerWaalsContact CE1-NH1 3.31Å; H285-R292 PolarHBondContact NE2-NH1 3.44Å; H285-R292 PolarHBondContact NE2-NH2 3.18Å; Y287-R292 HydrophobicContact CD1-CB 3.88Å; Y287-R292 HydrophobicContact CD1-CG 4.46Å; Y287-R292 HydrophobicContact CE1-CB 3.66Å; Y287-R292 HydrophobicContact CE1-CG 4.13Å
293V90.1Very high87.4Confident68 Ų6861.4 Ų61.441%0.41232%0.321SS..EExtended strand (participates in β ladder)trans-91.9-16.1-174.8-64.40000114.5I286 I288 D291 L304I286-V293 HydrophobicContact CB-CG2 4.29Å; I286-V293 HydrophobicContact CG2-CG2 3.91Å; I286-V293 WeakPolarHBondContact O-CG2 2.97Å; I286-V293 PolarHBondContact O-N 3.32Å; I288-V293 HydrophobicContact CB-CG1 4.08Å; I288-V293 HydrophobicContact CB-CG2 4.5Å; I288-V293 HydrophobicContact CD1-CB 4.42Å; I288-V293 HydrophobicContact CD1-CG1 4.05Å; I288-V293 HydrophobicContact CD1-CG2 3.91Å; I288-V293 HydrophobicContact CG1-CG1 4.19Å; I288-V293 HydrophobicContact CG1-CG2 3.87Å; D291-V293 PolarHBondContact O-N 2.76Å; V293-L304 HydrophobicContact CB-CD2 4.32Å; V293-L304 HydrophobicContact CG2-CD2 3.61Å
294G89.8Confident87Confident26 Ų2656 Ų5627%0.26830%0.298SS..EExtended strand (participates in β ladder)trans176-162177.300000115.8I286I286-G294 PolarHBondContact N-O 2.92Å; I286-G294 PolarHBondContact O-N 2.85Å
295T92.1Very high86.2Confident69 Ų6963.2 Ų63.242%0.42333%0.332SS..EExtended strand (participates in β ladder)trans-143.3153.2173.652.20000111.4G284G284-T295 CarbonylContact O-C 3.34Å; G284-T295 WeakPolarHBondContact O-CA 3.39Å
296T91Very high85.4Confident1 Ų162.1 Ų62.11%0.00633%0.327CS..  trans-74.4147.8172.564.20000111.8V272 L281 F283 G284 I286 G301V272-T296 HydrophobicContact CB-CG2 4.3Å; V272-T296 HydrophobicContact CG2-CG2 3.8Å; L281-T296 WeakPolarHBondContact O-CB 3.4Å; L281-T296 PolarHBondContact O-OG1 2.72Å; F283-T296 VanDerWaalsContact CA-O 3.24Å; F283-T296 WeakPolarHBondContact CA-O 3.16Å; F283-T296 PolarHBondContact N-O 3.09Å; F283-T296 VanDerWaalsContact N-O 3.15Å; F283-T296 PolarHBondContact N-OG1 2.97Å; F283-T296 VanDerWaalsContact N-OG1 3.12Å; G284-T296 PolarHBondContact N-OG1 3.41Å; G284-T296 PolarHBondContact O-N 2.96Å; I286-T296 HydrophobicContact CD1-CG2 4.05Å; I286-T296 HydrophobicContact CG1-CG2 4.29Å; T296-G301 WeakPolarHBondContact CA-O 3.17Å
297G84.3Confident84.2Confident33 Ų3365.5 Ų65.534%0.3435%0.348SS..  trans-75.4179.8174.400000113.7Q299 G300 G301G297-Q299 VanDerWaalsContact C-N 3.28Å; G297-Q299 PolarHBondContact O-N 2.81Å; G297-G300 WeakPolarHBondContact O-CA 3.44Å; G297-G300 PolarHBondContact O-N 2.75Å; G297-G301 PolarHBondContact N-O 3.07Å
298Y81.8Confident83Confident154 Ų15464.6 Ų64.660%0.60435%0.35SS*.THydrogen-bonded Turntrans-59.6-34.2179.7-178.1-97.3000113.7R282 F283 G300R282-Y298 WeakPolarHBondContact CD-O 3.2Å; R282-Y298 WeakPolarHBondContact CG-O 3.22Å; R282-Y298 PolarHBondContact NH1-OH 3.04Å; R282-Y298 VanDerWaalsContact NH1-OH 3.15Å; F283-Y298 HydrophobicContact CE2-CD2 4.37Å; F283-Y298 HydrophobicContact CZ-CD2 4.3Å; Y298-G300 VanDerWaalsContact C-N 3.28Å; Y298-G300 PolarHBondContact O-N 3.28Å
299Q79.7Confident81.8Confident80 Ų8064.5 Ų64.537%0.37435%0.35SS..THydrogen-bonded Turntrans-87.514.2172.4-62-168.315.200113.4R271 P280 G297 G301R271-Q299 VanDerWaalsContact CG-O 3.3Å; R271-Q299 WeakPolarHBondContact CG-O 3.32Å; R271-Q299 PolarHBondContact NE-O 2.86Å; P280-Q299 WeakPolarHBondContact CB-O 3.28Å; G297-Q299 VanDerWaalsContact C-N 3.28Å; G297-Q299 PolarHBondContact O-N 2.81Å; Q299-G301 PolarHBondContact O-N 2.72Å
300G83.2Confident81.3Confident0 Ų064.7 Ų64.70%035%0.345CS..SBendtrans72.64.7-176.800000115.1R271 V272 L281 G297 Y298R271-G300 CarbonylContact C-O 3.49Å; R271-G300 WeakPolarHBondContact CA-O 3.25Å; V272-G300 PolarHBondContact N-O 2.66Å; L281-G300 WeakPolarHBondContact O-CA 3.48Å; G297-G300 WeakPolarHBondContact O-CA 3.44Å; G297-G300 PolarHBondContact O-N 2.75Å; Y298-G300 VanDerWaalsContact C-N 3.28Å; Y298-G300 PolarHBondContact O-N 3.28Å
301G83.6Confident80.8Confident32 Ų3259.4 Ų59.433%0.3332%0.323SS..EExtended strand (participates in β ladder)trans-67.4145.5179.600000112.9G270 T296 G297 Q299G270-G301 CarbonylContact O-C 3.5Å; G270-G301 VanDerWaalsContact O-CA 3.27Å; G270-G301 WeakPolarHBondContact O-CA 3.46Å; T296-G301 WeakPolarHBondContact CA-O 3.17Å; G297-G301 PolarHBondContact N-O 3.07Å; Q299-G301 PolarHBondContact O-N 2.72Å
302F86.2Confident80.4Confident11 Ų1155.5 Ų55.55%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-139.2164.417569.1-87.3000112.5V268 R269 G270 V272 I286 L304 F317 F331 V344V268-F302 HydrophobicContact CG1-CE2 4.27Å; R269-F302 WeakPolarHBondContact CA-O 3.06Å; G270-F302 VanDerWaalsContact C-CD1 3.49Å; G270-F302 VanDerWaalsContact C-CE1 3.44Å; G270-F302 PolarHBondContact N-O 2.84Å; G270-F302 WeakPolarHBondContact O-CD1 3.45Å; G270-F302 PolarHBondContact O-N 3.23Å; V272-F302 HydrophobicContact CG2-CD1 3.73Å; V272-F302 HydrophobicContact CG2-CE1 3.84Å; I286-F302 HydrophobicContact CD1-CB 3.63Å; I286-F302 HydrophobicContact CD1-CG 4.33Å; F302-L304 HydrophobicContact CD2-CD1 4.34Å; F302-L304 HydrophobicContact CD2-CG 4.24Å; F302-L304 HydrophobicContact CE2-CD1 4.34Å; F302-F317 HydrophobicContact CD1-CE1 4.21Å; F302-F317 HydrophobicContact CD1-CZ 4.46Å; F302-F317 HydrophobicContact CE1-CE1 4.22Å; F302-F317 HydrophobicContact CE1-CZ 4.04Å; F302-F317 HydrophobicContact CE2-CZ 4.1Å; F302-F317 HydrophobicContact CG-CE1 4.36Å; F302-F317 HydrophobicContact CZ-CE1 4.4Å; F302-F317 AromaticContact CZ-CZ 3.85Å; F302-F317 HydrophobicContact CZ-CZ 3.85Å; F302-F331 HydrophobicContact CZ-CZ 4.29Å; F302-V344 HydrophobicContact CE1-CG2 3.94Å; F302-V344 HydrophobicContact CZ-CG2 3.98Å
303T81.5Confident80.1Confident74 Ų7449.8 Ų49.845%0.45428%0.278SS..EExtended strand (participates in β ladder)trans-149.2131.8172.6-66.70000108.6V268 R269V268-T303 CarbonylContact O-C 3.6Å; V268-T303 WeakPolarHBondContact O-CA 3.44Å; R269-T303 WeakPolarHBondContact CD-OG1 3.34Å; R269-T303 HydrophobicContact CG-CG2 4.01Å; R269-T303 WeakPolarHBondContact CG-OG1 3.47Å; R269-T303 PolarHBondContact NE-OG1 2.67Å; R269-T303 VanDerWaalsContact NE-OG1 3.15Å
304L82.4Confident79.9Confident9 Ų947 Ų475%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-124.8135.9178-64.2172.8000109.2L267 V268 I286 I288 V293 F302 I306 V315L267-L304 WeakPolarHBondContact CA-O 3.25Å; V268-L304 PolarHBondContact N-O 2.96Å; V268-L304 PolarHBondContact O-N 3.07Å; I286-L304 HydrophobicContact CG2-CD1 4.42Å; I286-L304 HydrophobicContact CG2-CD2 4.2Å; I288-L304 HydrophobicContact CD1-CD1 4.39Å; V293-L304 HydrophobicContact CB-CD2 4.32Å; V293-L304 HydrophobicContact CG2-CD2 3.61Å; F302-L304 HydrophobicContact CD2-CD1 4.34Å; F302-L304 HydrophobicContact CD2-CG 4.24Å; F302-L304 HydrophobicContact CE2-CD1 4.34Å; L304-I306 HydrophobicContact CB-CD1 4.01Å; L304-I306 HydrophobicContact CB-CG1 4.39Å; L304-V315 HydrophobicContact CD1-CG1 4.1Å; L304-V315 HydrophobicContact CD1-CG2 3.82Å
305Q76.9Confident80Confident152 Ų15245.8 Ų45.871%0.7125%0.248SC*.EExtended strand (participates in β ladder)trans-95125.6171.9-52.2-160-41.300109.1L267L267-Q305 HydrophobicContact CD2-CB 4.21Å; L267-Q305 HydrophobicContact CD2-CG 3.65Å
306I75.8Confident79.9Confident19 Ų1944.1 Ų44.110%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-130.5148.8-170.2-67.1145.2000109.5V266 V268 L304 T310 L313 F333V266-I306 HydrophobicContact CB-CB 4.47Å; V266-I306 PolarHBondContact O-N 3.05Å; V268-I306 HydrophobicContact CB-CD1 3.49Å; V268-I306 VanDerWaalsContact CB-CD1 3.49Å; V268-I306 HydrophobicContact CG2-CD1 3.27Å; L304-I306 HydrophobicContact CB-CD1 4.01Å; L304-I306 HydrophobicContact CB-CG1 4.39Å; I306-T310 HydrophobicContact CG2-CG2 3.9Å; I306-T310 WeakPolarHBondContact CG2-OG1 3.08Å; I306-L313 HydrophobicContact CD1-CD2 3.44Å; I306-L313 VanDerWaalsContact CD1-CD2 3.44Å; I306-L313 HydrophobicContact CG1-CD2 3.86Å; I306-F333 HydrophobicContact CD1-CZ 4.46Å; I306-F333 HydrophobicContact CG2-CE2 4.49Å
307T70.2Confident80Confident72 Ų7244.2 Ų44.244%0.44224%0.237SC..  trans-72.4139.1176.856.70000110.9D309 T310T307-D309 PolarHBondContact O-N 3.07Å; T307-T310 WeakPolarHBondContact O-CB 3.38Å; T307-T310 PolarHBondContact O-N 3.15Å; T307-T310 PolarHBondContact O-OG1 3.38Å; T307-T310 PolarHBondContact OG1-OG1 3.35Å
308P64.6Low80.3Confident44 Ų4444 Ų4429%0.28623%0.23SC..THydrogen-bonded Turntrans-56-21.3-177.1-28.636.3000116V266V266-P308 HydrophobicContact CG2-CB 4.31Å; V266-P308 HydrophobicContact CG2-CG 4.33Å
309D64.4Low80.7Confident51 Ų5137 Ų3727%0.27320%0.203SC..THydrogen-bonded Turntrans-91.8-2.7-175.9-34.9-96.7000113.1R224 T307 Q311R224-D309 IonicContact CZ-OD2 4Å; R224-D309 IonicContact NE-OD2 2.86Å; R224-D309 IonicContact NH1-OD2 3.83Å; R224-D309 PolarHBondContact NH1-OD2 2.7Å; R224-D309 IonicContact NH2-OD1 2.73Å; R224-D309 IonicContact NH2-OD2 3.86Å; R224-D309 PolarHBondContact NH2-OD2 3.03Å; T307-D309 PolarHBondContact O-N 3.07Å; D309-Q311 PolarHBondContact O-N 2.91Å
310T71.2Confident81.1Confident35 Ų3536.3 Ų36.322%0.21521%0.205CC..  trans-69.1113.7173.6-57.10000109.4I306 T307 R312 L313 F333I306-T310 HydrophobicContact CG2-CG2 3.9Å; I306-T310 WeakPolarHBondContact CG2-OG1 3.08Å; T307-T310 WeakPolarHBondContact O-CB 3.38Å; T307-T310 PolarHBondContact O-N 3.15Å; T307-T310 PolarHBondContact O-OG1 3.38Å; T307-T310 PolarHBondContact OG1-OG1 3.35Å; T310-R312 WeakPolarHBondContact CG2-O 3.47Å; T310-L313 HydrophobicContact CG2-CB 4.01Å; T310-F333 HydrophobicContact CG2-CD2 4.31Å; T310-F333 HydrophobicContact CG2-CE2 4.35Å; T310-F333 WeakPolarHBondContact O-CD2 3.46Å
311Q70.8Confident81.3Confident59 Ų5941 Ų4128%0.27623%0.233SC..SBendtrans-95.1-32.6176.7-65.8-179.3-60.200113.3S164 D309 I332 F333S164-Q311 VanDerWaalsContact CB-OE1 3.24Å; S164-Q311 PolarHBondContact OG-OE1 2.88Å; D309-Q311 PolarHBondContact O-N 2.91Å; Q311-I332 WeakPolarHBondContact O-CA 3.42Å; Q311-F333 PolarHBondContact O-N 2.87Å
312R78.9Confident81.4Confident42 Ų4243.9 Ų43.916%0.15824%0.239CC..EExtended strand (participates in β ladder)trans-125.5128.2175.2-175.3-171.8-171.582.1-0.1107.7T310 V330 D417 T481 G482T310-R312 WeakPolarHBondContact CG2-O 3.47Å; R312-V330 HydrophobicContact CG-CG1 3.95Å; R312-D417 IonicContact CZ-OD1 3.91Å; R312-D417 IonicContact CZ-OD2 2.75Å; R312-D417 IonicContact NH1-OD1 3.16Å; R312-D417 IonicContact NH1-OD2 3.18Å; R312-D417 PolarHBondContact NH1-OD2 3.29Å; R312-D417 VanDerWaalsContact NH2-CG 3.33Å; R312-D417 IonicContact NH2-OD1 3.25Å; R312-D417 PolarHBondContact NH2-OD1 2.96Å; R312-D417 IonicContact NH2-OD2 3.28Å; R312-D417 PolarHBondContact NH2-OD2 2.88Å; R312-T481 PolarHBondContact NE-O 2.69Å; R312-T481 VanDerWaalsContact NE-O 3.08Å; R312-G482 PolarHBondContact NH2-O 2.86Å
313L83.1Confident81.5Confident14 Ų1446.4 Ų46.47%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-126.3128.5172.3177.370.3000109.6I288 I306 T310 V315 V330 F331 F333I288-L313 HydrophobicContact CD1-CD1 3.91Å; I288-L313 HydrophobicContact CD1-CD2 4.46Å; I288-L313 HydrophobicContact CG1-CD1 4.16Å; I288-L313 HydrophobicContact CG2-CD1 3.9Å; I306-L313 HydrophobicContact CD1-CD2 3.44Å; I306-L313 VanDerWaalsContact CD1-CD2 3.44Å; I306-L313 HydrophobicContact CG1-CD2 3.86Å; T310-L313 HydrophobicContact CG2-CB 4.01Å; L313-V315 HydrophobicContact CD2-CG2 3.67Å; L313-V315 HydrophobicContact CG-CG2 3.76Å; L313-V330 CarbonylContact O-C 3.44Å; L313-V330 WeakPolarHBondContact O-CA 2.99Å; L313-F331 HydrophobicContact CD2-CD2 4.46Å; L313-F331 PolarHBondContact N-O 3.38Å; L313-F331 PolarHBondContact O-N 2.79Å; L313-F333 HydrophobicContact CB-CE2 3.61Å; L313-F333 HydrophobicContact CB-CZ 4.2Å; L313-F333 HydrophobicContact CD2-CE2 4.18Å; L313-F333 HydrophobicContact CD2-CZ 4.27Å
314V87.1Confident81.9Confident10 Ų1043.4 Ų43.46%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-101.2126172.2-162.60000107.7P328 V330 P479 D480 T481V314-P328 HydrophobicContact CG1-CB 4.49Å; V314-V330 HydrophobicContact CG2-CG2 4.46Å; V314-P479 WeakPolarHBondContact CG1-O 3.41Å; V314-D480 WeakPolarHBondContact CG2-O 3.34Å; V314-T481 VanDerWaalsContact CG2-C 3.43Å; V314-T481 WeakPolarHBondContact CG2-O 3.34Å
315V90.3Very high82.1Confident0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-125122.1176.3-174.70000108.4I286 Y287 I288 L304 L313 F317 P328 K329 F331I286-V315 HydrophobicContact CG2-CG1 3.36Å; Y287-V315 WeakPolarHBondContact O-CA 3.4Å; I288-V315 HydrophobicContact CG1-CG2 4.24Å; L304-V315 HydrophobicContact CD1-CG1 4.1Å; L304-V315 HydrophobicContact CD1-CG2 3.82Å; L313-V315 HydrophobicContact CD2-CG2 3.67Å; L313-V315 HydrophobicContact CG-CG2 3.76Å; V315-F317 HydrophobicContact CB-CE2 3.96Å; V315-F317 HydrophobicContact CB-CZ 4.25Å; V315-F317 HydrophobicContact CG1-CD2 4.23Å; V315-F317 HydrophobicContact CG1-CE1 4.08Å; V315-F317 HydrophobicContact CG1-CE2 3.67Å; V315-F317 HydrophobicContact CG1-CZ 3.59Å; V315-P328 WeakPolarHBondContact O-CA 3.33Å; V315-K329 PolarHBondContact N-O 3.16Å; V315-K329 PolarHBondContact O-N 3.38Å; V315-F331 HydrophobicContact CB-CD2 4.41Å; V315-F331 HydrophobicContact CB-CE2 3.91Å; V315-F331 HydrophobicContact CG2-CD2 3.79Å; V315-F331 HydrophobicContact CG2-CE2 3.65Å
316N91Very high82.6Confident35 Ų3537.9 Ų37.919%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-96.1121.1175.4-1680.4000110.1Y287Y287-N316 PolarHBondContact N-O 2.9Å; Y287-N316 PolarHBondContact O-N 3.42Å
317F92.3Very high83.1Confident2 Ų237.2 Ų37.21%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-99.9108.2176.1-64.5-82.3000109.3V272 I286 F302 V315 T327 K329 F331 V344V272-F317 HydrophobicContact CG2-CD1 3.59Å; V272-F317 HydrophobicContact CG2-CE1 3.52Å; V272-F317 HydrophobicContact CG2-CG 4.25Å; V272-F317 HydrophobicContact CG2-CZ 4.15Å; I286-F317 HydrophobicContact CD1-CE1 4.14Å; I286-F317 HydrophobicContact CG1-CD1 4.05Å; I286-F317 HydrophobicContact CG1-CE1 4.06Å; I286-F317 HydrophobicContact CG2-CD1 4.38Å; I286-F317 HydrophobicContact CG2-CE1 4.05Å; F302-F317 HydrophobicContact CD1-CE1 4.21Å; F302-F317 HydrophobicContact CD1-CZ 4.46Å; F302-F317 HydrophobicContact CE1-CE1 4.22Å; F302-F317 HydrophobicContact CE1-CZ 4.04Å; F302-F317 HydrophobicContact CE2-CZ 4.1Å; F302-F317 HydrophobicContact CG-CE1 4.36Å; F302-F317 HydrophobicContact CZ-CE1 4.4Å; F302-F317 AromaticContact CZ-CZ 3.85Å; F302-F317 HydrophobicContact CZ-CZ 3.85Å; V315-F317 HydrophobicContact CB-CE2 3.96Å; V315-F317 HydrophobicContact CB-CZ 4.25Å; V315-F317 HydrophobicContact CG1-CD2 4.23Å; V315-F317 HydrophobicContact CG1-CE1 4.08Å; V315-F317 HydrophobicContact CG1-CE2 3.67Å; V315-F317 HydrophobicContact CG1-CZ 3.59Å; F317-T327 PolarHBondContact N-O 3.01Å; F317-T327 PolarHBondContact O-N 3.11Å; F317-K329 HydrophobicContact CE2-CB 4.31Å; F317-F331 HydrophobicContact CE2-CE2 4.32Å; F317-F331 HydrophobicContact CE2-CZ 4.29Å; F317-F331 HydrophobicContact CZ-CZ 4.48Å; F317-V344 HydrophobicContact CD2-CG1 4.14Å; F317-V344 HydrophobicContact CE2-CG1 4.09Å; F317-V344 HydrophobicContact CE2-CG2 4.18Å; F317-V344 HydrophobicContact CZ-CG2 4.3Å
318V91.6Very high84Confident30 Ų3034 Ų3418%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-108.5133.8-173.8169.70000109.5G284 H285 Y287 P320 D326G284-V318 CarbonylContact C-O 3.5Å; G284-V318 WeakPolarHBondContact CA-O 3.3Å; H285-V318 HydrophobicContact CB-CB 4.31Å; H285-V318 PolarHBondContact N-O 2.87Å; H285-V318 PolarHBondContact O-N 3.45Å; Y287-V318 HydrophobicContact CD2-CB 4.28Å; Y287-V318 HydrophobicContact CD2-CG2 3.92Å; Y287-V318 HydrophobicContact CE2-CB 3.98Å; Y287-V318 HydrophobicContact CE2-CG1 4.4Å; Y287-V318 HydrophobicContact CE2-CG2 3.96Å; V318-P320 WeakPolarHBondContact O-CD 3.36Å; V318-D326 WeakPolarHBondContact CG1-OD1 3.21Å; V318-D326 HydrophobicContact CG2-CB 4.31Å
319D90.9Very high85Confident6 Ų633.2 Ų33.23%0.03218%0.18CC..  trans-99.5112-178.9173.420.4000112L281 T321 Q322 T323 Y324L281-D319 HydrophobicContact CD1-CB 3.88Å; D319-T321 PolarHBondContact O-N 3.31Å; D319-T321 VanDerWaalsContact O-N 3.13Å; D319-T321 WeakPolarHBondContact OD1-CB 3.28Å; D319-T321 PolarHBondContact OD1-N 2.96Å; D319-T321 PolarHBondContact OD1-OG1 3.42Å; D319-T321 PolarHBondContact OD2-OG1 2.99Å; D319-Q322 PolarHBondContact O-N 3.02Å; D319-Q322 PolarHBondContact OD2-N 3.05Å; D319-T323 WeakPolarHBondContact OD2-CA 3.44Å; D319-T323 WeakPolarHBondContact OD2-CB 3.44Å; D319-T323 PolarHBondContact OD2-N 2.64Å; D319-Y324 HydrophobicContact CB-CD2 4.36Å; D319-Y324 WeakPolarHBondContact OD2-CD2 3.25Å; D319-Y324 PolarHBondContact OD2-N 2.85Å
320P87.9Confident85.9Confident66 Ų6631.5 Ų31.543%0.42917%0.171SC..THydrogen-bonded Turntrans-59.7-23.7176.4-23.835.2000114.2V318V318-P320 WeakPolarHBondContact O-CD 3.36Å
321T87.3Confident86.3Confident97 Ų9730.1 Ų30.160%0.59516%0.162SC*.THydrogen-bonded Turntrans-84.8-13.1178.273.50000113.3D319 T323D319-T321 PolarHBondContact O-N 3.31Å; D319-T321 VanDerWaalsContact O-N 3.13Å; D319-T321 WeakPolarHBondContact OD1-CB 3.28Å; D319-T321 PolarHBondContact OD1-N 2.96Å; D319-T321 PolarHBondContact OD1-OG1 3.42Å; D319-T321 PolarHBondContact OD2-OG1 2.99Å; T321-T323 PolarHBondContact O-N 3.17Å; T321-T323 PolarHBondContact OG1-OG1 3.36Å
322Q84.4Confident86.4Confident94 Ų9431.4 Ų31.444%0.43917%0.17SC..SBendtrans58.822.3-177.4-49.4-177.230.900114.7D319 K349 R441D319-Q322 PolarHBondContact O-N 3.02Å; D319-Q322 PolarHBondContact OD2-N 3.05Å; Q322-K349 WeakPolarHBondContact O-CD 3.49Å; Q322-R441 VanDerWaalsContact OE1-CZ 3.23Å
323T88.2Confident85.9Confident63 Ų6330.2 Ų30.239%0.38717%0.166SC..SBendtrans-72-35.1171.2-50.80000111.6D319 T321 R348 K349D319-T323 WeakPolarHBondContact OD2-CA 3.44Å; D319-T323 WeakPolarHBondContact OD2-CB 3.44Å; D319-T323 PolarHBondContact OD2-N 2.64Å; T321-T323 PolarHBondContact O-N 3.17Å; T321-T323 PolarHBondContact OG1-OG1 3.36Å; T323-R348 WeakPolarHBondContact O-CA 3.38Å; T323-K349 PolarHBondContact O-N 2.74Å
324Y90Very high84.6Confident12 Ų1232.7 Ų32.75%0.04718%0.18CC..BIsolated β-bridgetrans-107.4159.9-178.4-58-82.1000112.1A274 E279 L281 D319 V346 M347 R348 K349A274-Y324 HydrophobicContact CB-CE1 3.6Å; E279-Y324 PolarHBondContact OE2-OH 3.26Å; L281-Y324 HydrophobicContact CD1-CD2 3.57Å; L281-Y324 HydrophobicContact CD1-CE2 3.99Å; L281-Y324 HydrophobicContact CD1-CG 4.38Å; D319-Y324 HydrophobicContact CB-CD2 4.36Å; D319-Y324 WeakPolarHBondContact OD2-CD2 3.25Å; D319-Y324 PolarHBondContact OD2-N 2.85Å; Y324-V346 HydrophobicContact CD1-CB 4.5Å; Y324-V346 HydrophobicContact CD1-CG2 3.7Å; Y324-V346 HydrophobicContact CE1-CG2 4.19Å; Y324-V346 HydrophobicContact CG-CG2 4.05Å; Y324-M347 CarbonylContact C-O 3.58Å; Y324-M347 WeakPolarHBondContact CA-O 3.27Å; Y324-M347 WeakPolarHBondContact CB-O 3.29Å; Y324-R348 HydrophobicContact CD1-CB 4.47Å; Y324-R348 HydrophobicContact CD1-CG 3.8Å; Y324-R348 HydrophobicContact CE1-CG 3.51Å; Y324-R348 PolarHBondContact OH-NH1 3.01Å; Y324-R348 VanDerWaalsContact OH-NH1 3.11Å; Y324-R348 PolarHBondContact OH-NH2 2.87Å; Y324-K349 VanDerWaalsContact O-CE 3.27Å; Y324-K349 WeakPolarHBondContact O-CE 3.45Å
325I87.8Confident83Confident7 Ų736.6 Ų36.64%0.03620%0.196CC..  trans-74.6136.7170.9-50.4178.5000108.9T327 M347 K349 T401I325-T327 PolarHBondContact O-N 3.32Å; I325-T327 VanDerWaalsContact O-N 3.07Å; I325-T327 PolarHBondContact O-OG1 3.3Å; I325-M347 HydrophobicContact CD1-CB 3.77Å; I325-M347 HydrophobicContact CG1-CB 4.22Å; I325-M347 PolarHBondContact N-O 2.89Å; I325-K349 HydrophobicContact CG1-CG 4.09Å; I325-T401 HydrophobicContact CD1-CG2 3.75Å
326D87.7Confident81.1Confident37 Ų3743.9 Ų43.920%0.19823%0.227CC..  trans-60.7110.1171.5-59.9-42000108.8V318 P328 R520V318-D326 WeakPolarHBondContact CG1-OD1 3.21Å; V318-D326 HydrophobicContact CG2-CB 4.31Å; D326-P328 WeakPolarHBondContact O-CD 3.35Å; D326-R520 IonicContact OD2-NH1 3.07Å
327T85.1Confident79Confident6 Ų643.3 Ų43.34%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-113.2104.3-163-60.10000111.6F317 I325 K329 V346F317-T327 PolarHBondContact N-O 3.01Å; F317-T327 PolarHBondContact O-N 3.11Å; I325-T327 PolarHBondContact O-N 3.32Å; I325-T327 VanDerWaalsContact O-N 3.07Å; I325-T327 PolarHBondContact O-OG1 3.3Å; T327-K329 PolarHBondContact O-N 3.17Å; T327-V346 HydrophobicContact CG2-CG1 4.21Å
328P88.8Confident77.1Confident5 Ų544.3 Ų44.33%0.03224%0.237CC..EExtended strand (participates in β ladder)trans-76.2118168.530.2-33.2000110.8V314 V315 D326 P415 G416 L477 L522V314-P328 HydrophobicContact CG1-CB 4.49Å; V315-P328 WeakPolarHBondContact O-CA 3.33Å; D326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-P415 HydrophobicContact CG-CB 4.21Å; P328-P415 WeakPolarHBondContact O-CA 3.37Å; P328-G416 PolarHBondContact O-N 3.28Å; P328-G416 VanDerWaalsContact O-N 3.11Å; P328-L477 HydrophobicContact CG-CD2 3.64Å; P328-L477 HydrophobicContact CG-CG 4.38Å; P328-L522 HydrophobicContact CG-CD1 4.24Å
329K86.3Confident75.2Confident26 Ų2643.7 Ų43.711%0.11323%0.234CC..EExtended strand (participates in β ladder)trans-110.4131.9173-156.675.8-170.4-177.60110.2V315 F317 T327 F331 V344 A412 A414V315-K329 PolarHBondContact N-O 3.16Å; V315-K329 PolarHBondContact O-N 3.38Å; F317-K329 HydrophobicContact CE2-CB 4.31Å; T327-K329 PolarHBondContact O-N 3.17Å; K329-F331 HydrophobicContact CB-CE2 4.47Å; K329-F331 HydrophobicContact CB-CZ 4.31Å; K329-F331 HydrophobicContact CG-CE1 4.36Å; K329-F331 HydrophobicContact CG-CZ 4.28Å; K329-V344 HydrophobicContact CB-CG1 4.47Å; K329-V344 HydrophobicContact CG-CG1 4.47Å; K329-A412 PolarHBondContact NZ-O 3.42Å; K329-A414 PolarHBondContact NZ-O 2.8Å
330V83.4Confident73.9Confident15 Ų1544 Ų449%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-91.7130.3173.41760000108.7R312 L313 V314 I332 D417R312-V330 HydrophobicContact CG-CG1 3.95Å; L313-V330 CarbonylContact O-C 3.44Å; L313-V330 WeakPolarHBondContact O-CA 2.99Å; V314-V330 HydrophobicContact CG2-CG2 4.46Å; V330-I332 HydrophobicContact CG1-CG1 4.08Å; V330-D417 HydrophobicContact CB-CB 4.41Å; V330-D417 HydrophobicContact CG1-CB 4.42Å
331F79.4Confident72.8Confident7 Ų743.9 Ų43.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-111.3133.2168.9-56.6-74.5000109F302 L313 V315 F317 K329 F333 H342 V344F302-F331 HydrophobicContact CZ-CZ 4.29Å; L313-F331 HydrophobicContact CD2-CD2 4.46Å; L313-F331 PolarHBondContact N-O 3.38Å; L313-F331 PolarHBondContact O-N 2.79Å; V315-F331 HydrophobicContact CB-CD2 4.41Å; V315-F331 HydrophobicContact CB-CE2 3.91Å; V315-F331 HydrophobicContact CG2-CD2 3.79Å; V315-F331 HydrophobicContact CG2-CE2 3.65Å; F317-F331 HydrophobicContact CE2-CE2 4.32Å; F317-F331 HydrophobicContact CE2-CZ 4.29Å; F317-F331 HydrophobicContact CZ-CZ 4.48Å; K329-F331 HydrophobicContact CB-CE2 4.47Å; K329-F331 HydrophobicContact CB-CZ 4.31Å; K329-F331 HydrophobicContact CG-CE1 4.36Å; K329-F331 HydrophobicContact CG-CZ 4.28Å; F331-F333 HydrophobicContact CB-CE1 3.68Å; F331-F333 HydrophobicContact CB-CE2 4.15Å; F331-F333 HydrophobicContact CB-CZ 3.34Å; F331-F333 HydrophobicContact CG-CZ 4.28Å; F331-H342 HydrophobicContact CD1-CB 4.41Å; F331-H342 AromaticContact CD1-CD2 3.61Å; F331-H342 AromaticContact CD1-CE1 3.75Å; F331-H342 AromaticContact CD1-CG 3.72Å; F331-H342 AromaticContact CD1-ND1 3.8Å; F331-H342 AromaticContact CD1-NE2 3.63Å; F331-H342 HydrophobicContact CE1-CB 3.71Å; F331-H342 AromaticContact CE1-CD2 3.72Å; F331-H342 AromaticContact CE1-CG 3.51Å; F331-H342 AromaticContact CE1-ND1 3.91Å; F331-V344 HydrophobicContact CE1-CG2 4.22Å; F331-V344 HydrophobicContact CZ-CG2 3.83Å
332I72.4Confident72.2Confident85 Ų8540.5 Ų40.544%0.43621%0.205SC..EExtended strand (participates in β ladder)trans-114.2132-179.9-55.9176.9000108Q311 V330Q311-I332 WeakPolarHBondContact O-CA 3.42Å; V330-I332 HydrophobicContact CG1-CG1 4.08Å
333F68.1Low71.7Confident18 Ų1839.8 Ų39.88%0.07920%0.204CC..  trans-122.7134.6-173.4-51.9-55.1000112.2V268 I306 T310 Q311 L313 F331 I340V268-F333 HydrophobicContact CG2-CE1 3.55Å; V268-F333 HydrophobicContact CG2-CE2 4.37Å; V268-F333 HydrophobicContact CG2-CZ 3.44Å; V268-F333 VanDerWaalsContact CG2-CZ 3.44Å; I306-F333 HydrophobicContact CD1-CZ 4.46Å; I306-F333 HydrophobicContact CG2-CE2 4.49Å; T310-F333 HydrophobicContact CG2-CD2 4.31Å; T310-F333 HydrophobicContact CG2-CE2 4.35Å; T310-F333 WeakPolarHBondContact O-CD2 3.46Å; Q311-F333 PolarHBondContact O-N 2.87Å; L313-F333 HydrophobicContact CB-CE2 3.61Å; L313-F333 HydrophobicContact CB-CZ 4.2Å; L313-F333 HydrophobicContact CD2-CE2 4.18Å; L313-F333 HydrophobicContact CD2-CZ 4.27Å; F331-F333 HydrophobicContact CB-CE1 3.68Å; F331-F333 HydrophobicContact CB-CE2 4.15Å; F331-F333 HydrophobicContact CB-CZ 3.34Å; F331-F333 HydrophobicContact CG-CZ 4.28Å; F333-I340 HydrophobicContact CD1-CD1 3.78Å; F333-I340 HydrophobicContact CE1-CD1 4.12Å
334D56Low71.6Confident66 Ų6637 Ų3735%0.35319%0.186SC..  trans-82.2136.1159.4178.98.7000108.7K336 S337D334-K336 PolarHBondContact O-N 3.37Å; D334-K336 PolarHBondContact OD1-N 2.82Å; D334-S337 PolarHBondContact O-N 2.88Å; D334-S337 VanDerWaalsContact O-N 3.08Å
335K53.8Low71.5Confident91 Ų9137.7 Ų37.740%0.39619%0.19SC..THydrogen-bonded Turntrans-54.9-13.4177-67175.1175.4173.60113.6D93D93-K335 IonicContact OD1-NZ 3.86Å; D93-K335 PolarHBondContact OD1-NZ 2.95Å; D93-K335 IonicContact OD2-NZ 3.55Å; D93-K335 PolarHBondContact OD2-NZ 3.21Å
336K50.2Low71.6Confident153 Ų15337.4 Ų37.467%0.66519%0.188SC*.THydrogen-bonded Turntrans-101.8-12.4-178.1-60.6173.1-176.3169.90114.8D334D334-K336 PolarHBondContact O-N 3.37Å; D334-K336 PolarHBondContact OD1-N 2.82Å
337S47.7Very low71.6Confident24 Ų2437.1 Ų37.117%0.16819%0.186CC..  trans-88.9134.7-176.7-174.20000111.6D334D334-S337 PolarHBondContact O-N 2.88Å; D334-S337 VanDerWaalsContact O-N 3.08Å
338G51.7Low71.9Confident23 Ų2339.9 Ų39.924%0.23720%0.196CC..  trans-72.7-158.4174.100000113.6I340G338-I340 WeakPolarHBondContact O-CD1 3.02Å; G338-I340 WeakPolarHBondContact O-CG1 3.48Å; G338-I340 PolarHBondContact O-N 3.42Å
339S52.3Low71.9Confident17 Ų1741.5 Ų41.512%0.11920%0.203CC..SBendtrans-59.8117.1-179.954.10000112.8L267 N864 V867L267-S339 WeakPolarHBondContact O-CA 3.3Å; L267-S339 WeakPolarHBondContact O-CB 3.42Å; S339-N864 WeakPolarHBondContact OG-CB 3.45Å; S339-N864 PolarHBondContact OG-ND2 3.03Å; S339-N864 PolarHBondContact OG-OD1 2.94Å; S339-V867 WeakPolarHBondContact OG-CG2 3.39Å
340I63Low72Confident11 Ų1143.6 Ų43.66%0.05621%0.213CC..  trans-98.1144.3-177.8-53.7111.8000110.9R269 F333 G338 H342 V555 L581R269-I340 PolarHBondContact N-O 2.88Å; F333-I340 HydrophobicContact CD1-CD1 3.78Å; F333-I340 HydrophobicContact CE1-CD1 4.12Å; G338-I340 WeakPolarHBondContact O-CD1 3.02Å; G338-I340 WeakPolarHBondContact O-CG1 3.48Å; G338-I340 PolarHBondContact O-N 3.42Å; I340-H342 VanDerWaalsContact CG2-NE2 3.32Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.09Å; I340-V555 HydrophobicContact CG2-CG2 3.98Å; I340-L581 HydrophobicContact CD1-CD1 3.75Å; I340-L581 HydrophobicContact CG1-CD1 3.8Å; I340-L581 HydrophobicContact CG1-CD2 4.01Å; I340-L581 HydrophobicContact CG2-CD2 4Å
341Y65.9Low72.1Confident65 Ų6548.2 Ų48.226%0.25524%0.241SC..EExtended strand (participates in β ladder)trans-104.6120.6171.9-178.6-86.9000111.2R269 R271R269-Y341 HydrophobicContact CB-CD2 4.44Å; R269-Y341 CarbonylContact O-C 3.54Å; R269-Y341 WeakPolarHBondContact O-CA 3.04Å; R271-Y341 WeakPolarHBondContact CB-OH 3.5Å
342H73.4Confident72.6Confident26 Ų2651.7 Ų51.712%0.1226%0.264CS..EExtended strand (participates in β ladder)trans-111.8141.5175.8-65.1-88.5000112.7R269 G270 R271 F331 I340 V344R269-H342 PolarHBondContact O-N 3.15Å; G270-H342 CarbonylContact C-O 3.55Å; G270-H342 WeakPolarHBondContact CA-O 3.48Å; R271-H342 PolarHBondContact N-O 3.32Å; F331-H342 HydrophobicContact CD1-CB 4.41Å; F331-H342 AromaticContact CD1-CD2 3.61Å; F331-H342 AromaticContact CD1-CE1 3.75Å; F331-H342 AromaticContact CD1-CG 3.72Å; F331-H342 AromaticContact CD1-ND1 3.8Å; F331-H342 AromaticContact CD1-NE2 3.63Å; F331-H342 HydrophobicContact CE1-CB 3.71Å; F331-H342 AromaticContact CE1-CD2 3.72Å; F331-H342 AromaticContact CE1-CG 3.51Å; F331-H342 AromaticContact CE1-ND1 3.91Å; I340-H342 VanDerWaalsContact CG2-NE2 3.32Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.09Å; H342-V344 HydrophobicContact CB-CG2 4.48Å
343N75.1Confident73.5Confident79 Ų7951.9 Ų51.942%0.42227%0.269SS..EExtended strand (participates in β ladder)trans-10194.3169.9-166.314.1000108.4
344V85.4Confident74.7Confident4 Ų455.6 Ų55.62%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-80.3121.6-177-176.90000108.7R271 V272 V273 F302 F317 K329 F331 H342R271-V344 PolarHBondContact O-N 3.04Å; V272-V344 WeakPolarHBondContact CA-O 3.17Å; V272-V344 HydrophobicContact CG1-CB 4.38Å; V272-V344 HydrophobicContact CG1-CG1 4.3Å; V272-V344 HydrophobicContact CG2-CB 4.27Å; V273-V344 PolarHBondContact N-O 3.33Å; F302-V344 HydrophobicContact CE1-CG2 3.94Å; F302-V344 HydrophobicContact CZ-CG2 3.98Å; F317-V344 HydrophobicContact CD2-CG1 4.14Å; F317-V344 HydrophobicContact CE2-CG1 4.09Å; F317-V344 HydrophobicContact CE2-CG2 4.18Å; F317-V344 HydrophobicContact CZ-CG2 4.3Å; K329-V344 HydrophobicContact CB-CG1 4.47Å; K329-V344 HydrophobicContact CG-CG1 4.47Å; F331-V344 HydrophobicContact CE1-CG2 4.22Å; F331-V344 HydrophobicContact CZ-CG2 3.83Å; H342-V344 HydrophobicContact CB-CG2 4.48Å
345K87Confident76.3Confident27 Ų2752.9 Ų52.912%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-92.2134.2172.3-59.5-55.8-169178.10110V273 A275 D278 A412 A413V273-K345 HydrophobicContact CG2-CD 3.65Å; V273-K345 VanDerWaalsContact CG2-NZ 3.32Å; V273-K345 CarbonylContact O-C 3.49Å; V273-K345 VanDerWaalsContact O-CA 3.31Å; V273-K345 WeakPolarHBondContact O-CA 3.39Å; A275-K345 HydrophobicContact CB-CB 4.2Å; D278-K345 IonicContact OD1-NZ 3.5Å; D278-K345 PolarHBondContact OD1-NZ 2.94Å; D278-K345 IonicContact OD2-NZ 2.67Å; D278-K345 PolarHBondContact OD2-NZ 2.82Å; K345-A412 HydrophobicContact CB-CB 4.43Å; K345-A412 HydrophobicContact CG-CB 3.81Å; K345-A413 HydrophobicContact CB-CB 3.72Å
346V90.4Very high78Confident1 Ų151.9 Ų51.91%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-119.8144.4172.4-65.30000110.7V272 V273 A274 A275 Y324 T327V272-V346 HydrophobicContact CG1-CG1 3.57Å; V272-V346 HydrophobicContact CG1-CG2 4.12Å; V273-V346 PolarHBondContact O-N 2.78Å; A274-V346 WeakPolarHBondContact CA-O 3.49Å; A275-V346 PolarHBondContact N-O 2.91Å; Y324-V346 HydrophobicContact CD1-CB 4.5Å; Y324-V346 HydrophobicContact CD1-CG2 3.7Å; Y324-V346 HydrophobicContact CE1-CG2 4.19Å; Y324-V346 HydrophobicContact CG-CG2 4.05Å; T327-V346 HydrophobicContact CG2-CG1 4.21Å
347M88.6Confident79.8Confident31 Ų3144.7 Ų44.715%0.15324%0.243CC..PPolyproline II helixtrans-87.1141.9177-65.7-62.9-7300110.6A275 Y324 I325 I403 A413A275-M347 HydrophobicContact CB-SD 3.64Å; Y324-M347 CarbonylContact C-O 3.58Å; Y324-M347 WeakPolarHBondContact CA-O 3.27Å; Y324-M347 WeakPolarHBondContact CB-O 3.29Å; I325-M347 HydrophobicContact CD1-CB 3.77Å; I325-M347 HydrophobicContact CG1-CB 4.22Å; I325-M347 PolarHBondContact N-O 2.89Å; M347-I403 HydrophobicContact CG-CD1 4.27Å; M347-I403 HydrophobicContact CG-CG1 4.33Å; M347-A413 HydrophobicContact CG-CB 3.91Å; M347-A413 HydrophobicContact SD-CB 3.71Å
348R89.9Confident81.6Confident63 Ų6345.3 Ų45.324%0.23825%0.254CS..BIsolated β-bridgetrans-72.5147.4167.4-65.5178.9-170.4-87.5-3.1109.1D276 N277 E279 T323 Y324D276-R348 VanDerWaalsContact CG-NE 3.3Å; D276-R348 IonicContact OD1-CZ 3Å; D276-R348 IonicContact OD1-NE 3.85Å; D276-R348 PolarHBondContact OD1-NE 3.15Å; D276-R348 IonicContact OD1-NH2 2.85Å; D276-R348 IonicContact OD2-CZ 3.78Å; D276-R348 IonicContact OD2-NE 2.68Å; D276-R348 PolarHBondContact OD2-NE 3.2Å; D276-R348 IonicContact OD2-NH2 2.8Å; N277-R348 VanDerWaalsContact CG-NH2 3.33Å; N277-R348 PolarHBondContact ND2-NH2 3.25Å; N277-R348 PolarHBondContact OD1-NH2 2.71Å; E279-R348 IonicContact OE2-CZ 3.13Å; E279-R348 IonicContact OE2-NH1 3.63Å; E279-R348 PolarHBondContact OE2-NH1 3Å; E279-R348 IonicContact OE2-NH2 2.63Å; E279-R348 PolarHBondContact OE2-NH2 3.42Å; T323-R348 WeakPolarHBondContact O-CA 3.38Å; Y324-R348 HydrophobicContact CD1-CB 4.47Å; Y324-R348 HydrophobicContact CD1-CG 3.8Å; Y324-R348 HydrophobicContact CE1-CG 3.51Å; Y324-R348 PolarHBondContact OH-NH1 3.01Å; Y324-R348 VanDerWaalsContact OH-NH1 3.11Å; Y324-R348 PolarHBondContact OH-NH2 2.87Å
349K89.2Confident83.4Confident40 Ų4050 Ų5017%0.17427%0.269CS..PPolyproline II helixtrans-70.8144.6168.9-66.8-167.6-176.2176.70110.2Q322 T323 Y324 I325 D439Q322-K349 WeakPolarHBondContact O-CD 3.49Å; T323-K349 PolarHBondContact O-N 2.74Å; Y324-K349 VanDerWaalsContact O-CE 3.27Å; Y324-K349 WeakPolarHBondContact O-CE 3.45Å; I325-K349 HydrophobicContact CG1-CG 4.09Å; K349-D439 IonicContact NZ-OD2 2.95Å; K349-D439 PolarHBondContact NZ-OD2 3.2Å
350Q88.1Confident85.1Confident70 Ų7052.5 Ų52.533%0.32728%0.284SS..PPolyproline II helixtrans-67.5152.6170.3-79-59.9-11.600112.7P352 E367 S399 V400 T401Q350-P352 WeakPolarHBondContact O-CD 3.38Å; Q350-E367 WeakPolarHBondContact CG-OE1 3.33Å; Q350-E367 PolarHBondContact NE2-OE1 2.99Å; Q350-E367 PolarHBondContact NE2-OE2 2.87Å; Q350-S399 PolarHBondContact O-OG 2.96Å; Q350-V400 VanDerWaalsContact CB-O 3.31Å; Q350-V400 WeakPolarHBondContact CB-O 3.4Å; Q350-V400 WeakPolarHBondContact CG-O 3.49Å; Q350-T401 HydrophobicContact CG-CG2 4.09Å; Q350-T401 PolarHBondContact N-OG1 3.08Å
351T87.2Confident86.3Confident112 Ų11253.1 Ų53.169%0.68729%0.288SS*.PPolyproline II helixtrans-58.5123172.649.60000109.9
352P89.8Confident87.4Confident79 Ų7955.1 Ų55.151%0.51330%0.298SS..PPolyproline II helixtrans-60.2141.6-178.3-23.933.1000112.8Q350 K397 A398Q350-P352 WeakPolarHBondContact O-CD 3.38Å; P352-K397 HydrophobicContact CB-CB 4.06Å; P352-A398 CarbonylContact C-O 3.5Å; P352-A398 VanDerWaalsContact CA-O 3.31Å; P352-A398 WeakPolarHBondContact CA-O 3.38Å
353V91.4Very high88.2Confident90 Ų9055.4 Ų55.455%0.54530%0.3SS..EExtended strand (participates in β ladder)trans-103.6146.2172.7-178.60000109A398V353-A398 PolarHBondContact N-O 3.04Å; V353-A398 PolarHBondContact O-N 3.14Å
354D92Very high88.9Confident96 Ų9656 Ų5651%0.51330%0.303SS..EExtended strand (participates in β ladder)trans-85.5128.1-179.3-69.28.5000110.6T395 K397D354-T395 HydrophobicContact CB-CG2 4.3Å; D354-K397 WeakPolarHBondContact OD1-CD 3.32Å; D354-K397 WeakPolarHBondContact OD1-CE 3.34Å; D354-K397 IonicContact OD1-NZ 2.66Å; D354-K397 PolarHBondContact OD1-NZ 3.05Å; D354-K397 IonicContact OD2-NZ 2.66Å; D354-K397 PolarHBondContact OD2-NZ 2.84Å
355I90.7Very high89Confident8 Ų855.8 Ų55.84%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-126.4139.4-173.5-79.2-169.4000110.7N361 I363 I379 F384 V396 A398I355-N361 HydrophobicContact CD1-CB 4.18Å; I355-N361 HydrophobicContact CG1-CB 4.43Å; I355-N361 HydrophobicContact CG2-CB 4.18Å; I355-I363 HydrophobicContact CD1-CD1 3.68Å; I355-I363 HydrophobicContact CD1-CG1 4.05Å; I355-I379 HydrophobicContact CD1-CD1 4.14Å; I355-F384 HydrophobicContact CG2-CE2 3.7Å; I355-F384 HydrophobicContact CG2-CZ 3.81Å; I355-V396 HydrophobicContact CB-CB 4.14Å; I355-V396 HydrophobicContact CG2-CB 4.11Å; I355-V396 PolarHBondContact N-O 2.92Å; I355-V396 PolarHBondContact O-N 3.32Å; I355-A398 HydrophobicContact CD1-CB 3.58Å; I355-A398 HydrophobicContact CG1-CB 4.11Å
356N90.1Very high88.8Confident71 Ų7155.6 Ų55.638%0.3831%0.307SS..  trans-101110.4177.6176.97.7000110.6G358 E359 N361N356-G358 PolarHBondContact O-N 2.87Å; N356-G358 VanDerWaalsContact O-N 3.1Å; N356-G358 PolarHBondContact OD1-N 2.04Å; N356-E359 PolarHBondContact ND2-OE1 2.92Å; N356-E359 PolarHBondContact O-N 2.03Å; N356-N361 PolarHBondContact N-OD1 2.91Å; N356-N361 PolarHBondContact O-ND2 2.84Å
357P86.6Confident88Confident1 Ų159.7 Ų59.71%0.00633%0.326CS..THydrogen-bonded Turntrans-57.1-22.4177.5-29.438000115.9E359 P381 H382 F384 Y392 G394 V396P357-E359 PolarHBondContact O-N 3.06Å; P357-P381 CarbonylContact O-C 3.35Å; P357-P381 VanDerWaalsContact O-CA 3.28Å; P357-P381 WeakPolarHBondContact O-CA 3.32Å; P357-H382 PolarHBondContact O-N 3.28Å; P357-F384 HydrophobicContact CB-CD2 3.87Å; P357-F384 HydrophobicContact CG-CD2 3.84Å; P357-F384 HydrophobicContact CG-CE2 4.43Å; P357-Y392 VanDerWaalsContact CB-O 3.25Å; P357-Y392 WeakPolarHBondContact CB-O 3.27Å; P357-Y392 HydrophobicContact CG-CD1 4.28Å; P357-Y392 WeakPolarHBondContact CG-O 3.17Å; P357-G394 WeakPolarHBondContact CD-O 3.43Å; P357-G394 WeakPolarHBondContact CG-O 3.25Å; P357-V396 HydrophobicContact CG-CG2 3.71Å
358G85.8Confident87.6Confident38 Ų3860.8 Ų60.839%0.39233%0.332SS..THydrogen-bonded Turntrans-75.4-6.4179.900000114.9N356 P381N356-G358 PolarHBondContact O-N 2.87Å; N356-G358 VanDerWaalsContact O-N 3.1Å; N356-G358 PolarHBondContact OD1-N 2.04Å; G358-P381 WeakPolarHBondContact O-CB 3.43Å
359E89.2Confident87Confident120 Ų12067.7 Ų67.756%0.56136%0.364SS*.SBendtrans-126.7164.1-173.2-70.3175.6-136.500112.2N356 P357 N361N356-E359 PolarHBondContact ND2-OE1 2.92Å; N356-E359 PolarHBondContact O-N 2.03Å; P357-E359 PolarHBondContact O-N 3.06Å; E359-N361 PolarHBondContact O-N 2.85Å; E359-N361 PolarHBondContact O-ND2 3.36Å
360T87.8Confident86.4Confident70 Ų7070 Ų7043%0.42940%0.399SS..  trans-78.2116.7169.4-53.80000109.1F362 V378 I379T360-F362 HydrophobicContact CG2-CE2 3.94Å; T360-F362 HydrophobicContact CG2-CZ 3.83Å; T360-V378 HydrophobicContact CG2-CG1 3.6Å; T360-I379 WeakPolarHBondContact CA-O 3.37Å
361N89.7Confident86Confident25 Ų2569.4 Ų69.413%0.13440%0.396CS..EExtended strand (participates in β ladder)trans-105.8149.6-177.1-67.4-107.2000111.1I355 N356 E359 V378 I379I355-N361 HydrophobicContact CD1-CB 4.18Å; I355-N361 HydrophobicContact CG1-CB 4.43Å; I355-N361 HydrophobicContact CG2-CB 4.18Å; N356-N361 PolarHBondContact N-OD1 2.91Å; N356-N361 PolarHBondContact O-ND2 2.84Å; E359-N361 PolarHBondContact O-N 2.85Å; E359-N361 PolarHBondContact O-ND2 3.36Å; N361-V378 WeakPolarHBondContact O-CA 3.31Å; N361-I379 HydrophobicContact CB-CB 4.44Å; N361-I379 PolarHBondContact N-O 3.11Å; N361-I379 PolarHBondContact O-N 3.12Å
362F89.1Confident85.7Confident107 Ų10767.5 Ų67.547%0.46938%0.382SS..EExtended strand (participates in β ladder)trans-126.4133.8-175.6-62.2-90.3000110.2T360 Q376 L377 V378T360-F362 HydrophobicContact CG2-CE2 3.94Å; T360-F362 HydrophobicContact CG2-CZ 3.83Å; F362-Q376 HydrophobicContact CB-CG 4.34Å; F362-Q376 HydrophobicContact CD1-CG 4.37Å; F362-Q376 VanDerWaalsContact CD1-OE1 3.3Å; F362-L377 WeakPolarHBondContact CA-O 3.22Å; F362-V378 HydrophobicContact CD1-CB 4.41Å; F362-V378 HydrophobicContact CD1-CG1 4.13Å; F362-V378 HydrophobicContact CD1-CG2 3.81Å; F362-V378 HydrophobicContact CE1-CB 4.33Å; F362-V378 HydrophobicContact CE1-CG1 3.69Å; F362-V378 HydrophobicContact CE1-CG2 3.79Å; F362-V378 HydrophobicContact CZ-CG1 4.19Å
363I89.9Confident85.5Confident31 Ų3165.7 Ų65.716%0.15937%0.37CS..EExtended strand (participates in β ladder)trans-133.7120.6177.7-45.5174.3000109.4I355 Q376 L377 I379 A398 V400 F440I355-I363 HydrophobicContact CD1-CD1 3.68Å; I355-I363 HydrophobicContact CD1-CG1 4.05Å; I363-Q376 CarbonylContact O-C 3.5Å; I363-Q376 WeakPolarHBondContact O-CA 3.49Å; I363-L377 HydrophobicContact CB-CB 4.33Å; I363-L377 PolarHBondContact N-O 3.07Å; I363-L377 PolarHBondContact O-N 3.4Å; I363-I379 HydrophobicContact CD1-CD1 3.87Å; I363-A398 HydrophobicContact CD1-CB 4.37Å; I363-V400 HydrophobicContact CD1-CG2 3.63Å; I363-V400 HydrophobicContact CG2-CB 4.03Å; I363-V400 HydrophobicContact CG2-CG1 4.49Å; I363-V400 HydrophobicContact CG2-CG2 4Å; I363-F440 HydrophobicContact CD1-CE1 4.34Å
364D90.1Very high85.2Confident91 Ų9161.8 Ų61.849%0.48735%0.346SS..EExtended strand (participates in β ladder)trans-77.3140.1-176.8-64-24.4000112.5P373 Q376D364-P373 HydrophobicContact CB-CB 3.98Å; D364-P373 HydrophobicContact CB-CG 4.18Å; D364-Q376 PolarHBondContact OD1-NE2 2.98Å
365L87.6Confident84.9Confident0 Ų057.3 Ų57.30%032%0.323CS..EExtended strand (participates in β ladder)trans-103.784.5177.5-62.4177.4000109.9I374 G375 L377 V400 F402 F436 V456L365-I374 PolarHBondContact O-N 2.93Å; L365-G375 PolarHBondContact N-O 2.92Å; L365-G375 PolarHBondContact O-N 3.24Å; L365-L377 HydrophobicContact CD1-CD2 4.07Å; L365-L377 HydrophobicContact CD1-CG 4.15Å; L365-L377 HydrophobicContact CD2-CD1 4.18Å; L365-L377 HydrophobicContact CD2-CG 4.1Å; L365-L377 HydrophobicContact CG-CG 4.22Å; L365-V400 HydrophobicContact CD2-CG1 3.82Å; L365-F402 HydrophobicContact CB-CD2 3.97Å; L365-F402 HydrophobicContact CB-CE2 4.12Å; L365-F402 HydrophobicContact CB-CG 4.26Å; L365-F402 HydrophobicContact CD2-CB 4.48Å; L365-F402 HydrophobicContact CD2-CD2 4.21Å; L365-F436 HydrophobicContact CD1-CD1 4.24Å; L365-F436 HydrophobicContact CD1-CE1 4.21Å; L365-F436 HydrophobicContact CD1-CZ 4.49Å; L365-F436 HydrophobicContact CD2-CB 4.22Å; L365-F436 HydrophobicContact CD2-CD2 4.43Å; L365-F436 HydrophobicContact CD2-CG 4.19Å; L365-V456 HydrophobicContact CD1-CG1 4.32Å
366G82.1Confident84.9Confident23 Ų2359.1 Ų59.124%0.23733%0.331CS..  trans160.5130.4176.700000112.1
367E72.9Confident85Confident88 Ų8855.8 Ų55.841%0.41131%0.313SS..  trans-117.4-2.8-168.6-57.2-179.9-177.400113.6Q350 K369Q350-E367 WeakPolarHBondContact CG-OE1 3.33Å; Q350-E367 PolarHBondContact NE2-OE1 2.99Å; Q350-E367 PolarHBondContact NE2-OE2 2.87Å; E367-K369 PolarHBondContact O-N 3.4Å; E367-K369 VanDerWaalsContact O-N 3.15Å
368I79.9Confident85.1Confident53 Ų5356.3 Ų56.327%0.27232%0.317SS..  trans-75.2106.5-174.4-60.1-177000110.4G370 E371 R406I368-G370 PolarHBondContact O-N 2.87Å; I368-G370 VanDerWaalsContact O-N 3.1Å; I368-E371 HydrophobicContact CB-CB 4.4Å; I368-E371 HydrophobicContact CG2-CB 4.27Å; I368-E371 HydrophobicContact CG2-CG 3.99Å; I368-E371 PolarHBondContact O-N 2.92Å; I368-R406 HydrophobicContact CD1-CB 3.57Å
369K78.1Confident85.3Confident208 Ų20854.5 Ų54.590%0.90430%0.298SS*.THydrogen-bonded Turntrans-56113.8-179.2-64.5-178.4-179.1178.70111.9E367E367-K369 PolarHBondContact O-N 3.4Å; E367-K369 VanDerWaalsContact O-N 3.15Å
370G76.2Confident85.2Confident88 Ų8850.8 Ų50.891%0.90728%0.284SS*.THydrogen-bonded Turntrans94.95179.400000114.7I368I368-G370 PolarHBondContact O-N 2.87Å; I368-G370 VanDerWaalsContact O-N 3.1Å
371E79.4Confident85.1Confident58 Ų5850 Ų5027%0.27128%0.28SS..SBendtrans-112.5156159.6-63.1-164.7-164.600110.6I368 R406 R572I368-E371 HydrophobicContact CB-CB 4.4Å; I368-E371 HydrophobicContact CG2-CB 4.27Å; I368-E371 HydrophobicContact CG2-CG 3.99Å; I368-E371 PolarHBondContact O-N 2.92Å; E371-R406 VanDerWaalsContact OE2-CD 3.28Å; E371-R406 WeakPolarHBondContact OE2-CD 3.13Å; E371-R406 IonicContact OE2-CZ 3.81Å; E371-R406 IonicContact OE2-NE 3.46Å; E371-R406 IonicContact OE2-NH1 2.61Å; E371-R406 PolarHBondContact OE2-NH1 3.16Å; E371-R572 WeakPolarHBondContact OE1-CD 3.3Å; E371-R572 IonicContact OE1-CZ 3.2Å; E371-R572 IonicContact OE1-NE 3.69Å; E371-R572 IonicContact OE1-NH1 3.34Å; E371-R572 PolarHBondContact OE1-NH1 2.86Å
372D81.3Confident84.8Confident72 Ų7253.3 Ų53.339%0.38530%0.295SS..  trans-69154.9172.4-71.7-5.3000111.2R406 R508D372-R406 PolarHBondContact O-NH1 2.98Å; D372-R406 PolarHBondContact O-NH2 2.89Å; D372-R406 VanDerWaalsContact O-NH2 3.14Å; D372-R508 IonicContact OD2-CZ 3.31Å; D372-R508 IonicContact OD2-NH1 3.69Å; D372-R508 PolarHBondContact OD2-NH1 2.68Å; D372-R508 IonicContact OD2-NH2 2.7Å; D372-R508 PolarHBondContact OD2-NH2 3.12Å
373P84.9Confident84.5Confident41 Ų4149 Ų4927%0.26628%0.278SS..  trans-67.7148.1171.530.4-35.3000111.2D364 G375D364-P373 HydrophobicContact CB-CB 3.98Å; D364-P373 HydrophobicContact CB-CG 4.18Å; P373-G375 VanDerWaalsContact C-N 3.3Å
374I85.1Confident84.3Confident8 Ų847.6 Ų47.64%0.04127%0.271CS..SBendtrans-71.3-30.2177.6-74.7173000110.8L365 F402 R406 L458 D459 H462L365-I374 PolarHBondContact O-N 2.93Å; I374-F402 HydrophobicContact CB-CE1 4.4Å; I374-F402 HydrophobicContact CB-CZ 4.05Å; I374-F402 HydrophobicContact CD1-CE1 4.01Å; I374-F402 HydrophobicContact CD1-CZ 3.92Å; I374-F402 HydrophobicContact CG1-CZ 4.5Å; I374-F402 HydrophobicContact CG2-CZ 4.3Å; I374-R406 HydrophobicContact CD1-CG 4.21Å; I374-L458 HydrophobicContact CG2-CD1 3.57Å; I374-L458 WeakPolarHBondContact O-CD1 3.48Å; I374-D459 PolarHBondContact O-N 3.28Å; I374-H462 HydrophobicContact CG1-CB 4.29Å
375G87.6Confident83.9Confident3 Ų344.2 Ų44.23%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-161.4-170178.500000113.2L365 P373 L457L365-G375 PolarHBondContact N-O 2.92Å; L365-G375 PolarHBondContact O-N 3.24Å; P373-G375 VanDerWaalsContact C-N 3.3Å; G375-L457 CarbonylContact C-O 3.57Å; G375-L457 WeakPolarHBondContact CA-O 3.09Å
376Q90.6Very high83.5Confident46 Ų4647 Ų4722%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-150136.6-179-173.1174.573.800110.1F362 I363 D364 L457F362-Q376 HydrophobicContact CB-CG 4.34Å; F362-Q376 HydrophobicContact CD1-CG 4.37Å; F362-Q376 VanDerWaalsContact CD1-OE1 3.3Å; I363-Q376 CarbonylContact O-C 3.5Å; I363-Q376 WeakPolarHBondContact O-CA 3.49Å; D364-Q376 PolarHBondContact OD1-NE2 2.98Å; Q376-L457 HydrophobicContact CB-CB 4.44Å; Q376-L457 PolarHBondContact N-O 2.91Å; Q376-L457 PolarHBondContact O-N 3.17Å
377L90.8Very high83Confident1 Ų151.9 Ų51.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-87.3132.1168.2-59.9176.8000109.2F362 I363 L365 V400 F436 V438 V454 Q455 V456F362-L377 WeakPolarHBondContact CA-O 3.22Å; I363-L377 HydrophobicContact CB-CB 4.33Å; I363-L377 PolarHBondContact N-O 3.07Å; I363-L377 PolarHBondContact O-N 3.4Å; L365-L377 HydrophobicContact CD1-CD2 4.07Å; L365-L377 HydrophobicContact CD1-CG 4.15Å; L365-L377 HydrophobicContact CD2-CD1 4.18Å; L365-L377 HydrophobicContact CD2-CG 4.1Å; L365-L377 HydrophobicContact CG-CG 4.22Å; L377-V400 HydrophobicContact CD1-CG1 3.97Å; L377-V400 HydrophobicContact CD1-CG2 4.03Å; L377-F436 HydrophobicContact CD1-CD2 4.29Å; L377-F436 HydrophobicContact CD1-CE2 4.21Å; L377-F436 HydrophobicContact CD2-CD2 4.48Å; L377-F436 HydrophobicContact CD2-CE2 3.71Å; L377-F436 HydrophobicContact CD2-CZ 4.01Å; L377-V438 HydrophobicContact CD1-CG2 4.26Å; L377-V454 HydrophobicContact CB-CG1 4.42Å; L377-Q455 WeakPolarHBondContact CA-O 3.23Å; L377-V456 HydrophobicContact CD2-CB 4.39Å; L377-V456 HydrophobicContact CD2-CG1 4.16Å; L377-V456 HydrophobicContact CD2-CG2 3.85Å
378V90.4Very high82.8Confident12 Ų1252.1 Ų52.17%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-115.8118174.6-170.90000108.5T360 N361 F362 V454 Q455 L457T360-V378 HydrophobicContact CG2-CG1 3.6Å; N361-V378 WeakPolarHBondContact O-CA 3.31Å; F362-V378 HydrophobicContact CD1-CB 4.41Å; F362-V378 HydrophobicContact CD1-CG1 4.13Å; F362-V378 HydrophobicContact CD1-CG2 3.81Å; F362-V378 HydrophobicContact CE1-CB 4.33Å; F362-V378 HydrophobicContact CE1-CG1 3.69Å; F362-V378 HydrophobicContact CE1-CG2 3.79Å; F362-V378 HydrophobicContact CZ-CG1 4.19Å; V378-V454 WeakPolarHBondContact O-CG1 3.35Å; V378-Q455 HydrophobicContact CB-CB 4.29Å; V378-Q455 PolarHBondContact N-O 2.84Å; V378-Q455 PolarHBondContact O-N 3.45Å; V378-L457 HydrophobicContact CG2-CD1 3.63Å; V378-L457 HydrophobicContact CG2-CG 3.88Å
379I89.2Confident82.2Confident0 Ų051 Ų510%029%0.29CS..EExtended strand (participates in β ladder)trans-107.6110.8-178.1-53.8170.5000107.8I355 T360 N361 I363 F384 F440 T451 V454I355-I379 HydrophobicContact CD1-CD1 4.14Å; T360-I379 WeakPolarHBondContact CA-O 3.37Å; N361-I379 HydrophobicContact CB-CB 4.44Å; N361-I379 PolarHBondContact N-O 3.11Å; N361-I379 PolarHBondContact O-N 3.12Å; I363-I379 HydrophobicContact CD1-CD1 3.87Å; I379-F384 HydrophobicContact CD1-CZ 4.07Å; I379-F384 HydrophobicContact CG2-CE2 3.85Å; I379-F384 HydrophobicContact CG2-CZ 3.78Å; I379-F440 HydrophobicContact CD1-CE1 3.82Å; I379-F440 HydrophobicContact CD1-CZ 3.5Å; I379-F440 VanDerWaalsContact CD1-CZ 3.5Å; I379-F440 HydrophobicContact CG1-CZ 4.49Å; I379-T451 HydrophobicContact CG2-CG2 4.22Å; I379-V454 HydrophobicContact CG1-CG1 4.07Å; I379-V454 HydrophobicContact CG1-CG2 4.24Å; I379-V454 HydrophobicContact CG2-CG2 4.45Å
380P86.8Confident82.1Confident41 Ų4147 Ų4727%0.26627%0.274SS..  trans-66.1157.5177.3-20.633.3000112.8S383 A453P380-S383 VanDerWaalsContact O-CB 3.3Å; P380-S383 WeakPolarHBondContact O-CB 3.26Å; P380-S383 PolarHBondContact O-N 3.43Å; P380-S383 PolarHBondContact O-OG 3.5Å; P380-A453 WeakPolarHBondContact CD-O 3.29Å; P380-A453 WeakPolarHBondContact CG-O 3.39Å
381P86.1Confident82.3Confident54 Ų5447.8 Ų47.835%0.35126%0.257SS..THydrogen-bonded Turntrans-62.6149.5176.628.1-36.7000112.2P357 G358 S383P357-P381 CarbonylContact O-C 3.35Å; P357-P381 VanDerWaalsContact O-CA 3.28Å; P357-P381 WeakPolarHBondContact O-CA 3.32Å; G358-P381 WeakPolarHBondContact O-CB 3.43Å; P381-S383 PolarHBondContact O-N 3.13Å
382H83.2Confident82.5Confident94 Ų9446 Ų4644%0.43525%0.248SC..THydrogen-bonded Turntrans57.222.4-176.1-49.9-86.3000115.2P357 I391 E393P357-H382 PolarHBondContact O-N 3.28Å; H382-I391 HydrophobicContact CB-CG2 4.08Å; H382-E393 IonicContact CE1-OE1 3.56Å; H382-E393 PolarHBondContact CE1-OE1 2.88Å; H382-E393 IonicContact ND1-OE1 2.72Å; H382-E393 PolarHBondContact ND1-OE1 3.16Å; H382-E393 VanDerWaalsContact ND1-OE1 3.16Å
383S82.9Confident82.8Confident17 Ų1749.2 Ų49.212%0.11926%0.26CS..  trans-77.3-22.3179.5-61.10000114.7P380 P381 T451 G452P380-S383 VanDerWaalsContact O-CB 3.3Å; P380-S383 WeakPolarHBondContact O-CB 3.26Å; P380-S383 PolarHBondContact O-N 3.43Å; P380-S383 PolarHBondContact O-OG 3.5Å; P381-S383 PolarHBondContact O-N 3.13Å; S383-T451 WeakPolarHBondContact O-CA 3.18Å; S383-G452 PolarHBondContact O-N 2.71Å
384F85.6Confident82.9Confident1 Ų148.7 Ų48.70%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-79.4139.5-176.6-64.2-75.9000111.9I355 P357 I379 I391 Y392 V396 F440 L449 G450 T451I355-F384 HydrophobicContact CG2-CE2 3.7Å; I355-F384 HydrophobicContact CG2-CZ 3.81Å; P357-F384 HydrophobicContact CB-CD2 3.87Å; P357-F384 HydrophobicContact CG-CD2 3.84Å; P357-F384 HydrophobicContact CG-CE2 4.43Å; I379-F384 HydrophobicContact CD1-CZ 4.07Å; I379-F384 HydrophobicContact CG2-CE2 3.85Å; I379-F384 HydrophobicContact CG2-CZ 3.78Å; F384-I391 WeakPolarHBondContact O-CA 3.32Å; F384-Y392 PolarHBondContact O-N 2.85Å; F384-V396 HydrophobicContact CD1-CG1 4.37Å; F384-V396 HydrophobicContact CD1-CG2 4.16Å; F384-V396 HydrophobicContact CD2-CG2 3.95Å; F384-V396 HydrophobicContact CE1-CG1 3.94Å; F384-V396 HydrophobicContact CE1-CG2 4.32Å; F384-V396 HydrophobicContact CE2-CG2 4.1Å; F384-V396 HydrophobicContact CG-CG2 3.97Å; F384-V396 HydrophobicContact CZ-CB 4.42Å; F384-V396 HydrophobicContact CZ-CG1 4.11Å; F384-V396 HydrophobicContact CZ-CG2 4.27Å; F384-F440 HydrophobicContact CD1-CD2 4.42Å; F384-F440 HydrophobicContact CD1-CG 4.45Å; F384-F440 HydrophobicContact CE1-CB 4.19Å; F384-F440 AromaticContact CE1-CD1 3.86Å; F384-F440 HydrophobicContact CE1-CD1 3.86Å; F384-F440 AromaticContact CE1-CD2 3.76Å; F384-F440 HydrophobicContact CE1-CD2 3.76Å; F384-F440 HydrophobicContact CE1-CE1 4.08Å; F384-F440 AromaticContact CE1-CE2 3.94Å; F384-F440 HydrophobicContact CE1-CE2 3.94Å; F384-F440 AromaticContact CE1-CG 3.7Å; F384-F440 HydrophobicContact CE1-CG 3.7Å; F384-F440 HydrophobicContact CE1-CZ 4.12Å; F384-F440 HydrophobicContact CZ-CD1 4.39Å; F384-F440 HydrophobicContact CZ-CE1 4.32Å; F384-F440 HydrophobicContact CZ-CZ 4.47Å; F384-L449 HydrophobicContact CD1-CB 4.49Å; F384-G450 WeakPolarHBondContact CA-O 3.5Å; F384-T451 HydrophobicContact CD1-CG2 4.17Å; F384-T451 WeakPolarHBondContact CD1-OG1 3.32Å; F384-T451 HydrophobicContact CE1-CG2 4.19Å
385H81.4Confident83.2Confident21 Ų2151 Ų5110%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-144.5157.5177.857-90.5000112.3V12 E390 L449 G450 T451V12-H385 VanDerWaalsContact CG2-NE2 3.31Å; V12-H385 WeakPolarHBondContact CG2-NE2 3.39Å; H385-E390 CarbonylContact C-O 3.58Å; H385-E390 WeakPolarHBondContact CA-O 3.45Å; H385-E390 WeakPolarHBondContact CB-O 3.37Å; H385-L449 CarbonylContact O-C 3.52Å; H385-L449 WeakPolarHBondContact O-CA 3.32Å; H385-G450 PolarHBondContact N-O 3.05Å; H385-G450 PolarHBondContact O-N 2.85Å; H385-T451 PolarHBondContact CE1-N 3.02Å; H385-T451 VanDerWaalsContact CE1-N 3.31Å
386K80.3Confident83.3Confident57 Ų5750.8 Ų50.825%0.24828%0.275CS..  trans-85.1166.7170.8-70-173.1172.6-122.90111.3N388 G389 E390 E447 L449K386-N388 WeakPolarHBondContact CB-OD1 3.23Å; K386-N388 PolarHBondContact O-N 3.48Å; K386-G389 PolarHBondContact O-N 2.89Å; K386-E390 PolarHBondContact N-O 3.45Å; K386-E447 IonicContact NZ-OE2 3.98Å; K386-E447 PolarHBondContact NZ-OE2 3.33Å; K386-L449 HydrophobicContact CG-CD2 4.08Å
387D70.6Confident83.4Confident126 Ų12650.7 Ų50.767%0.67427%0.274SS*.THydrogen-bonded Turntrans-56.8-14.4178.2-66.7-16.5000115
388N68.6Low83.3Confident94 Ų9450.8 Ų50.850%0.50328%0.275SS..THydrogen-bonded Turntrans-91.9-0.9174.967.3-5.5000114K386 E390K386-N388 WeakPolarHBondContact CB-OD1 3.23Å; K386-N388 PolarHBondContact O-N 3.48Å; N388-E390 PolarHBondContact ND2-OE2 2.83Å; N388-E390 WeakPolarHBondContact OD1-CB 3.41Å; N388-E390 PolarHBondContact OD1-N 3.38Å
389G66.8Low83.3Confident28 Ų2850.6 Ų50.629%0.28927%0.274SS..SBendtrans843.7-176.800000115.4K386K386-G389 PolarHBondContact O-N 2.89Å
390E76.3Confident83.4Confident125 Ų12551.4 Ų51.458%0.58428%0.279SS*.PPolyproline II helixtrans-77.2136.1175-66.4178.4151.100111.3H385 K386 N388H385-E390 CarbonylContact C-O 3.58Å; H385-E390 WeakPolarHBondContact CA-O 3.45Å; H385-E390 WeakPolarHBondContact CB-O 3.37Å; K386-E390 PolarHBondContact N-O 3.45Å; N388-E390 PolarHBondContact ND2-OE2 2.83Å; N388-E390 WeakPolarHBondContact OD1-CB 3.41Å; N388-E390 PolarHBondContact OD1-N 3.38Å
391I80.8Confident83.5Confident104 Ų10449.6 Ų49.653%0.53327%0.267SS..BIsolated β-bridgetrans-66.1136177.1-62.1174000109.6H382 F384 E393H382-I391 HydrophobicContact CB-CG2 4.08Å; F384-I391 WeakPolarHBondContact O-CA 3.32Å; I391-E393 HydrophobicContact CG2-CG 4.33Å
392Y84.3Confident83.7Confident22 Ų2247.3 Ų47.39%0.08625%0.252CS..PPolyproline II helixtrans-103.7125.4178.9-179.9-94.2000111.3P357 F384 G394 T395 V396 D442 L449P357-Y392 VanDerWaalsContact CB-O 3.25Å; P357-Y392 WeakPolarHBondContact CB-O 3.27Å; P357-Y392 HydrophobicContact CG-CD1 4.28Å; P357-Y392 WeakPolarHBondContact CG-O 3.17Å; F384-Y392 PolarHBondContact O-N 2.85Å; Y392-G394 WeakPolarHBondContact CE1-O 3.04Å; Y392-T395 PolarHBondContact OH-O 3.12Å; Y392-V396 HydrophobicContact CD1-CG2 3.89Å; Y392-V396 HydrophobicContact CE1-CG2 3.79Å; Y392-D442 HydrophobicContact CE2-CB 4.02Å; Y392-D442 PolarHBondContact OH-OD1 2.77Å; Y392-L449 HydrophobicContact CD1-CD1 3.45Å; Y392-L449 VanDerWaalsContact CD1-CD1 3.45Å; Y392-L449 HydrophobicContact CD1-CD2 4.2Å; Y392-L449 HydrophobicContact CD1-CG 4.49Å; Y392-L449 HydrophobicContact CD2-CD2 3.99Å; Y392-L449 HydrophobicContact CE1-CD1 3.59Å; Y392-L449 HydrophobicContact CG-CD1 3.95Å; Y392-L449 HydrophobicContact CG-CD2 3.81Å
393E85.9Confident84Confident139 Ų13943 Ų4365%0.6523%0.232SC*.  trans-115.16-175.7-56.2-166.9138.100114H382 I391H382-E393 IonicContact CE1-OE1 3.56Å; H382-E393 PolarHBondContact CE1-OE1 2.88Å; H382-E393 IonicContact ND1-OE1 2.72Å; H382-E393 PolarHBondContact ND1-OE1 3.16Å; H382-E393 VanDerWaalsContact ND1-OE1 3.16Å; I391-E393 HydrophobicContact CG2-CG 4.33Å
394G86.9Confident84.2Confident30 Ų3042.6 Ų42.631%0.30923%0.228SC..SBendtrans-83.8178.5176.700000113.7P357 Y392 V396P357-G394 WeakPolarHBondContact CD-O 3.43Å; P357-G394 WeakPolarHBondContact CG-O 3.25Å; Y392-G394 WeakPolarHBondContact CE1-O 3.04Å; G394-V396 PolarHBondContact O-N 2.75Å
395T91.4Very high84.2Confident55 Ų5542.6 Ų42.634%0.33723%0.229SC..  trans-61.9124.7175.2-34.90000111.1D354 Y392 E443D354-T395 HydrophobicContact CB-CG2 4.3Å; Y392-T395 PolarHBondContact OH-O 3.12Å; T395-E443 WeakPolarHBondContact CB-OE2 3.1Å; T395-E443 PolarHBondContact O-N 2.84Å; T395-E443 PolarHBondContact OG1-OE2 3.27Å
396V90.8Very high84.3Confident0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-95127.7172.8179.20000109.5I355 P357 F384 Y392 G394 F440 R441 L449I355-V396 HydrophobicContact CB-CB 4.14Å; I355-V396 HydrophobicContact CG2-CB 4.11Å; I355-V396 PolarHBondContact N-O 2.92Å; I355-V396 PolarHBondContact O-N 3.32Å; P357-V396 HydrophobicContact CG-CG2 3.71Å; F384-V396 HydrophobicContact CD1-CG1 4.37Å; F384-V396 HydrophobicContact CD1-CG2 4.16Å; F384-V396 HydrophobicContact CD2-CG2 3.95Å; F384-V396 HydrophobicContact CE1-CG1 3.94Å; F384-V396 HydrophobicContact CE1-CG2 4.32Å; F384-V396 HydrophobicContact CE2-CG2 4.1Å; F384-V396 HydrophobicContact CG-CG2 3.97Å; F384-V396 HydrophobicContact CZ-CB 4.42Å; F384-V396 HydrophobicContact CZ-CG1 4.11Å; F384-V396 HydrophobicContact CZ-CG2 4.27Å; Y392-V396 HydrophobicContact CD1-CG2 3.89Å; Y392-V396 HydrophobicContact CE1-CG2 3.79Å; G394-V396 PolarHBondContact O-N 2.75Å; V396-F440 HydrophobicContact CG1-CB 4.05Å; V396-F440 HydrophobicContact CG1-CD1 4.09Å; V396-F440 HydrophobicContact CG1-CG 4.43Å; V396-R441 CarbonylContact C-O 3.52Å; V396-R441 WeakPolarHBondContact CA-O 3.3Å; V396-L449 HydrophobicContact CB-CD1 4.49Å; V396-L449 HydrophobicContact CG1-CD1 4.26Å; V396-L449 HydrophobicContact CG2-CD1 3.71Å
397K91.9Very high84.4Confident43 Ų4343.1 Ų43.119%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-87.6112.6164.1-58.3-54.1-172-1630108.3P352 D354 R441 E443P352-K397 HydrophobicContact CB-CB 4.06Å; D354-K397 WeakPolarHBondContact OD1-CD 3.32Å; D354-K397 WeakPolarHBondContact OD1-CE 3.34Å; D354-K397 IonicContact OD1-NZ 2.66Å; D354-K397 PolarHBondContact OD1-NZ 3.05Å; D354-K397 IonicContact OD2-NZ 2.66Å; D354-K397 PolarHBondContact OD2-NZ 2.84Å; K397-R441 PolarHBondContact N-O 3.04Å; K397-R441 PolarHBondContact O-N 2.85Å; K397-E443 HydrophobicContact CD-CB 4.44Å; K397-E443 WeakPolarHBondContact CE-OE1 3.39Å; K397-E443 HydrophobicContact CG-CB 4.18Å; K397-E443 VanDerWaalsContact NZ-CD 3.31Å; K397-E443 IonicContact NZ-OE1 3.33Å; K397-E443 PolarHBondContact NZ-OE1 2.63Å; K397-E443 IonicContact NZ-OE2 3.66Å
398A90Very high84.8Confident4 Ų440 Ų403%0.03322%0.216CC..EExtended strand (participates in β ladder)trans-107.5113.6-176.800000111.4P352 V353 I355 I363 F440P352-A398 CarbonylContact C-O 3.5Å; P352-A398 VanDerWaalsContact CA-O 3.31Å; P352-A398 WeakPolarHBondContact CA-O 3.38Å; V353-A398 PolarHBondContact N-O 3.04Å; V353-A398 PolarHBondContact O-N 3.14Å; I355-A398 HydrophobicContact CD1-CB 3.58Å; I355-A398 HydrophobicContact CG1-CB 4.11Å; I363-A398 HydrophobicContact CD1-CB 4.37Å; A398-F440 HydrophobicContact CB-CD1 3.61Å; A398-F440 HydrophobicContact CB-CE1 3.69Å
399S89.8Confident85.2Confident8 Ų839.9 Ų39.96%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-103.3109.3167.5-175.80000109.2Q350 D439Q350-S399 PolarHBondContact O-OG 2.96Å; S399-D439 PolarHBondContact N-O 3.07Å; S399-D439 PolarHBondContact O-N 2.98Å
400V90.7Very high85.9Confident17 Ų1739.1 Ų39.110%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-109.6128.1168.2179.30000107.3Q350 I363 L365 L377 S437 V438Q350-V400 VanDerWaalsContact CB-O 3.31Å; Q350-V400 WeakPolarHBondContact CB-O 3.4Å; Q350-V400 WeakPolarHBondContact CG-O 3.49Å; I363-V400 HydrophobicContact CD1-CG2 3.63Å; I363-V400 HydrophobicContact CG2-CB 4.03Å; I363-V400 HydrophobicContact CG2-CG1 4.49Å; I363-V400 HydrophobicContact CG2-CG2 4Å; L365-V400 HydrophobicContact CD2-CG1 3.82Å; L377-V400 HydrophobicContact CD1-CG1 3.97Å; L377-V400 HydrophobicContact CD1-CG2 4.03Å; V400-S437 WeakPolarHBondContact CA-O 3.44Å; V400-V438 HydrophobicContact CG2-CG1 4.19Å; V400-V438 HydrophobicContact CG2-CG2 4.29Å
401T89.9Confident86.2Confident3 Ų333.1 Ų33.12%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-124.4125.4177.4-510000109.5I325 Q350 F436 S437I325-T401 HydrophobicContact CD1-CG2 3.75Å; Q350-T401 HydrophobicContact CG-CG2 4.09Å; Q350-T401 PolarHBondContact N-OG1 3.08Å; T401-F436 VanDerWaalsContact O-CA 3.26Å; T401-F436 WeakPolarHBondContact O-CA 3.45Å; T401-S437 PolarHBondContact N-O 2.82Å; T401-S437 PolarHBondContact O-N 2.95Å
402F90.2Very high86.1Confident6 Ų630.1 Ų30.13%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-110.6122.7-174.2-179.8-111.2000111.1L365 I374 D404 M435 F436L365-F402 HydrophobicContact CB-CD2 3.97Å; L365-F402 HydrophobicContact CB-CE2 4.12Å; L365-F402 HydrophobicContact CB-CG 4.26Å; L365-F402 HydrophobicContact CD2-CB 4.48Å; L365-F402 HydrophobicContact CD2-CD2 4.21Å; I374-F402 HydrophobicContact CB-CE1 4.4Å; I374-F402 HydrophobicContact CB-CZ 4.05Å; I374-F402 HydrophobicContact CD1-CE1 4.01Å; I374-F402 HydrophobicContact CD1-CZ 3.92Å; I374-F402 HydrophobicContact CG1-CZ 4.5Å; I374-F402 HydrophobicContact CG2-CZ 4.3Å; F402-D404 VanDerWaalsContact C-N 3.33Å; F402-D404 HydrophobicContact CD1-CB 3.73Å; F402-D404 HydrophobicContact CE1-CB 3.66Å; F402-D404 PolarHBondContact O-N 2.74Å; F402-D404 VanDerWaalsContact O-N 3.1Å; F402-M435 WeakPolarHBondContact CD2-O 3.42Å; F402-F436 HydrophobicContact CD2-CB 4.18Å
403I89Confident86Confident3 Ų329.2 Ų29.22%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-85.881.5175.8-50.3-177000107.4M347 P405 P415 M435M347-I403 HydrophobicContact CG-CD1 4.27Å; M347-I403 HydrophobicContact CG-CG1 4.33Å; I403-P405 WeakPolarHBondContact O-CD 3.33Å; I403-P415 HydrophobicContact CD1-CG 4.45Å; I403-M435 HydrophobicContact CB-CB 4.23Å; I403-M435 HydrophobicContact CB-CE 3.98Å; I403-M435 HydrophobicContact CD1-CB 4.31Å; I403-M435 HydrophobicContact CD1-CE 4.28Å; I403-M435 HydrophobicContact CG1-CB 4.45Å; I403-M435 HydrophobicContact CG2-CE 3.72Å; I403-M435 PolarHBondContact N-O 3.42Å
404D86.9Confident85.8Confident8 Ų822.8 Ų22.84%0.04314%0.139CC..  trans-63.4119.2-176.8-161.7-39.8000111.2F402 R406 N407 T410F402-D404 VanDerWaalsContact C-N 3.33Å; F402-D404 HydrophobicContact CD1-CB 3.73Å; F402-D404 HydrophobicContact CE1-CB 3.66Å; F402-D404 PolarHBondContact O-N 2.74Å; F402-D404 VanDerWaalsContact O-N 3.1Å; D404-R406 PolarHBondContact O-N 3.25Å; D404-R406 WeakPolarHBondContact OD1-CB 3.47Å; D404-R406 VanDerWaalsContact OD1-CG 3.26Å; D404-R406 WeakPolarHBondContact OD1-CG 3.4Å; D404-R406 IonicContact OD1-CZ 2.77Å; D404-R406 PolarHBondContact OD1-N 3.04Å; D404-R406 IonicContact OD1-NE 3.65Å; D404-R406 PolarHBondContact OD1-NE 2.67Å; D404-R406 IonicContact OD1-NH2 3.1Å; D404-R406 IonicContact OD2-CZ 3.66Å; D404-R406 VanDerWaalsContact OD2-CZ 3.3Å; D404-R406 IonicContact OD2-NE 2.69Å; D404-R406 PolarHBondContact OD2-NE 3.5Å; D404-R406 VanDerWaalsContact OD2-NE 3.1Å; D404-R406 IonicContact OD2-NH2 3.03Å; D404-R406 PolarHBondContact OD2-NH2 2.82Å; D404-N407 PolarHBondContact O-N 2.84Å; D404-T410 PolarHBondContact O-OG1 2.93Å
405P86.3Confident85.2Confident2 Ų221.5 Ų21.51%0.01313%0.125CC..THydrogen-bonded Turntrans-72.3-14.6-179.9-14.329000113.3I403 N407 T432 Y433 A573 W574I403-P405 WeakPolarHBondContact O-CD 3.33Å; P405-N407 PolarHBondContact O-N 3.2Å; P405-N407 VanDerWaalsContact O-N 3.14Å; P405-T432 HydrophobicContact CG-CG2 4.48Å; P405-Y433 VanDerWaalsContact CG-C 3.49Å; P405-A573 CarbonylContact O-C 3.55Å; P405-A573 VanDerWaalsContact O-CA 3.29Å; P405-A573 WeakPolarHBondContact O-CA 3.41Å; P405-W574 HydrophobicContact CB-CD2 4.4Å; P405-W574 HydrophobicContact CB-CG 4.35Å; P405-W574 WeakPolarHBondContact CB-O 3.37Å; P405-W574 PolarHBondContact O-N 2.83Å
406R82.4Confident84.3Confident26 Ų2619.3 Ų19.310%0.09811%0.113CC..THydrogen-bonded Turntrans-68.3-5.7176.2-58.8175.6-69.1-176.1-10.5113.5I368 E371 D372 I374 D404 R572I368-R406 HydrophobicContact CD1-CB 3.57Å; E371-R406 VanDerWaalsContact OE2-CD 3.28Å; E371-R406 WeakPolarHBondContact OE2-CD 3.13Å; E371-R406 IonicContact OE2-CZ 3.81Å; E371-R406 IonicContact OE2-NE 3.46Å; E371-R406 IonicContact OE2-NH1 2.61Å; E371-R406 PolarHBondContact OE2-NH1 3.16Å; D372-R406 PolarHBondContact O-NH1 2.98Å; D372-R406 PolarHBondContact O-NH2 2.89Å; D372-R406 VanDerWaalsContact O-NH2 3.14Å; I374-R406 HydrophobicContact CD1-CG 4.21Å; D404-R406 PolarHBondContact O-N 3.25Å; D404-R406 WeakPolarHBondContact OD1-CB 3.47Å; D404-R406 VanDerWaalsContact OD1-CG 3.26Å; D404-R406 WeakPolarHBondContact OD1-CG 3.4Å; D404-R406 IonicContact OD1-CZ 2.77Å; D404-R406 PolarHBondContact OD1-N 3.04Å; D404-R406 IonicContact OD1-NE 3.65Å; D404-R406 PolarHBondContact OD1-NE 2.67Å; D404-R406 IonicContact OD1-NH2 3.1Å; D404-R406 IonicContact OD2-CZ 3.66Å; D404-R406 VanDerWaalsContact OD2-CZ 3.3Å; D404-R406 IonicContact OD2-NE 2.69Å; D404-R406 PolarHBondContact OD2-NE 3.5Å; D404-R406 VanDerWaalsContact OD2-NE 3.1Å; D404-R406 IonicContact OD2-NH2 3.03Å; D404-R406 PolarHBondContact OD2-NH2 2.82Å; R406-R572 CarbonylContact C-O 3.57Å; R406-R572 VanDerWaalsContact C-O 3.23Å; R406-R572 WeakPolarHBondContact CA-O 3.27Å; R406-R572 HydrophobicContact CB-CB 4.4Å; R406-R572 VanDerWaalsContact O-O 3.06Å
407N82.9Confident83.6Confident62 Ų6220 Ų2033%0.33212%0.117SC..SBendtrans-113.4107.6169177.113000110.4D404 P405 T409 T410D404-N407 PolarHBondContact O-N 2.84Å; P405-N407 PolarHBondContact O-N 3.2Å; P405-N407 VanDerWaalsContact O-N 3.14Å; N407-T409 PolarHBondContact ND2-OG1 3.46Å; N407-T409 PolarHBondContact O-N 2.8Å; N407-T409 PolarHBondContact OD1-N 2.85Å; N407-T409 VanDerWaalsContact OD1-N 3.1Å; N407-T409 PolarHBondContact OD1-OG1 3.3Å; N407-T409 VanDerWaalsContact OD1-OG1 3.1Å; N407-T410 HydrophobicContact CB-CG2 4.05Å; N407-T410 PolarHBondContact O-N 3.16Å; N407-T410 VanDerWaalsContact O-N 3.07Å; N407-T410 PolarHBondContact O-OG1 3.04Å
408I78.8Confident83.4Confident62 Ų6218.1 Ų18.132%0.31811%0.109SC..G310 helixtrans-56.8-23.2179.6-163.3173.3000114.3T410 A411 I559 L561 Y604I408-T410 VanDerWaalsContact C-N 3.26Å; I408-T410 PolarHBondContact O-N 3Å; I408-A411 WeakPolarHBondContact O-CB 3.18Å; I408-A411 PolarHBondContact O-N 3.48Å; I408-I559 HydrophobicContact CD1-CD1 4.35Å; I408-I559 HydrophobicContact CG1-CD1 4.05Å; I408-L561 HydrophobicContact CD1-CD1 4.01Å; I408-L561 HydrophobicContact CD1-CD2 3.84Å; I408-L561 HydrophobicContact CG1-CD2 4.19Å; I408-Y604 HydrophobicContact CD1-CD1 4.08Å; I408-Y604 HydrophobicContact CD1-CG 4.21Å
409T78.4Confident83.3Confident91 Ų9118.8 Ų18.856%0.55811%0.112SC*.G310 helixtrans-71.1-21.9179.173.60000113N407 A411N407-T409 PolarHBondContact ND2-OG1 3.46Å; N407-T409 PolarHBondContact O-N 2.8Å; N407-T409 PolarHBondContact OD1-N 2.85Å; N407-T409 VanDerWaalsContact OD1-N 3.1Å; N407-T409 PolarHBondContact OD1-OG1 3.3Å; N407-T409 VanDerWaalsContact OD1-OG1 3.1Å; T409-A411 VanDerWaalsContact C-N 3.29Å; T409-A411 PolarHBondContact O-N 3.13Å
410T80.8Confident83.3Confident11 Ų1119.4 Ų19.47%0.06711%0.114CC..G310 helixtrans-72.4-22.2178.467.40000112.7D404 N407 I408 A412 A413 A414 W574D404-T410 PolarHBondContact O-OG1 2.93Å; N407-T410 HydrophobicContact CB-CG2 4.05Å; N407-T410 PolarHBondContact O-N 3.16Å; N407-T410 VanDerWaalsContact O-N 3.07Å; N407-T410 PolarHBondContact O-OG1 3.04Å; I408-T410 VanDerWaalsContact C-N 3.26Å; I408-T410 PolarHBondContact O-N 3Å; T410-A412 VanDerWaalsContact C-N 3.28Å; T410-A412 PolarHBondContact O-N 3.11Å; T410-A413 CarbonylContact O-C 3.5Å; T410-A413 WeakPolarHBondContact O-CA 3.35Å; T410-A413 WeakPolarHBondContact O-CB 3.49Å; T410-A413 PolarHBondContact O-N 2.91Å; T410-A414 PolarHBondContact O-N 3.32Å; T410-W574 PolarHBondContact OG1-NE1 2.96Å
411A81.5Confident83.3Confident0 Ų019.3 Ų19.30%011%0.113CC..G310 helixtrans-56.2-37.4-177.400000113.6I408 T409 A413 A414 I559 W574 F577I408-A411 WeakPolarHBondContact O-CB 3.18Å; I408-A411 PolarHBondContact O-N 3.48Å; T409-A411 VanDerWaalsContact C-N 3.29Å; T409-A411 PolarHBondContact O-N 3.13Å; A411-A413 VanDerWaalsContact C-N 3.27Å; A411-A413 PolarHBondContact O-N 2.87Å; A411-A414 WeakPolarHBondContact O-CB 3.38Å; A411-A414 PolarHBondContact O-N 2.95Å; A411-I559 HydrophobicContact CB-CD1 4.1Å; A411-I559 HydrophobicContact CB-CG2 4.32Å; A411-W574 HydrophobicContact CB-CD2 3.67Å; A411-W574 HydrophobicContact CB-CE3 4.15Å; A411-W574 HydrophobicContact CB-CG 3.94Å; A411-W574 HydrophobicContact CB-CZ2 4.16Å; A411-F577 HydrophobicContact CB-CD2 4.17Å
412A78.6Confident83.2Confident41 Ų4120.4 Ų20.434%0.33912%0.119SC..G310 helixtrans-67.6-29.1176.900000112.8K329 K345 T410K329-A412 PolarHBondContact NZ-O 3.42Å; K345-A412 HydrophobicContact CB-CB 4.43Å; K345-A412 HydrophobicContact CG-CB 3.81Å; T410-A412 VanDerWaalsContact C-N 3.28Å; T410-A412 PolarHBondContact O-N 3.11Å
413A82.3Confident83Confident2 Ų225.6 Ų25.62%0.01714%0.143CC..G310 helixtrans-88.4-0.3177.500000113.5A275 K345 M347 T410 A411A275-A413 HydrophobicContact CB-CB 3.78Å; K345-A413 HydrophobicContact CB-CB 3.72Å; M347-A413 HydrophobicContact CG-CB 3.91Å; M347-A413 HydrophobicContact SD-CB 3.71Å; T410-A413 CarbonylContact O-C 3.5Å; T410-A413 WeakPolarHBondContact O-CA 3.35Å; T410-A413 WeakPolarHBondContact O-CB 3.49Å; T410-A413 PolarHBondContact O-N 2.91Å; A411-A413 VanDerWaalsContact C-N 3.27Å; A411-A413 PolarHBondContact O-N 2.87Å
414A81.9Confident82.9Confident5 Ų530.9 Ų30.94%0.04117%0.168CC..  trans-59.5128.1174.700000111.1K329 T410 A411 M435 W574K329-A414 PolarHBondContact NZ-O 2.8Å; T410-A414 PolarHBondContact O-N 3.32Å; A411-A414 WeakPolarHBondContact O-CB 3.38Å; A411-A414 PolarHBondContact O-N 2.95Å; A414-M435 HydrophobicContact CB-CE 3.83Å; A414-M435 HydrophobicContact CB-SD 4.35Å; A414-W574 HydrophobicContact CB-CH2 3.59Å; A414-W574 HydrophobicContact CB-CZ2 4.12Å; A414-W574 HydrophobicContact CB-CZ3 4.46Å
415P74.4Confident82.8Confident2 Ų230.6 Ų30.61%0.01317%0.167CC..  trans-75152.1172.932.6-38.3000111.9P328 I403 M435 L477 L522P328-P415 HydrophobicContact CG-CB 4.21Å; P328-P415 WeakPolarHBondContact O-CA 3.37Å; I403-P415 HydrophobicContact CD1-CG 4.45Å; P415-M435 HydrophobicContact CG-SD 3.99Å; P415-L477 HydrophobicContact CB-CD2 3.7Å; P415-L477 HydrophobicContact CG-CD2 4.16Å; P415-L522 HydrophobicContact CB-CD1 3.85Å; P415-L522 HydrophobicContact CG-CD1 3.76Å; P415-L522 HydrophobicContact CG-CD2 4.09Å; P415-L522 HydrophobicContact CG-CG 4.33Å
416G73.6Confident82.8Confident10 Ų1033.5 Ų33.510%0.10318%0.182CC..SBendtrans66.5-161.8-177.100000114.8P328P328-G416 PolarHBondContact O-N 3.28Å; P328-G416 VanDerWaalsContact O-N 3.11Å
417D76.2Confident82.8Confident14 Ų1435.6 Ų35.68%0.07519%0.194CC..  trans-125.621.2178.366.1-25.7000112.7R312 V330 N419 R576R312-D417 IonicContact CZ-OD1 3.91Å; R312-D417 IonicContact CZ-OD2 2.75Å; R312-D417 IonicContact NH1-OD1 3.16Å; R312-D417 IonicContact NH1-OD2 3.18Å; R312-D417 PolarHBondContact NH1-OD2 3.29Å; R312-D417 VanDerWaalsContact NH2-CG 3.33Å; R312-D417 IonicContact NH2-OD1 3.25Å; R312-D417 PolarHBondContact NH2-OD1 2.96Å; R312-D417 IonicContact NH2-OD2 3.28Å; R312-D417 PolarHBondContact NH2-OD2 2.88Å; V330-D417 HydrophobicContact CB-CB 4.41Å; V330-D417 HydrophobicContact CG1-CB 4.42Å; D417-N419 VanDerWaalsContact C-N 3.25Å; D417-N419 PolarHBondContact O-N 3.28Å; D417-N419 PolarHBondContact O-ND2 2.9Å; D417-N419 PolarHBondContact OD2-ND2 3.46Å; D417-R576 PolarHBondContact O-NH1 2.83Å; D417-R576 PolarHBondContact O-NH2 3.15Å
418L87.4Confident83Confident4 Ų434 Ų342%0.02119%0.185CC..SBendtrans47.641.9-177.8-67.7175.2000113.6L430 T432 M435 W484 N524 W574 R576L418-L430 WeakPolarHBondContact O-CB 3.35Å; L418-L430 PolarHBondContact O-N 2.8Å; L418-T432 HydrophobicContact CD1-CG2 3.87Å; L418-M435 HydrophobicContact CD2-SD 4.41Å; L418-W484 HydrophobicContact CD2-CZ2 4.33Å; L418-N524 WeakPolarHBondContact CD2-ND2 2.93Å; L418-W574 HydrophobicContact CD1-CH2 4.39Å; L418-W574 HydrophobicContact CD1-CZ3 3.81Å; L418-R576 PolarHBondContact O-NH1 2.85Å
419N88Confident83.5Confident18 Ų1831.5 Ų31.510%0.09617%0.173CC..EExtended strand (participates in β ladder)trans-115.8142.2177.2-70-38.4000111.3D417 M427 L428 P429 V483 W484 R576D417-N419 VanDerWaalsContact C-N 3.25Å; D417-N419 PolarHBondContact O-N 3.28Å; D417-N419 PolarHBondContact O-ND2 2.9Å; D417-N419 PolarHBondContact OD2-ND2 3.46Å; N419-M427 HydrophobicContact CB-CG 3.8Å; N419-M427 HydrophobicContact CB-SD 4.02Å; N419-L428 WeakPolarHBondContact CA-O 3.44Å; N419-P429 VanDerWaalsContact OD1-CA 3.23Å; N419-P429 WeakPolarHBondContact OD1-CA 3.4Å; N419-V483 WeakPolarHBondContact O-CG1 3.35Å; N419-W484 PolarHBondContact O-N 2.77Å; N419-R576 PolarHBondContact OD1-NH1 3.13Å; N419-R576 PolarHBondContact OD1-NH2 3.03Å
420F90.2Very high84.1Confident20 Ų2027.1 Ų27.19%0.08815%0.146CC..EExtended strand (participates in β ladder)trans-119.1175.3171.780.5-80.5000110.5D422 M427 L428 L430 W475 W484 P528F420-D422 HydrophobicContact CE2-CB 4.28Å; F420-M427 WeakPolarHBondContact O-CA 3.47Å; F420-L428 HydrophobicContact CD1-CB 3.93Å; F420-L428 WeakPolarHBondContact CD1-O 3.41Å; F420-L428 HydrophobicContact CE1-CB 3.45Å; F420-L428 VanDerWaalsContact CE1-CB 3.45Å; F420-L428 HydrophobicContact CE1-CD1 4.22Å; F420-L428 HydrophobicContact CE1-CG 4.43Å; F420-L428 HydrophobicContact CE2-CB 4.46Å; F420-L428 HydrophobicContact CE2-CD1 4.29Å; F420-L428 HydrophobicContact CZ-CB 3.76Å; F420-L428 HydrophobicContact CZ-CD1 3.69Å; F420-L428 HydrophobicContact CZ-CG 4.26Å; F420-L428 PolarHBondContact N-O 2.83Å; F420-L428 PolarHBondContact O-N 3.24Å; F420-L430 HydrophobicContact CB-CD1 4.46Å; F420-L430 HydrophobicContact CB-CD2 4.35Å; F420-L430 HydrophobicContact CB-CG 4.29Å; F420-L430 HydrophobicContact CD1-CD2 3.32Å; F420-L430 HydrophobicContact CD1-CG 3.73Å; F420-L430 HydrophobicContact CE1-CD2 3.76Å; F420-L430 HydrophobicContact CG-CD2 4.03Å; F420-L430 HydrophobicContact CG-CG 4.39Å; F420-W475 HydrophobicContact CB-CE3 4.19Å; F420-W475 HydrophobicContact CB-CH2 4.3Å; F420-W475 HydrophobicContact CB-CZ3 3.66Å; F420-W475 HydrophobicContact CD1-CH2 4.27Å; F420-W475 HydrophobicContact CD1-CZ3 4.46Å; F420-W475 AromaticContact CD2-CH2 3.73Å; F420-W475 HydrophobicContact CD2-CH2 3.73Å; F420-W475 AromaticContact CD2-CZ3 3.71Å; F420-W475 HydrophobicContact CD2-CZ3 3.71Å; F420-W475 HydrophobicContact CE2-CH2 4.03Å; F420-W475 HydrophobicContact CE2-CZ3 4.45Å; F420-W475 AromaticContact CG-CH2 3.86Å; F420-W475 HydrophobicContact CG-CH2 3.86Å; F420-W475 AromaticContact CG-CZ3 3.71Å; F420-W475 HydrophobicContact CG-CZ3 3.71Å; F420-W475 HydrophobicContact CZ-CH2 4.4Å; F420-W484 HydrophobicContact CB-CB 4.4Å; F420-W484 WeakPolarHBondContact CB-O 3.41Å; F420-P528 HydrophobicContact CE1-CB 3.71Å; F420-P528 HydrophobicContact CE1-CG 3.96Å; F420-P528 HydrophobicContact CZ-CB 3.72Å; F420-P528 HydrophobicContact CZ-CG 3.81Å
421V89.2Confident84.4Confident16 Ų1626.6 Ų26.610%0.09714%0.143CC..EExtended strand (participates in β ladder)trans-122.3128.7174.8176.10000109.7K84 S160 I161 D426 V483K84-V421 PolarHBondContact NZ-O 3.21Å; S160-V421 VanDerWaalsContact O-CG1 3.3Å; S160-V421 WeakPolarHBondContact O-CG1 3.01Å; I161-V421 HydrophobicContact CD1-CB 4.44Å; I161-V421 HydrophobicContact CD1-CG1 3.8Å; I161-V421 HydrophobicContact CD1-CG2 3.73Å; V421-D426 WeakPolarHBondContact CA-O 3.22Å; V421-V483 HydrophobicContact CG2-CG1 3.99Å
422D88.1Confident84.8Confident25 Ų2526.7 Ų26.713%0.13414%0.143CC..  trans-78.9-162-179.76221.9000113K84 F420 E424 G425 D426 L428K84-D422 PolarHBondContact NZ-O 3.49Å; F420-D422 HydrophobicContact CE2-CB 4.28Å; D422-E424 WeakPolarHBondContact OD1-CA 3.38Å; D422-E424 WeakPolarHBondContact OD1-CB 3.01Å; D422-E424 PolarHBondContact OD1-N 3.27Å; D422-E424 VanDerWaalsContact OD1-N 3.09Å; D422-G425 PolarHBondContact OD1-N 2.93Å; D422-D426 PolarHBondContact N-O 3.43Å; D422-D426 PolarHBondContact OD1-N 3.31Å; D422-L428 HydrophobicContact CB-CD1 3.91Å; D422-L428 HydrophobicContact CB-CG 4.41Å; D422-L428 VanDerWaalsContact OD2-CD1 3.32Å; D422-L428 WeakPolarHBondContact OD2-CD1 3.38Å
423E85.5Confident85.2Confident116 Ų11625.3 Ų25.354%0.54213%0.13SC..SBendtrans-88.2-26.6177.1-60.3-49.2122.100111.8K84 S160 G425K84-E423 WeakPolarHBondContact CE-OE1 3.36Å; K84-E423 IonicContact NZ-OE1 2.87Å; K84-E423 PolarHBondContact NZ-OE1 3.5Å; S160-E423 PolarHBondContact OG-O 3.08Å; E423-G425 PolarHBondContact O-N 3.04Å
424E86.7Confident85.5Confident114 Ų11425.2 Ų25.253%0.53313%0.129SC..SBendtrans-68.2-15.8170.4-74.458-134.600112.7K153 K162 D422 D426K153-E424 WeakPolarHBondContact CE-O 3.2Å; K153-E424 PolarHBondContact NZ-O 3Å; K162-E424 VanDerWaalsContact CE-O 3.27Å; K162-E424 WeakPolarHBondContact CE-O 3.1Å; D422-E424 WeakPolarHBondContact OD1-CA 3.38Å; D422-E424 WeakPolarHBondContact OD1-CB 3.01Å; D422-E424 PolarHBondContact OD1-N 3.27Å; D422-E424 VanDerWaalsContact OD1-N 3.09Å; E424-D426 VanDerWaalsContact C-N 3.35Å
425G85.5Confident85.9Confident2 Ų225 Ų252%0.02113%0.127CC..  trans79.817.9179.900000113.3S160 K162 D422 E423S160-G425 WeakPolarHBondContact O-CA 3.39Å; S160-G425 WeakPolarHBondContact OG-CA 3.18Å; S160-G425 PolarHBondContact OG-N 3.27Å; K162-G425 WeakPolarHBondContact CG-O 3.32Å; K162-G425 PolarHBondContact N-O 2.86Å; D422-G425 PolarHBondContact OD1-N 2.93Å; E423-G425 PolarHBondContact O-N 3.04Å
426D85.6Confident86.7Confident63 Ų6324.9 Ų24.934%0.33713%0.126SC..  trans-85.5147.7171-71.8-60.5000110.5K162 V421 D422 E424 L428K162-D426 WeakPolarHBondContact CD-OD1 3.46Å; K162-D426 WeakPolarHBondContact CE-OD1 3.39Å; K162-D426 WeakPolarHBondContact CE-OD2 3.43Å; K162-D426 IonicContact NZ-OD1 3.99Å; K162-D426 PolarHBondContact NZ-OD1 2.83Å; K162-D426 IonicContact NZ-OD2 2.81Å; K162-D426 PolarHBondContact NZ-OD2 2.9Å; V421-D426 WeakPolarHBondContact CA-O 3.22Å; D422-D426 PolarHBondContact N-O 3.43Å; D422-D426 PolarHBondContact OD1-N 3.31Å; E424-D426 VanDerWaalsContact C-N 3.35Å; D426-L428 HydrophobicContact CB-CD2 4.25Å
427M84.4Confident87.5Confident70 Ų7025 Ų2535%0.34513%0.125SC..EExtended strand (participates in β ladder)trans-89.2118.3176.6-175.2171.6-7400109.5N419 F420 V483N419-M427 HydrophobicContact CB-CG 3.8Å; N419-M427 HydrophobicContact CB-SD 4.02Å; F420-M427 WeakPolarHBondContact O-CA 3.47Å; M427-V483 HydrophobicContact CE-CG2 4.04Å
428L86.3Confident88.1Confident27 Ų2724.6 Ų24.614%0.14112%0.123CC..EExtended strand (participates in β ladder)trans-117.5137.6-174.6-56.4-172.3000111.4N419 F420 D422 D426 R532N419-L428 WeakPolarHBondContact CA-O 3.44Å; F420-L428 HydrophobicContact CD1-CB 3.93Å; F420-L428 WeakPolarHBondContact CD1-O 3.41Å; F420-L428 HydrophobicContact CE1-CB 3.45Å; F420-L428 VanDerWaalsContact CE1-CB 3.45Å; F420-L428 HydrophobicContact CE1-CD1 4.22Å; F420-L428 HydrophobicContact CE1-CG 4.43Å; F420-L428 HydrophobicContact CE2-CB 4.46Å; F420-L428 HydrophobicContact CE2-CD1 4.29Å; F420-L428 HydrophobicContact CZ-CB 3.76Å; F420-L428 HydrophobicContact CZ-CD1 3.69Å; F420-L428 HydrophobicContact CZ-CG 4.26Å; F420-L428 PolarHBondContact N-O 2.83Å; F420-L428 PolarHBondContact O-N 3.24Å; D422-L428 HydrophobicContact CB-CD1 3.91Å; D422-L428 HydrophobicContact CB-CG 4.41Å; D422-L428 VanDerWaalsContact OD2-CD1 3.32Å; D422-L428 WeakPolarHBondContact OD2-CD1 3.38Å; D426-L428 HydrophobicContact CB-CD2 4.25Å; L428-R532 VanDerWaalsContact CD2-NH1 3.32Å
429P89Confident88.1Confident10 Ų1024.8 Ų24.87%0.06512%0.124CC..EExtended strand (participates in β ladder)trans-68.1135.8171.527.7-38.5000113.7N419 E529 R532 R576 F592N419-P429 VanDerWaalsContact OD1-CA 3.23Å; N419-P429 WeakPolarHBondContact OD1-CA 3.4Å; P429-E529 PolarHBondContact O-N 2.89Å; P429-R532 HydrophobicContact CG-CG 4.24Å; P429-R576 VanDerWaalsContact CB-CZ 3.48Å; P429-F592 HydrophobicContact CB-CE1 3.95Å; P429-F592 HydrophobicContact CB-CZ 4.07Å; P429-F592 HydrophobicContact CG-CE1 3.95Å
430L90.3Very high88.2Confident0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-85.1156.3158.8-63.5179.1000111.2L418 F420 W475 W484 D526 V527 P528 R576 F592L418-L430 WeakPolarHBondContact O-CB 3.35Å; L418-L430 PolarHBondContact O-N 2.8Å; F420-L430 HydrophobicContact CB-CD1 4.46Å; F420-L430 HydrophobicContact CB-CD2 4.35Å; F420-L430 HydrophobicContact CB-CG 4.29Å; F420-L430 HydrophobicContact CD1-CD2 3.32Å; F420-L430 HydrophobicContact CD1-CG 3.73Å; F420-L430 HydrophobicContact CE1-CD2 3.76Å; F420-L430 HydrophobicContact CG-CD2 4.03Å; F420-L430 HydrophobicContact CG-CG 4.39Å; L430-W475 HydrophobicContact CD1-CD2 3.83Å; L430-W475 HydrophobicContact CD1-CE3 4.14Å; L430-W475 HydrophobicContact CD1-CG 4.01Å; L430-W475 HydrophobicContact CD2-CD2 4.1Å; L430-W475 HydrophobicContact CD2-CE3 4.38Å; L430-W475 HydrophobicContact CD2-CH2 3.86Å; L430-W475 HydrophobicContact CD2-CZ2 3.5Å; L430-W475 HydrophobicContact CD2-CZ3 4.27Å; L430-W484 HydrophobicContact CD1-CB 3.57Å; L430-W484 HydrophobicContact CD1-CD2 4.48Å; L430-W484 HydrophobicContact CD1-CG 3.76Å; L430-D526 HydrophobicContact CB-CB 4.03Å; L430-D526 VanDerWaalsContact CB-OD2 3.29Å; L430-D526 WeakPolarHBondContact CB-OD2 3.47Å; L430-D526 HydrophobicContact CD1-CB 3.97Å; L430-D526 HydrophobicContact CD2-CB 4.26Å; L430-D526 HydrophobicContact CG-CB 4.32Å; L430-V527 WeakPolarHBondContact CA-O 3.46Å; L430-P528 HydrophobicContact CD2-CG 4.45Å; L430-R576 PolarHBondContact O-NH1 2.72Å; L430-F592 WeakPolarHBondContact O-CZ 3.11Å
431R88.7Confident88.1Confident0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-114.4130.1164.6177.5-162.3169.164.516.4108.9Y433 H468 D526 V527 E529 E562 G575 F592R431-Y433 PolarHBondContact NE-OH 2.81Å; R431-H468 VanDerWaalsContact CD-CE1 3.43Å; R431-H468 WeakPolarHBondContact CD-CE1 3.43Å; R431-D526 VanDerWaalsContact O-CA 3.24Å; R431-D526 WeakPolarHBondContact O-CA 3.35Å; R431-D526 WeakPolarHBondContact O-CB 3.18Å; R431-D526 VanDerWaalsContact O-CG 3.27Å; R431-V527 HydrophobicContact CB-CG2 3.88Å; R431-V527 HydrophobicContact CG-CG2 4.43Å; R431-V527 PolarHBondContact N-O 3.23Å; R431-V527 PolarHBondContact O-N 2.9Å; R431-E529 HydrophobicContact CB-CB 4.2Å; R431-E562 IonicContact CZ-OE1 3Å; R431-E562 VanDerWaalsContact NH2-CD 3.34Å; R431-E562 IonicContact NH2-OE1 3.14Å; R431-E562 PolarHBondContact NH2-OE1 2.87Å; R431-G575 WeakPolarHBondContact CA-O 3.48Å; R431-F592 HydrophobicContact CB-CE2 3.64Å; R431-F592 HydrophobicContact CB-CZ 4.04Å; R431-F592 HydrophobicContact CG-CE2 4.04Å
432T88.9Confident88Confident1 Ų124.5 Ų24.51%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-97.9144.8-175.8-168.70000116.7P405 L418 G434 N524 D526 W574 G575P405-T432 HydrophobicContact CG-CG2 4.48Å; L418-T432 HydrophobicContact CD1-CG2 3.87Å; T432-G434 PolarHBondContact OG1-N 2.84Å; T432-N524 PolarHBondContact OG1-OD1 3.31Å; T432-D526 WeakPolarHBondContact CA-OD1 3.29Å; T432-D526 WeakPolarHBondContact CA-OD2 3.15Å; T432-D526 WeakPolarHBondContact CB-OD1 3.42Å; T432-D526 WeakPolarHBondContact CB-OD2 3.41Å; T432-D526 PolarHBondContact N-OD2 3.42Å; T432-D526 PolarHBondContact OG1-OD1 3.47Å; T432-W574 HydrophobicContact CG2-CE3 4.22Å; T432-W574 HydrophobicContact CG2-CH2 3.9Å; T432-W574 HydrophobicContact CG2-CZ3 3.72Å; T432-G575 PolarHBondContact N-O 3.02Å
433Y87Confident88Confident12 Ų1227.2 Ų27.25%0.04713%0.133CC..EExtended strand (participates in β ladder)trans-114.3-0164.4-70.2-86.5000113.3P405 R431 V463 H468 M472 L525 V527 E562P405-Y433 VanDerWaalsContact CG-C 3.49Å; R431-Y433 PolarHBondContact NE-OH 2.81Å; Y433-V463 HydrophobicContact CE1-CG1 4.39Å; Y433-H468 HydrophobicContact CE2-CB 4.49Å; Y433-H468 AromaticContact CE2-ND1 3.88Å; Y433-H468 AromaticContact CZ-ND1 3.86Å; Y433-H468 PolarHBondContact OH-ND1 2.95Å; Y433-M472 HydrophobicContact CD2-CE 3.68Å; Y433-M472 HydrophobicContact CD2-SD 4.43Å; Y433-M472 HydrophobicContact CE2-CE 4.03Å; Y433-M472 HydrophobicContact CG-CE 4.35Å; Y433-L525 WeakPolarHBondContact CB-O 3.43Å; Y433-L525 PolarHBondContact N-O 3.04Å; Y433-V527 HydrophobicContact CE2-CG2 4.4Å; Y433-E562 WeakPolarHBondContact CE1-OE1 3.49Å
434G89.3Confident88Confident0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans147.4131.8167.300000114.6T432 N524 L525T432-G434 PolarHBondContact OG1-N 2.84Å; G434-N524 VanDerWaalsContact C-OD1 3.24Å; G434-N524 PolarHBondContact O-OD1 3.45Å; G434-N524 VanDerWaalsContact O-OD1 3.09Å; G434-L525 PolarHBondContact O-N 3.3Å
435M90.8Very high87.7Confident0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-96.9149175.7-58.9157.6-75.100110.7F402 I403 A414 P415 L418 W484 F523 N524 W574F402-M435 WeakPolarHBondContact CD2-O 3.42Å; I403-M435 HydrophobicContact CB-CB 4.23Å; I403-M435 HydrophobicContact CB-CE 3.98Å; I403-M435 HydrophobicContact CD1-CB 4.31Å; I403-M435 HydrophobicContact CD1-CE 4.28Å; I403-M435 HydrophobicContact CG1-CB 4.45Å; I403-M435 HydrophobicContact CG2-CE 3.72Å; I403-M435 PolarHBondContact N-O 3.42Å; A414-M435 HydrophobicContact CB-CE 3.83Å; A414-M435 HydrophobicContact CB-SD 4.35Å; P415-M435 HydrophobicContact CG-SD 3.99Å; L418-M435 HydrophobicContact CD2-SD 4.41Å; M435-W484 HydrophobicContact CG-CH2 4.1Å; M435-W484 HydrophobicContact CG-CZ2 4.3Å; M435-W484 HydrophobicContact SD-CH2 4.47Å; M435-W484 HydrophobicContact SD-CZ2 4.17Å; M435-F523 CarbonylContact C-O 3.47Å; M435-F523 VanDerWaalsContact CA-O 3.24Å; M435-F523 WeakPolarHBondContact CA-O 3.27Å; M435-N524 HydrophobicContact CG-CB 3.98Å; M435-N524 WeakPolarHBondContact CG-OD1 3.3Å; M435-N524 PolarHBondContact N-OD1 2.84Å; M435-W574 HydrophobicContact CE-CH2 3.53Å; M435-W574 HydrophobicContact CE-CZ2 3.75Å
436F91.1Very high87.5Confident0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-141148.6172.253-75.7000113.4L365 L377 T401 F402 V438 V456 L474 M515 L522 F523 L525L365-F436 HydrophobicContact CD1-CD1 4.24Å; L365-F436 HydrophobicContact CD1-CE1 4.21Å; L365-F436 HydrophobicContact CD1-CZ 4.49Å; L365-F436 HydrophobicContact CD2-CB 4.22Å; L365-F436 HydrophobicContact CD2-CD2 4.43Å; L365-F436 HydrophobicContact CD2-CG 4.19Å; L377-F436 HydrophobicContact CD1-CD2 4.29Å; L377-F436 HydrophobicContact CD1-CE2 4.21Å; L377-F436 HydrophobicContact CD2-CD2 4.48Å; L377-F436 HydrophobicContact CD2-CE2 3.71Å; L377-F436 HydrophobicContact CD2-CZ 4.01Å; T401-F436 VanDerWaalsContact O-CA 3.26Å; T401-F436 WeakPolarHBondContact O-CA 3.45Å; F402-F436 HydrophobicContact CD2-CB 4.18Å; F436-V438 HydrophobicContact CD2-CG2 3.88Å; F436-V438 HydrophobicContact CE2-CG2 4.3Å; F436-V456 HydrophobicContact CZ-CG1 4.44Å; F436-V456 HydrophobicContact CZ-CG2 4.26Å; F436-L474 HydrophobicContact CE1-CD1 4.49Å; F436-L474 HydrophobicContact CZ-CD1 4.25Å; F436-M515 HydrophobicContact CE2-CE 3.62Å; F436-M515 HydrophobicContact CE2-SD 4.44Å; F436-M515 HydrophobicContact CZ-CE 3.59Å; F436-L522 WeakPolarHBondContact O-CA 3.42Å; F436-F523 HydrophobicContact CD1-CB 4.29Å; F436-F523 HydrophobicContact CD2-CB 4.12Å; F436-F523 HydrophobicContact CE1-CB 3.9Å; F436-F523 HydrophobicContact CE2-CB 3.73Å; F436-F523 HydrophobicContact CE2-CD2 4.28Å; F436-F523 HydrophobicContact CE2-CG 4.28Å; F436-F523 HydrophobicContact CG-CB 4.38Å; F436-F523 HydrophobicContact CZ-CB 3.61Å; F436-F523 HydrophobicContact CZ-CG 4.45Å; F436-F523 PolarHBondContact N-O 2.87Å; F436-F523 PolarHBondContact O-N 3.27Å; F436-L525 HydrophobicContact CE1-CD1 4.42Å; F436-L525 HydrophobicContact CE1-CD2 4.12Å; F436-L525 HydrophobicContact CE1-CG 4.1Å
437S90Very high87.4Confident12 Ų1233.1 Ų33.18%0.08417%0.169CC..EExtended strand (participates in β ladder)trans-111142.9168.2-175.90000109.3V400 T401V400-S437 WeakPolarHBondContact CA-O 3.44Å; T401-S437 PolarHBondContact N-O 2.82Å; T401-S437 PolarHBondContact O-N 2.95Å
438V88.6Confident87.3Confident6 Ų632.2 Ų32.24%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-124.8130177.8-173.40000109.4L377 V400 F436 F440 I517L377-V438 HydrophobicContact CD1-CG2 4.26Å; V400-V438 HydrophobicContact CG2-CG1 4.19Å; V400-V438 HydrophobicContact CG2-CG2 4.29Å; F436-V438 HydrophobicContact CD2-CG2 3.88Å; F436-V438 HydrophobicContact CE2-CG2 4.3Å; V438-F440 HydrophobicContact CG1-CD1 4.13Å; V438-F440 HydrophobicContact CG1-CD2 3.72Å; V438-F440 HydrophobicContact CG1-CE1 3.76Å; V438-F440 HydrophobicContact CG1-CE2 3.34Å; V438-F440 HydrophobicContact CG1-CG 4.11Å; V438-F440 HydrophobicContact CG1-CZ 3.35Å; V438-I517 HydrophobicContact CB-CD1 4.36Å; V438-I517 HydrophobicContact CG1-CD1 4.09Å; V438-I517 HydrophobicContact CG2-CD1 4.48Å
439D88.1Confident87.2Confident8 Ų831.1 Ų31.14%0.04316%0.162CC..EExtended strand (participates in β ladder)trans-134.9100.4176.3-165.424.9000108.3K349 S399 R441 R520K349-D439 IonicContact NZ-OD2 2.95Å; K349-D439 PolarHBondContact NZ-OD2 3.2Å; S399-D439 PolarHBondContact N-O 3.07Å; S399-D439 PolarHBondContact O-N 2.98Å; D439-R441 IonicContact OD1-CZ 3.89Å; D439-R441 IonicContact OD1-NE 3.87Å; D439-R441 PolarHBondContact OD1-NE 3.06Å; D439-R441 IonicContact OD1-NH2 2.7Å; D439-R441 PolarHBondContact OD1-NH2 2.62Å; D439-R441 VanDerWaalsContact OD1-NH2 3.15Å; D439-R441 IonicContact OD2-CZ 3.84Å; D439-R441 IonicContact OD2-NE 3.63Å; D439-R441 PolarHBondContact OD2-NE 3.05Å; D439-R441 IonicContact OD2-NH2 2.67Å; D439-R441 PolarHBondContact OD2-NH2 2.78Å; D439-R520 IonicContact OD1-CZ 2.72Å; D439-R520 IonicContact OD1-NE 2.75Å; D439-R520 PolarHBondContact OD1-NE 2.66Å; D439-R520 IonicContact OD1-NH2 3.88Å
440F88.4Confident86.6Confident4 Ų431.2 Ų31.22%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-98.8135.7178.3-63-55.2000111.1I363 I379 F384 V396 A398 V438 L449 T451 I517I363-F440 HydrophobicContact CD1-CE1 4.34Å; I379-F440 HydrophobicContact CD1-CE1 3.82Å; I379-F440 HydrophobicContact CD1-CZ 3.5Å; I379-F440 VanDerWaalsContact CD1-CZ 3.5Å; I379-F440 HydrophobicContact CG1-CZ 4.49Å; F384-F440 HydrophobicContact CD1-CD2 4.42Å; F384-F440 HydrophobicContact CD1-CG 4.45Å; F384-F440 HydrophobicContact CE1-CB 4.19Å; F384-F440 AromaticContact CE1-CD1 3.86Å; F384-F440 HydrophobicContact CE1-CD1 3.86Å; F384-F440 AromaticContact CE1-CD2 3.76Å; F384-F440 HydrophobicContact CE1-CD2 3.76Å; F384-F440 HydrophobicContact CE1-CE1 4.08Å; F384-F440 AromaticContact CE1-CE2 3.94Å; F384-F440 HydrophobicContact CE1-CE2 3.94Å; F384-F440 AromaticContact CE1-CG 3.7Å; F384-F440 HydrophobicContact CE1-CG 3.7Å; F384-F440 HydrophobicContact CE1-CZ 4.12Å; F384-F440 HydrophobicContact CZ-CD1 4.39Å; F384-F440 HydrophobicContact CZ-CE1 4.32Å; F384-F440 HydrophobicContact CZ-CZ 4.47Å; V396-F440 HydrophobicContact CG1-CB 4.05Å; V396-F440 HydrophobicContact CG1-CD1 4.09Å; V396-F440 HydrophobicContact CG1-CG 4.43Å; A398-F440 HydrophobicContact CB-CD1 3.61Å; A398-F440 HydrophobicContact CB-CE1 3.69Å; V438-F440 HydrophobicContact CG1-CD1 4.13Å; V438-F440 HydrophobicContact CG1-CD2 3.72Å; V438-F440 HydrophobicContact CG1-CE1 3.76Å; V438-F440 HydrophobicContact CG1-CE2 3.34Å; V438-F440 HydrophobicContact CG1-CG 4.11Å; V438-F440 HydrophobicContact CG1-CZ 3.35Å; F440-L449 HydrophobicContact CB-CB 4.29Å; F440-L449 PolarHBondContact O-N 3.26Å; F440-T451 WeakPolarHBondContact CD2-OG1 3.17Å; F440-T451 HydrophobicContact CE2-CG2 4.43Å; F440-T451 VanDerWaalsContact CE2-OG1 3.31Å; F440-T451 WeakPolarHBondContact CE2-OG1 3.4Å; F440-I517 HydrophobicContact CD2-CD1 4.46Å; F440-I517 HydrophobicContact CE2-CD1 3.67Å; F440-I517 HydrophobicContact CZ-CD1 4.49Å
441R88.3Confident85.8Confident37 Ų3731.2 Ų31.214%0.1416%0.164CC..EExtended strand (participates in β ladder)trans-143.4150.2-174.8-63.9174.7-177-93.60.4113.6Q322 V396 K397 D439 K446 E447Q322-R441 VanDerWaalsContact OE1-CZ 3.23Å; V396-R441 CarbonylContact C-O 3.52Å; V396-R441 WeakPolarHBondContact CA-O 3.3Å; K397-R441 PolarHBondContact N-O 3.04Å; K397-R441 PolarHBondContact O-N 2.85Å; D439-R441 IonicContact OD1-CZ 3.89Å; D439-R441 IonicContact OD1-NE 3.87Å; D439-R441 PolarHBondContact OD1-NE 3.06Å; D439-R441 IonicContact OD1-NH2 2.7Å; D439-R441 PolarHBondContact OD1-NH2 2.62Å; D439-R441 VanDerWaalsContact OD1-NH2 3.15Å; D439-R441 IonicContact OD2-CZ 3.84Å; D439-R441 IonicContact OD2-NE 3.63Å; D439-R441 PolarHBondContact OD2-NE 3.05Å; D439-R441 IonicContact OD2-NH2 2.67Å; D439-R441 PolarHBondContact OD2-NH2 2.78Å; R441-K446 PolarHBondContact NH1-O 3.16Å; R441-E447 VanDerWaalsContact CA-O 3.24Å; R441-E447 WeakPolarHBondContact CA-O 3.45Å
442D88.8Confident84.9Confident8 Ų832 Ų324%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-64.7129164177.9-11.1000110Y392 T444 S445 K446 E447Y392-D442 HydrophobicContact CE2-CB 4.02Å; Y392-D442 PolarHBondContact OH-OD1 2.77Å; D442-T444 PolarHBondContact O-N 2.78Å; D442-T444 PolarHBondContact OD1-N 3.37Å; D442-T444 PolarHBondContact OD1-OG1 2.78Å; D442-T444 PolarHBondContact OD2-OG1 2.87Å; D442-S445 VanDerWaalsContact CB-OG 3.26Å; D442-S445 WeakPolarHBondContact CB-OG 3.35Å; D442-S445 PolarHBondContact OD1-N 2.68Å; D442-S445 WeakPolarHBondContact OD2-CB 3.4Å; D442-S445 PolarHBondContact OD2-OG 2.94Å; D442-K446 VanDerWaalsContact O-CA 3.26Å; D442-K446 WeakPolarHBondContact O-CA 3.14Å; D442-K446 PolarHBondContact O-N 2.73Å; D442-K446 VanDerWaalsContact O-N 3.09Å; D442-E447 PolarHBondContact N-O 2.92Å; D442-E447 VanDerWaalsContact N-O 3.11Å
443E87.2Confident84.1Confident82 Ų8235 Ų3538%0.38320%0.198SC..THydrogen-bonded Turntrans-55.6-34.8175.7170.1163.3-131.400113.3T395 K397T395-E443 WeakPolarHBondContact CB-OE2 3.1Å; T395-E443 PolarHBondContact O-N 2.84Å; T395-E443 PolarHBondContact OG1-OE2 3.27Å; K397-E443 HydrophobicContact CD-CB 4.44Å; K397-E443 WeakPolarHBondContact CE-OE1 3.39Å; K397-E443 HydrophobicContact CG-CB 4.18Å; K397-E443 VanDerWaalsContact NZ-CD 3.31Å; K397-E443 IonicContact NZ-OE1 3.33Å; K397-E443 PolarHBondContact NZ-OE1 2.63Å; K397-E443 IonicContact NZ-OE2 3.66Å
444T84.6Confident84Confident116 Ų11634.5 Ų34.571%0.71220%0.195SC*.THydrogen-bonded Turntrans-93.8-54.4-168.8650000112.9D442D442-T444 PolarHBondContact O-N 2.78Å; D442-T444 PolarHBondContact OD1-N 3.37Å; D442-T444 PolarHBondContact OD1-OG1 2.78Å; D442-T444 PolarHBondContact OD2-OG1 2.87Å
445S80.8Confident83.9Confident52 Ų5237.9 Ų37.936%0.36421%0.211SC..THydrogen-bonded Turntrans-83.8-22.9-178.467.90000113.3D442 E447D442-S445 VanDerWaalsContact CB-OG 3.26Å; D442-S445 WeakPolarHBondContact CB-OG 3.35Å; D442-S445 PolarHBondContact OD1-N 2.68Å; D442-S445 WeakPolarHBondContact OD2-CB 3.4Å; D442-S445 PolarHBondContact OD2-OG 2.94Å; S445-E447 PolarHBondContact O-N 2.92Å; S445-E447 VanDerWaalsContact OG-CB 3.29Å; S445-E447 WeakPolarHBondContact OG-CB 3.13Å; S445-E447 VanDerWaalsContact OG-CG 3.28Å; S445-E447 WeakPolarHBondContact OG-CG 3.47Å; S445-E447 PolarHBondContact OG-N 2.96Å
446K81.6Confident83.9Confident151 Ų15137.9 Ų37.966%0.65721%0.211SC*.  trans60.813-168.3-53-178.7-179.4-179.30114.5R441 D442R441-K446 PolarHBondContact NH1-O 3.16Å; D442-K446 VanDerWaalsContact O-CA 3.26Å; D442-K446 WeakPolarHBondContact O-CA 3.14Å; D442-K446 PolarHBondContact O-N 2.73Å; D442-K446 VanDerWaalsContact O-N 3.09Å
447E83.5Confident83.8Confident99 Ų9938.7 Ų38.746%0.46322%0.216SC..  trans-54149.7165.7-71.2170.7179.100110K386 R441 D442 S445K386-E447 IonicContact NZ-OE2 3.98Å; K386-E447 PolarHBondContact NZ-OE2 3.33Å; R441-E447 VanDerWaalsContact CA-O 3.24Å; R441-E447 WeakPolarHBondContact CA-O 3.45Å; D442-E447 PolarHBondContact N-O 2.92Å; D442-E447 VanDerWaalsContact N-O 3.11Å; S445-E447 PolarHBondContact O-N 2.92Å; S445-E447 VanDerWaalsContact OG-CB 3.29Å; S445-E447 WeakPolarHBondContact OG-CB 3.13Å; S445-E447 VanDerWaalsContact OG-CG 3.28Å; S445-E447 WeakPolarHBondContact OG-CG 3.47Å; S445-E447 PolarHBondContact OG-N 2.96Å
448V82.3Confident83.7Confident52 Ų5238.2 Ų38.232%0.31521%0.212SC..BIsolated β-bridgetrans-79144175.5-168.90000108.1
449L83.3Confident83.5Confident4 Ų438.1 Ų38.12%0.02121%0.211CC..  trans-113.4127.3175.6-61.2172.8000109.4F384 H385 K386 Y392 V396 F440F384-L449 HydrophobicContact CD1-CB 4.49Å; H385-L449 CarbonylContact O-C 3.52Å; H385-L449 WeakPolarHBondContact O-CA 3.32Å; K386-L449 HydrophobicContact CG-CD2 4.08Å; Y392-L449 HydrophobicContact CD1-CD1 3.45Å; Y392-L449 VanDerWaalsContact CD1-CD1 3.45Å; Y392-L449 HydrophobicContact CD1-CD2 4.2Å; Y392-L449 HydrophobicContact CD1-CG 4.49Å; Y392-L449 HydrophobicContact CD2-CD2 3.99Å; Y392-L449 HydrophobicContact CE1-CD1 3.59Å; Y392-L449 HydrophobicContact CG-CD1 3.95Å; Y392-L449 HydrophobicContact CG-CD2 3.81Å; V396-L449 HydrophobicContact CB-CD1 4.49Å; V396-L449 HydrophobicContact CG1-CD1 4.26Å; V396-L449 HydrophobicContact CG2-CD1 3.71Å; F440-L449 HydrophobicContact CB-CB 4.29Å; F440-L449 PolarHBondContact O-N 3.26Å
450G76.4Confident83.3Confident12 Ų1238.3 Ų38.312%0.12421%0.213CC..EExtended strand (participates in β ladder)trans-70.5161.2166.200000110.4F384 H385F384-G450 WeakPolarHBondContact CA-O 3.5Å; H385-G450 PolarHBondContact N-O 3.05Å; H385-G450 PolarHBondContact O-N 2.85Å
451T75Confident82.9Confident0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-138.9136.4175.5-46.90000110.7I379 S383 F384 H385 F440 V454 I517I379-T451 HydrophobicContact CG2-CG2 4.22Å; S383-T451 WeakPolarHBondContact O-CA 3.18Å; F384-T451 HydrophobicContact CD1-CG2 4.17Å; F384-T451 WeakPolarHBondContact CD1-OG1 3.32Å; F384-T451 HydrophobicContact CE1-CG2 4.19Å; H385-T451 PolarHBondContact CE1-N 3.02Å; H385-T451 VanDerWaalsContact CE1-N 3.31Å; F440-T451 WeakPolarHBondContact CD2-OG1 3.17Å; F440-T451 HydrophobicContact CE2-CG2 4.43Å; F440-T451 VanDerWaalsContact CE2-OG1 3.31Å; F440-T451 WeakPolarHBondContact CE2-OG1 3.4Å; T451-V454 HydrophobicContact CG2-CG2 3.46Å; T451-V454 VanDerWaalsContact CG2-CG2 3.46Å; T451-I517 PolarHBondContact N-O 3.07Å; T451-I517 PolarHBondContact O-N 3.23Å
452G69.7Low82.5Confident17 Ų1742.5 Ų42.518%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-69.1-143.5173.900000112.6S383 V454S383-G452 PolarHBondContact O-N 2.71Å; G452-V454 PolarHBondContact O-N 2.88Å
453A72.3Confident82Confident64 Ų6442.2 Ų42.253%0.52923%0.232SC..EExtended strand (participates in β ladder)trans-65.399.5-175.600000112.6P380 M515P380-A453 WeakPolarHBondContact CD-O 3.29Å; P380-A453 WeakPolarHBondContact CG-O 3.39Å; A453-M515 WeakPolarHBondContact CA-O 3.22Å
454V84.1Confident81.4Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-94.9136.4168.9177.30000108.3L377 V378 I379 T451 G452 M515 I517L377-V454 HydrophobicContact CB-CG1 4.42Å; V378-V454 WeakPolarHBondContact O-CG1 3.35Å; I379-V454 HydrophobicContact CG1-CG1 4.07Å; I379-V454 HydrophobicContact CG1-CG2 4.24Å; I379-V454 HydrophobicContact CG2-CG2 4.45Å; T451-V454 HydrophobicContact CG2-CG2 3.46Å; T451-V454 VanDerWaalsContact CG2-CG2 3.46Å; G452-V454 PolarHBondContact O-N 2.88Å; V454-M515 HydrophobicContact CB-CG 3.77Å; V454-M515 HydrophobicContact CB-SD 4.32Å; V454-M515 HydrophobicContact CG1-CG 4.29Å; V454-M515 HydrophobicContact CG1-SD 4.42Å; V454-M515 PolarHBondContact N-O 3.49Å; V454-M515 WeakPolarHBondContact O-CG 3.29Å; V454-M515 PolarHBondContact O-N 2.85Å; V454-I517 HydrophobicContact CG2-CD1 4.18Å
455Q87.6Confident81.1Confident71 Ų7139 Ų3933%0.33221%0.208SC..EExtended strand (participates in β ladder)trans-97.7141.5177.4-49.7-164.7-61.800110.6L377 V378 I512 G513 N514L377-Q455 WeakPolarHBondContact CA-O 3.23Å; V378-Q455 HydrophobicContact CB-CB 4.29Å; V378-Q455 PolarHBondContact N-O 2.84Å; V378-Q455 PolarHBondContact O-N 3.45Å; Q455-I512 HydrophobicContact CB-CG2 4.36Å; Q455-G513 WeakPolarHBondContact CA-O 3.48Å; Q455-N514 PolarHBondContact NE2-OD1 3.28Å
456V90Very high81Confident0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-111.1118.6174.3-168.20000108.3L365 L377 F436 L474 F490 I512 G513 M515 L525L365-V456 HydrophobicContact CD1-CG1 4.32Å; L377-V456 HydrophobicContact CD2-CB 4.39Å; L377-V456 HydrophobicContact CD2-CG1 4.16Å; L377-V456 HydrophobicContact CD2-CG2 3.85Å; F436-V456 HydrophobicContact CZ-CG1 4.44Å; F436-V456 HydrophobicContact CZ-CG2 4.26Å; V456-L474 HydrophobicContact CG2-CD1 4.41Å; V456-F490 HydrophobicContact CB-CE1 4.27Å; V456-F490 HydrophobicContact CB-CZ 4.36Å; V456-F490 HydrophobicContact CG1-CE1 4.47Å; V456-F490 HydrophobicContact CG1-CZ 4.38Å; V456-I512 WeakPolarHBondContact O-CA 3.27Å; V456-G513 PolarHBondContact N-O 2.91Å; V456-G513 PolarHBondContact O-N 2.63Å; V456-M515 HydrophobicContact CG2-CE 3.88Å; V456-M515 HydrophobicContact CG2-CG 4.4Å; V456-L525 HydrophobicContact CG1-CD2 4.05Å
457L88.9Confident81Confident18 Ų1840.7 Ų40.79%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-97.5119.8171.9-55.3-178.5000108.6G375 Q376 V378 F510 L511 I512G375-L457 CarbonylContact C-O 3.57Å; G375-L457 WeakPolarHBondContact CA-O 3.09Å; Q376-L457 HydrophobicContact CB-CB 4.44Å; Q376-L457 PolarHBondContact N-O 2.91Å; Q376-L457 PolarHBondContact O-N 3.17Å; V378-L457 HydrophobicContact CG2-CD1 3.63Å; V378-L457 HydrophobicContact CG2-CG 3.88Å; L457-F510 HydrophobicContact CB-CB 4.41Å; L457-F510 HydrophobicContact CB-CD1 3.89Å; L457-F510 HydrophobicContact CB-CG 4.34Å; L457-L511 WeakPolarHBondContact CA-O 3.33Å; L457-I512 HydrophobicContact CD2-CB 4.26Å; L457-I512 HydrophobicContact CD2-CD1 3.8Å; L457-I512 HydrophobicContact CD2-CG1 3.61Å; L457-I512 HydrophobicContact CD2-CG2 4.07Å
458L87.8Confident81.1Confident1 Ų136.3 Ų36.31%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-111.1122.4174.9165.860.4000109.5I374 T460 V463 M472 F490 F510 L511 L525I374-L458 HydrophobicContact CG2-CD1 3.57Å; I374-L458 WeakPolarHBondContact O-CD1 3.48Å; L458-T460 PolarHBondContact O-N 3.46Å; L458-V463 HydrophobicContact CD2-CG2 4.4Å; L458-V463 HydrophobicContact CG-CG2 4.49Å; L458-M472 HydrophobicContact CD2-CE 4.03Å; L458-M472 HydrophobicContact CD2-CG 3.78Å; L458-M472 HydrophobicContact CD2-SD 3.96Å; L458-F490 HydrophobicContact CB-CE1 4.35Å; L458-F510 WeakPolarHBondContact O-CA 3.27Å; L458-L511 HydrophobicContact CB-CB 4.3Å; L458-L511 HydrophobicContact CD2-CD1 4.28Å; L458-L511 PolarHBondContact N-O 2.82Å; L458-L511 PolarHBondContact O-N 3Å; L458-L525 HydrophobicContact CD1-CD1 4.37Å
459D85.7Confident81.1Confident4 Ų435 Ų352%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-75.1114.1-179.5-169.2-30.6000110.3I374 Q461 H462 R508 F510I374-D459 PolarHBondContact O-N 3.28Å; D459-Q461 PolarHBondContact O-N 2.84Å; D459-Q461 VanDerWaalsContact O-N 3.11Å; D459-Q461 VanDerWaalsContact OD1-CB 3.29Å; D459-Q461 WeakPolarHBondContact OD1-CB 3Å; D459-Q461 WeakPolarHBondContact OD1-CG 3.49Å; D459-Q461 PolarHBondContact OD1-N 3.45Å; D459-H462 PolarHBondContact O-N 3.1Å; D459-H462 VanDerWaalsContact O-N 3.07Å; D459-R508 WeakPolarHBondContact OD2-CD 3.46Å; D459-R508 IonicContact OD2-NH1 2.78Å; D459-R508 PolarHBondContact OD2-NH1 2.86Å; D459-F510 HydrophobicContact CB-CD1 4.19Å; D459-F510 HydrophobicContact CB-CE1 3.85Å
460T82.2Confident81.3Confident13 Ų1340.2 Ų40.28%0.0822%0.217CC..G310 helixtrans-61.2-19.7-17952.60000113.7L458 H462 V463 I469 T509 L511L458-T460 PolarHBondContact O-N 3.46Å; T460-H462 PolarHBondContact O-N 3.31Å; T460-V463 PolarHBondContact O-N 2.91Å; T460-V463 VanDerWaalsContact O-N 3.15Å; T460-I469 HydrophobicContact CG2-CG2 4.25Å; T460-T509 WeakPolarHBondContact CB-O 3.44Å; T460-T509 WeakPolarHBondContact CG2-O 3.45Å; T460-T509 PolarHBondContact N-O 2.98Å; T460-T509 WeakPolarHBondContact OG1-CB 3.27Å; T460-T509 PolarHBondContact OG1-O 2.65Å; T460-T509 PolarHBondContact OG1-OG1 3.31Å; T460-L511 HydrophobicContact CG2-CD1 4.35Å; T460-L511 HydrophobicContact CG2-CG 3.86Å
461Q80.4Confident81.8Confident96 Ų9642.7 Ų42.745%0.44923%0.23SC..G310 helixtrans-64.6-23.7175.3-61.9-169.620.400112.7D459 K464D459-Q461 PolarHBondContact O-N 2.84Å; D459-Q461 VanDerWaalsContact O-N 3.11Å; D459-Q461 VanDerWaalsContact OD1-CB 3.29Å; D459-Q461 WeakPolarHBondContact OD1-CB 3Å; D459-Q461 WeakPolarHBondContact OD1-CG 3.49Å; D459-Q461 PolarHBondContact OD1-N 3.45Å; Q461-K464 PolarHBondContact O-NZ 3.15Å
462H79.9Confident82.5Confident33 Ų3342.9 Ų42.915%0.15323%0.231CC..G310 helixtrans-82.6-22.2176.7-69.2-104.8000112.4I374 D459 T460 K464I374-H462 HydrophobicContact CG1-CB 4.29Å; D459-H462 PolarHBondContact O-N 3.1Å; D459-H462 VanDerWaalsContact O-N 3.07Å; T460-H462 PolarHBondContact O-N 3.31Å; H462-K464 PolarHBondContact O-N 2.88Å; H462-K464 VanDerWaalsContact O-N 3.08Å
463V79.7Confident83.6Confident1 Ų144 Ų441%0.00623%0.231CC..  trans-80.787.9178.6-173.20000110.4Y433 L458 T460 M465 H468 I469 M472Y433-V463 HydrophobicContact CE1-CG1 4.39Å; L458-V463 HydrophobicContact CD2-CG2 4.4Å; L458-V463 HydrophobicContact CG-CG2 4.49Å; T460-V463 PolarHBondContact O-N 2.91Å; T460-V463 VanDerWaalsContact O-N 3.15Å; V463-M465 PolarHBondContact O-N 2.03Å; V463-H468 HydrophobicContact CG1-CB 3.95Å; V463-I469 HydrophobicContact CB-CG1 4.2Å; V463-I469 HydrophobicContact CG1-CG1 3.87Å; V463-M472 HydrophobicContact CG1-CE 4.23Å; V463-M472 HydrophobicContact CG2-CE 4.09Å
464K74.7Confident84.4Confident116 Ų11641 Ų4150%0.50421%0.206SC..  trans-67.8-16.3-172.9-55.3-50.6178.7-170.10115.4Q461 H462Q461-K464 PolarHBondContact O-NZ 3.15Å; H462-K464 PolarHBondContact O-N 2.88Å; H462-K464 VanDerWaalsContact O-N 3.08Å
465M77.3Confident84.8Confident14 Ų1441.2 Ų41.27%0.06921%0.207CC..  trans-106.1107.4176-78.7179.2-85.400109.9V463 E467 H468V463-M465 PolarHBondContact O-N 2.03Å; M465-E467 HydrophobicContact CB-CG 4.4Å; M465-E467 PolarHBondContact O-N 2.62Å; M465-H468 HydrophobicContact CB-CB 4.48Å; M465-H468 VanDerWaalsContact O-CB 3.32Å; M465-H468 WeakPolarHBondContact O-CB 3.42Å; M465-H468 PolarHBondContact O-N 3.12Å; M465-H468 VanDerWaalsContact SD-CE1 3.53Å
466Q78.3Confident84.8Confident142 Ų14237.9 Ų37.966%0.66419%0.191SC*.G310 helixtrans-59.1-31.4-175.4-68.3-70.3-57.400113.2H468 I469 P470Q466-H468 PolarHBondContact O-N 3.11Å; Q466-I469 PolarHBondContact O-N 3.47Å; Q466-P470 WeakPolarHBondContact O-CD 3.11Å
467E81.5Confident84.7Confident98 Ų9838 Ų3846%0.45819%0.191SC..G310 helixtrans-65.8-13.3175.669.3-152.115300114.3M465 T471 R531M465-E467 HydrophobicContact CB-CG 4.4Å; M465-E467 PolarHBondContact O-N 2.62Å; E467-T471 PolarHBondContact O-OG1 3.27Å; E467-R531 VanDerWaalsContact CD-NH1 3.34Å; E467-R531 IonicContact OE1-CZ 3.34Å; E467-R531 VanDerWaalsContact OE1-CZ 3.25Å; E467-R531 IonicContact OE1-NH1 2.72Å; E467-R531 PolarHBondContact OE1-NH1 3.31Å; E467-R531 IonicContact OE1-NH2 3.48Å; E467-R531 PolarHBondContact OE1-NH2 2.78Å; E467-R531 IonicContact OE2-NH1 3.16Å; E467-R531 PolarHBondContact OE2-NH1 2.75Å
468H85.4Confident84.5Confident6 Ų637.9 Ų37.93%0.02819%0.191CC..G310 helixtrans-90.1-18.5176.6-64.1173.5000113.4R431 Y433 V463 M465 Q466 T471 M472 V527 E529 R531R431-H468 VanDerWaalsContact CD-CE1 3.43Å; R431-H468 WeakPolarHBondContact CD-CE1 3.43Å; Y433-H468 HydrophobicContact CE2-CB 4.49Å; Y433-H468 AromaticContact CE2-ND1 3.88Å; Y433-H468 AromaticContact CZ-ND1 3.86Å; Y433-H468 PolarHBondContact OH-ND1 2.95Å; V463-H468 HydrophobicContact CG1-CB 3.95Å; M465-H468 HydrophobicContact CB-CB 4.48Å; M465-H468 VanDerWaalsContact O-CB 3.32Å; M465-H468 WeakPolarHBondContact O-CB 3.42Å; M465-H468 PolarHBondContact O-N 3.12Å; M465-H468 VanDerWaalsContact SD-CE1 3.53Å; Q466-H468 PolarHBondContact O-N 3.11Å; H468-T471 WeakPolarHBondContact CA-OG1 3.33Å; H468-T471 PolarHBondContact O-N 2.92Å; H468-T471 PolarHBondContact O-OG1 2.88Å; H468-M472 PolarHBondContact O-N 3.35Å; H468-M472 VanDerWaalsContact O-N 3.12Å; H468-V527 HydrophobicContact CB-CG1 3.82Å; H468-V527 HydrophobicContact CB-CG2 4.21Å; H468-V527 WeakPolarHBondContact O-CG1 3.06Å; H468-E529 IonicContact CE1-OE2 3.3Å; H468-E529 IonicContact NE2-OE2 3.5Å; H468-E529 PolarHBondContact NE2-OE2 2.89Å; H468-R531 PolarHBondContact NE2-NH2 3.02Å; H468-R531 VanDerWaalsContact NE2-NH2 3.15Å
469I84.1Confident84.3Confident25 Ų2539.9 Ų39.913%0.12820%0.204CC..G310 helixtrans-61.5-46.6179.8-60.7176.6000112.2T460 V463 Q466 T471 L511T460-I469 HydrophobicContact CG2-CG2 4.25Å; V463-I469 HydrophobicContact CB-CG1 4.2Å; V463-I469 HydrophobicContact CG1-CG1 3.87Å; Q466-I469 PolarHBondContact O-N 3.47Å; I469-T471 VanDerWaalsContact C-N 3.33Å; I469-T471 PolarHBondContact O-N 3.06Å; I469-L511 HydrophobicContact CG2-CD1 4.22Å; I469-L511 HydrophobicContact CG2-CD2 4.09Å; I469-L511 HydrophobicContact CG2-CG 4.48Å
470P86.6Confident84Confident113 Ų11342.6 Ų42.673%0.73422%0.219SC*.G310 helixtrans-82.2-5.2-18034.1-37.3000114.5Q466Q466-P470 WeakPolarHBondContact O-CD 3.11Å
471T87.8Confident84Confident64 Ų6442.7 Ų42.739%0.39322%0.219SC..G310 helixtrans-111.72.1-18051.50000113.1E467 H468 I469 K473E467-T471 PolarHBondContact O-OG1 3.27Å; H468-T471 WeakPolarHBondContact CA-OG1 3.33Å; H468-T471 PolarHBondContact O-N 2.92Å; H468-T471 PolarHBondContact O-OG1 2.88Å; I469-T471 VanDerWaalsContact C-N 3.33Å; I469-T471 PolarHBondContact O-N 3.06Å; T471-K473 PolarHBondContact O-N 3.01Å
472M89.2Confident84.3Confident5 Ų538.1 Ų38.13%0.02520%0.198CC..  trans-64127.6178.4-166.264.464.100111.3Y433 L458 V463 H468 F490 L511 V527Y433-M472 HydrophobicContact CD2-CE 3.68Å; Y433-M472 HydrophobicContact CD2-SD 4.43Å; Y433-M472 HydrophobicContact CE2-CE 4.03Å; Y433-M472 HydrophobicContact CG-CE 4.35Å; L458-M472 HydrophobicContact CD2-CE 4.03Å; L458-M472 HydrophobicContact CD2-CG 3.78Å; L458-M472 HydrophobicContact CD2-SD 3.96Å; V463-M472 HydrophobicContact CG1-CE 4.23Å; V463-M472 HydrophobicContact CG2-CE 4.09Å; H468-M472 PolarHBondContact O-N 3.35Å; H468-M472 VanDerWaalsContact O-N 3.12Å; M472-F490 HydrophobicContact CB-CB 4.45Å; M472-F490 HydrophobicContact CB-CD2 4.21Å; M472-F490 HydrophobicContact CG-CD2 3.67Å; M472-F490 HydrophobicContact CG-CE2 4.05Å; M472-F490 HydrophobicContact CG-CG 4.22Å; M472-F490 PolarHBondContact O-N 2.91Å; M472-L511 HydrophobicContact CB-CD1 3.86Å; M472-L511 HydrophobicContact CG-CD1 4.03Å; M472-V527 HydrophobicContact CB-CG1 4.39Å; M472-V527 HydrophobicContact CE-CG1 3.87Å; M472-V527 HydrophobicContact SD-CG1 4Å
473K91.3Very high84.6Confident41 Ų4137 Ų3718%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-129.6152.4176.5-78.9167174.1-72.90109.8T471 W475 E486 D489 D526T471-K473 PolarHBondContact O-N 3.01Å; K473-W475 HydrophobicContact CB-CZ2 3.81Å; K473-W475 HydrophobicContact CD-CH2 4.33Å; K473-W475 HydrophobicContact CD-CZ2 3.83Å; K473-W475 HydrophobicContact CG-CZ2 4.48Å; K473-W475 PolarHBondContact O-NE1 2.88Å; K473-E486 HydrophobicContact CD-CG 4.19Å; K473-E486 WeakPolarHBondContact CD-OE2 3.49Å; K473-E486 VanDerWaalsContact CE-OE2 3.25Å; K473-E486 WeakPolarHBondContact CE-OE2 3.32Å; K473-E486 IonicContact NZ-OE1 3.6Å; K473-E486 PolarHBondContact NZ-OE1 3.46Å; K473-E486 IonicContact NZ-OE2 2.73Å; K473-E486 PolarHBondContact NZ-OE2 2.66Å; K473-D489 WeakPolarHBondContact CE-OD1 3.49Å; K473-D489 IonicContact NZ-OD1 3.49Å; K473-D489 PolarHBondContact NZ-OD1 2.77Å; K473-D489 IonicContact NZ-OD2 2.66Å; K473-D526 PolarHBondContact N-O 3.41Å; K473-D526 VanDerWaalsContact N-O 3.1Å; K473-D526 PolarHBondContact O-N 3.18Å
474L90.6Very high85.1Confident0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-89.4135.3168.1-178.774.1000108.5F436 V456 E487 S488 F490 M515 F523 L525F436-L474 HydrophobicContact CE1-CD1 4.49Å; F436-L474 HydrophobicContact CZ-CD1 4.25Å; V456-L474 HydrophobicContact CG2-CD1 4.41Å; L474-E487 HydrophobicContact CB-CB 4.4Å; L474-E487 HydrophobicContact CD2-CB 3.93Å; L474-E487 HydrophobicContact CG-CB 4.07Å; L474-E487 PolarHBondContact O-N 3.21Å; L474-S488 WeakPolarHBondContact CB-OG 3.32Å; L474-S488 PolarHBondContact N-O 2.98Å; L474-S488 PolarHBondContact O-N 3.26Å; L474-F490 HydrophobicContact CB-CE2 3.82Å; L474-F490 HydrophobicContact CB-CZ 4.28Å; L474-M515 HydrophobicContact CD1-CE 4.1Å; L474-M515 HydrophobicContact CD2-CB 3.65Å; L474-M515 HydrophobicContact CD2-CE 3.79Å; L474-F523 HydrophobicContact CD1-CB 4.45Å; L474-L525 HydrophobicContact CD1-CD2 3.91Å
475W91Very high85.7Confident5 Ų533.5 Ų33.52%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-126.4154.6-178.7-51.778.3000111F420 L430 K473 W484 E485 E486 F523 N524 D526 P528F420-W475 HydrophobicContact CB-CE3 4.19Å; F420-W475 HydrophobicContact CB-CH2 4.3Å; F420-W475 HydrophobicContact CB-CZ3 3.66Å; F420-W475 HydrophobicContact CD1-CH2 4.27Å; F420-W475 HydrophobicContact CD1-CZ3 4.46Å; F420-W475 AromaticContact CD2-CH2 3.73Å; F420-W475 HydrophobicContact CD2-CH2 3.73Å; F420-W475 AromaticContact CD2-CZ3 3.71Å; F420-W475 HydrophobicContact CD2-CZ3 3.71Å; F420-W475 HydrophobicContact CE2-CH2 4.03Å; F420-W475 HydrophobicContact CE2-CZ3 4.45Å; F420-W475 AromaticContact CG-CH2 3.86Å; F420-W475 HydrophobicContact CG-CH2 3.86Å; F420-W475 AromaticContact CG-CZ3 3.71Å; F420-W475 HydrophobicContact CG-CZ3 3.71Å; F420-W475 HydrophobicContact CZ-CH2 4.4Å; L430-W475 HydrophobicContact CD1-CD2 3.83Å; L430-W475 HydrophobicContact CD1-CE3 4.14Å; L430-W475 HydrophobicContact CD1-CG 4.01Å; L430-W475 HydrophobicContact CD2-CD2 4.1Å; L430-W475 HydrophobicContact CD2-CE3 4.38Å; L430-W475 HydrophobicContact CD2-CH2 3.86Å; L430-W475 HydrophobicContact CD2-CZ2 3.5Å; L430-W475 HydrophobicContact CD2-CZ3 4.27Å; K473-W475 HydrophobicContact CB-CZ2 3.81Å; K473-W475 HydrophobicContact CD-CH2 4.33Å; K473-W475 HydrophobicContact CD-CZ2 3.83Å; K473-W475 HydrophobicContact CG-CZ2 4.48Å; K473-W475 PolarHBondContact O-NE1 2.88Å; W475-W484 HydrophobicContact CB-CB 4.37Å; W475-W484 HydrophobicContact CB-CE3 3.84Å; W475-W484 HydrophobicContact CE3-CB 4.32Å; W475-E485 CarbonylContact C-O 3.55Å; W475-E485 WeakPolarHBondContact CA-O 3.42Å; W475-E486 HydrophobicContact CE3-CB 4.06Å; W475-E486 HydrophobicContact CH2-CB 4.43Å; W475-E486 HydrophobicContact CZ3-CB 3.9Å; W475-F523 CarbonylContact O-C 3.23Å; W475-F523 VanDerWaalsContact O-CA 3.23Å; W475-F523 WeakPolarHBondContact O-CA 3.23Å; W475-N524 HydrophobicContact CB-CB 4.49Å; W475-N524 PolarHBondContact N-O 3.48Å; W475-N524 PolarHBondContact O-N 3.34Å; W475-D526 HydrophobicContact CG-CB 4.47Å; W475-D526 PolarHBondContact NE1-O 3.48Å; W475-P528 HydrophobicContact CH2-CG 4.3Å; W475-P528 HydrophobicContact CZ2-CG 3.98Å
476S88.9Confident86.2Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-121.2146.4165.777.40000111.2W484 E485 E487 R521 L522S476-W484 VanDerWaalsContact C-CE3 3.41Å; S476-W484 WeakPolarHBondContact O-CA 3.35Å; S476-E485 PolarHBondContact N-O 3.33Å; S476-E485 PolarHBondContact O-N 2.6Å; S476-E487 WeakPolarHBondContact CB-OE1 3.36Å; S476-E487 PolarHBondContact OG-OE1 3.16Å; S476-R521 WeakPolarHBondContact OG-CD 3.5Å; S476-R521 PolarHBondContact OG-NH1 2.63Å; S476-L522 CarbonylContact C-O 3.6Å; S476-L522 WeakPolarHBondContact CA-O 3.39Å
477L87.9Confident86.5Confident2 Ų232 Ų321%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-87.5120.4178.3-177.255.1000110.4P328 P415 P479 W484 L522P328-L477 HydrophobicContact CG-CD2 3.64Å; P328-L477 HydrophobicContact CG-CG 4.38Å; P415-L477 HydrophobicContact CB-CD2 3.7Å; P415-L477 HydrophobicContact CG-CD2 4.16Å; L477-P479 WeakPolarHBondContact O-CD 3.39Å; L477-W484 HydrophobicContact CB-CD2 4.1Å; L477-W484 HydrophobicContact CB-CE3 3.85Å; L477-W484 HydrophobicContact CB-CH2 3.71Å; L477-W484 HydrophobicContact CB-CZ2 3.98Å; L477-W484 HydrophobicContact CB-CZ3 3.63Å; L477-W484 HydrophobicContact CD1-CD2 4.13Å; L477-W484 HydrophobicContact CD1-CG 4.32Å; L477-W484 HydrophobicContact CD1-CZ2 4.35Å; L477-W484 HydrophobicContact CD2-CH2 4.34Å; L477-W484 HydrophobicContact CD2-CZ2 4.01Å; L477-W484 HydrophobicContact CG-CZ2 4.35Å; L477-L522 HydrophobicContact CB-CB 4.29Å; L477-L522 HydrophobicContact CD2-CD1 4.38Å; L477-L522 PolarHBondContact N-O 3.12Å
478N85.3Confident86.5Confident17 Ų1728.1 Ų28.19%0.09116%0.155CC..  trans-73.8118.2169.1179.6-37.5000109.3D480 T481 G482 V483 E485N478-D480 PolarHBondContact O-N 3.34Å; N478-D480 PolarHBondContact OD1-N 3.03Å; N478-T481 WeakPolarHBondContact CB-OG1 3.26Å; N478-T481 PolarHBondContact OD1-N 2.85Å; N478-T481 VanDerWaalsContact OD1-N 3.12Å; N478-T481 PolarHBondContact OD1-OG1 3.45Å; N478-G482 VanDerWaalsContact O-CA 3.26Å; N478-G482 WeakPolarHBondContact O-CA 3.4Å; N478-G482 PolarHBondContact O-N 2.92Å; N478-V483 WeakPolarHBondContact CB-O 3.29Å; N478-V483 PolarHBondContact N-O 2.8Å; N478-E485 HydrophobicContact CB-CG 4.28Å; N478-E485 PolarHBondContact ND2-OE1 2.88Å
479P82.4Confident86.5Confident43 Ų4332.8 Ų32.828%0.27918%0.18SC..THydrogen-bonded Turntrans-78.1-17-173.332.1-36.3000114.1V314 L477V314-P479 WeakPolarHBondContact CG1-O 3.41Å; L477-P479 WeakPolarHBondContact O-CD 3.39Å
480D80.5Confident86.5Confident61 Ų6132.8 Ų32.833%0.32618%0.179SC..THydrogen-bonded Turntrans-85.1-36.4177.5-77.5-32.4000111.4G289 K290 V314 N478G289-D480 VanDerWaalsContact CA-OD1 3.27Å; G289-D480 WeakPolarHBondContact CA-OD1 3.09Å; K290-D480 WeakPolarHBondContact CE-OD2 3.39Å; K290-D480 IonicContact NZ-OD2 2.65Å; K290-D480 PolarHBondContact NZ-OD2 2.7Å; V314-D480 WeakPolarHBondContact CG2-O 3.34Å; N478-D480 PolarHBondContact O-N 3.34Å; N478-D480 PolarHBondContact OD1-N 3.03Å
481T81.6Confident86.2Confident14 Ų1430.2 Ų30.29%0.08616%0.164CC..THydrogen-bonded Turntrans-98.5-20.9-178.768.20000113.6Y86 R312 V314 N478 V483Y86-T481 HydrophobicContact CD1-CG2 4.09Å; Y86-T481 HydrophobicContact CD2-CG2 3.48Å; Y86-T481 VanDerWaalsContact CD2-CG2 3.48Å; Y86-T481 HydrophobicContact CE2-CG2 4Å; Y86-T481 HydrophobicContact CG-CG2 3.53Å; R312-T481 PolarHBondContact NE-O 2.69Å; R312-T481 VanDerWaalsContact NE-O 3.08Å; V314-T481 VanDerWaalsContact CG2-C 3.43Å; V314-T481 WeakPolarHBondContact CG2-O 3.34Å; N478-T481 WeakPolarHBondContact CB-OG1 3.26Å; N478-T481 PolarHBondContact OD1-N 2.85Å; N478-T481 VanDerWaalsContact OD1-N 3.12Å; N478-T481 PolarHBondContact OD1-OG1 3.45Å; T481-V483 PolarHBondContact O-N 2.85Å; T481-V483 PolarHBondContact OG1-N 2.89Å
482G85.3Confident85.3Confident0 Ų034.7 Ų34.70%018%0.175CC..  trans65.520.8-173.900000113.2R312 N478R312-G482 PolarHBondContact NH2-O 2.86Å; N478-G482 VanDerWaalsContact O-CA 3.26Å; N478-G482 WeakPolarHBondContact O-CA 3.4Å; N478-G482 PolarHBondContact O-N 2.92Å
483V87.5Confident83.8Confident10 Ų1036.3 Ų36.36%0.06119%0.187CC..  trans-108.3146.4-178.51770000109.2N419 V421 M427 N478 T481N419-V483 WeakPolarHBondContact O-CG1 3.35Å; V421-V483 HydrophobicContact CG2-CG1 3.99Å; M427-V483 HydrophobicContact CE-CG2 4.04Å; N478-V483 WeakPolarHBondContact CB-O 3.29Å; N478-V483 PolarHBondContact N-O 2.8Å; T481-V483 PolarHBondContact O-N 2.85Å; T481-V483 PolarHBondContact OG1-N 2.89Å
484W89.8Confident81.8Confident4 Ų438.3 Ų38.32%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-83.1131176.7-67.289.5000111.5L418 N419 F420 L430 M435 W475 S476 L477 L522 N524L418-W484 HydrophobicContact CD2-CZ2 4.33Å; N419-W484 PolarHBondContact O-N 2.77Å; F420-W484 HydrophobicContact CB-CB 4.4Å; F420-W484 WeakPolarHBondContact CB-O 3.41Å; L430-W484 HydrophobicContact CD1-CB 3.57Å; L430-W484 HydrophobicContact CD1-CD2 4.48Å; L430-W484 HydrophobicContact CD1-CG 3.76Å; M435-W484 HydrophobicContact CG-CH2 4.1Å; M435-W484 HydrophobicContact CG-CZ2 4.3Å; M435-W484 HydrophobicContact SD-CH2 4.47Å; M435-W484 HydrophobicContact SD-CZ2 4.17Å; W475-W484 HydrophobicContact CB-CB 4.37Å; W475-W484 HydrophobicContact CB-CE3 3.84Å; W475-W484 HydrophobicContact CE3-CB 4.32Å; S476-W484 VanDerWaalsContact C-CE3 3.41Å; S476-W484 WeakPolarHBondContact O-CA 3.35Å; L477-W484 HydrophobicContact CB-CD2 4.1Å; L477-W484 HydrophobicContact CB-CE3 3.85Å; L477-W484 HydrophobicContact CB-CH2 3.71Å; L477-W484 HydrophobicContact CB-CZ2 3.98Å; L477-W484 HydrophobicContact CB-CZ3 3.63Å; L477-W484 HydrophobicContact CD1-CD2 4.13Å; L477-W484 HydrophobicContact CD1-CG 4.32Å; L477-W484 HydrophobicContact CD1-CZ2 4.35Å; L477-W484 HydrophobicContact CD2-CH2 4.34Å; L477-W484 HydrophobicContact CD2-CZ2 4.01Å; L477-W484 HydrophobicContact CG-CZ2 4.35Å; W484-L522 HydrophobicContact CH2-CB 4.22Å; W484-L522 WeakPolarHBondContact CZ3-O 3.35Å; W484-N524 HydrophobicContact CE3-CB 3.79Å; W484-N524 HydrophobicContact CH2-CB 3.49Å; W484-N524 VanDerWaalsContact CH2-CB 3.49Å; W484-N524 HydrophobicContact CZ2-CB 4.25Å; W484-N524 HydrophobicContact CZ3-CB 3.22Å
485E87.1Confident79.8Confident39 Ų3940.9 Ų40.918%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-108.6143.1178.1-65.8177173.200109.3W475 S476 N478 R521W475-E485 CarbonylContact C-O 3.55Å; W475-E485 WeakPolarHBondContact CA-O 3.42Å; S476-E485 PolarHBondContact N-O 3.33Å; S476-E485 PolarHBondContact O-N 2.6Å; N478-E485 HydrophobicContact CB-CG 4.28Å; N478-E485 PolarHBondContact ND2-OE1 2.88Å; E485-R521 IonicContact OE2-CZ 2.69Å; E485-R521 IonicContact OE2-NH1 3.05Å; E485-R521 PolarHBondContact OE2-NH1 3.38Å; E485-R521 IonicContact OE2-NH2 3.48Å
486E87.9Confident77.5Confident72 Ų7244.5 Ų44.534%0.33625%0.249SC..EExtended strand (participates in β ladder)trans-79.9126.7-177.1-173.2-169119.700111.3K57 K473 W475K57-E486 PolarHBondContact NZ-O 3.45Å; K473-E486 HydrophobicContact CD-CG 4.19Å; K473-E486 WeakPolarHBondContact CD-OE2 3.49Å; K473-E486 VanDerWaalsContact CE-OE2 3.25Å; K473-E486 WeakPolarHBondContact CE-OE2 3.32Å; K473-E486 IonicContact NZ-OE1 3.6Å; K473-E486 PolarHBondContact NZ-OE1 3.46Å; K473-E486 IonicContact NZ-OE2 2.73Å; K473-E486 PolarHBondContact NZ-OE2 2.66Å; W475-E486 HydrophobicContact CE3-CB 4.06Å; W475-E486 HydrophobicContact CH2-CB 4.43Å; W475-E486 HydrophobicContact CZ3-CB 3.9Å
487E84Confident75.2Confident54 Ų5447.3 Ų47.325%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-97.5-53.8178-68.8-62.8166.700112.6K57 L474 S476 F523K57-E487 VanDerWaalsContact NZ-C 3.29Å; K57-E487 PolarHBondContact NZ-O 2.69Å; L474-E487 HydrophobicContact CB-CB 4.4Å; L474-E487 HydrophobicContact CD2-CB 3.93Å; L474-E487 HydrophobicContact CG-CB 4.07Å; L474-E487 PolarHBondContact O-N 3.21Å; S476-E487 WeakPolarHBondContact CB-OE1 3.36Å; S476-E487 PolarHBondContact OG-OE1 3.16Å; E487-F523 HydrophobicContact CG-CD1 4.42Å; E487-F523 HydrophobicContact CG-CE1 4.29Å
488S82.8Confident73Confident16 Ų1650.8 Ų50.811%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-153.3145.5-179.974.20000114L474 N514L474-S488 WeakPolarHBondContact CB-OG 3.32Å; L474-S488 PolarHBondContact N-O 2.98Å; L474-S488 PolarHBondContact O-N 3.26Å; S488-N514 VanDerWaalsContact CB-O 3.29Å; S488-N514 WeakPolarHBondContact CB-O 3.04Å; S488-N514 PolarHBondContact OG-N 2.96Å; S488-N514 PolarHBondContact OG-O 2.85Å
489D85.3Confident70.8Confident103 Ų10353.9 Ų53.955%0.55133%0.332SS*.EExtended strand (participates in β ladder)trans-63.7148.9159.1-69.6-50.4000111.6K473K473-D489 WeakPolarHBondContact CE-OD1 3.49Å; K473-D489 IonicContact NZ-OD1 3.49Å; K473-D489 PolarHBondContact NZ-OD1 2.77Å; K473-D489 IonicContact NZ-OD2 2.66Å
490F84.6Confident68.8Low25 Ų2561.3 Ų61.311%0.1136%0.363CS..PPolyproline II helixtrans-89.4128170-85.7-85.9000111.6V456 L458 M472 L474 L511 G513 L525V456-F490 HydrophobicContact CB-CE1 4.27Å; V456-F490 HydrophobicContact CB-CZ 4.36Å; V456-F490 HydrophobicContact CG1-CE1 4.47Å; V456-F490 HydrophobicContact CG1-CZ 4.38Å; L458-F490 HydrophobicContact CB-CE1 4.35Å; M472-F490 HydrophobicContact CB-CB 4.45Å; M472-F490 HydrophobicContact CB-CD2 4.21Å; M472-F490 HydrophobicContact CG-CD2 3.67Å; M472-F490 HydrophobicContact CG-CE2 4.05Å; M472-F490 HydrophobicContact CG-CG 4.22Å; M472-F490 PolarHBondContact O-N 2.91Å; L474-F490 HydrophobicContact CB-CE2 3.82Å; L474-F490 HydrophobicContact CB-CZ 4.28Å; F490-L511 HydrophobicContact CB-CB 4.04Å; F490-L511 HydrophobicContact CB-CD1 4.48Å; F490-L511 HydrophobicContact CB-CD2 4.5Å; F490-L511 HydrophobicContact CD1-CB 3.62Å; F490-L511 HydrophobicContact CE1-CB 4.43Å; F490-L511 HydrophobicContact CG-CB 4.09Å; F490-G513 VanDerWaalsContact CE1-N 3.29Å; F490-L525 HydrophobicContact CE2-CD2 4.07Å; F490-L525 HydrophobicContact CZ-CD2 3.59Å
491S79Confident66.7Low60 Ų6060.7 Ų60.742%0.4237%0.37SS..EExtended strand (participates in β ladder)trans-91.3140.1174.264.40000111.6I512S491-I512 PolarHBondContact N-O 3.1Å; S491-I512 PolarHBondContact O-N 2.93Å; S491-I512 PolarHBondContact OG-O 3.12Å
492Y68.4Low64.7Low157 Ų15772.7 Ų72.762%0.61641%0.414SS*.EExtended strand (participates in β ladder)trans-83123178.6-173.2-87000110.8L511Y492-L511 HydrophobicContact CD2-CD2 4.23Å
493S59.1Low62.6Low40 Ų4077.7 Ų77.728%0.2845%0.449SS..EExtended strand (participates in β ladder)trans-142.9127.2178.4-163.40000112.9T495 F510S493-T495 VanDerWaalsContact C-N 3.3Å; S493-T495 PolarHBondContact O-N 2.83Å; S493-T495 VanDerWaalsContact O-N 3.09Å; S493-F510 PolarHBondContact N-O 3.46Å; S493-F510 VanDerWaalsContact O-O 3.1Å
494A48.6Very low60.4Low82 Ų8285.7 Ų85.768%0.67848%0.483SS*.  trans-85.468176.800000111
495T48.8Very low58Low54 Ų5496.1 Ų96.133%0.33152%0.522SS..  trans-90.8117.1176.947.60000111.8S493 A497 I512S493-T495 VanDerWaalsContact C-N 3.3Å; S493-T495 PolarHBondContact O-N 2.83Å; S493-T495 VanDerWaalsContact O-N 3.09Å; T495-A497 PolarHBondContact O-N 2.71Å; T495-A497 VanDerWaalsContact O-N 3.12Å; T495-I512 HydrophobicContact CG2-CD1 4.33Å
496T42.2Very low56.3Low82 Ų82100.1 Ų100.150%0.50354%0.541SS..  trans-64.1111.7166.252.60000110G498T496-G498 PolarHBondContact O-N 3.14Å
497A41.3Very low54.8Low58 Ų58104.3 Ų104.348%0.47956%0.56SS.*  trans-60.2126.8175.300000111T495 S499 F510T495-A497 PolarHBondContact O-N 2.71Å; T495-A497 VanDerWaalsContact O-N 3.12Å; A497-S499 PolarHBondContact O-N 3Å; A497-S499 VanDerWaalsContact O-N 3.13Å; A497-F510 HydrophobicContact CB-CE2 3.98Å; A497-F510 HydrophobicContact CB-CZ 4.25Å
498G41Very low54Low76 Ų76104.3 Ų104.378%0.78456%0.558SS**  trans-79.486.9172.800000110.2T496 H500T496-G498 PolarHBondContact O-N 3.14Å; G498-H500 PolarHBondContact O-N 3.07Å
499S39.6Very low53.7Low82 Ų82105.8 Ų105.857%0.57357%0.567SS**  trans-66.3125.8-175.257.10000112.7A497 G501A497-S499 PolarHBondContact O-N 3Å; A497-S499 VanDerWaalsContact O-N 3.13Å; S499-G501 PolarHBondContact O-N 3.01Å; S499-G501 PolarHBondContact OG-O 3.01Å
500H39.3Very low53.6Low199 Ų199101.8 Ų101.892%0.92154%0.544SS*.SBendtrans-72.771.1165.3-99.2-78.4000110.4G498G498-H500 PolarHBondContact O-N 3.07Å
501G38.3Very low53.4Low47 Ų47100.8 Ų100.849%0.48554%0.54SS..SBendtrans166.2142.1177.200000112.8S499 S503S499-G501 PolarHBondContact O-N 3.01Å; S499-G501 PolarHBondContact OG-O 3.01Å; G501-S503 PolarHBondContact O-N 2.92Å
502R39.2Very low53.7Low267 Ų26798.8 Ų98.8100%1.00853%0.525SS*.SBendtrans-7473.2175.3-74179.7171.6163.6-3.4111.4
503S41Very low54.3Low104 Ų10491.3 Ų91.373%0.72750%0.495SS*.  trans-117.5174.6165.2-163.20000110.7G501G501-S503 PolarHBondContact O-N 2.92Å
504K40.5Very low55.4Low178 Ų17893 Ų9377%0.77450%0.501SS*.  trans-66.6143.3-174.3-73.6178.8177.9175.50112E506K504-E506 PolarHBondContact O-N 3.47Å
505R40.5Very low56.9Low223 Ų22389.5 Ų89.584%0.84247%0.471SS*.  trans-75.784.9174.5-171.3-174.7-167.2-178.14110.1
506E51.6Low58.1Low123 Ų12389.5 Ų89.558%0.57547%0.467SS*.  trans-88.2139.5166.2-68-179.9157.500109.9K504 R508K504-E506 PolarHBondContact O-N 3.47Å; E506-R508 PolarHBondContact O-N 2.79Å; E506-R508 IonicContact OE2-NH2 2.77Å
507E55Low59.6Low160 Ų16086.3 Ų86.375%0.74845%0.447SS*.  trans-83.9111.6173.8-66.7-178.5166.300108.7
508R68.1Low60.4Low55 Ų5587.2 Ų87.221%0.20844%0.438CS..  trans-108.7142.8178-65-174.6177.2-143.33.2110.3D372 D459 E506 F510D372-R508 IonicContact OD2-CZ 3.31Å; D372-R508 IonicContact OD2-NH1 3.69Å; D372-R508 PolarHBondContact OD2-NH1 2.68Å; D372-R508 IonicContact OD2-NH2 2.7Å; D372-R508 PolarHBondContact OD2-NH2 3.12Å; D459-R508 WeakPolarHBondContact OD2-CD 3.46Å; D459-R508 IonicContact OD2-NH1 2.78Å; D459-R508 PolarHBondContact OD2-NH1 2.86Å; E506-R508 PolarHBondContact O-N 2.79Å; E506-R508 IonicContact OE2-NH2 2.77Å; R508-F510 HydrophobicContact CB-CD2 4.48Å; R508-F510 HydrophobicContact CB-CE2 3.66Å; R508-F510 HydrophobicContact CB-CZ 3.95Å
509T77Confident61.6Low47 Ų4787.7 Ų87.729%0.28842%0.42SS..  trans-107.7121.8-176.334.70000110.3T460T460-T509 WeakPolarHBondContact CB-O 3.44Å; T460-T509 WeakPolarHBondContact CG2-O 3.45Å; T460-T509 PolarHBondContact N-O 2.98Å; T460-T509 WeakPolarHBondContact OG1-CB 3.27Å; T460-T509 PolarHBondContact OG1-O 2.65Å; T460-T509 PolarHBondContact OG1-OG1 3.31Å
510F82Confident62.9Low19 Ų1988.9 Ų88.98%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-113.3143-175.4-64.7-86.2000111.6L457 L458 D459 S493 A497 R508L457-F510 HydrophobicContact CB-CB 4.41Å; L457-F510 HydrophobicContact CB-CD1 3.89Å; L457-F510 HydrophobicContact CB-CG 4.34Å; L458-F510 WeakPolarHBondContact O-CA 3.27Å; D459-F510 HydrophobicContact CB-CD1 4.19Å; D459-F510 HydrophobicContact CB-CE1 3.85Å; S493-F510 PolarHBondContact N-O 3.46Å; S493-F510 VanDerWaalsContact O-O 3.1Å; A497-F510 HydrophobicContact CB-CE2 3.98Å; A497-F510 HydrophobicContact CB-CZ 4.25Å; R508-F510 HydrophobicContact CB-CD2 4.48Å; R508-F510 HydrophobicContact CB-CE2 3.66Å; R508-F510 HydrophobicContact CB-CZ 3.95Å
511L80.8Confident64.8Low4 Ų480.8 Ų80.82%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-87.6130.3161-69.6177.1000108.4L457 L458 T460 I469 M472 F490 Y492L457-L511 WeakPolarHBondContact CA-O 3.33Å; L458-L511 HydrophobicContact CB-CB 4.3Å; L458-L511 HydrophobicContact CD2-CD1 4.28Å; L458-L511 PolarHBondContact N-O 2.82Å; L458-L511 PolarHBondContact O-N 3Å; T460-L511 HydrophobicContact CG2-CD1 4.35Å; T460-L511 HydrophobicContact CG2-CG 3.86Å; I469-L511 HydrophobicContact CG2-CD1 4.22Å; I469-L511 HydrophobicContact CG2-CD2 4.09Å; I469-L511 HydrophobicContact CG2-CG 4.48Å; M472-L511 HydrophobicContact CB-CD1 3.86Å; M472-L511 HydrophobicContact CG-CD1 4.03Å; F490-L511 HydrophobicContact CB-CB 4.04Å; F490-L511 HydrophobicContact CB-CD1 4.48Å; F490-L511 HydrophobicContact CB-CD2 4.5Å; F490-L511 HydrophobicContact CD1-CB 3.62Å; F490-L511 HydrophobicContact CE1-CB 4.43Å; F490-L511 HydrophobicContact CG-CB 4.09Å; Y492-L511 HydrophobicContact CD2-CD2 4.23Å
512I84.8Confident67.1Low18 Ų1879.1 Ų79.19%0.09235%0.353CS..EExtended strand (participates in β ladder)trans-110.8109.5-179-46.9-166.8000110.5Q455 V456 L457 S491 T495Q455-I512 HydrophobicContact CB-CG2 4.36Å; V456-I512 WeakPolarHBondContact O-CA 3.27Å; L457-I512 HydrophobicContact CD2-CB 4.26Å; L457-I512 HydrophobicContact CD2-CD1 3.8Å; L457-I512 HydrophobicContact CD2-CG1 3.61Å; L457-I512 HydrophobicContact CD2-CG2 4.07Å; S491-I512 PolarHBondContact N-O 3.1Å; S491-I512 PolarHBondContact O-N 2.93Å; S491-I512 PolarHBondContact OG-O 3.12Å; T495-I512 HydrophobicContact CG2-CD1 4.33Å
513G82.1Confident69.5Low0 Ų066.7 Ų66.70%031%0.306CS..EExtended strand (participates in β ladder)trans-100.4159.1169.900000110.9Q455 V456 F490Q455-G513 WeakPolarHBondContact CA-O 3.48Å; V456-G513 PolarHBondContact N-O 2.91Å; V456-G513 PolarHBondContact O-N 2.63Å; F490-G513 VanDerWaalsContact CE1-N 3.29Å
514N81.7Confident71.9Confident76 Ų7661.8 Ų61.841%0.40627%0.271SS..EExtended strand (participates in β ladder)trans-127.2125.6178.6-57.5-85.4000109.4Q455 S488Q455-N514 PolarHBondContact NE2-OD1 3.28Å; S488-N514 VanDerWaalsContact CB-O 3.29Å; S488-N514 WeakPolarHBondContact CB-O 3.04Å; S488-N514 PolarHBondContact OG-N 2.96Å; S488-N514 PolarHBondContact OG-O 2.85Å
515M80.8Confident74.3Confident7 Ų753.3 Ų53.33%0.03424%0.235CC..EExtended strand (participates in β ladder)trans-120.9164.3179.668163.543.700112.2F436 A453 V454 V456 L474 I517 F523F436-M515 HydrophobicContact CE2-CE 3.62Å; F436-M515 HydrophobicContact CE2-SD 4.44Å; F436-M515 HydrophobicContact CZ-CE 3.59Å; A453-M515 WeakPolarHBondContact CA-O 3.22Å; V454-M515 HydrophobicContact CB-CG 3.77Å; V454-M515 HydrophobicContact CB-SD 4.32Å; V454-M515 HydrophobicContact CG1-CG 4.29Å; V454-M515 HydrophobicContact CG1-SD 4.42Å; V454-M515 PolarHBondContact N-O 3.49Å; V454-M515 WeakPolarHBondContact O-CG 3.29Å; V454-M515 PolarHBondContact O-N 2.85Å; V456-M515 HydrophobicContact CG2-CE 3.88Å; V456-M515 HydrophobicContact CG2-CG 4.4Å; L474-M515 HydrophobicContact CD1-CE 4.1Å; L474-M515 HydrophobicContact CD2-CB 3.65Å; L474-M515 HydrophobicContact CD2-CE 3.79Å; M515-I517 HydrophobicContact SD-CD1 3.81Å; M515-I517 HydrophobicContact SD-CG1 3.78Å; M515-F523 HydrophobicContact CE-CB 3.91Å; M515-F523 HydrophobicContact CE-CD1 3.56Å; M515-F523 HydrophobicContact CE-CD2 3.87Å; M515-F523 HydrophobicContact CE-CE1 3.98Å; M515-F523 HydrophobicContact CE-CE2 4.26Å; M515-F523 HydrophobicContact CE-CG 3.49Å; M515-F523 VanDerWaalsContact CE-CG 3.49Å; M515-F523 HydrophobicContact CE-CZ 4.31Å; M515-F523 HydrophobicContact SD-CD2 4.44Å; M515-F523 HydrophobicContact SD-CE2 4.37Å; M515-F523 HydrophobicContact SD-CZ 4.43Å
516E73.8Confident76.7Confident55 Ų5542.7 Ų42.726%0.25719%0.194SC..EExtended strand (participates in β ladder)trans-132.9123.4172.3-167.1-167.7132.300108.3R518E516-R518 VanDerWaalsContact CD-NH2 3.35Å; E516-R518 HydrophobicContact CG-CG 4.18Å; E516-R518 PolarHBondContact O-N 3.15Å; E516-R518 WeakPolarHBondContact OE1-CG 3.47Å; E516-R518 IonicContact OE1-CZ 3.33Å; E516-R518 IonicContact OE1-NE 3.16Å; E516-R518 PolarHBondContact OE1-NE 2.94Å; E516-R518 IonicContact OE1-NH2 2.94Å; E516-R518 PolarHBondContact OE1-NH2 3.14Å; E516-R518 IonicContact OE2-CZ 3.61Å; E516-R518 IonicContact OE2-NE 2.73Å; E516-R518 PolarHBondContact OE2-NE 3.15Å; E516-R518 IonicContact OE2-NH2 3.39Å; E516-R518 PolarHBondContact OE2-NH2 3.5Å
517I72.5Confident78.5Confident14 Ų1436.8 Ų36.87%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-94.986.6-172.1-62.5165.5000108.4V438 F440 T451 V454 M515 F523V438-I517 HydrophobicContact CB-CD1 4.36Å; V438-I517 HydrophobicContact CG1-CD1 4.09Å; V438-I517 HydrophobicContact CG2-CD1 4.48Å; F440-I517 HydrophobicContact CD2-CD1 4.46Å; F440-I517 HydrophobicContact CE2-CD1 3.67Å; F440-I517 HydrophobicContact CZ-CD1 4.49Å; T451-I517 PolarHBondContact N-O 3.07Å; T451-I517 PolarHBondContact O-N 3.23Å; V454-I517 HydrophobicContact CG2-CD1 4.18Å; M515-I517 HydrophobicContact SD-CD1 3.81Å; M515-I517 HydrophobicContact SD-CG1 3.78Å; I517-F523 HydrophobicContact CG1-CE2 4.17Å; I517-F523 HydrophobicContact CG1-CZ 4.22Å
518R59.7Low80.1Confident78 Ų7831.1 Ų31.129%0.29414%0.144SC..  trans-88.3-26.8-179.7-61.9-179.8-178.2147.515.2114.1E516E516-R518 VanDerWaalsContact CD-NH2 3.35Å; E516-R518 HydrophobicContact CG-CG 4.18Å; E516-R518 PolarHBondContact O-N 3.15Å; E516-R518 WeakPolarHBondContact OE1-CG 3.47Å; E516-R518 IonicContact OE1-CZ 3.33Å; E516-R518 IonicContact OE1-NE 3.16Å; E516-R518 PolarHBondContact OE1-NE 2.94Å; E516-R518 IonicContact OE1-NH2 2.94Å; E516-R518 PolarHBondContact OE1-NH2 3.14Å; E516-R518 IonicContact OE2-CZ 3.61Å; E516-R518 IonicContact OE2-NE 2.73Å; E516-R518 PolarHBondContact OE2-NE 3.15Å; E516-R518 IonicContact OE2-NH2 3.39Å; E516-R518 PolarHBondContact OE2-NH2 3.5Å
519E64.7Low81Confident86 Ų8629 Ų2940%0.40214%0.136SC..SBendtrans-156.9157.1-17237.1168.513300109.7R521E519-R521 VanDerWaalsContact C-N 3.26Å; E519-R521 HydrophobicContact CG-CG 4.16Å; E519-R521 PolarHBondContact O-N 2.85Å; E519-R521 IonicContact OE1-CZ 3.12Å; E519-R521 IonicContact OE1-NE 2.88Å; E519-R521 PolarHBondContact OE1-NE 3.39Å; E519-R521 IonicContact OE1-NH2 3.38Å; E519-R521 PolarHBondContact OE1-NH2 2.61Å; E519-R521 IonicContact OE2-CZ 2.96Å; E519-R521 IonicContact OE2-NE 3.42Å; E519-R521 PolarHBondContact OE2-NE 3.27Å; E519-R521 IonicContact OE2-NH2 3.02Å; E519-R521 PolarHBondContact OE2-NH2 3.46Å
520R68Low81.2Confident106 Ų10632.3 Ų32.340%0.415%0.152SC..  trans-7476.1179.6-69.7-155.9-159.5111.316.7111.8D326 D439D326-R520 IonicContact OD2-NH1 3.07Å; D439-R520 IonicContact OD1-CZ 2.72Å; D439-R520 IonicContact OD1-NE 2.75Å; D439-R520 PolarHBondContact OD1-NE 2.66Å; D439-R520 IonicContact OD1-NH2 3.88Å
521R78.8Confident81.3Confident30 Ų3033.8 Ų33.811%0.11316%0.157CC..PPolyproline II helixtrans-94.7156.8167.5-62.3-171.9-178.1-162.64110.9S476 E485 E519S476-R521 WeakPolarHBondContact OG-CD 3.5Å; S476-R521 PolarHBondContact OG-NH1 2.63Å; E485-R521 IonicContact OE2-CZ 2.69Å; E485-R521 IonicContact OE2-NH1 3.05Å; E485-R521 PolarHBondContact OE2-NH1 3.38Å; E485-R521 IonicContact OE2-NH2 3.48Å; E519-R521 VanDerWaalsContact C-N 3.26Å; E519-R521 HydrophobicContact CG-CG 4.16Å; E519-R521 PolarHBondContact O-N 2.85Å; E519-R521 IonicContact OE1-CZ 3.12Å; E519-R521 IonicContact OE1-NE 2.88Å; E519-R521 PolarHBondContact OE1-NE 3.39Å; E519-R521 IonicContact OE1-NH2 3.38Å; E519-R521 PolarHBondContact OE1-NH2 2.61Å; E519-R521 IonicContact OE2-CZ 2.96Å; E519-R521 IonicContact OE2-NE 3.42Å; E519-R521 PolarHBondContact OE2-NE 3.27Å; E519-R521 IonicContact OE2-NH2 3.02Å; E519-R521 PolarHBondContact OE2-NH2 3.46Å
522L86.9Confident81.6Confident12 Ų1234.5 Ų34.56%0.06316%0.16CC..EExtended strand (participates in β ladder)trans-81.9132.6160.9-75.3131.4000108P328 P415 F436 S476 L477 W484P328-L522 HydrophobicContact CG-CD1 4.24Å; P415-L522 HydrophobicContact CB-CD1 3.85Å; P415-L522 HydrophobicContact CG-CD1 3.76Å; P415-L522 HydrophobicContact CG-CD2 4.09Å; P415-L522 HydrophobicContact CG-CG 4.33Å; F436-L522 WeakPolarHBondContact O-CA 3.42Å; S476-L522 CarbonylContact C-O 3.6Å; S476-L522 WeakPolarHBondContact CA-O 3.39Å; L477-L522 HydrophobicContact CB-CB 4.29Å; L477-L522 HydrophobicContact CD2-CD1 4.38Å; L477-L522 PolarHBondContact N-O 3.12Å; W484-L522 HydrophobicContact CH2-CB 4.22Å; W484-L522 WeakPolarHBondContact CZ3-O 3.35Å
523F90.2Very high81.9Confident6 Ų633.7 Ų33.73%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-102.8156.5175.6-64.2-80.3000110.5M435 F436 L474 W475 E487 M515 I517M435-F523 CarbonylContact C-O 3.47Å; M435-F523 VanDerWaalsContact CA-O 3.24Å; M435-F523 WeakPolarHBondContact CA-O 3.27Å; F436-F523 HydrophobicContact CD1-CB 4.29Å; F436-F523 HydrophobicContact CD2-CB 4.12Å; F436-F523 HydrophobicContact CE1-CB 3.9Å; F436-F523 HydrophobicContact CE2-CB 3.73Å; F436-F523 HydrophobicContact CE2-CD2 4.28Å; F436-F523 HydrophobicContact CE2-CG 4.28Å; F436-F523 HydrophobicContact CG-CB 4.38Å; F436-F523 HydrophobicContact CZ-CB 3.61Å; F436-F523 HydrophobicContact CZ-CG 4.45Å; F436-F523 PolarHBondContact N-O 2.87Å; F436-F523 PolarHBondContact O-N 3.27Å; L474-F523 HydrophobicContact CD1-CB 4.45Å; W475-F523 CarbonylContact O-C 3.23Å; W475-F523 VanDerWaalsContact O-CA 3.23Å; W475-F523 WeakPolarHBondContact O-CA 3.23Å; E487-F523 HydrophobicContact CG-CD1 4.42Å; E487-F523 HydrophobicContact CG-CE1 4.29Å; M515-F523 HydrophobicContact CE-CB 3.91Å; M515-F523 HydrophobicContact CE-CD1 3.56Å; M515-F523 HydrophobicContact CE-CD2 3.87Å; M515-F523 HydrophobicContact CE-CE1 3.98Å; M515-F523 HydrophobicContact CE-CE2 4.26Å; M515-F523 HydrophobicContact CE-CG 3.49Å; M515-F523 VanDerWaalsContact CE-CG 3.49Å; M515-F523 HydrophobicContact CE-CZ 4.31Å; M515-F523 HydrophobicContact SD-CD2 4.44Å; M515-F523 HydrophobicContact SD-CE2 4.37Å; M515-F523 HydrophobicContact SD-CZ 4.43Å; I517-F523 HydrophobicContact CG1-CE2 4.17Å; I517-F523 HydrophobicContact CG1-CZ 4.22Å
524N91.2Very high82.4Confident0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-153.1149-171.7-163.821.5000113.6L418 T432 G434 M435 W475 W484 D526L418-N524 WeakPolarHBondContact CD2-ND2 2.93Å; T432-N524 PolarHBondContact OG1-OD1 3.31Å; G434-N524 VanDerWaalsContact C-OD1 3.24Å; G434-N524 PolarHBondContact O-OD1 3.45Å; G434-N524 VanDerWaalsContact O-OD1 3.09Å; M435-N524 HydrophobicContact CG-CB 3.98Å; M435-N524 WeakPolarHBondContact CG-OD1 3.3Å; M435-N524 PolarHBondContact N-OD1 2.84Å; W475-N524 HydrophobicContact CB-CB 4.49Å; W475-N524 PolarHBondContact N-O 3.48Å; W475-N524 PolarHBondContact O-N 3.34Å; W484-N524 HydrophobicContact CE3-CB 3.79Å; W484-N524 HydrophobicContact CH2-CB 3.49Å; W484-N524 VanDerWaalsContact CH2-CB 3.49Å; W484-N524 HydrophobicContact CZ2-CB 4.25Å; W484-N524 HydrophobicContact CZ3-CB 3.22Å; N524-D526 VanDerWaalsContact CG-CG 3.47Å; N524-D526 PolarHBondContact ND2-OD1 3.24Å; N524-D526 PolarHBondContact ND2-OD2 2.88Å; N524-D526 PolarHBondContact OD1-OD1 3.09Å
525L90.5Very high83Confident0 Ų031.2 Ų31.20%014%0.141CC..EExtended strand (participates in β ladder)trans-111.882.3-170.2-58.8178.5000109.6Y433 G434 F436 V456 L458 L474 F490Y433-L525 WeakPolarHBondContact CB-O 3.43Å; Y433-L525 PolarHBondContact N-O 3.04Å; G434-L525 PolarHBondContact O-N 3.3Å; F436-L525 HydrophobicContact CE1-CD1 4.42Å; F436-L525 HydrophobicContact CE1-CD2 4.12Å; F436-L525 HydrophobicContact CE1-CG 4.1Å; V456-L525 HydrophobicContact CG1-CD2 4.05Å; L458-L525 HydrophobicContact CD1-CD1 4.37Å; L474-L525 HydrophobicContact CD1-CD2 3.91Å; F490-L525 HydrophobicContact CE2-CD2 4.07Å; F490-L525 HydrophobicContact CZ-CD2 3.59Å
526D90.7Very high83.6Confident0 Ų031 Ų310%014%0.139CC..EExtended strand (participates in β ladder)trans-131.7152.9-160.5-80.138.5000113.9L430 R431 T432 K473 W475 N524L430-D526 HydrophobicContact CB-CB 4.03Å; L430-D526 VanDerWaalsContact CB-OD2 3.29Å; L430-D526 WeakPolarHBondContact CB-OD2 3.47Å; L430-D526 HydrophobicContact CD1-CB 3.97Å; L430-D526 HydrophobicContact CD2-CB 4.26Å; L430-D526 HydrophobicContact CG-CB 4.32Å; R431-D526 VanDerWaalsContact O-CA 3.24Å; R431-D526 WeakPolarHBondContact O-CA 3.35Å; R431-D526 WeakPolarHBondContact O-CB 3.18Å; R431-D526 VanDerWaalsContact O-CG 3.27Å; T432-D526 WeakPolarHBondContact CA-OD1 3.29Å; T432-D526 WeakPolarHBondContact CA-OD2 3.15Å; T432-D526 WeakPolarHBondContact CB-OD1 3.42Å; T432-D526 WeakPolarHBondContact CB-OD2 3.41Å; T432-D526 PolarHBondContact N-OD2 3.42Å; T432-D526 PolarHBondContact OG1-OD1 3.47Å; K473-D526 PolarHBondContact N-O 3.41Å; K473-D526 VanDerWaalsContact N-O 3.1Å; K473-D526 PolarHBondContact O-N 3.18Å; W475-D526 HydrophobicContact CG-CB 4.47Å; W475-D526 PolarHBondContact NE1-O 3.48Å; N524-D526 VanDerWaalsContact CG-CG 3.47Å; N524-D526 PolarHBondContact ND2-OD1 3.24Å; N524-D526 PolarHBondContact ND2-OD2 2.88Å; N524-D526 PolarHBondContact OD1-OD1 3.09Å
527V89.9Confident84.7Confident0 Ų028.3 Ų28.30%013%0.127CC..EExtended strand (participates in β ladder)trans-113.8141.4169.9-66.80000111.4L430 R431 Y433 H468 M472 E529L430-V527 WeakPolarHBondContact CA-O 3.46Å; R431-V527 HydrophobicContact CB-CG2 3.88Å; R431-V527 HydrophobicContact CG-CG2 4.43Å; R431-V527 PolarHBondContact N-O 3.23Å; R431-V527 PolarHBondContact O-N 2.9Å; Y433-V527 HydrophobicContact CE2-CG2 4.4Å; H468-V527 HydrophobicContact CB-CG1 3.82Å; H468-V527 HydrophobicContact CB-CG2 4.21Å; H468-V527 WeakPolarHBondContact O-CG1 3.06Å; M472-V527 HydrophobicContact CB-CG1 4.39Å; M472-V527 HydrophobicContact CE-CG1 3.87Å; M472-V527 HydrophobicContact SD-CG1 4Å; V527-E529 PolarHBondContact O-N 2.98Å
528P88.9Confident85.7Confident40 Ų4027.7 Ų27.726%0.2612%0.124SC..EExtended strand (participates in β ladder)trans-60.4128.5161.3-2436.4000110.8F420 L430 W475F420-P528 HydrophobicContact CE1-CB 3.71Å; F420-P528 HydrophobicContact CE1-CG 3.96Å; F420-P528 HydrophobicContact CZ-CB 3.72Å; F420-P528 HydrophobicContact CZ-CG 3.81Å; L430-P528 HydrophobicContact CD2-CG 4.45Å; W475-P528 HydrophobicContact CH2-CG 4.3Å; W475-P528 HydrophobicContact CZ2-CG 3.98Å
529E86.4Confident87.2Confident10 Ų1024 Ų245%0.04711%0.11CC..  trans-121.9132.2179175.861.3-88.500111.3P429 R431 H468 V527 R531 R532 F592 Y601P429-E529 PolarHBondContact O-N 2.89Å; R431-E529 HydrophobicContact CB-CB 4.2Å; H468-E529 IonicContact CE1-OE2 3.3Å; H468-E529 IonicContact NE2-OE2 3.5Å; H468-E529 PolarHBondContact NE2-OE2 2.89Å; V527-E529 PolarHBondContact O-N 2.98Å; E529-R531 VanDerWaalsContact OE1-CB 3.31Å; E529-R531 WeakPolarHBondContact OE1-CB 3.47Å; E529-R531 PolarHBondContact OE1-N 3.47Å; E529-R531 IonicContact OE1-NE 2.71Å; E529-R531 PolarHBondContact OE1-NE 2.85Å; E529-R531 VanDerWaalsContact OE1-NE 3.16Å; E529-R531 IonicContact OE1-NH2 2.72Å; E529-R531 IonicContact OE2-CZ 2.89Å; E529-R531 IonicContact OE2-NE 3.27Å; E529-R531 PolarHBondContact OE2-NE 2.71Å; E529-R531 IonicContact OE2-NH2 2.74Å; E529-R531 PolarHBondContact OE2-NH2 3.24Å; E529-R532 PolarHBondContact O-NE 2.76Å; E529-R532 PolarHBondContact O-NH2 3.28Å; E529-F592 HydrophobicContact CB-CD1 4.11Å; E529-F592 HydrophobicContact CB-CE1 3.55Å; E529-F592 HydrophobicContact CB-CE2 4.27Å; E529-F592 HydrophobicContact CB-CZ 3.62Å; E529-F592 HydrophobicContact CG-CD1 3.4Å; E529-F592 HydrophobicContact CG-CD2 4.21Å; E529-F592 HydrophobicContact CG-CE1 3.39Å; E529-F592 HydrophobicContact CG-CE2 4.19Å; E529-F592 HydrophobicContact CG-CG 3.82Å; E529-F592 HydrophobicContact CG-CZ 3.79Å; E529-Y601 PolarHBondContact OE2-OH 3.38Å
530N80.8Confident88.2Confident117 Ų11720 Ų2063%0.6269%0.091SC*.  trans-113.3-12.7-171.4-69.4-24.3000112.8R532N530-R532 VanDerWaalsContact C-N 3.34Å; N530-R532 PolarHBondContact O-N 2.8Å; N530-R532 PolarHBondContact OD1-NH2 3.23Å
531R84.5Confident88.5Confident51 Ų5118.4 Ų18.419%0.1929%0.089CC..  trans-75.778.5175.4-72.2176.5-72.8-165.6-0.7111.5E467 H468 E529 F592 C593 D594 Y601E467-R531 VanDerWaalsContact CD-NH1 3.34Å; E467-R531 IonicContact OE1-CZ 3.34Å; E467-R531 VanDerWaalsContact OE1-CZ 3.25Å; E467-R531 IonicContact OE1-NH1 2.72Å; E467-R531 PolarHBondContact OE1-NH1 3.31Å; E467-R531 IonicContact OE1-NH2 3.48Å; E467-R531 PolarHBondContact OE1-NH2 2.78Å; E467-R531 IonicContact OE2-NH1 3.16Å; E467-R531 PolarHBondContact OE2-NH1 2.75Å; H468-R531 PolarHBondContact NE2-NH2 3.02Å; H468-R531 VanDerWaalsContact NE2-NH2 3.15Å; E529-R531 VanDerWaalsContact OE1-CB 3.31Å; E529-R531 WeakPolarHBondContact OE1-CB 3.47Å; E529-R531 PolarHBondContact OE1-N 3.47Å; E529-R531 IonicContact OE1-NE 2.71Å; E529-R531 PolarHBondContact OE1-NE 2.85Å; E529-R531 VanDerWaalsContact OE1-NE 3.16Å; E529-R531 IonicContact OE1-NH2 2.72Å; E529-R531 IonicContact OE2-CZ 2.89Å; E529-R531 IonicContact OE2-NE 3.27Å; E529-R531 PolarHBondContact OE2-NE 2.71Å; E529-R531 IonicContact OE2-NH2 2.74Å; E529-R531 PolarHBondContact OE2-NH2 3.24Å; R531-F592 CarbonylContact O-C 3.59Å; R531-F592 WeakPolarHBondContact O-CA 3.4Å; R531-C593 WeakPolarHBondContact CB-O 3.15Å; R531-C593 PolarHBondContact O-N 3.43Å; R531-D594 IonicContact NH1-OD2 3.95Å; R531-Y601 PolarHBondContact NE-OH 2.75Å; R531-Y601 PolarHBondContact NH2-OH 3.44Å; R531-Y601 VanDerWaalsContact NH2-OH 3.13Å
532R87.4Confident88.2Confident19 Ų1917.9 Ų17.97%0.0729%0.09CC..EExtended strand (participates in β ladder)trans-115.6152.2-170.7-56.6169.1-156.6165.55.6113.9L428 P429 E529 N530 A591 F592 Y677L428-R532 VanDerWaalsContact CD2-NH1 3.32Å; P429-R532 HydrophobicContact CG-CG 4.24Å; E529-R532 PolarHBondContact O-NE 2.76Å; E529-R532 PolarHBondContact O-NH2 3.28Å; N530-R532 VanDerWaalsContact C-N 3.34Å; N530-R532 PolarHBondContact O-N 2.8Å; N530-R532 PolarHBondContact OD1-NH2 3.23Å; R532-A591 WeakPolarHBondContact CA-O 3.34Å; R532-F592 HydrophobicContact CG-CD1 4.4Å; R532-Y677 HydrophobicContact CB-CD1 4.29Å; R532-Y677 HydrophobicContact CB-CD2 3.61Å; R532-Y677 HydrophobicContact CB-CE2 4.27Å; R532-Y677 HydrophobicContact CB-CG 3.61Å; R532-Y677 HydrophobicContact CG-CD2 4.38Å; R532-Y677 PolarHBondContact NH1-OH 2.9Å; R532-Y677 WeakPolarHBondContact O-CB 3.45Å
533C91.1Very high87.9Confident0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-155178.3167.648.90000110.7P590 A591 C593 I674 Y675C533-P590 WeakPolarHBondContact O-CA 3.29Å; C533-A591 PolarHBondContact N-O 3.25Å; C533-A591 PolarHBondContact O-N 2.88Å; C533-C593 HydrophobicContact CB-CB 4.4Å; C533-C593 WeakPolarHBondContact CB-SG 2.92Å; C533-C593 PolarHBondContact N-SG 2.82Å; C533-C593 VanDerWaalsContact N-SG 3.36Å; C533-C593 WeakPolarHBondContact SG-CB 3.46Å; C533-C593 CovalentContact SG-SG 2.02Å; C533-C593 PolarHBondContact SG-SG 3.13Å; C533-I674 HydrophobicContact CB-CG2 3.63Å; C533-I674 WeakPolarHBondContact SG-CG2 3.42Å; C533-Y675 CarbonylContact C-O 3.56Å; C533-Y675 VanDerWaalsContact CA-O 3.26Å; C533-Y675 WeakPolarHBondContact CA-O 3.41Å; C533-Y675 WeakPolarHBondContact CB-O 3.35Å
534Y91.8Very high87.2Confident24 Ų2429.1 Ų29.19%0.09414%0.141CC..EExtended strand (participates in β ladder)trans-113.9139.3170-62-77.6000111.2L589 P590 I674 Y675 Y677 L680Y534-L589 CarbonylContact C-O 3.5Å; Y534-L589 VanDerWaalsContact CA-O 3.27Å; Y534-L589 WeakPolarHBondContact CA-O 3.44Å; Y534-P590 HydrophobicContact CD1-CB 4.15Å; Y534-P590 HydrophobicContact CE1-CB 3.93Å; Y534-I674 CarbonylContact O-C 3.49Å; Y534-I674 WeakPolarHBondContact O-CA 3.45Å; Y534-Y675 PolarHBondContact N-O 2.9Å; Y534-Y675 PolarHBondContact O-N 3.18Å; Y534-Y677 HydrophobicContact CE1-CD2 4.42Å; Y534-Y677 AromaticContact CE2-CD2 3.75Å; Y534-Y677 HydrophobicContact CE2-CD2 3.75Å; Y534-Y677 HydrophobicContact CE2-CE2 4.39Å; Y534-Y677 HydrophobicContact CE2-CG 4.32Å; Y534-Y677 WeakPolarHBondContact CE2-O 3.38Å; Y534-Y677 AromaticContact CZ-CD2 3.65Å; Y534-Y677 AromaticContact CZ-CE2 3.86Å; Y534-Y677 WeakPolarHBondContact OH-CE2 3.17Å; Y534-L680 HydrophobicContact CD1-CD1 4.1Å; Y534-L680 HydrophobicContact CD2-CB 4.3Å; Y534-L680 HydrophobicContact CD2-CD1 4.22Å; Y534-L680 HydrophobicContact CE1-CD1 3.82Å; Y534-L680 HydrophobicContact CE2-CB 3.62Å; Y534-L680 HydrophobicContact CE2-CD1 3.93Å; Y534-L680 HydrophobicContact CE2-CG 4.28Å; Y534-L680 HydrophobicContact CG-CD1 4.29Å
535V93.9Very high86.9Confident0 Ų030.1 Ų30.10%015%0.145CC..EExtended strand (participates in β ladder)trans-102.6123.7173.5-175.60000109.4V537 L558 L589 A591 I657 L659 F693V535-V537 HydrophobicContact CG1-CG2 4.23Å; V535-L558 HydrophobicContact CB-CD1 4.05Å; V535-L558 HydrophobicContact CG2-CD1 3.77Å; V535-L589 PolarHBondContact N-O 3.45Å; V535-L589 PolarHBondContact O-N 2.78Å; V535-A591 HydrophobicContact CG2-CB 4.05Å; V535-I657 HydrophobicContact CG1-CD1 4.15Å; V535-L659 HydrophobicContact CG2-CD2 3.67Å; V535-F693 HydrophobicContact CG1-CD2 3.82Å; V535-F693 HydrophobicContact CG1-CE2 3.98Å
536K95Very high86.3Confident2 Ų233.2 Ų33.21%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-85.4122.5179.7-169.474-173.6179.70111.2N585 C588 P673 Y675 C683 E684 A686 H692 F693K536-N585 WeakPolarHBondContact CE-O 3.36Å; K536-N585 PolarHBondContact NZ-O 2.81Å; K536-C588 VanDerWaalsContact CD-SG 3.53Å; K536-P673 WeakPolarHBondContact CB-O 3.29Å; K536-P673 PolarHBondContact N-O 3.22Å; K536-Y675 HydrophobicContact CB-CD2 4.26Å; K536-Y675 HydrophobicContact CB-CE2 3.79Å; K536-Y675 HydrophobicContact CG-CE2 4.36Å; K536-C683 WeakPolarHBondContact CD-O 3.27Å; K536-C683 WeakPolarHBondContact CE-O 3.49Å; K536-C683 PolarHBondContact NZ-O 2.97Å; K536-E684 PolarHBondContact NZ-O 2.91Å; K536-A686 HydrophobicContact CD-CB 4.33Å; K536-H692 HydrophobicContact CB-CB 4.19Å; K536-H692 HydrophobicContact CG-CB 3.69Å; K536-F693 PolarHBondContact O-N 2.89Å
537V95.4Very high85.7Confident0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-131.3137179.5-173.40000110.2V535 I556 G586 A587 L589 V605 F693 F695V535-V537 HydrophobicContact CG1-CG2 4.23Å; V537-I556 HydrophobicContact CB-CG1 4.48Å; V537-I556 HydrophobicContact CB-CG2 4.22Å; V537-I556 HydrophobicContact CG1-CD1 4.08Å; V537-I556 HydrophobicContact CG1-CG1 4.23Å; V537-I556 HydrophobicContact CG1-CG2 4.03Å; V537-I556 HydrophobicContact CG2-CG2 4.26Å; V537-G586 WeakPolarHBondContact O-CA 3.4Å; V537-A587 PolarHBondContact N-O 2.04Å; V537-A587 PolarHBondContact O-N 2.85Å; V537-L589 HydrophobicContact CB-CD1 4.03Å; V537-L589 HydrophobicContact CG2-CD1 3.65Å; V537-V605 HydrophobicContact CG2-CG1 4.48Å; V537-F693 WeakPolarHBondContact CA-O 3.27Å; V537-F693 HydrophobicContact CG2-CB 4.42Å; V537-F695 HydrophobicContact CG1-CD2 3.73Å; V537-F695 HydrophobicContact CG1-CE2 3.95Å
538R94.1Very high84.8Confident1 Ų141.6 Ų41.60%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-121.4148.2171-65.4-178.8-171-98.1-3.2110.1Y540 N585 A686 P687 H692 F693 R694 F695R538-Y540 HydrophobicContact CB-CD2 4.39Å; R538-Y540 HydrophobicContact CB-CE2 3.56Å; R538-Y540 VanDerWaalsContact CD-OH 3.25Å; R538-Y540 WeakPolarHBondContact CD-OH 3.24Å; R538-N585 VanDerWaalsContact CZ-O 3.28Å; R538-N585 PolarHBondContact NH1-O 3.25Å; R538-A686 PolarHBondContact NH2-O 2.91Å; R538-P687 PolarHBondContact NH2-O 2.85Å; R538-H692 HydrophobicContact CG-CB 4.41Å; R538-F693 PolarHBondContact N-O 3.05Å; R538-R694 WeakPolarHBondContact O-CA 3.36Å; R538-F695 PolarHBondContact O-N 2.9Å
539A90.5Very high84Confident0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-117146.417400000109.8Q550 L551 V554 T582 L614 F695A539-Q550 CarbonylContact O-C 3.15Å; A539-Q550 WeakPolarHBondContact O-CA 3.22Å; A539-Q550 VanDerWaalsContact O-CG 3.23Å; A539-Q550 WeakPolarHBondContact O-CG 3.29Å; A539-L551 HydrophobicContact CB-CB 4.12Å; A539-L551 PolarHBondContact O-N 3.37Å; A539-V554 HydrophobicContact CB-CB 4.14Å; A539-V554 HydrophobicContact CB-CG1 4.19Å; A539-V554 HydrophobicContact CB-CG2 3.76Å; A539-T582 HydrophobicContact CB-CG2 4.39Å; A539-L614 HydrophobicContact CB-CD2 3.89Å; A539-F695 CarbonylContact C-O 3.52Å; A539-F695 WeakPolarHBondContact CA-O 3.48Å; A539-F695 HydrophobicContact CB-CB 4.4Å
540Y86.1Confident83.8Confident1 Ų142 Ų420%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-135.3155-173.8-65.8-91.9000112.8R538 S542 F545 L546 E549 Q550 L551 H692 R694 F695 F696 R697R538-Y540 HydrophobicContact CB-CD2 4.39Å; R538-Y540 HydrophobicContact CB-CE2 3.56Å; R538-Y540 VanDerWaalsContact CD-OH 3.25Å; R538-Y540 WeakPolarHBondContact CD-OH 3.24Å; Y540-S542 VanDerWaalsContact C-N 3.28Å; Y540-S542 PolarHBondContact O-N 3.28Å; Y540-F545 HydrophobicContact CD1-CB 4.43Å; Y540-F545 HydrophobicContact CD2-CB 4.31Å; Y540-F545 AromaticContact CD2-CD1 3.64Å; Y540-F545 HydrophobicContact CD2-CD1 3.64Å; Y540-F545 HydrophobicContact CD2-CG 4.46Å; Y540-F545 HydrophobicContact CE1-CB 4.42Å; Y540-F545 WeakPolarHBondContact CE1-O 3.43Å; Y540-F545 HydrophobicContact CE2-CB 4.3Å; Y540-F545 HydrophobicContact CE2-CD1 4.18Å; Y540-F545 HydrophobicContact CG-CB 4.36Å; Y540-F545 HydrophobicContact CG-CD1 4.01Å; Y540-L546 WeakPolarHBondContact CD1-O 3.43Å; Y540-L546 WeakPolarHBondContact CE1-O 3.34Å; Y540-E549 CarbonylContact C-O 3.56Å; Y540-E549 WeakPolarHBondContact CA-O 3.4Å; Y540-Q550 HydrophobicContact CD1-CB 4.2Å; Y540-Q550 HydrophobicContact CD1-CG 4.42Å; Y540-Q550 HydrophobicContact CE1-CB 4.13Å; Y540-Q550 HydrophobicContact CE1-CG 4.21Å; Y540-L551 WeakPolarHBondContact O-CD1 3.38Å; Y540-H692 PolarHBondContact OH-NE2 2.84Å; Y540-R694 HydrophobicContact CE2-CB 4.45Å; Y540-R694 HydrophobicContact CE2-CG 3.98Å; Y540-F695 PolarHBondContact N-O 2.73Å; Y540-F696 CarbonylContact O-C 3.5Å; Y540-F696 WeakPolarHBondContact O-CA 3.43Å; Y540-R697 PolarHBondContact O-N 2.81Å
541M74.3Confident83.7Confident74 Ų7437 Ų3737%0.36519%0.185SC..SBendtrans-71.5-21.5177.3-163.470.482.700112.6E549 L551M541-E549 HydrophobicContact CB-CB 4.1Å; M541-E549 PolarHBondContact N-O 2.94Å; M541-L551 HydrophobicContact CB-CD2 4.29Å; M541-L551 HydrophobicContact CE-CD2 3.57Å; M541-L551 HydrophobicContact SD-CD2 3.91Å
542S73.2Confident83.5Confident19 Ų1937.3 Ų37.313%0.13319%0.189CC..SBendtrans-147.7161.9-179.9840000113.7Y540 K544 F545 E549Y540-S542 VanDerWaalsContact C-N 3.28Å; Y540-S542 PolarHBondContact O-N 3.28Å; S542-K544 PolarHBondContact O-N 3.08Å; S542-K544 WeakPolarHBondContact OG-CB 3.38Å; S542-K544 PolarHBondContact OG-N 2.93Å; S542-F545 PolarHBondContact O-N 2.93Å; S542-E549 WeakPolarHBondContact CB-OE2 3.24Å; S542-E549 PolarHBondContact OG-OE2 3Å
543E79.3Confident82.7Confident138 Ų13837 Ų3765%0.64519%0.192SC*.THydrogen-bonded Turntrans-58.9-1.517363.1175.7-17400115.1F545 F696E543-F545 VanDerWaalsContact O-CD2 3.29Å; E543-F545 WeakPolarHBondContact O-CD2 3.11Å; E543-F545 WeakPolarHBondContact O-CE2 3.43Å; E543-F696 HydrophobicContact CB-CD2 4.23Å; E543-F696 HydrophobicContact CB-CE2 4.28Å
544K76.4Confident82.1Confident116 Ų11637 Ų3750%0.50419%0.192SC..THydrogen-bonded Turntrans-89.7-12.1178.3-61.8163.6-170.7143.20112.9S542 L546S542-K544 PolarHBondContact O-N 3.08Å; S542-K544 WeakPolarHBondContact OG-CB 3.38Å; S542-K544 PolarHBondContact OG-N 2.93Å; K544-L546 HydrophobicContact CB-CG 4.1Å; K544-L546 PolarHBondContact O-N 3.17Å; K544-L546 VanDerWaalsContact O-N 3.12Å
545F83.9Confident81.5Confident21 Ų2136.6 Ų36.69%0.09219%0.192CC..  trans51.735.1175.9-47.8-66.3000114.6Y540 S542 E543 A617 I627 R694 F696Y540-F545 HydrophobicContact CD1-CB 4.43Å; Y540-F545 HydrophobicContact CD2-CB 4.31Å; Y540-F545 AromaticContact CD2-CD1 3.64Å; Y540-F545 HydrophobicContact CD2-CD1 3.64Å; Y540-F545 HydrophobicContact CD2-CG 4.46Å; Y540-F545 HydrophobicContact CE1-CB 4.42Å; Y540-F545 WeakPolarHBondContact CE1-O 3.43Å; Y540-F545 HydrophobicContact CE2-CB 4.3Å; Y540-F545 HydrophobicContact CE2-CD1 4.18Å; Y540-F545 HydrophobicContact CG-CB 4.36Å; Y540-F545 HydrophobicContact CG-CD1 4.01Å; S542-F545 PolarHBondContact O-N 2.93Å; E543-F545 VanDerWaalsContact O-CD2 3.29Å; E543-F545 WeakPolarHBondContact O-CD2 3.11Å; E543-F545 WeakPolarHBondContact O-CE2 3.43Å; F545-A617 HydrophobicContact CZ-CB 4.38Å; F545-I627 HydrophobicContact CE2-CG2 4.06Å; F545-I627 HydrophobicContact CZ-CG2 4.49Å; F545-R694 HydrophobicContact CD1-CB 3.93Å; F545-R694 VanDerWaalsContact CD1-CD 3.43Å; F545-R694 HydrophobicContact CD1-CG 4.28Å; F545-R694 HydrophobicContact CE1-CB 3.76Å; F545-R694 VanDerWaalsContact CG-CD 3.45Å; F545-R694 HydrophobicContact CZ-CB 4.44Å; F545-F696 HydrophobicContact CE1-CB 4.04Å; F545-F696 AromaticContact CE1-CD1 3.93Å; F545-F696 HydrophobicContact CE1-CD1 3.93Å; F545-F696 HydrophobicContact CE1-CG 4.34Å; F545-F696 AromaticContact CZ-CD1 3.98Å; F545-F696 HydrophobicContact CZ-CD1 3.98Å
546L79.6Confident81.1Confident65 Ų6536.6 Ų36.634%0.3419%0.192SC..  trans-67.7136.2179.8-64.6177.2000110.4Y540 K544 T548 E549Y540-L546 WeakPolarHBondContact CD1-O 3.43Å; Y540-L546 WeakPolarHBondContact CE1-O 3.34Å; K544-L546 HydrophobicContact CB-CG 4.1Å; K544-L546 PolarHBondContact O-N 3.17Å; K544-L546 VanDerWaalsContact O-N 3.12Å; L546-T548 PolarHBondContact O-N 2.92Å; L546-T548 VanDerWaalsContact O-N 3.16Å; L546-E549 HydrophobicContact CB-CB 4.19Å; L546-E549 HydrophobicContact CB-CG 4.1Å; L546-E549 HydrophobicContact CD1-CG 4.4Å; L546-E549 WeakPolarHBondContact O-CA 3.16Å; L546-E549 PolarHBondContact O-N 3.21Å
547P77.8Confident80.7Confident82 Ų8237 Ų3753%0.53220%0.195SC..G310 helixtrans-54.8-35.6178.5-27.734.8000113.8E549 Q550 V688P547-E549 PolarHBondContact O-N 3Å; P547-Q550 PolarHBondContact O-N 3.49Å; P547-V688 HydrophobicContact CB-CG1 4.13Å; P547-V688 HydrophobicContact CB-CG2 4.45Å; P547-V688 HydrophobicContact CG-CG1 4Å
548T70.1Confident80.5Confident94 Ų9437.1 Ų37.158%0.57720%0.195SC*.G310 helixtrans-75.7-4.4177.156.40000114.4L546L546-T548 PolarHBondContact O-N 2.92Å; L546-T548 VanDerWaalsContact O-N 3.16Å
549E72.6Confident80.3Confident24 Ų2437.7 Ų37.711%0.11220%0.199CC..G310 helixtrans-112.616.2177.6-67.4-171.6167.100111.7R188 Y540 M541 S542 L546 P547R188-E549 IonicContact CZ-OE1 3.8Å; R188-E549 IonicContact NH1-OE1 3.76Å; R188-E549 PolarHBondContact NH1-OE1 3.12Å; Y540-E549 CarbonylContact C-O 3.56Å; Y540-E549 WeakPolarHBondContact CA-O 3.4Å; M541-E549 HydrophobicContact CB-CB 4.1Å; M541-E549 PolarHBondContact N-O 2.94Å; S542-E549 WeakPolarHBondContact CB-OE2 3.24Å; S542-E549 PolarHBondContact OG-OE2 3Å; L546-E549 HydrophobicContact CB-CB 4.19Å; L546-E549 HydrophobicContact CB-CG 4.1Å; L546-E549 HydrophobicContact CD1-CG 4.4Å; L546-E549 WeakPolarHBondContact O-CA 3.16Å; L546-E549 PolarHBondContact O-N 3.21Å; P547-E549 PolarHBondContact O-N 3Å
550Q82.3Confident80.2Confident34 Ų3437.7 Ų37.716%0.15920%0.199CC..BIsolated β-bridgetrans-69.6145.5177.9-159.7-173.4-79.700111.9A539 Y540 P547 G583 P584A539-Q550 CarbonylContact O-C 3.15Å; A539-Q550 WeakPolarHBondContact O-CA 3.22Å; A539-Q550 VanDerWaalsContact O-CG 3.23Å; A539-Q550 WeakPolarHBondContact O-CG 3.29Å; Y540-Q550 HydrophobicContact CD1-CB 4.2Å; Y540-Q550 HydrophobicContact CD1-CG 4.42Å; Y540-Q550 HydrophobicContact CE1-CB 4.13Å; Y540-Q550 HydrophobicContact CE1-CG 4.21Å; P547-Q550 PolarHBondContact O-N 3.49Å; Q550-G583 PolarHBondContact NE2-O 2.96Å; Q550-P584 VanDerWaalsContact NE2-C 3.29Å; Q550-P584 PolarHBondContact NE2-O 3.07Å
551L78.3Confident80Confident11 Ų1138 Ų386%0.05820%0.2CC..  trans-105.8130.4-178-63.2176000112.2A539 Y540 M541 V554 T582 L609 L614 R697A539-L551 HydrophobicContact CB-CB 4.12Å; A539-L551 PolarHBondContact O-N 3.37Å; Y540-L551 WeakPolarHBondContact O-CD1 3.38Å; M541-L551 HydrophobicContact CB-CD2 4.29Å; M541-L551 HydrophobicContact CE-CD2 3.57Å; M541-L551 HydrophobicContact SD-CD2 3.91Å; L551-V554 HydrophobicContact CB-CG2 3.68Å; L551-V554 HydrophobicContact CD1-CG2 4.43Å; L551-T582 WeakPolarHBondContact O-CB 3.38Å; L551-T582 PolarHBondContact O-OG1 2.61Å; L551-L609 HydrophobicContact CD1-CD2 4.37Å; L551-L614 HydrophobicContact CD1-CD2 4.12Å; L551-R697 HydrophobicContact CD1-CB 3.96Å
552E79.8Confident79.8Confident59 Ų5935.3 Ų35.328%0.27619%0.187SC..SBendtrans-102.8156.8172.1-53.2175.3135.500111.2V554 T582 P584 N713 R866E552-V554 VanDerWaalsContact C-N 3.27Å; E552-V554 PolarHBondContact O-N 2.83Å; E552-T582 CarbonylContact C-O 3.38Å; E552-T582 VanDerWaalsContact CA-O 3.26Å; E552-T582 WeakPolarHBondContact CA-O 3.28Å; E552-T582 WeakPolarHBondContact CA-OG1 3.46Å; E552-P584 WeakPolarHBondContact OE1-CA 3.29Å; E552-P584 WeakPolarHBondContact OE1-CB 3.44Å; E552-P584 WeakPolarHBondContact OE1-CD 3.22Å; E552-N713 PolarHBondContact OE2-ND2 2.91Å; E552-R866 PolarHBondContact O-NH1 2.82Å; E552-R866 PolarHBondContact O-NH2 2.87Å
553G71.8Confident79.1Confident12 Ų1235.5 Ų35.512%0.12419%0.187CC..SBendtrans73.313.7-178.600000114.3T582 L609G553-T582 PolarHBondContact N-O 3.05Å; G553-T582 PolarHBondContact N-OG1 2.69Å; G553-L609 WeakPolarHBondContact O-CD1 3.44Å
554V77.4Confident77.6Confident0 Ų031.2 Ų31.20%017%0.167CC..  trans-78.8124.6172.9-1740000108.3A539 L551 E552 I556 L581 T582 A607 L609 L614A539-V554 HydrophobicContact CB-CB 4.14Å; A539-V554 HydrophobicContact CB-CG1 4.19Å; A539-V554 HydrophobicContact CB-CG2 3.76Å; L551-V554 HydrophobicContact CB-CG2 3.68Å; L551-V554 HydrophobicContact CD1-CG2 4.43Å; E552-V554 VanDerWaalsContact C-N 3.27Å; E552-V554 PolarHBondContact O-N 2.83Å; V554-I556 HydrophobicContact CB-CD1 4.34Å; V554-I556 HydrophobicContact CG1-CD1 3.78Å; V554-I556 PolarHBondContact O-N 2.88Å; V554-L581 CarbonylContact O-C 3.56Å; V554-L581 WeakPolarHBondContact O-CA 3.33Å; V554-T582 HydrophobicContact CB-CG2 4.05Å; V554-T582 WeakPolarHBondContact CB-OG1 3.25Å; V554-T582 PolarHBondContact N-OG1 3.05Å; V554-T582 PolarHBondContact O-N 2.7Å; V554-A607 HydrophobicContact CG1-CB 4.02Å; V554-L609 HydrophobicContact CG1-CB 4.33Å; V554-L609 HydrophobicContact CG2-CB 4.19Å; V554-L609 HydrophobicContact CG2-CD1 4.05Å; V554-L609 HydrophobicContact CG2-CD2 4.18Å; V554-L609 HydrophobicContact CG2-CG 4.35Å; V554-L614 HydrophobicContact CG1-CD1 4.26Å; V554-L614 HydrophobicContact CG1-CD2 4.14Å; V554-L614 HydrophobicContact CG2-CD2 4.48Å
555V79.3Confident76.1Confident16 Ų1630.6 Ų30.610%0.09718%0.175CC..EExtended strand (participates in β ladder)trans-76.2100.7172.1-178.20000107.6I340 L581 A607 I608I340-V555 HydrophobicContact CG2-CG2 3.98Å; V555-L581 HydrophobicContact CG2-CD2 3.64Å; V555-A607 WeakPolarHBondContact O-CA 3.43Å; V555-I608 PolarHBondContact N-O 2.86Å; V555-I608 PolarHBondContact O-N 2.78Å
556I86.8Confident74.6Confident0 Ų033.6 Ų33.60%021%0.211CC..EExtended strand (participates in β ladder)trans-82.3136.3165.8-45.4-60.1000107V537 V554 S579 V580 T582 A587 L589 V605 T606 A607 F695V537-I556 HydrophobicContact CB-CG1 4.48Å; V537-I556 HydrophobicContact CB-CG2 4.22Å; V537-I556 HydrophobicContact CG1-CD1 4.08Å; V537-I556 HydrophobicContact CG1-CG1 4.23Å; V537-I556 HydrophobicContact CG1-CG2 4.03Å; V537-I556 HydrophobicContact CG2-CG2 4.26Å; V554-I556 HydrophobicContact CB-CD1 4.34Å; V554-I556 HydrophobicContact CG1-CD1 3.78Å; V554-I556 PolarHBondContact O-N 2.88Å; I556-S579 CarbonylContact O-C 3.37Å; I556-S579 WeakPolarHBondContact O-CA 3.28Å; I556-V580 PolarHBondContact N-O 3.15Å; I556-V580 PolarHBondContact O-N 3.03Å; I556-T582 HydrophobicContact CD1-CG2 3.97Å; I556-T582 HydrophobicContact CG1-CG2 3.76Å; I556-A587 HydrophobicContact CG1-CB 3.97Å; I556-L589 HydrophobicContact CB-CD1 3.91Å; I556-L589 HydrophobicContact CB-CD2 3.88Å; I556-L589 HydrophobicContact CB-CG 4.43Å; I556-L589 HydrophobicContact CG2-CD1 3.56Å; I556-L589 HydrophobicContact CG2-CD2 3.68Å; I556-L589 HydrophobicContact CG2-CG 4.27Å; I556-L589 WeakPolarHBondContact O-CD2 3.13Å; I556-V605 HydrophobicContact CG2-CG1 3.71Å; I556-T606 WeakPolarHBondContact CA-O 3.44Å; I556-T606 WeakPolarHBondContact CG2-O 3.22Å; I556-A607 HydrophobicContact CD1-CB 3.54Å; I556-F695 HydrophobicContact CD1-CD2 4.35Å
557S86.9Confident72.9Confident11 Ų1136.7 Ų36.78%0.07722%0.219CC..EExtended strand (participates in β ladder)trans-123139.5173.2-48.80000109.9D578 V605 T606S557-D578 CarbonylContact C-O 3.54Å; S557-D578 WeakPolarHBondContact CA-O 3.44Å; S557-V605 WeakPolarHBondContact O-CA 2.98Å; S557-V605 WeakPolarHBondContact O-CG1 3.34Å; S557-T606 PolarHBondContact N-O 3.33Å; S557-T606 PolarHBondContact O-N 2.87Å
558L90.6Very high70.9Confident1 Ų137.7 Ų37.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-124.1129.6177.8-178.3151.9000109.1V535 D578 L589 A591 A603 V605V535-L558 HydrophobicContact CB-CD1 4.05Å; V535-L558 HydrophobicContact CG2-CD1 3.77Å; L558-D578 PolarHBondContact N-O 3.48Å; L558-D578 PolarHBondContact O-N 3.13Å; L558-L589 HydrophobicContact CB-CB 4.18Å; L558-L589 HydrophobicContact CB-CD2 3.78Å; L558-L589 HydrophobicContact CD1-CB 4.16Å; L558-A591 HydrophobicContact CD1-CB 3.94Å; L558-A591 HydrophobicContact CD2-CB 3.71Å; L558-A603 HydrophobicContact CD1-CB 3.9Å; L558-A603 HydrophobicContact CD2-CB 4.17Å; L558-A603 HydrophobicContact CG-CB 3.87Å; L558-V605 HydrophobicContact CD1-CG2 4.11Å; L558-V605 HydrophobicContact CG-CG2 4.2Å
559I88.8Confident69.3Low14 Ų1437.7 Ų37.77%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-112.6115.7174.9-41.7-170.6000107.8I408 A411 L561 W574 R576 F577 A603 Y604I408-I559 HydrophobicContact CD1-CD1 4.35Å; I408-I559 HydrophobicContact CG1-CD1 4.05Å; A411-I559 HydrophobicContact CB-CD1 4.1Å; A411-I559 HydrophobicContact CB-CG2 4.32Å; I559-L561 HydrophobicContact CG2-CD2 3.85Å; I559-W574 HydrophobicContact CG2-CB 3.57Å; I559-W574 HydrophobicContact CG2-CG 4.27Å; I559-R576 WeakPolarHBondContact CA-O 2.93Å; I559-F577 HydrophobicContact CD1-CD2 4.19Å; I559-F577 HydrophobicContact CD1-CE2 4.48Å; I559-F577 HydrophobicContact CG1-CD2 3.87Å; I559-F577 HydrophobicContact CG1-CE2 4.3Å; I559-A603 WeakPolarHBondContact O-CA 3.43Å; I559-Y604 HydrophobicContact CD1-CD1 4.22Å; I559-Y604 PolarHBondContact N-O 2.93Å; I559-Y604 PolarHBondContact O-N 2.96Å
560N88.7Confident67.7Low0 Ų041.3 Ų41.30%025%0.252CS..EExtended strand (participates in β ladder)trans-75.6126.2169.8-89.4118.2000109.4W574 G575 R576 A591 F592 L659N560-W574 CarbonylContact O-C 3.11Å; N560-W574 WeakPolarHBondContact O-CA 3.47Å; N560-G575 PolarHBondContact O-N 3.23Å; N560-R576 HydrophobicContact CB-CB 4.15Å; N560-R576 PolarHBondContact N-O 2.84Å; N560-A591 WeakPolarHBondContact OD1-CA 3.34Å; N560-F592 HydrophobicContact CB-CD2 4.32Å; N560-F592 PolarHBondContact ND2-N 3.15Å; N560-F592 PolarHBondContact ND2-O 3.46Å; N560-F592 VanDerWaalsContact ND2-O 3.08Å; N560-F592 PolarHBondContact OD1-N 2.9Å; N560-L659 VanDerWaalsContact ND2-CD1 3.26Å; N560-L659 WeakPolarHBondContact ND2-CD1 3.5Å
561L82.3Confident66.3Low6 Ų640.8 Ų40.83%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-116.4152.8-177.7-60.4-177.9000111.5I408 I559 P571 W574 T602I408-L561 HydrophobicContact CD1-CD1 4.01Å; I408-L561 HydrophobicContact CD1-CD2 3.84Å; I408-L561 HydrophobicContact CG1-CD2 4.19Å; I559-L561 HydrophobicContact CG2-CD2 3.85Å; L561-P571 HydrophobicContact CB-CB 4.09Å; L561-P571 HydrophobicContact CD1-CB 4.35Å; L561-P571 HydrophobicContact CD1-CG 3.95Å; L561-W574 HydrophobicContact CD2-CB 3.64Å; L561-T602 WeakPolarHBondContact CB-OG1 3.44Å; L561-T602 PolarHBondContact N-O 3.27Å; L561-T602 PolarHBondContact O-N 3.34Å
562E69.2Low65.4Low18 Ų1847.1 Ų47.18%0.08428%0.275CS..  trans-67.1147.9178.7-81.8-161.3158.300114.3R431 Y433 P571 A573R431-E562 IonicContact CZ-OE1 3Å; R431-E562 VanDerWaalsContact NH2-CD 3.34Å; R431-E562 IonicContact NH2-OE1 3.14Å; R431-E562 PolarHBondContact NH2-OE1 2.87Å; Y433-E562 WeakPolarHBondContact CE1-OE1 3.49Å; E562-P571 WeakPolarHBondContact O-CB 3.34Å; E562-A573 HydrophobicContact CB-CB 4.42Å; E562-A573 HydrophobicContact CG-CB 3.98Å; E562-A573 PolarHBondContact N-O 3.02Å
563P59.4Low65Low23 Ų2344.9 Ų44.915%0.14927%0.266CS..  trans-67.6146.9171.730.7-34.6000110.4P565 D599 A600P563-P565 WeakPolarHBondContact O-CD 3.41Å; P563-D599 WeakPolarHBondContact CB-O 3.47Å; P563-A600 VanDerWaalsContact CD-O 3.29Å; P563-A600 WeakPolarHBondContact CD-O 3.5Å; P563-A600 WeakPolarHBondContact CG-O 3.49Å
564K47.9Very low65.4Low48 Ų4844.3 Ų44.321%0.20926%0.26CS..  trans-77.8112.1176-74.1172.1179.1166.70110.5G566 Y567K564-G566 PolarHBondContact O-N 2.96Å; K564-Y567 HydrophobicContact CB-CD1 4.48Å; K564-Y567 HydrophobicContact CB-CD2 3.88Å; K564-Y567 HydrophobicContact CB-CE2 3.92Å; K564-Y567 HydrophobicContact CB-CG 4.17Å; K564-Y567 HydrophobicContact CD-CD1 3.65Å; K564-Y567 HydrophobicContact CD-CE1 3.65Å; K564-Y567 HydrophobicContact CD-CE2 4.5Å; K564-Y567 HydrophobicContact CD-CG 4.1Å
565P45.7Very low65.5Low104 Ų10444.3 Ų44.368%0.67526%0.26SS*.SBendtrans-73.4116.3170.5-9.228.5000108.6P563 Y567P563-P565 WeakPolarHBondContact O-CD 3.41Å; P565-Y567 PolarHBondContact O-N 2.88Å; P565-Y567 VanDerWaalsContact O-N 3.1Å
566G52.4Low65.8Low83 Ų8343.8 Ų43.886%0.85626%0.257SS*.SBendtrans70.52.9171.800000117.5K564K564-G566 PolarHBondContact O-N 2.96Å
567Y42.7Very low65.6Low130 Ų13045.7 Ų45.751%0.5127%0.265SS..  trans52.595.6172.9-82.8-108.6000117.9K564 P565K564-Y567 HydrophobicContact CB-CD1 4.48Å; K564-Y567 HydrophobicContact CB-CD2 3.88Å; K564-Y567 HydrophobicContact CB-CE2 3.92Å; K564-Y567 HydrophobicContact CB-CG 4.17Å; K564-Y567 HydrophobicContact CD-CD1 3.65Å; K564-Y567 HydrophobicContact CD-CE1 3.65Å; K564-Y567 HydrophobicContact CD-CE2 4.5Å; K564-Y567 HydrophobicContact CD-CG 4.1Å; P565-Y567 PolarHBondContact O-N 2.88Å; P565-Y567 VanDerWaalsContact O-N 3.1Å
568S35.5Very low65.3Low104 Ų10445.7 Ų45.773%0.72726%0.264SS*.SBend-143.3117.813056.70000112.3N570S568-N570 PolarHBondContact O-N 2.94Å
569S36.3Very low64.8Low93 Ų9347.9 Ų47.965%0.6528%0.279SS*.SBendtrans37.151.6154.661.40000120.4
570N40Very low64.4Low101 Ų10149.4 Ų49.454%0.5429%0.289SS..  176.8147.6115.8-95.7-21.8000113.1S568 R572S568-N570 PolarHBondContact O-N 2.94Å; N570-R572 PolarHBondContact O-N 2.84Å
571P53.2Low64Low22 Ų2250.2 Ų50.214%0.14329%0.294CS..  trans-69.9109.715631.7-29.2000107.8L561 E562L561-P571 HydrophobicContact CB-CB 4.09Å; L561-P571 HydrophobicContact CD1-CB 4.35Å; L561-P571 HydrophobicContact CD1-CG 3.95Å; E562-P571 WeakPolarHBondContact O-CB 3.34Å
572R59.3Low63.9Low144 Ų14450.1 Ų50.154%0.54329%0.293SS..  trans-82.3-52.5-178.1-62.9-170.2-171.7-175.34111.5E371 R406 N570E371-R572 WeakPolarHBondContact OE1-CD 3.3Å; E371-R572 IonicContact OE1-CZ 3.2Å; E371-R572 IonicContact OE1-NE 3.69Å; E371-R572 IonicContact OE1-NH1 3.34Å; E371-R572 PolarHBondContact OE1-NH1 2.86Å; R406-R572 CarbonylContact C-O 3.57Å; R406-R572 VanDerWaalsContact C-O 3.23Å; R406-R572 WeakPolarHBondContact CA-O 3.27Å; R406-R572 HydrophobicContact CB-CB 4.4Å; R406-R572 VanDerWaalsContact O-O 3.06Å; N570-R572 PolarHBondContact O-N 2.84Å
573A70.9Confident64.2Low12 Ų1249.7 Ų49.710%0.09929%0.294CS..  trans-83131.1-175.400000113.3P405 E562P405-A573 CarbonylContact O-C 3.55Å; P405-A573 VanDerWaalsContact O-CA 3.29Å; P405-A573 WeakPolarHBondContact O-CA 3.41Å; E562-A573 HydrophobicContact CB-CB 4.42Å; E562-A573 HydrophobicContact CG-CB 3.98Å; E562-A573 PolarHBondContact N-O 3.02Å
574W81Confident65Low0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-86.6144.6157.168.6-90.7000110.1P405 T410 A411 A414 L418 T432 M435 I559 N560 L561 F577P405-W574 HydrophobicContact CB-CD2 4.4Å; P405-W574 HydrophobicContact CB-CG 4.35Å; P405-W574 WeakPolarHBondContact CB-O 3.37Å; P405-W574 PolarHBondContact O-N 2.83Å; T410-W574 PolarHBondContact OG1-NE1 2.96Å; A411-W574 HydrophobicContact CB-CD2 3.67Å; A411-W574 HydrophobicContact CB-CE3 4.15Å; A411-W574 HydrophobicContact CB-CG 3.94Å; A411-W574 HydrophobicContact CB-CZ2 4.16Å; A414-W574 HydrophobicContact CB-CH2 3.59Å; A414-W574 HydrophobicContact CB-CZ2 4.12Å; A414-W574 HydrophobicContact CB-CZ3 4.46Å; L418-W574 HydrophobicContact CD1-CH2 4.39Å; L418-W574 HydrophobicContact CD1-CZ3 3.81Å; T432-W574 HydrophobicContact CG2-CE3 4.22Å; T432-W574 HydrophobicContact CG2-CH2 3.9Å; T432-W574 HydrophobicContact CG2-CZ3 3.72Å; M435-W574 HydrophobicContact CE-CH2 3.53Å; M435-W574 HydrophobicContact CE-CZ2 3.75Å; I559-W574 HydrophobicContact CG2-CB 3.57Å; I559-W574 HydrophobicContact CG2-CG 4.27Å; N560-W574 CarbonylContact O-C 3.11Å; N560-W574 WeakPolarHBondContact O-CA 3.47Å; L561-W574 HydrophobicContact CD2-CB 3.64Å; W574-F577 HydrophobicContact CZ3-CB 4.32Å
575G78.6Confident66.7Low0 Ų051.8 Ų51.80%031%0.31CS..EExtended strand (participates in β ladder)trans-119.9-16-177.600000114.6R431 T432 N560R431-G575 WeakPolarHBondContact CA-O 3.48Å; T432-G575 PolarHBondContact N-O 3.02Å; N560-G575 PolarHBondContact O-N 3.23Å
576R85.1Confident68.7Low6 Ų647.3 Ų47.32%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-159.3149.4172.5179.6168.6-175.974.223.3110.7D417 L418 N419 P429 L430 I559 N560 D578 F592D417-R576 PolarHBondContact O-NH1 2.83Å; D417-R576 PolarHBondContact O-NH2 3.15Å; L418-R576 PolarHBondContact O-NH1 2.85Å; N419-R576 PolarHBondContact OD1-NH1 3.13Å; N419-R576 PolarHBondContact OD1-NH2 3.03Å; P429-R576 VanDerWaalsContact CB-CZ 3.48Å; L430-R576 PolarHBondContact O-NH1 2.72Å; I559-R576 WeakPolarHBondContact CA-O 2.93Å; N560-R576 HydrophobicContact CB-CB 4.15Å; N560-R576 PolarHBondContact N-O 2.84Å; R576-D578 IonicContact CZ-OD1 3.87Å; R576-D578 IonicContact CZ-OD2 3.91Å; R576-D578 IonicContact NE-OD2 3.96Å; R576-D578 PolarHBondContact NE-OD2 2.77Å; R576-D578 VanDerWaalsContact NH2-CG 3.3Å; R576-D578 IonicContact NH2-OD1 2.76Å; R576-D578 PolarHBondContact NH2-OD1 2.72Å; R576-D578 IonicContact NH2-OD2 3.47Å; R576-D578 PolarHBondContact NH2-OD2 3.02Å; R576-F592 HydrophobicContact CB-CD2 4.03Å; R576-F592 HydrophobicContact CB-CE2 3.55Å; R576-F592 HydrophobicContact CB-CZ 4.26Å; R576-F592 VanDerWaalsContact CD-CZ 3.49Å; R576-F592 HydrophobicContact CG-CE2 4.22Å; R576-F592 HydrophobicContact CG-CZ 4.48Å
577F82.7Confident70.5Confident40 Ų4043.4 Ų43.418%0.17524%0.242CC..EExtended strand (participates in β ladder)trans-128.4132.8171.9175.5-79.5000108.6A411 I559 W574A411-F577 HydrophobicContact CB-CD2 4.17Å; I559-F577 HydrophobicContact CD1-CD2 4.19Å; I559-F577 HydrophobicContact CD1-CE2 4.48Å; I559-F577 HydrophobicContact CG1-CD2 3.87Å; I559-F577 HydrophobicContact CG1-CE2 4.3Å; W574-F577 HydrophobicContact CZ3-CB 4.32Å
578D81.1Confident72.8Confident11 Ų1137.8 Ų37.86%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-136.8154.9169.4-82.5-63000110.8S557 L558 R576 P590S557-D578 CarbonylContact C-O 3.54Å; S557-D578 WeakPolarHBondContact CA-O 3.44Å; L558-D578 PolarHBondContact N-O 3.48Å; L558-D578 PolarHBondContact O-N 3.13Å; R576-D578 IonicContact CZ-OD1 3.87Å; R576-D578 IonicContact CZ-OD2 3.91Å; R576-D578 IonicContact NE-OD2 3.96Å; R576-D578 PolarHBondContact NE-OD2 2.77Å; R576-D578 VanDerWaalsContact NH2-CG 3.3Å; R576-D578 IonicContact NH2-OD1 2.76Å; R576-D578 PolarHBondContact NH2-OD1 2.72Å; R576-D578 IonicContact NH2-OD2 3.47Å; R576-D578 PolarHBondContact NH2-OD2 3.02Å; D578-P590 HydrophobicContact CB-CG 4.02Å; D578-P590 WeakPolarHBondContact OD2-CG 3.5Å
579S80.1Confident75.4Confident46 Ų4632.8 Ų32.832%0.32219%0.187SC..EExtended strand (participates in β ladder)trans-139.7134.5173.165.20000112.1I556I556-S579 CarbonylContact O-C 3.37Å; I556-S579 WeakPolarHBondContact O-CA 3.28Å
580V79.8Confident77.9Confident46 Ų4629.9 Ų29.928%0.27917%0.166SC..EExtended strand (participates in β ladder)trans-134.5140.5-175.5-175.20000109.9I556 A587 L589I556-V580 PolarHBondContact N-O 3.15Å; I556-V580 PolarHBondContact O-N 3.03Å; V580-A587 HydrophobicContact CB-CB 4.34Å; V580-A587 HydrophobicContact CG1-CB 4.12Å; V580-L589 HydrophobicContact CB-CD2 4.42Å; V580-L589 HydrophobicContact CB-CG 4.1Å; V580-L589 HydrophobicContact CG2-CD2 4.4Å; V580-L589 HydrophobicContact CG2-CG 4.05Å
581L80.3Confident80.3Confident17 Ų1725.2 Ų25.29%0.08914%0.141CC..EExtended strand (participates in β ladder)trans-79.9142176.7-70.5159.6000111.1I340 V554 V555 G583I340-L581 HydrophobicContact CD1-CD1 3.75Å; I340-L581 HydrophobicContact CG1-CD1 3.8Å; I340-L581 HydrophobicContact CG1-CD2 4.01Å; I340-L581 HydrophobicContact CG2-CD2 4Å; V554-L581 CarbonylContact O-C 3.56Å; V554-L581 WeakPolarHBondContact O-CA 3.33Å; V555-L581 HydrophobicContact CG2-CD2 3.64Å; L581-G583 PolarHBondContact O-N 3.16Å
582T81.9Confident82Confident4 Ų424.2 Ų24.23%0.02514%0.135CC..  trans-73124.2171.454.20000111.6A539 L551 E552 G553 V554 I556 A587A539-T582 HydrophobicContact CB-CG2 4.39Å; L551-T582 WeakPolarHBondContact O-CB 3.38Å; L551-T582 PolarHBondContact O-OG1 2.61Å; E552-T582 CarbonylContact C-O 3.38Å; E552-T582 VanDerWaalsContact CA-O 3.26Å; E552-T582 WeakPolarHBondContact CA-O 3.28Å; E552-T582 WeakPolarHBondContact CA-OG1 3.46Å; G553-T582 PolarHBondContact N-O 3.05Å; G553-T582 PolarHBondContact N-OG1 2.69Å; V554-T582 HydrophobicContact CB-CG2 4.05Å; V554-T582 WeakPolarHBondContact CB-OG1 3.25Å; V554-T582 PolarHBondContact N-OG1 3.05Å; V554-T582 PolarHBondContact O-N 2.7Å; I556-T582 HydrophobicContact CD1-CG2 3.97Å; I556-T582 HydrophobicContact CG1-CG2 3.76Å; T582-A587 HydrophobicContact CG2-CB 3.99Å
583G75.3Confident83.3Confident10 Ų1017.4 Ų17.410%0.10311%0.109CC..BIsolated β-bridgetrans-93.8-167.5165.600000112.4Q550 L581 N585 G586Q550-G583 PolarHBondContact NE2-O 2.96Å; L581-G583 PolarHBondContact O-N 3.16Å; G583-N585 PolarHBondContact O-N 3.4Å; G583-N585 VanDerWaalsContact O-N 3.11Å; G583-G586 PolarHBondContact N-O 3.12Å; G583-G586 PolarHBondContact O-N 3.39Å
584P74.4Confident83.9Confident63 Ų6317.8 Ų17.841%0.40911%0.109SC..THydrogen-bonded Turntrans-61.9-21.5-17922.2-33.9000113.8Q550 E552Q550-P584 VanDerWaalsContact NE2-C 3.29Å; Q550-P584 PolarHBondContact NE2-O 3.07Å; E552-P584 WeakPolarHBondContact OE1-CA 3.29Å; E552-P584 WeakPolarHBondContact OE1-CB 3.44Å; E552-P584 WeakPolarHBondContact OE1-CD 3.22Å
585N85.3Confident83.6Confident51 Ų5121.5 Ų21.527%0.27314%0.14SC..THydrogen-bonded Turntrans-102.610.7173.4-70.8-27.8000113.7K536 R538 G583 E684K536-N585 WeakPolarHBondContact CE-O 3.36Å; K536-N585 PolarHBondContact NZ-O 2.81Å; R538-N585 VanDerWaalsContact CZ-O 3.28Å; R538-N585 PolarHBondContact NH1-O 3.25Å; G583-N585 PolarHBondContact O-N 3.4Å; G583-N585 VanDerWaalsContact O-N 3.11Å; N585-E684 WeakPolarHBondContact CB-O 3.35Å; N585-E684 PolarHBondContact ND2-O 2.7Å; N585-E684 VanDerWaalsContact ND2-O 3.12Å
586G87.3Confident83.3Confident10 Ų1029.8 Ų29.810%0.10318%0.181CC..BIsolated β-bridgetrans87.6-159.6-170.500000113.1V537 G583V537-G586 WeakPolarHBondContact O-CA 3.4Å; G583-G586 PolarHBondContact N-O 3.12Å; G583-G586 PolarHBondContact O-N 3.39Å
587A89.3Confident82.8Confident2 Ų235.2 Ų35.22%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-113.6153.3178.700000111.6V537 I556 V580 T582 L589V537-A587 PolarHBondContact N-O 2.04Å; V537-A587 PolarHBondContact O-N 2.85Å; I556-A587 HydrophobicContact CG1-CB 3.97Å; V580-A587 HydrophobicContact CB-CB 4.34Å; V580-A587 HydrophobicContact CG1-CB 4.12Å; T582-A587 HydrophobicContact CG2-CB 3.99Å; A587-L589 HydrophobicContact CB-CD1 4.02Å
588C91.1Very high82.3Confident11 Ų1135.5 Ų35.57%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-124100.5173.4-75.90000108.6K536 L680 C683 E684K536-C588 VanDerWaalsContact CD-SG 3.53Å; C588-L680 HydrophobicContact CB-CD1 4.37Å; C588-C683 HydrophobicContact CB-CB 4.04Å; C588-C683 WeakPolarHBondContact CB-SG 3.45Å; C588-C683 WeakPolarHBondContact SG-CB 3.35Å; C588-C683 PolarHBondContact SG-O 2.67Å; C588-C683 CovalentContact SG-SG 2.04Å; C588-C683 PolarHBondContact SG-SG 2.9Å; C588-E684 PolarHBondContact SG-N 3.42Å; C588-E684 VanDerWaalsContact SG-N 3.43Å
589L90.5Very high81.8Confident0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-91.3122.8-173.3-65.799.7000110.4Y534 V535 V537 I556 L558 V580 A587Y534-L589 CarbonylContact C-O 3.5Å; Y534-L589 VanDerWaalsContact CA-O 3.27Å; Y534-L589 WeakPolarHBondContact CA-O 3.44Å; V535-L589 PolarHBondContact N-O 3.45Å; V535-L589 PolarHBondContact O-N 2.78Å; V537-L589 HydrophobicContact CB-CD1 4.03Å; V537-L589 HydrophobicContact CG2-CD1 3.65Å; I556-L589 HydrophobicContact CB-CD1 3.91Å; I556-L589 HydrophobicContact CB-CD2 3.88Å; I556-L589 HydrophobicContact CB-CG 4.43Å; I556-L589 HydrophobicContact CG2-CD1 3.56Å; I556-L589 HydrophobicContact CG2-CD2 3.68Å; I556-L589 HydrophobicContact CG2-CG 4.27Å; I556-L589 WeakPolarHBondContact O-CD2 3.13Å; L558-L589 HydrophobicContact CB-CB 4.18Å; L558-L589 HydrophobicContact CB-CD2 3.78Å; L558-L589 HydrophobicContact CD1-CB 4.16Å; V580-L589 HydrophobicContact CB-CD2 4.42Å; V580-L589 HydrophobicContact CB-CG 4.1Å; V580-L589 HydrophobicContact CG2-CD2 4.4Å; V580-L589 HydrophobicContact CG2-CG 4.05Å; A587-L589 HydrophobicContact CB-CD1 4.02Å
590P88.6Confident81.5Confident32 Ų3235.3 Ų35.321%0.20820%0.203CC..EExtended strand (participates in β ladder)trans-60.8141.6171.226.3-33000110.1C533 Y534 D578C533-P590 WeakPolarHBondContact O-CA 3.29Å; Y534-P590 HydrophobicContact CD1-CB 4.15Å; Y534-P590 HydrophobicContact CE1-CB 3.93Å; D578-P590 HydrophobicContact CB-CG 4.02Å; D578-P590 WeakPolarHBondContact OD2-CG 3.5Å
591A90.4Very high81.5Confident3 Ų333.2 Ų33.23%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-153.5155.5178.300000111.5R532 C533 V535 L558 N560 L659R532-A591 WeakPolarHBondContact CA-O 3.34Å; C533-A591 PolarHBondContact N-O 3.25Å; C533-A591 PolarHBondContact O-N 2.88Å; V535-A591 HydrophobicContact CG2-CB 4.05Å; L558-A591 HydrophobicContact CD1-CB 3.94Å; L558-A591 HydrophobicContact CD2-CB 3.71Å; N560-A591 WeakPolarHBondContact OD1-CA 3.34Å; A591-L659 HydrophobicContact CB-CD1 3.77Å
592F88.4Confident81.8Confident1 Ų133 Ų330%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-81.4138.4167.7-57.6-42.4000112.1P429 L430 R431 E529 R531 R532 N560 R576 Y601 L659P429-F592 HydrophobicContact CB-CE1 3.95Å; P429-F592 HydrophobicContact CB-CZ 4.07Å; P429-F592 HydrophobicContact CG-CE1 3.95Å; L430-F592 WeakPolarHBondContact O-CZ 3.11Å; R431-F592 HydrophobicContact CB-CE2 3.64Å; R431-F592 HydrophobicContact CB-CZ 4.04Å; R431-F592 HydrophobicContact CG-CE2 4.04Å; E529-F592 HydrophobicContact CB-CD1 4.11Å; E529-F592 HydrophobicContact CB-CE1 3.55Å; E529-F592 HydrophobicContact CB-CE2 4.27Å; E529-F592 HydrophobicContact CB-CZ 3.62Å; E529-F592 HydrophobicContact CG-CD1 3.4Å; E529-F592 HydrophobicContact CG-CD2 4.21Å; E529-F592 HydrophobicContact CG-CE1 3.39Å; E529-F592 HydrophobicContact CG-CE2 4.19Å; E529-F592 HydrophobicContact CG-CG 3.82Å; E529-F592 HydrophobicContact CG-CZ 3.79Å; R531-F592 CarbonylContact O-C 3.59Å; R531-F592 WeakPolarHBondContact O-CA 3.4Å; R532-F592 HydrophobicContact CG-CD1 4.4Å; N560-F592 HydrophobicContact CB-CD2 4.32Å; N560-F592 PolarHBondContact ND2-N 3.15Å; N560-F592 PolarHBondContact ND2-O 3.46Å; N560-F592 VanDerWaalsContact ND2-O 3.08Å; N560-F592 PolarHBondContact OD1-N 2.9Å; R576-F592 HydrophobicContact CB-CD2 4.03Å; R576-F592 HydrophobicContact CB-CE2 3.55Å; R576-F592 HydrophobicContact CB-CZ 4.26Å; R576-F592 VanDerWaalsContact CD-CZ 3.49Å; R576-F592 HydrophobicContact CG-CE2 4.22Å; R576-F592 HydrophobicContact CG-CZ 4.48Å; F592-Y601 HydrophobicContact CB-CD1 3.52Å; F592-Y601 HydrophobicContact CB-CE1 3.43Å; F592-Y601 VanDerWaalsContact CB-CE1 3.43Å; F592-Y601 HydrophobicContact CB-CG 4.12Å; F592-Y601 HydrophobicContact CD2-CE1 4.37Å; F592-Y601 HydrophobicContact CG-CE1 4.23Å; F592-Y601 WeakPolarHBondContact O-CB 3.34Å; F592-L659 WeakPolarHBondContact O-CD1 3.41Å
593C87.4Confident82.1Confident1 Ų132.8 Ų32.81%0.00719%0.188CC..  trans-162.2144.5-173.356.10000113.5R531 C533 L659R531-C593 WeakPolarHBondContact CB-O 3.15Å; R531-C593 PolarHBondContact O-N 3.43Å; C533-C593 HydrophobicContact CB-CB 4.4Å; C533-C593 WeakPolarHBondContact CB-SG 2.92Å; C533-C593 PolarHBondContact N-SG 2.82Å; C533-C593 VanDerWaalsContact N-SG 3.36Å; C533-C593 WeakPolarHBondContact SG-CB 3.46Å; C533-C593 CovalentContact SG-SG 2.02Å; C533-C593 PolarHBondContact SG-SG 3.13Å; C593-L659 WeakPolarHBondContact CA-O 3.49Å; C593-L659 HydrophobicContact CB-CB 3.81Å; C593-L659 WeakPolarHBondContact CB-O 3.22Å
594D83.7Confident82.9Confident19 Ų1935.9 Ų35.910%0.10220%0.197CC..BIsolated β-bridgetrans-107.5155.3-173.4-164.3-91.6000112.4R531 M596 R597 A600 Y601 L659 K661R531-D594 IonicContact NH1-OD2 3.95Å; D594-M596 WeakPolarHBondContact OD1-CA 3.49Å; D594-M596 PolarHBondContact OD1-N 2.93Å; D594-R597 PolarHBondContact OD1-N 3.03Å; D594-A600 HydrophobicContact CB-CB 3.77Å; D594-Y601 HydrophobicContact CB-CD2 4.07Å; D594-Y601 HydrophobicContact CB-CE2 4.03Å; D594-L659 PolarHBondContact N-O 2.88Å; D594-K661 VanDerWaalsContact O-CB 3.26Å; D594-K661 WeakPolarHBondContact O-CB 3.44Å; D594-K661 PolarHBondContact O-N 3.35Å
595A75.6Confident83.7Confident78 Ų7832.9 Ų32.965%0.64518%0.178SC*.SBendtrans-99.2-19.2-178.400000114.2K661A595-K661 HydrophobicContact CB-CB 4.35Å; A595-K661 HydrophobicContact CB-CD 4.12Å
596M71.9Confident84Confident174 Ų17431.9 Ų31.986%0.85717%0.174SC*.SBendtrans-105.1-34.5-177.4-64-177.966.900112.3D594D594-M596 WeakPolarHBondContact OD1-CA 3.49Å; D594-M596 PolarHBondContact OD1-N 2.93Å
597R74.9Confident84Confident121 Ų12131.4 Ų31.446%0.45717%0.169SC..  trans-122.7101.5-177.6-74.7-171.4-64.5155.3-0.3111.3D594 D599 A600D594-R597 PolarHBondContact OD1-N 3.03Å; R597-D599 PolarHBondContact O-N 2.88Å; R597-D599 VanDerWaalsContact O-N 3.13Å; R597-A600 HydrophobicContact CB-CB 3.72Å; R597-A600 WeakPolarHBondContact O-CB 3.43Å; R597-A600 PolarHBondContact O-N 2.97Å
598P70.2Confident83.3Confident45 Ų4534 Ų3429%0.29218%0.182SC..G310 helixtrans-49-37.6177.6-33.239.3000114.8K637 N658 L659 A660P598-K637 HydrophobicContact CB-CG 4.38Å; P598-K637 HydrophobicContact CG-CG 4.2Å; P598-N658 WeakPolarHBondContact O-CB 3.3Å; P598-L659 PolarHBondContact O-N 2.87Å; P598-A660 HydrophobicContact CB-CB 3.73Å; P598-A660 HydrophobicContact CG-CB 4.15Å
599D71.2Confident82.5Confident52 Ų5234 Ų3428%0.27818%0.181SC..G310 helixtrans-85.3-8.3-175.864.8-44.9000114.2P563 R597 Y601P563-D599 WeakPolarHBondContact CB-O 3.47Å; R597-D599 PolarHBondContact O-N 2.88Å; R597-D599 VanDerWaalsContact O-N 3.13Å; D599-Y601 PolarHBondContact O-N 2.92Å; D599-Y601 VanDerWaalsContact O-N 3.15Å
600A73.6Confident81Confident2 Ų234.7 Ų34.72%0.01719%0.188CC..G310 helixtrans-63.7-20.4-175.600000114.2P563 D594 R597P563-A600 VanDerWaalsContact CD-O 3.29Å; P563-A600 WeakPolarHBondContact CD-O 3.5Å; P563-A600 WeakPolarHBondContact CG-O 3.49Å; D594-A600 HydrophobicContact CB-CB 3.77Å; R597-A600 HydrophobicContact CB-CB 3.72Å; R597-A600 WeakPolarHBondContact O-CB 3.43Å; R597-A600 PolarHBondContact O-N 2.97Å
601Y79.8Confident79.4Confident1 Ų135 Ų350%0.00420%0.197CC..SBendtrans-135.7140.4165.4-60.3-92.2000108.9E529 R531 F592 D594 D599 L659E529-Y601 PolarHBondContact OE2-OH 3.38Å; R531-Y601 PolarHBondContact NE-OH 2.75Å; R531-Y601 PolarHBondContact NH2-OH 3.44Å; R531-Y601 VanDerWaalsContact NH2-OH 3.13Å; F592-Y601 HydrophobicContact CB-CD1 3.52Å; F592-Y601 HydrophobicContact CB-CE1 3.43Å; F592-Y601 VanDerWaalsContact CB-CE1 3.43Å; F592-Y601 HydrophobicContact CB-CG 4.12Å; F592-Y601 HydrophobicContact CD2-CE1 4.37Å; F592-Y601 HydrophobicContact CG-CE1 4.23Å; F592-Y601 WeakPolarHBondContact O-CB 3.34Å; D594-Y601 HydrophobicContact CB-CD2 4.07Å; D594-Y601 HydrophobicContact CB-CE2 4.03Å; D599-Y601 PolarHBondContact O-N 2.92Å; D599-Y601 VanDerWaalsContact O-N 3.15Å; Y601-L659 PolarHBondContact O-N 2.83Å
602T86.9Confident78.3Confident13 Ų1336.4 Ų36.48%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-116.2152.5166.263.30000109.7L561 I657 N658L561-T602 WeakPolarHBondContact CB-OG1 3.44Å; L561-T602 PolarHBondContact N-O 3.27Å; L561-T602 PolarHBondContact O-N 3.34Å; T602-I657 CarbonylContact C-O 3.59Å; T602-I657 WeakPolarHBondContact CA-O 3.3Å; T602-I657 WeakPolarHBondContact CB-O 3.41Å; T602-N658 VanDerWaalsContact CG2-OD1 3.3Å; T602-N658 WeakPolarHBondContact CG2-OD1 3.21Å
603A89.5Confident77.8Confident0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-114.4136.5171.500000110.1L558 I559 V605 R656 I657 L659L558-A603 HydrophobicContact CD1-CB 3.9Å; L558-A603 HydrophobicContact CD2-CB 4.17Å; L558-A603 HydrophobicContact CG-CB 3.87Å; I559-A603 WeakPolarHBondContact O-CA 3.43Å; A603-V605 HydrophobicContact CB-CG2 4.14Å; A603-R656 VanDerWaalsContact O-CA 3.29Å; A603-R656 WeakPolarHBondContact O-CA 3.33Å; A603-I657 HydrophobicContact CB-CD1 4.33Å; A603-I657 HydrophobicContact CB-CG1 3.88Å; A603-I657 PolarHBondContact N-O 3Å; A603-I657 PolarHBondContact O-N 2.88Å; A603-L659 HydrophobicContact CB-CD1 3.68Å; A603-L659 HydrophobicContact CB-CD2 4.01Å; A603-L659 HydrophobicContact CB-CG 3.91Å
604Y90.3Very high77.7Confident74 Ų7440 Ų4029%0.2922%0.22SC..EExtended strand (participates in β ladder)trans-105.4119.9162.7-176.3-100.8000108.2I408 I559 T606 A654 F655I408-Y604 HydrophobicContact CD1-CD1 4.08Å; I408-Y604 HydrophobicContact CD1-CG 4.21Å; I559-Y604 HydrophobicContact CD1-CD1 4.22Å; I559-Y604 PolarHBondContact N-O 2.93Å; I559-Y604 PolarHBondContact O-N 2.96Å; Y604-T606 HydrophobicContact CD1-CG2 4.15Å; Y604-T606 HydrophobicContact CE1-CG2 3.69Å; Y604-A654 HydrophobicContact CD2-CB 4.41Å; Y604-A654 HydrophobicContact CE1-CB 3.91Å; Y604-A654 HydrophobicContact CE2-CB 3.61Å; Y604-A654 VanDerWaalsContact OH-CB 3.26Å; Y604-A654 WeakPolarHBondContact OH-CB 3.21Å; Y604-F655 WeakPolarHBondContact CA-O 3.27Å
605V92.7Very high78Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-117.7135.1-171.6-170.50000109.9V537 I556 S557 L558 A603 A654 F655 F695V537-V605 HydrophobicContact CG2-CG1 4.48Å; I556-V605 HydrophobicContact CG2-CG1 3.71Å; S557-V605 WeakPolarHBondContact O-CA 2.98Å; S557-V605 WeakPolarHBondContact O-CG1 3.34Å; L558-V605 HydrophobicContact CD1-CG2 4.11Å; L558-V605 HydrophobicContact CG-CG2 4.2Å; A603-V605 HydrophobicContact CB-CG2 4.14Å; V605-A654 CarbonylContact O-C 3.57Å; V605-A654 WeakPolarHBondContact O-CA 3.34Å; V605-A654 WeakPolarHBondContact O-CB 3.45Å; V605-F655 HydrophobicContact CB-CD1 4.46Å; V605-F655 HydrophobicContact CB-CD2 4.11Å; V605-F655 HydrophobicContact CB-CE1 4.07Å; V605-F655 HydrophobicContact CB-CE2 3.67Å; V605-F655 HydrophobicContact CB-CG 4.49Å; V605-F655 HydrophobicContact CB-CZ 3.64Å; V605-F655 HydrophobicContact CG1-CE1 4.19Å; V605-F655 HydrophobicContact CG1-CE2 4.38Å; V605-F655 HydrophobicContact CG1-CZ 3.86Å; V605-F655 HydrophobicContact CG2-CD2 4.19Å; V605-F655 HydrophobicContact CG2-CE2 3.54Å; V605-F655 HydrophobicContact CG2-CZ 3.86Å; V605-F655 PolarHBondContact N-O 3.27Å; V605-F655 PolarHBondContact O-N 3.09Å; V605-F695 HydrophobicContact CG1-CE2 3.92Å; V605-F695 HydrophobicContact CG1-CZ 4.17Å
606T90.3Very high78.8Confident31 Ų3137.2 Ų37.219%0.1919%0.193CC..EExtended strand (participates in β ladder)trans-129160.7176.666.20000110.7I556 S557 Y604 A654I556-T606 WeakPolarHBondContact CA-O 3.44Å; I556-T606 WeakPolarHBondContact CG2-O 3.22Å; S557-T606 PolarHBondContact N-O 3.33Å; S557-T606 PolarHBondContact O-N 2.87Å; Y604-T606 HydrophobicContact CD1-CG2 4.15Å; Y604-T606 HydrophobicContact CE1-CG2 3.69Å; T606-A654 HydrophobicContact CG2-CB 3.88Å
607A88.5Confident79.7Confident0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-137.3128.5176.100000111.3V554 V555 I556 L614 F695V554-A607 HydrophobicContact CG1-CB 4.02Å; V555-A607 WeakPolarHBondContact O-CA 3.43Å; I556-A607 HydrophobicContact CD1-CB 3.54Å; A607-L614 HydrophobicContact CB-CB 4.11Å; A607-L614 PolarHBondContact O-N 2.89Å; A607-F695 HydrophobicContact CB-CB 3.99Å; A607-F695 HydrophobicContact CB-CD1 3.52Å; A607-F695 HydrophobicContact CB-CD2 3.6Å; A607-F695 HydrophobicContact CB-CE1 3.79Å; A607-F695 HydrophobicContact CB-CE2 3.85Å; A607-F695 HydrophobicContact CB-CG 3.42Å; A607-F695 VanDerWaalsContact CB-CG 3.42Å; A607-F695 HydrophobicContact CB-CZ 3.95Å
608I75.1Confident80.3Confident57 Ų5725.1 Ų25.129%0.29214%0.143SC..EExtended strand (participates in β ladder)trans-129.2134.1-176.9-58177.5000109.9V555 E612 E613V555-I608 PolarHBondContact N-O 2.86Å; V555-I608 PolarHBondContact O-N 2.78Å; I608-E612 CarbonylContact C-O 3.6Å; I608-E612 VanDerWaalsContact CA-O 3.3Å; I608-E612 WeakPolarHBondContact CA-O 3.48Å; I608-E613 HydrophobicContact CG1-CG 4.34Å
609L73.1Confident81.2Confident11 Ų1123.1 Ų23.16%0.05813%0.13CC..EExtended strand (participates in β ladder)trans-135.2122174.6-179.666.1000110.9L551 G553 V554 G611 E612 L614L551-L609 HydrophobicContact CD1-CD2 4.37Å; G553-L609 WeakPolarHBondContact O-CD1 3.44Å; V554-L609 HydrophobicContact CG1-CB 4.33Å; V554-L609 HydrophobicContact CG2-CB 4.19Å; V554-L609 HydrophobicContact CG2-CD1 4.05Å; V554-L609 HydrophobicContact CG2-CD2 4.18Å; V554-L609 HydrophobicContact CG2-CG 4.35Å; L609-G611 PolarHBondContact O-N 3.31Å; L609-G611 VanDerWaalsContact O-N 3.1Å; L609-E612 PolarHBondContact N-O 2.7Å; L609-E612 WeakPolarHBondContact O-CA 3.48Å; L609-E612 VanDerWaalsContact O-CB 3.27Å; L609-E612 WeakPolarHBondContact O-CB 3.48Å; L609-E612 PolarHBondContact O-N 3.31Å; L609-L614 HydrophobicContact CB-CD1 3.71Å
610G58.6Low81.5Confident13 Ų1324 Ų2413%0.13414%0.14CC..THydrogen-bonded Turntrans58.426.4178.500000113.9E612 E870 R886G610-E612 VanDerWaalsContact C-N 3.31Å; G610-E612 PolarHBondContact O-N 2.77Å; G610-E870 WeakPolarHBondContact CA-OE2 3.28Å; G610-R886 PolarHBondContact O-NH2 2.78Å
611G55.3Low81.4Confident40 Ų4030.4 Ų30.441%0.41218%0.182SC..THydrogen-bonded Turntrans78.22-171.600000115.9L609L609-G611 PolarHBondContact O-N 3.31Å; L609-G611 VanDerWaalsContact O-N 3.1Å
612E66.6Low81.3Confident32 Ų3238.9 Ų38.915%0.1522%0.219CC..EExtended strand (participates in β ladder)trans-89.5129.9171-170.6-175.3135.900110.1I608 L609 G610 R697I608-E612 CarbonylContact C-O 3.6Å; I608-E612 VanDerWaalsContact CA-O 3.3Å; I608-E612 WeakPolarHBondContact CA-O 3.48Å; L609-E612 PolarHBondContact N-O 2.7Å; L609-E612 WeakPolarHBondContact O-CA 3.48Å; L609-E612 VanDerWaalsContact O-CB 3.27Å; L609-E612 WeakPolarHBondContact O-CB 3.48Å; L609-E612 PolarHBondContact O-N 3.31Å; G610-E612 VanDerWaalsContact C-N 3.31Å; G610-E612 PolarHBondContact O-N 2.77Å; E612-R697 VanDerWaalsContact CD-NE 3.34Å; E612-R697 WeakPolarHBondContact OE1-CG 3.07Å; E612-R697 IonicContact OE1-NE 2.97Å; E612-R697 PolarHBondContact OE1-NE 3.18Å; E612-R697 VanDerWaalsContact OE1-NE 3.14Å; E612-R697 IonicContact OE2-CZ 3.17Å; E612-R697 VanDerWaalsContact OE2-CZ 3.27Å; E612-R697 IonicContact OE2-NE 2.72Å; E612-R697 PolarHBondContact OE2-NE 3.02Å; E612-R697 IonicContact OE2-NH2 3Å; E612-R697 PolarHBondContact OE2-NH2 3.35Å
613E78.1Confident81.1Confident76 Ų7640.6 Ų40.636%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-81.2127.4171-69.3171.1-146.300110.1I608 K651 T653I608-E613 HydrophobicContact CG1-CG 4.34Å; E613-K651 IonicContact OE1-NZ 3.42Å; E613-K651 PolarHBondContact OE1-NZ 3.41Å; E613-K651 WeakPolarHBondContact OE2-CD 3.3Å; E613-K651 IonicContact OE2-NZ 2.66Å; E613-K651 PolarHBondContact OE2-NZ 3.04Å; E613-T653 HydrophobicContact CB-CG2 3.52Å; E613-T653 WeakPolarHBondContact OE2-CB 3.47Å; E613-T653 PolarHBondContact OE2-OG1 3.47Å
614L85.4Confident81.1Confident0 Ų043.5 Ų43.50%024%0.242CC..PPolyproline II helixtrans-83.3151.2178.1-79.669.7000111.3A539 L551 V554 A607 L609 T653 F695 F696 R697A539-L614 HydrophobicContact CB-CD2 3.89Å; L551-L614 HydrophobicContact CD1-CD2 4.12Å; V554-L614 HydrophobicContact CG1-CD1 4.26Å; V554-L614 HydrophobicContact CG1-CD2 4.14Å; V554-L614 HydrophobicContact CG2-CD2 4.48Å; A607-L614 HydrophobicContact CB-CB 4.11Å; A607-L614 PolarHBondContact O-N 2.89Å; L609-L614 HydrophobicContact CB-CD1 3.71Å; L614-T653 VanDerWaalsContact O-CA 3.23Å; L614-T653 WeakPolarHBondContact O-CA 3.3Å; L614-T653 WeakPolarHBondContact O-CB 3.3Å; L614-F695 HydrophobicContact CB-CB 4.1Å; L614-F695 HydrophobicContact CB-CD1 4.23Å; L614-F695 HydrophobicContact CD2-CB 4.13Å; L614-F696 WeakPolarHBondContact CB-O 3.26Å; L614-R697 HydrophobicContact CD2-CB 4.44Å; L614-R697 HydrophobicContact CG-CB 4.26Å
615E89.8Confident81Confident40 Ų4041.7 Ų41.719%0.18724%0.239CC..EExtended strand (participates in β ladder)trans-78.3138.9172.2-85.7-157.6-149.200111.8R642 K652 F695 F696 V698E615-R642 IonicContact OE2-CZ 3.17Å; E615-R642 IonicContact OE2-NH1 2.8Å; E615-R642 PolarHBondContact OE2-NH1 3.09Å; E615-R642 IonicContact OE2-NH2 2.86Å; E615-K652 HydrophobicContact CG-CB 3.7Å; E615-K652 WeakPolarHBondContact OE1-CD 3.38Å; E615-K652 VanDerWaalsContact OE2-CD 3.32Å; E615-K652 WeakPolarHBondContact OE2-CD 3.41Å; E615-F695 CarbonylContact O-C 3.59Å; E615-F695 VanDerWaalsContact O-CA 3.31Å; E615-F695 WeakPolarHBondContact O-CA 3.32Å; E615-F696 HydrophobicContact CB-CD1 4.41Å; E615-F696 HydrophobicContact CB-CE1 3.81Å; E615-F696 HydrophobicContact CB-CE2 3.94Å; E615-F696 HydrophobicContact CB-CZ 3.55Å; E615-F696 HydrophobicContact CG-CZ 4.46Å; E615-F696 PolarHBondContact N-O 3.24Å; E615-F696 WeakPolarHBondContact O-CD1 3.49Å; E615-F696 PolarHBondContact O-N 3.04Å; E615-V698 HydrophobicContact CB-CG2 4.1Å; E615-V698 HydrophobicContact CG-CG2 3.77Å
616A92.4Very high80.7Confident0 Ų048.2 Ų48.20%027%0.274CS..EExtended strand (participates in β ladder)trans-79.4152.6171.300000111.3R642 K652 F655 F695A616-R642 HydrophobicContact CB-CG 3.94Å; A616-R642 WeakPolarHBondContact O-CD 3.44Å; A616-R642 PolarHBondContact O-NH1 3.13Å; A616-K652 PolarHBondContact N-O 3.04Å; A616-F655 HydrophobicContact CB-CB 4.27Å; A616-F655 HydrophobicContact CB-CD1 3.92Å; A616-F695 HydrophobicContact CB-CD1 4.05Å; A616-F695 HydrophobicContact CB-CE1 3.77Å; A616-F695 HydrophobicContact CB-CZ 4.43Å
617A91.6Very high80.6Confident0 Ų049.3 Ų49.30%028%0.278CS..PPolyproline II helixtrans-55.3132.9175.300000111.9F545 I627 I628 Y640 R694F545-A617 HydrophobicContact CZ-CB 4.38Å; A617-I627 HydrophobicContact CB-CG2 4.18Å; A617-I628 HydrophobicContact CB-CG1 4.5Å; A617-Y640 PolarHBondContact N-OH 3.3Å; A617-Y640 VanDerWaalsContact O-CE1 3.28Å; A617-Y640 WeakPolarHBondContact O-CE1 3.05Å; A617-Y640 PolarHBondContact O-OH 3.11Å; A617-R694 HydrophobicContact CB-CB 4.34Å; A617-R694 WeakPolarHBondContact CB-O 3.44Å; A617-R694 PolarHBondContact N-O 2.98Å
618P88.4Confident80.7Confident41 Ų4149.3 Ų49.327%0.26628%0.278SS..PPolyproline II helixtrans-70.5134.5-173.326-34.7000113.4I627P618-I627 HydrophobicContact CG-CG2 3.96Å
619S87.1Confident81.4Confident3 Ų346.9 Ų46.92%0.02127%0.267CS..  trans-96.3-10.6175.553.70000114.5K622 M623 R642 H645S619-K622 CarbonylContact O-C 3.54Å; S619-M623 PolarHBondContact O-N 3.41Å; S619-R642 WeakPolarHBondContact OG-CB 3.34Å; S619-R642 PolarHBondContact OG-N 2.82Å; S619-H645 PolarHBondContact OG-ND1 3.28Å
620S77.9Confident82.3Confident70 Ų7046.5 Ų46.549%0.4927%0.265SS..  trans-120.8144.7-172.2-179.50000110.5
621P71.5Confident83.8Confident137 Ų13747.4 Ų47.489%0.8927%0.27SS*.SBendcis-83.3-5.45.734.3-37.3000115.1
622K79.1Confident85.3Confident179 Ų17949 Ų4978%0.77827%0.267SS*.SBendtrans-150138.7170.6-174.9174.7179.2177.30109.4S619 N624S619-K622 CarbonylContact O-C 3.54Å; K622-N624 PolarHBondContact O-N 2.87Å
623M82.8Confident86.1Confident48 Ų4851.2 Ų51.224%0.23628%0.284CS..  trans-57.7128.3174.1-59.6-174.5-166.900110.5S619 I628 L635 Y640S619-M623 PolarHBondContact O-N 3.41Å; M623-I628 HydrophobicContact CB-CD1 3.99Å; M623-I628 HydrophobicContact CG-CD1 4.45Å; M623-L635 HydrophobicContact CB-CD2 4.31Å; M623-Y640 WeakPolarHBondContact CE-O 3.03Å
624N87.8Confident86.5Confident62 Ų6247.7 Ų47.733%0.33227%0.267SS..  trans-120.6108.3-180-177.7-13.5000109.8K622 N626 I627 I628K622-N624 PolarHBondContact O-N 2.87Å; N624-N626 PolarHBondContact O-N 2.86Å; N624-N626 PolarHBondContact OD1-N 2.9Å; N624-N626 VanDerWaalsContact OD1-N 3.14Å; N624-I627 HydrophobicContact CB-CB 4.13Å; N624-I627 HydrophobicContact CB-CD1 4.08Å; N624-I627 HydrophobicContact CB-CG1 4.22Å; N624-I627 WeakPolarHBondContact ND2-CD1 3.43Å; N624-I627 PolarHBondContact O-N 2.96Å; N624-I628 PolarHBondContact O-N 3.47Å
625P88.1Confident86.7Confident36 Ų3647.7 Ų47.723%0.23427%0.267CS..Hα-helixtrans-47.7-43.2178.9-34.239.7000114.1I627 G629 V630 Q632 L635P625-I627 PolarHBondContact O-N 2.81Å; P625-G629 WeakPolarHBondContact O-CA 3.33Å; P625-G629 PolarHBondContact O-N 2.94Å; P625-V630 WeakPolarHBondContact CA-O 3.3Å; P625-V630 VanDerWaalsContact CB-O 3.27Å; P625-V630 WeakPolarHBondContact CB-O 3.5Å; P625-V630 PolarHBondContact O-N 2.72Å; P625-Q632 HydrophobicContact CG-CG 3.82Å; P625-L635 HydrophobicContact CG-CD2 4.05Å
626N87Confident86.5Confident136 Ų13651.1 Ų51.173%0.72729%0.287SS*.Hα-helixtrans-70.4-20.2-176-64.9-12.1000113.3N624 R694N624-N626 PolarHBondContact O-N 2.86Å; N624-N626 PolarHBondContact OD1-N 2.9Å; N624-N626 VanDerWaalsContact OD1-N 3.14Å; N626-R694 PolarHBondContact O-NH1 2.86Å
627I88.3Confident86.2Confident55 Ų5554.3 Ų54.328%0.28230%0.301SS..Hα-helixtrans-92.5-48.3177.9-70.6179000110.1F545 A617 P618 N624 P625 G629 R694F545-I627 HydrophobicContact CE2-CG2 4.06Å; F545-I627 HydrophobicContact CZ-CG2 4.49Å; A617-I627 HydrophobicContact CB-CG2 4.18Å; P618-I627 HydrophobicContact CG-CG2 3.96Å; N624-I627 HydrophobicContact CB-CB 4.13Å; N624-I627 HydrophobicContact CB-CD1 4.08Å; N624-I627 HydrophobicContact CB-CG1 4.22Å; N624-I627 WeakPolarHBondContact ND2-CD1 3.43Å; N624-I627 PolarHBondContact O-N 2.96Å; P625-I627 PolarHBondContact O-N 2.81Å; I627-G629 VanDerWaalsContact C-N 3.29Å; I627-G629 PolarHBondContact O-N 3.11Å; I627-R694 PolarHBondContact O-NH1 2.89Å
628I91.3Very high86.1Confident0 Ų054.3 Ų54.30%030%0.301CS..Hα-helixtrans-68-31.5-178.9-64163.5000111.4A617 M623 N624 V630 L635 Y640 F693A617-I628 HydrophobicContact CB-CG1 4.5Å; M623-I628 HydrophobicContact CB-CD1 3.99Å; M623-I628 HydrophobicContact CG-CD1 4.45Å; N624-I628 PolarHBondContact O-N 3.47Å; I628-V630 HydrophobicContact CG2-CG2 4.39Å; I628-L635 HydrophobicContact CD1-CD1 4.23Å; I628-L635 HydrophobicContact CD1-CD2 4Å; I628-L635 HydrophobicContact CG2-CD1 3.97Å; I628-Y640 HydrophobicContact CD1-CD1 3.55Å; I628-Y640 HydrophobicContact CD1-CE1 3.99Å; I628-Y640 HydrophobicContact CD1-CG 4.26Å; I628-Y640 HydrophobicContact CG1-CD1 3.83Å; I628-Y640 HydrophobicContact CG1-CE1 3.79Å; I628-Y640 HydrophobicContact CG2-CD1 3.96Å; I628-Y640 HydrophobicContact CG2-CD2 3.9Å; I628-Y640 HydrophobicContact CG2-CE1 4.16Å; I628-Y640 HydrophobicContact CG2-CE2 4.07Å; I628-Y640 HydrophobicContact CG2-CG 3.85Å; I628-F693 HydrophobicContact CG2-CD1 4.08Å; I628-F693 HydrophobicContact CG2-CE1 4.27Å
629G89.8Confident86.1Confident6 Ų654.9 Ų54.96%0.06230%0.301CS..THydrogen-bonded Turntrans92.919.7178.500000114.7P625 I627 N691 H692P625-G629 WeakPolarHBondContact O-CA 3.33Å; P625-G629 PolarHBondContact O-N 2.94Å; I627-G629 VanDerWaalsContact C-N 3.29Å; I627-G629 PolarHBondContact O-N 3.11Å; G629-N691 CarbonylContact O-C 3.53Å; G629-N691 WeakPolarHBondContact O-CA 3.43Å; G629-H692 CarbonylContact C-O 3.56Å; G629-H692 VanDerWaalsContact CA-O 3.3Å; G629-H692 WeakPolarHBondContact CA-O 3.39Å; G629-H692 PolarHBondContact O-N 3Å
630V91.4Very high86.3Confident2 Ų254.8 Ų54.81%0.01230%0.3CS..  trans-134.6129.7-176-178.20000110.4P625 I628 L635 L638 P673 N691 F693P625-V630 WeakPolarHBondContact CA-O 3.3Å; P625-V630 VanDerWaalsContact CB-O 3.27Å; P625-V630 WeakPolarHBondContact CB-O 3.5Å; P625-V630 PolarHBondContact O-N 2.72Å; I628-V630 HydrophobicContact CG2-CG2 4.39Å; V630-L635 HydrophobicContact CB-CB 4.46Å; V630-L635 HydrophobicContact CB-CD1 4.34Å; V630-L635 HydrophobicContact CG1-CB 4.13Å; V630-L638 HydrophobicContact CG1-CD1 4.15Å; V630-P673 HydrophobicContact CG1-CG 4.15Å; V630-P673 HydrophobicContact CG2-CB 4.13Å; V630-P673 HydrophobicContact CG2-CG 3.75Å; V630-N691 WeakPolarHBondContact CA-OD1 3.4Å; V630-F693 HydrophobicContact CG2-CD1 4.01Å; V630-F693 HydrophobicContact CG2-CE1 3.75Å; V630-F693 HydrophobicContact CG2-CZ 4.14Å
631S89.6Confident86.9Confident33 Ų3352.9 Ų52.923%0.23128%0.284CS..  trans-67.3155.1178.660.50000113.8Y634 L635 N691S631-Y634 PolarHBondContact O-N 2.64Å; S631-L635 PolarHBondContact O-N 3.06Å; S631-N691 PolarHBondContact N-OD1 2.55Å; S631-N691 PolarHBondContact OG-ND2 3.02Å; S631-N691 PolarHBondContact OG-OD1 3.07Å
632Q86.6Confident87.8Confident74 Ų7447.3 Ų47.335%0.34625%0.245SC..THydrogen-bonded Turntrans-85.4147.2161.1-69.8-68.118.800109.6P625 D636P625-Q632 HydrophobicContact CG-CG 3.82Å; Q632-D636 VanDerWaalsContact NE2-CG 3.26Å; Q632-D636 PolarHBondContact NE2-OD1 2.94Å; Q632-D636 PolarHBondContact NE2-OD2 2.75Å; Q632-D636 VanDerWaalsContact OE1-CG 3.25Å; Q632-D636 VanDerWaalsContact OE1-N 3.15Å; Q632-D636 PolarHBondContact OE1-OD1 2.92Å; Q632-D636 PolarHBondContact OE1-OD2 2.93Å
633P84.1Confident88.2Confident78 Ų7840 Ų4051%0.50622%0.216SC..THydrogen-bonded Turncis-87.528.435.6-37.3000115.2L635 D636P633-L635 PolarHBondContact O-N 3.42Å; P633-D636 PolarHBondContact O-N 3.26Å
634Y87.6Confident88.3Confident1 Ų138.6 Ų38.60%0.00421%0.21CC..Hα-helixtrans-67.6-35-173.3-164.9-171.1000112.4S631 D636 K637 L638 A660 E669 G672S631-Y634 PolarHBondContact O-N 2.64Å; Y634-D636 VanDerWaalsContact C-N 3.33Å; Y634-D636 PolarHBondContact O-N 2.94Å; Y634-K637 HydrophobicContact CD2-CB 4.17Å; Y634-K637 HydrophobicContact CD2-CD 3.92Å; Y634-K637 HydrophobicContact CE2-CD 4.01Å; Y634-K637 WeakPolarHBondContact O-CB 3.33Å; Y634-K637 PolarHBondContact O-N 2.78Å; Y634-K637 VanDerWaalsContact O-N 3.07Å; Y634-L638 HydrophobicContact CD1-CD1 4.25Å; Y634-L638 HydrophobicContact CD2-CD1 3.78Å; Y634-L638 HydrophobicContact CD2-CD2 4.24Å; Y634-L638 HydrophobicContact CD2-CG 3.8Å; Y634-L638 HydrophobicContact CE1-CD1 4.34Å; Y634-L638 HydrophobicContact CE2-CD1 3.85Å; Y634-L638 HydrophobicContact CE2-CD2 3.67Å; Y634-L638 HydrophobicContact CE2-CG 3.77Å; Y634-L638 HydrophobicContact CG-CD1 3.99Å; Y634-L638 HydrophobicContact CG-CG 4.49Å; Y634-L638 WeakPolarHBondContact O-CG 3.36Å; Y634-L638 PolarHBondContact O-N 2.6Å; Y634-A660 PolarHBondContact OH-O 2.9Å; Y634-E669 HydrophobicContact CD1-CB 4.08Å; Y634-E669 HydrophobicContact CD1-CG 3.9Å; Y634-E669 HydrophobicContact CD2-CG 3.9Å; Y634-E669 HydrophobicContact CE1-CB 3.96Å; Y634-E669 HydrophobicContact CE1-CG 4.1Å; Y634-E669 HydrophobicContact CE2-CG 4.13Å; Y634-E669 HydrophobicContact CG-CB 4.48Å; Y634-E669 HydrophobicContact CG-CG 3.8Å; Y634-G672 WeakPolarHBondContact CD1-O 3.2Å; Y634-G672 WeakPolarHBondContact CE1-O 3.36Å
635L88.5Confident88.1Confident0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-55.8-42.1177.3178.361000113.2M623 P625 I628 V630 S631 P633 K637 L638 D639 Y640M623-L635 HydrophobicContact CB-CD2 4.31Å; P625-L635 HydrophobicContact CG-CD2 4.05Å; I628-L635 HydrophobicContact CD1-CD1 4.23Å; I628-L635 HydrophobicContact CD1-CD2 4Å; I628-L635 HydrophobicContact CG2-CD1 3.97Å; V630-L635 HydrophobicContact CB-CB 4.46Å; V630-L635 HydrophobicContact CB-CD1 4.34Å; V630-L635 HydrophobicContact CG1-CB 4.13Å; S631-L635 PolarHBondContact O-N 3.06Å; P633-L635 PolarHBondContact O-N 3.42Å; L635-K637 VanDerWaalsContact C-N 3.29Å; L635-K637 PolarHBondContact O-N 2.72Å; L635-L638 PolarHBondContact O-N 3.25Å; L635-L638 VanDerWaalsContact O-N 3.11Å; L635-D639 PolarHBondContact O-N 2.94Å; L635-Y640 HydrophobicContact CD1-CG 4.48Å
636D86.7Confident87.7Confident113 Ų11344.2 Ų44.260%0.60423%0.231SC*.Hα-helixtrans-64.8-31.9177.6-71.3-16.1000112.6Q632 P633 Y634 L638Q632-D636 VanDerWaalsContact NE2-CG 3.26Å; Q632-D636 PolarHBondContact NE2-OD1 2.94Å; Q632-D636 PolarHBondContact NE2-OD2 2.75Å; Q632-D636 VanDerWaalsContact OE1-CG 3.25Å; Q632-D636 VanDerWaalsContact OE1-N 3.15Å; Q632-D636 PolarHBondContact OE1-OD1 2.92Å; Q632-D636 PolarHBondContact OE1-OD2 2.93Å; P633-D636 PolarHBondContact O-N 3.26Å; Y634-D636 VanDerWaalsContact C-N 3.33Å; Y634-D636 PolarHBondContact O-N 2.94Å; D636-L638 VanDerWaalsContact C-N 3.27Å; D636-L638 PolarHBondContact O-N 3.22Å
637K86.3Confident87.4Confident67 Ų6741.3 Ų41.329%0.29122%0.215SC..Hα-helixtrans-71.4-20.9175.2-170.7-175.4-175.5-176.10112.6P598 Y634 L635 A660 E669P598-K637 HydrophobicContact CB-CG 4.38Å; P598-K637 HydrophobicContact CG-CG 4.2Å; Y634-K637 HydrophobicContact CD2-CB 4.17Å; Y634-K637 HydrophobicContact CD2-CD 3.92Å; Y634-K637 HydrophobicContact CE2-CD 4.01Å; Y634-K637 WeakPolarHBondContact O-CB 3.33Å; Y634-K637 PolarHBondContact O-N 2.78Å; Y634-K637 VanDerWaalsContact O-N 3.07Å; L635-K637 VanDerWaalsContact C-N 3.29Å; L635-K637 PolarHBondContact O-N 2.72Å; K637-A660 HydrophobicContact CD-CB 4.18Å; K637-A660 HydrophobicContact CG-CB 4.06Å; K637-E669 IonicContact NZ-OE1 3.25Å; K637-E669 PolarHBondContact NZ-OE1 3.18Å; K637-E669 IonicContact NZ-OE2 3.84Å; K637-E669 PolarHBondContact NZ-OE2 3.14Å
638L88.4Confident87Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-99.3-7.3-175.6-63.2170.2000113.7V630 Y634 L635 D636 Y640 I657 N658 A660 P673 I674 F693V630-L638 HydrophobicContact CG1-CD1 4.15Å; Y634-L638 HydrophobicContact CD1-CD1 4.25Å; Y634-L638 HydrophobicContact CD2-CD1 3.78Å; Y634-L638 HydrophobicContact CD2-CD2 4.24Å; Y634-L638 HydrophobicContact CD2-CG 3.8Å; Y634-L638 HydrophobicContact CE1-CD1 4.34Å; Y634-L638 HydrophobicContact CE2-CD1 3.85Å; Y634-L638 HydrophobicContact CE2-CD2 3.67Å; Y634-L638 HydrophobicContact CE2-CG 3.77Å; Y634-L638 HydrophobicContact CG-CD1 3.99Å; Y634-L638 HydrophobicContact CG-CG 4.49Å; Y634-L638 WeakPolarHBondContact O-CG 3.36Å; Y634-L638 PolarHBondContact O-N 2.6Å; L635-L638 PolarHBondContact O-N 3.25Å; L635-L638 VanDerWaalsContact O-N 3.11Å; D636-L638 VanDerWaalsContact C-N 3.27Å; D636-L638 PolarHBondContact O-N 3.22Å; L638-Y640 PolarHBondContact O-N 3.02Å; L638-I657 CarbonylContact O-C 3.52Å; L638-I657 WeakPolarHBondContact O-CA 3.44Å; L638-N658 WeakPolarHBondContact CD2-O 3.22Å; L638-N658 PolarHBondContact O-N 2.85Å; L638-A660 HydrophobicContact CD2-CB 4.3Å; L638-P673 HydrophobicContact CD1-CG 3.82Å; L638-I674 HydrophobicContact CD2-CD1 3.65Å; L638-F693 HydrophobicContact CD1-CZ 4.11Å
639D88.1Confident86.2Confident53 Ų5348.1 Ų48.128%0.28327%0.27SS..THydrogen-bonded Turntrans44.754.8175.5-166.920.3000114.1L635 Q641 N658L635-D639 PolarHBondContact O-N 2.94Å; D639-Q641 PolarHBondContact O-N 3.34Å; D639-Q641 PolarHBondContact OD1-NE2 3.12Å; D639-Q641 PolarHBondContact OD2-NE2 3.01Å; D639-N658 VanDerWaalsContact CB-ND2 3.31Å; D639-N658 WeakPolarHBondContact CB-ND2 3.48Å
640Y91.4Very high85.6Confident0 Ų052.2 Ų52.20%029%0.291CS..  trans-67.6114.8-174.3178.4-88.9000112.5A617 M623 I628 L635 L638 F655 I657 F693A617-Y640 PolarHBondContact N-OH 3.3Å; A617-Y640 VanDerWaalsContact O-CE1 3.28Å; A617-Y640 WeakPolarHBondContact O-CE1 3.05Å; A617-Y640 PolarHBondContact O-OH 3.11Å; M623-Y640 WeakPolarHBondContact CE-O 3.03Å; I628-Y640 HydrophobicContact CD1-CD1 3.55Å; I628-Y640 HydrophobicContact CD1-CE1 3.99Å; I628-Y640 HydrophobicContact CD1-CG 4.26Å; I628-Y640 HydrophobicContact CG1-CD1 3.83Å; I628-Y640 HydrophobicContact CG1-CE1 3.79Å; I628-Y640 HydrophobicContact CG2-CD1 3.96Å; I628-Y640 HydrophobicContact CG2-CD2 3.9Å; I628-Y640 HydrophobicContact CG2-CE1 4.16Å; I628-Y640 HydrophobicContact CG2-CE2 4.07Å; I628-Y640 HydrophobicContact CG2-CG 3.85Å; L635-Y640 HydrophobicContact CD1-CG 4.48Å; L638-Y640 PolarHBondContact O-N 3.02Å; Y640-F655 HydrophobicContact CD2-CB 4.39Å; Y640-F655 HydrophobicContact CD2-CD2 4.03Å; Y640-F655 HydrophobicContact CD2-CG 4.22Å; Y640-F655 HydrophobicContact CE2-CB 3.61Å; Y640-F655 AromaticContact CE2-CD1 3.75Å; Y640-F655 HydrophobicContact CE2-CD1 3.75Å; Y640-F655 AromaticContact CE2-CD2 3.6Å; Y640-F655 HydrophobicContact CE2-CD2 3.6Å; Y640-F655 HydrophobicContact CE2-CE1 4.25Å; Y640-F655 HydrophobicContact CE2-CE2 4.14Å; Y640-F655 AromaticContact CE2-CG 3.38Å; Y640-F655 HydrophobicContact CE2-CG 3.38Å; Y640-F655 HydrophobicContact CE2-CZ 4.44Å; Y640-F655 AromaticContact CZ-CG 3.97Å; Y640-I657 HydrophobicContact CD2-CG2 3.69Å; Y640-I657 HydrophobicContact CG-CG2 4.43Å; Y640-F693 AromaticContact CD2-CD1 3.71Å; Y640-F693 HydrophobicContact CD2-CD1 3.71Å; Y640-F693 AromaticContact CD2-CE1 3.62Å; Y640-F693 HydrophobicContact CD2-CE1 3.62Å; Y640-F693 AromaticContact CE2-CD1 3.82Å; Y640-F693 HydrophobicContact CE2-CD1 3.82Å; Y640-F693 HydrophobicContact CE2-CE1 4.22Å; Y640-F693 HydrophobicContact CG-CE1 4.5Å
641Q89.9Confident84.9Confident30 Ų3058.4 Ų58.414%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-128.2114.6-177.9-68160.74.500109.9D639 H645 F655 R656D639-Q641 PolarHBondContact O-N 3.34Å; D639-Q641 PolarHBondContact OD1-NE2 3.12Å; D639-Q641 PolarHBondContact OD2-NE2 3.01Å; Q641-H645 HydrophobicContact CB-CB 4.34Å; Q641-F655 CarbonylContact O-C 3.23Å; Q641-F655 WeakPolarHBondContact O-CA 3.47Å; Q641-R656 PolarHBondContact N-O 3.23Å; Q641-R656 PolarHBondContact O-N 2.92Å; Q641-R656 VanDerWaalsContact OE1-CZ 3.27Å
642R91.3Very high84.8Confident21 Ų2160.6 Ų60.68%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-66.6154.1169.8-167.3163.174.2158.49.2110E615 A616 S619 D644 H645 A654E615-R642 IonicContact OE2-CZ 3.17Å; E615-R642 IonicContact OE2-NH1 2.8Å; E615-R642 PolarHBondContact OE2-NH1 3.09Å; E615-R642 IonicContact OE2-NH2 2.86Å; A616-R642 HydrophobicContact CB-CG 3.94Å; A616-R642 WeakPolarHBondContact O-CD 3.44Å; A616-R642 PolarHBondContact O-NH1 3.13Å; S619-R642 WeakPolarHBondContact OG-CB 3.34Å; S619-R642 PolarHBondContact OG-N 2.82Å; R642-D644 WeakPolarHBondContact CB-OD1 3.41Å; R642-D644 WeakPolarHBondContact CG-OD1 3.42Å; R642-D644 IonicContact CZ-OD1 2.64Å; R642-D644 IonicContact CZ-OD2 3.29Å; R642-D644 IonicContact NE-OD1 3.31Å; R642-D644 PolarHBondContact NE-OD1 3.25Å; R642-D644 IonicContact NE-OD2 2.79Å; R642-D644 IonicContact NH2-OD1 2.88Å; R642-D644 PolarHBondContact NH2-OD1 3.36Å; R642-D644 IonicContact NH2-OD2 3.71Å; R642-D644 PolarHBondContact NH2-OD2 2.85Å; R642-D644 PolarHBondContact O-N 2.82Å; R642-H645 WeakPolarHBondContact O-CB 3.35Å; R642-H645 PolarHBondContact O-N 3.26Å; R642-A654 WeakPolarHBondContact CG-O 3.4Å
643S86.6Confident84.8Confident24 Ų2458.1 Ų58.117%0.16831%0.313CS..THydrogen-bonded Turntrans-60.1-15.9-179.747.10000115.4L650 K651 A654S643-L650 WeakPolarHBondContact O-CB 3.44Å; S643-L650 VanDerWaalsContact O-CD1 3.27Å; S643-L650 WeakPolarHBondContact O-CD1 3.36Å; S643-K651 VanDerWaalsContact CB-O 3.29Å; S643-K651 WeakPolarHBondContact CB-O 3.42Å; S643-K651 PolarHBondContact OG-O 3Å; S643-A654 PolarHBondContact N-O 3.34Å; S643-A654 PolarHBondContact OG-N 2.9Å; S643-A654 PolarHBondContact OG-O 2.74Å; S643-A654 VanDerWaalsContact OG-O 3.06Å
644D85.5Confident85.1Confident20 Ų2054.4 Ų54.411%0.10729%0.289CS..THydrogen-bonded Turntrans-98.710.9172.573.3-28.9000114.2R642 D647 K652R642-D644 WeakPolarHBondContact CB-OD1 3.41Å; R642-D644 WeakPolarHBondContact CG-OD1 3.42Å; R642-D644 IonicContact CZ-OD1 2.64Å; R642-D644 IonicContact CZ-OD2 3.29Å; R642-D644 IonicContact NE-OD1 3.31Å; R642-D644 PolarHBondContact NE-OD1 3.25Å; R642-D644 IonicContact NE-OD2 2.79Å; R642-D644 IonicContact NH2-OD1 2.88Å; R642-D644 PolarHBondContact NH2-OD1 3.36Å; R642-D644 IonicContact NH2-OD2 3.71Å; R642-D644 PolarHBondContact NH2-OD2 2.85Å; R642-D644 PolarHBondContact O-N 2.82Å; D644-D647 WeakPolarHBondContact CA-O 3.46Å; D644-K652 HydrophobicContact CB-CG 4.01Å; D644-K652 WeakPolarHBondContact OD2-CE 3.44Å; D644-K652 WeakPolarHBondContact OD2-CG 3.49Å
645H84.8Confident85.4Confident74 Ų7454.4 Ų54.434%0.34329%0.288SS..SBendtrans-67.7-44.1-177.2-168.2130.2000112.3S619 Q641 R642S619-H645 PolarHBondContact OG-ND1 3.28Å; Q641-H645 HydrophobicContact CB-CB 4.34Å; R642-H645 WeakPolarHBondContact O-CB 3.35Å; R642-H645 PolarHBondContact O-N 3.26Å
646E79.6Confident85.5Confident142 Ų14256.6 Ų56.666%0.66430%0.297SS*.SBendtrans-87.2-36.9179.8-64.4178.7-13500112.1R656E646-R656 IonicContact OE1-CZ 3.72Å; E646-R656 IonicContact OE1-NH1 2.65Å; E646-R656 IonicContact OE1-NH2 2.68Å; E646-R656 PolarHBondContact OE1-NH2 3.39Å
647D80.4Confident85.7Confident74 Ų7451.2 Ų51.240%0.39627%0.268SS..  trans-134.9111.9179.6177.38.5000111.5D644 A649 L650D644-D647 WeakPolarHBondContact CA-O 3.46Å; D647-A649 PolarHBondContact O-N 3.16Å; D647-A649 VanDerWaalsContact O-N 3.1Å; D647-A649 VanDerWaalsContact OD1-CB 3.31Å; D647-A649 WeakPolarHBondContact OD1-CB 3.34Å; D647-A649 PolarHBondContact OD1-N 2.91Å; D647-L650 HydrophobicContact CB-CD1 4Å; D647-L650 HydrophobicContact CB-CG 4.03Å; D647-L650 PolarHBondContact O-N 3.44Å; D647-L650 VanDerWaalsContact O-N 3.15Å
648P79.6Confident85.9Confident111 Ų11149 Ų4972%0.72126%0.259SS*.THydrogen-bonded Turntrans-62.1-10.9176.7-24.835.5000116.3
649A74Confident85.8Confident87 Ų8749 Ų4972%0.71926%0.259SS*.THydrogen-bonded Turntrans-83-15175.600000113.5D647D647-A649 PolarHBondContact O-N 3.16Å; D647-A649 VanDerWaalsContact O-N 3.1Å; D647-A649 VanDerWaalsContact OD1-CB 3.31Å; D647-A649 WeakPolarHBondContact OD1-CB 3.34Å; D647-A649 PolarHBondContact OD1-N 2.91Å
650L77.6Confident85.6Confident93 Ų9346.6 Ų46.649%0.48725%0.247SC..SBendtrans-71.9155.3177.2-67.6175.6000112S643 D647S643-L650 WeakPolarHBondContact O-CB 3.44Å; S643-L650 VanDerWaalsContact O-CD1 3.27Å; S643-L650 WeakPolarHBondContact O-CD1 3.36Å; D647-L650 HydrophobicContact CB-CD1 4Å; D647-L650 HydrophobicContact CB-CG 4.03Å; D647-L650 PolarHBondContact O-N 3.44Å; D647-L650 VanDerWaalsContact O-N 3.15Å
651K77.3Confident85.2Confident131 Ų13150.5 Ų50.557%0.5726%0.264SS*.  trans-56.8147.4170.6-70.3-175.3170.6-175.50110.3E613 S643 T653E613-K651 IonicContact OE1-NZ 3.42Å; E613-K651 PolarHBondContact OE1-NZ 3.41Å; E613-K651 WeakPolarHBondContact OE2-CD 3.3Å; E613-K651 IonicContact OE2-NZ 2.66Å; E613-K651 PolarHBondContact OE2-NZ 3.04Å; S643-K651 VanDerWaalsContact CB-O 3.29Å; S643-K651 WeakPolarHBondContact CB-O 3.42Å; S643-K651 PolarHBondContact OG-O 3Å; K651-T653 VanDerWaalsContact C-N 3.33Å
652K86.9Confident84.8Confident79 Ų7949.6 Ų49.634%0.34326%0.261SS..SBendtrans-93.913179.7-66171.5-179.9172.80114E615 A616 D644 A654E615-K652 HydrophobicContact CG-CB 3.7Å; E615-K652 WeakPolarHBondContact OE1-CD 3.38Å; E615-K652 VanDerWaalsContact OE2-CD 3.32Å; E615-K652 WeakPolarHBondContact OE2-CD 3.41Å; A616-K652 PolarHBondContact N-O 3.04Å; D644-K652 HydrophobicContact CB-CG 4.01Å; D644-K652 WeakPolarHBondContact OD2-CE 3.44Å; D644-K652 WeakPolarHBondContact OD2-CG 3.49Å; K652-A654 PolarHBondContact O-N 3.1Å
653T86.3Confident84.3Confident23 Ų2352.3 Ų52.314%0.14128%0.277CS..SBendtrans-9512-161.651.60000114.4E613 L614 K651E613-T653 HydrophobicContact CB-CG2 3.52Å; E613-T653 WeakPolarHBondContact OE2-CB 3.47Å; E613-T653 PolarHBondContact OE2-OG1 3.47Å; L614-T653 VanDerWaalsContact O-CA 3.23Å; L614-T653 WeakPolarHBondContact O-CA 3.3Å; L614-T653 WeakPolarHBondContact O-CB 3.3Å; K651-T653 VanDerWaalsContact C-N 3.33Å
654A90.4Very high83.9Confident0 Ų058.5 Ų58.50%030%0.303CS..EExtended strand (participates in β ladder)trans-148.1164.5-179.400000112.3Y604 V605 T606 R642 S643 K652Y604-A654 HydrophobicContact CD2-CB 4.41Å; Y604-A654 HydrophobicContact CE1-CB 3.91Å; Y604-A654 HydrophobicContact CE2-CB 3.61Å; Y604-A654 VanDerWaalsContact OH-CB 3.26Å; Y604-A654 WeakPolarHBondContact OH-CB 3.21Å; V605-A654 CarbonylContact O-C 3.57Å; V605-A654 WeakPolarHBondContact O-CA 3.34Å; V605-A654 WeakPolarHBondContact O-CB 3.45Å; T606-A654 HydrophobicContact CG2-CB 3.88Å; R642-A654 WeakPolarHBondContact CG-O 3.4Å; S643-A654 PolarHBondContact N-O 3.34Å; S643-A654 PolarHBondContact OG-N 2.9Å; S643-A654 PolarHBondContact OG-O 2.74Å; S643-A654 VanDerWaalsContact OG-O 3.06Å; K652-A654 PolarHBondContact O-N 3.1Å
655F92.8Very high83.6Confident0 Ų065 Ų650%034%0.337CS..EExtended strand (participates in β ladder)trans-138.8157.5166.264.8-106.3000112Y604 V605 A616 Y640 Q641 I657 F693 F695Y604-F655 WeakPolarHBondContact CA-O 3.27Å; V605-F655 HydrophobicContact CB-CD1 4.46Å; V605-F655 HydrophobicContact CB-CD2 4.11Å; V605-F655 HydrophobicContact CB-CE1 4.07Å; V605-F655 HydrophobicContact CB-CE2 3.67Å; V605-F655 HydrophobicContact CB-CG 4.49Å; V605-F655 HydrophobicContact CB-CZ 3.64Å; V605-F655 HydrophobicContact CG1-CE1 4.19Å; V605-F655 HydrophobicContact CG1-CE2 4.38Å; V605-F655 HydrophobicContact CG1-CZ 3.86Å; V605-F655 HydrophobicContact CG2-CD2 4.19Å; V605-F655 HydrophobicContact CG2-CE2 3.54Å; V605-F655 HydrophobicContact CG2-CZ 3.86Å; V605-F655 PolarHBondContact N-O 3.27Å; V605-F655 PolarHBondContact O-N 3.09Å; A616-F655 HydrophobicContact CB-CB 4.27Å; A616-F655 HydrophobicContact CB-CD1 3.92Å; Y640-F655 HydrophobicContact CD2-CB 4.39Å; Y640-F655 HydrophobicContact CD2-CD2 4.03Å; Y640-F655 HydrophobicContact CD2-CG 4.22Å; Y640-F655 HydrophobicContact CE2-CB 3.61Å; Y640-F655 AromaticContact CE2-CD1 3.75Å; Y640-F655 HydrophobicContact CE2-CD1 3.75Å; Y640-F655 AromaticContact CE2-CD2 3.6Å; Y640-F655 HydrophobicContact CE2-CD2 3.6Å; Y640-F655 HydrophobicContact CE2-CE1 4.25Å; Y640-F655 HydrophobicContact CE2-CE2 4.14Å; Y640-F655 AromaticContact CE2-CG 3.38Å; Y640-F655 HydrophobicContact CE2-CG 3.38Å; Y640-F655 HydrophobicContact CE2-CZ 4.44Å; Y640-F655 AromaticContact CZ-CG 3.97Å; Q641-F655 CarbonylContact O-C 3.23Å; Q641-F655 WeakPolarHBondContact O-CA 3.47Å; F655-I657 HydrophobicContact CD2-CG1 4.49Å; F655-I657 HydrophobicContact CD2-CG2 3.9Å; F655-I657 HydrophobicContact CE2-CD1 4.1Å; F655-I657 HydrophobicContact CE2-CG1 4.18Å; F655-I657 HydrophobicContact CE2-CG2 3.98Å; F655-F693 HydrophobicContact CE1-CB 3.88Å; F655-F693 HydrophobicContact CE1-CG 4.46Å; F655-F693 HydrophobicContact CE2-CB 4.29Å; F655-F693 HydrophobicContact CE2-CD1 4.25Å; F655-F693 HydrophobicContact CE2-CD2 4.34Å; F655-F693 HydrophobicContact CE2-CG 4.03Å; F655-F693 HydrophobicContact CZ-CB 3.45Å; F655-F693 VanDerWaalsContact CZ-CB 3.45Å; F655-F693 HydrophobicContact CZ-CD1 4.19Å; F655-F693 HydrophobicContact CZ-CD2 4.17Å; F655-F693 AromaticContact CZ-CG 3.68Å; F655-F693 HydrophobicContact CZ-CG 3.68Å; F655-F695 HydrophobicContact CD1-CE1 4.39Å; F655-F695 AromaticContact CD1-CE2 3.97Å; F655-F695 HydrophobicContact CD1-CE2 3.97Å; F655-F695 AromaticContact CD1-CZ 3.71Å; F655-F695 HydrophobicContact CD1-CZ 3.71Å; F655-F695 HydrophobicContact CE1-CD2 4.19Å; F655-F695 AromaticContact CE1-CE2 3.39Å; F655-F695 HydrophobicContact CE1-CE2 3.39Å; F655-F695 AromaticContact CE1-CZ 3.63Å; F655-F695 HydrophobicContact CE1-CZ 3.63Å; F655-F695 HydrophobicContact CZ-CE2 4.29Å
656R90.6Very high83.3Confident47 Ų4763.5 Ų63.518%0.17733%0.332CS..EExtended strand (participates in β ladder)trans-108.9139.5171.2-179.1168.167.2-1514.4109.5A603 Q641 E646A603-R656 VanDerWaalsContact O-CA 3.29Å; A603-R656 WeakPolarHBondContact O-CA 3.33Å; Q641-R656 PolarHBondContact N-O 3.23Å; Q641-R656 PolarHBondContact O-N 2.92Å; Q641-R656 VanDerWaalsContact OE1-CZ 3.27Å; E646-R656 IonicContact OE1-CZ 3.72Å; E646-R656 IonicContact OE1-NH1 2.65Å; E646-R656 IonicContact OE1-NH2 2.68Å; E646-R656 PolarHBondContact OE1-NH2 3.39Å
657I91.4Very high83Confident0 Ų064.3 Ų64.30%033%0.334CS..EExtended strand (participates in β ladder)trans-139.9153.1172.152.1171.2000111.1V535 T602 A603 L638 Y640 F655 L659 F693V535-I657 HydrophobicContact CG1-CD1 4.15Å; T602-I657 CarbonylContact C-O 3.59Å; T602-I657 WeakPolarHBondContact CA-O 3.3Å; T602-I657 WeakPolarHBondContact CB-O 3.41Å; A603-I657 HydrophobicContact CB-CD1 4.33Å; A603-I657 HydrophobicContact CB-CG1 3.88Å; A603-I657 PolarHBondContact N-O 3Å; A603-I657 PolarHBondContact O-N 2.88Å; L638-I657 CarbonylContact O-C 3.52Å; L638-I657 WeakPolarHBondContact O-CA 3.44Å; Y640-I657 HydrophobicContact CD2-CG2 3.69Å; Y640-I657 HydrophobicContact CG-CG2 4.43Å; F655-I657 HydrophobicContact CD2-CG1 4.49Å; F655-I657 HydrophobicContact CD2-CG2 3.9Å; F655-I657 HydrophobicContact CE2-CD1 4.1Å; F655-I657 HydrophobicContact CE2-CG1 4.18Å; F655-I657 HydrophobicContact CE2-CG2 3.98Å; I657-L659 HydrophobicContact CD1-CD2 3.69Å; I657-L659 HydrophobicContact CG1-CD2 4.14Å; I657-F693 HydrophobicContact CB-CZ 4.49Å; I657-F693 HydrophobicContact CD1-CD2 4.21Å; I657-F693 HydrophobicContact CD1-CE2 3.53Å; I657-F693 HydrophobicContact CD1-CZ 3.84Å; I657-F693 HydrophobicContact CG2-CE1 3.8Å; I657-F693 HydrophobicContact CG2-CE2 4.44Å; I657-F693 HydrophobicContact CG2-CZ 3.72Å
658N90Very high82.7Confident19 Ų1964.3 Ų64.310%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-80.3139.3163.5-67-16.7000109.5P598 T602 L638 D639 A660P598-N658 WeakPolarHBondContact O-CB 3.3Å; T602-N658 VanDerWaalsContact CG2-OD1 3.3Å; T602-N658 WeakPolarHBondContact CG2-OD1 3.21Å; L638-N658 WeakPolarHBondContact CD2-O 3.22Å; L638-N658 PolarHBondContact O-N 2.85Å; D639-N658 VanDerWaalsContact CB-ND2 3.31Å; D639-N658 WeakPolarHBondContact CB-ND2 3.48Å; N658-A660 PolarHBondContact O-N 2.83Å
659L86.9Confident82.8Confident0 Ų059.7 Ų59.70%030%0.303CS..  trans-10473.5-176.3-67.8179000111.6V535 N560 A591 F592 C593 D594 P598 Y601 A603 I657 I674V535-L659 HydrophobicContact CG2-CD2 3.67Å; N560-L659 VanDerWaalsContact ND2-CD1 3.26Å; N560-L659 WeakPolarHBondContact ND2-CD1 3.5Å; A591-L659 HydrophobicContact CB-CD1 3.77Å; F592-L659 WeakPolarHBondContact O-CD1 3.41Å; C593-L659 WeakPolarHBondContact CA-O 3.49Å; C593-L659 HydrophobicContact CB-CB 3.81Å; C593-L659 WeakPolarHBondContact CB-O 3.22Å; D594-L659 PolarHBondContact N-O 2.88Å; P598-L659 PolarHBondContact O-N 2.87Å; Y601-L659 PolarHBondContact O-N 2.83Å; A603-L659 HydrophobicContact CB-CD1 3.68Å; A603-L659 HydrophobicContact CB-CD2 4.01Å; A603-L659 HydrophobicContact CB-CG 3.91Å; I657-L659 HydrophobicContact CD1-CD2 3.69Å; I657-L659 HydrophobicContact CG1-CD2 4.14Å; L659-I674 HydrophobicContact CD2-CD1 3.77Å
660A83.6Confident83.1Confident3 Ų358.3 Ų58.33%0.02529%0.285CS..BIsolated β-bridgetrans-82.7115.3174.900000111.1P598 Y634 K637 L638 N658P598-A660 HydrophobicContact CB-CB 3.73Å; P598-A660 HydrophobicContact CG-CB 4.15Å; Y634-A660 PolarHBondContact OH-O 2.9Å; K637-A660 HydrophobicContact CD-CB 4.18Å; K637-A660 HydrophobicContact CG-CB 4.06Å; L638-A660 HydrophobicContact CD2-CB 4.3Å; N658-A660 PolarHBondContact O-N 2.83Å
661K82.7Confident83.5Confident82 Ų8256.6 Ų56.636%0.35728%0.277SS..PPolyproline II helixtrans-59136.5176.1-167.1-179.8-173.1177.20110.2D594 A595D594-K661 VanDerWaalsContact O-CB 3.26Å; D594-K661 WeakPolarHBondContact O-CB 3.44Å; D594-K661 PolarHBondContact O-N 3.35Å; A595-K661 HydrophobicContact CB-CB 4.35Å; A595-K661 HydrophobicContact CB-CD 4.12Å
662P82.3Confident84Confident12 Ų1250.4 Ų50.48%0.07825%0.25CC..PPolyproline II helixtrans-66.2135.2-176.728.3-38.7000112Q664 E669 I674 P676P662-Q664 PolarHBondContact O-N 2.88Å; P662-E669 WeakPolarHBondContact CA-OE2 3.31Å; P662-E669 HydrophobicContact CB-CB 3.86Å; P662-E669 VanDerWaalsContact CB-O 3.27Å; P662-E669 WeakPolarHBondContact CB-O 3.35Å; P662-I674 WeakPolarHBondContact CG-O 3.49Å; P662-P676 HydrophobicContact CG-CG 4.21Å
663N81.3Confident84.2Confident77 Ų7746.6 Ų46.641%0.41223%0.233SC..PPolyproline II helixtrans-72.8116.3170.7-179.6-2.5000109.8N665 N666 E669N663-N665 PolarHBondContact O-N 3.13Å; N663-N665 PolarHBondContact OD1-N 3.07Å; N663-N666 HydrophobicContact CB-CB 4.26Å; N663-N666 PolarHBondContact O-N 2.82Å; N663-E669 PolarHBondContact N-OE2 3.12Å
664Q77.5Confident84.5Confident155 Ų15545.5 Ų45.572%0.72423%0.226SC*.THydrogen-bonded Turntrans-58.9-21.4-179-69.4179.2-2800113.9P662P662-Q664 PolarHBondContact O-N 2.88Å
665N78.8Confident84.5Confident155 Ų15546.1 Ų46.183%0.82923%0.229SC*.THydrogen-bonded Turntrans-87.3-3.6177.1-62.3-35.5000113.7N663N663-N665 PolarHBondContact O-N 3.13Å; N663-N665 PolarHBondContact OD1-N 3.07Å
666N79.6Confident84.3Confident44 Ų4447.2 Ų47.224%0.23524%0.236CC..  trans-114.2107.7179.7-173.75.9000110.9N663 D668 E669 T670N663-N666 HydrophobicContact CB-CB 4.26Å; N663-N666 PolarHBondContact O-N 2.82Å; N666-D668 VanDerWaalsContact C-N 3.27Å; N666-D668 PolarHBondContact O-N 2.84Å; N666-D668 PolarHBondContact OD1-N 3.02Å; N666-E669 HydrophobicContact CB-CB 4.33Å; N666-E669 HydrophobicContact CB-CG 4.27Å; N666-E669 PolarHBondContact ND2-OE1 2.85Å; N666-E669 PolarHBondContact O-N 2.67Å; N666-T670 PolarHBondContact O-N 2.89Å; N666-T670 VanDerWaalsContact O-N 3.13Å
667F73.8Confident84Confident159 Ų15948.9 Ų48.970%0.69724%0.243SC*.Hα-helixtrans-56.8-40.2-175.1-167.4-98000112.6E669 T670 N671F667-E669 PolarHBondContact O-N 2.92Å; F667-T670 WeakPolarHBondContact CA-OG1 3.26Å; F667-T670 PolarHBondContact O-N 2.82Å; F667-T670 VanDerWaalsContact O-N 3.09Å; F667-T670 PolarHBondContact O-OG1 2.84Å; F667-N671 PolarHBondContact O-N 2.88Å
668D72.6Confident83.5Confident73 Ų7357.4 Ų57.439%0.3928%0.283SS..Hα-helixtrans-64.6-24.4179.8-65.2-37000113.6N666 N691N666-D668 VanDerWaalsContact C-N 3.27Å; N666-D668 PolarHBondContact O-N 2.84Å; N666-D668 PolarHBondContact OD1-N 3.02Å; D668-N691 PolarHBondContact O-ND2 3.01Å
669E81.8Confident83.2Confident15 Ų1560.2 Ų60.27%0.0730%0.297CS..Hα-helixtrans-87.2-31.7172.7-67.3-174.6-147.300112.2Y634 K637 P662 N663 N666 F667 N671Y634-E669 HydrophobicContact CD1-CB 4.08Å; Y634-E669 HydrophobicContact CD1-CG 3.9Å; Y634-E669 HydrophobicContact CD2-CG 3.9Å; Y634-E669 HydrophobicContact CE1-CB 3.96Å; Y634-E669 HydrophobicContact CE1-CG 4.1Å; Y634-E669 HydrophobicContact CE2-CG 4.13Å; Y634-E669 HydrophobicContact CG-CB 4.48Å; Y634-E669 HydrophobicContact CG-CG 3.8Å; K637-E669 IonicContact NZ-OE1 3.25Å; K637-E669 PolarHBondContact NZ-OE1 3.18Å; K637-E669 IonicContact NZ-OE2 3.84Å; K637-E669 PolarHBondContact NZ-OE2 3.14Å; P662-E669 WeakPolarHBondContact CA-OE2 3.31Å; P662-E669 HydrophobicContact CB-CB 3.86Å; P662-E669 VanDerWaalsContact CB-O 3.27Å; P662-E669 WeakPolarHBondContact CB-O 3.35Å; N663-E669 PolarHBondContact N-OE2 3.12Å; N666-E669 HydrophobicContact CB-CB 4.33Å; N666-E669 HydrophobicContact CB-CG 4.27Å; N666-E669 PolarHBondContact ND2-OE1 2.85Å; N666-E669 PolarHBondContact O-N 2.67Å; F667-E669 PolarHBondContact O-N 2.92Å; E669-N671 VanDerWaalsContact C-N 3.32Å; E669-N671 PolarHBondContact O-N 3.15Å
670T82.1Confident83Confident57 Ų5763 Ų6335%0.3531%0.312SS..Hα-helixtrans-71.7-22.8-179.158.80000114.1N666 F667 G672N666-T670 PolarHBondContact O-N 2.89Å; N666-T670 VanDerWaalsContact O-N 3.13Å; F667-T670 WeakPolarHBondContact CA-OG1 3.26Å; F667-T670 PolarHBondContact O-N 2.82Å; F667-T670 VanDerWaalsContact O-N 3.09Å; F667-T670 PolarHBondContact O-OG1 2.84Å; T670-G672 PolarHBondContact O-N 2.89Å; T670-G672 VanDerWaalsContact O-N 3.16Å
671N85.8Confident82.9Confident58 Ų5868.8 Ų68.831%0.3134%0.342SS..THydrogen-bonded Turntrans-83.528.3177.4-161.124.1000113.3F667 E669 A690 N691F667-N671 PolarHBondContact O-N 2.88Å; E669-N671 VanDerWaalsContact C-N 3.32Å; E669-N671 PolarHBondContact O-N 3.15Å; N671-A690 VanDerWaalsContact OD1-CB 3.3Å; N671-A690 WeakPolarHBondContact OD1-CB 3.12Å; N671-N691 WeakPolarHBondContact O-CB 3.44Å; N671-N691 PolarHBondContact O-N 2.97Å
672G87.4Confident83.1Confident0 Ų067.3 Ų67.30%035%0.345CS..SBendtrans83.4-177.1-175.500000114.4Y634 T670 Y675 N691Y634-G672 WeakPolarHBondContact CD1-O 3.2Å; Y634-G672 WeakPolarHBondContact CE1-O 3.36Å; T670-G672 PolarHBondContact O-N 2.89Å; T670-G672 VanDerWaalsContact O-N 3.16Å; G672-Y675 VanDerWaalsContact CA-CE2 3.45Å; G672-N691 WeakPolarHBondContact O-CB 3.38Å; G672-N691 PolarHBondContact O-ND2 2.89Å
673P90.8Very high83.5Confident0 Ų066.8 Ų66.80%034%0.341CS..SBendcis-85.3-7.49.335.6-37.6000113.8K536 V630 L638 N691 F693K536-P673 WeakPolarHBondContact CB-O 3.29Å; K536-P673 PolarHBondContact N-O 3.22Å; V630-P673 HydrophobicContact CG1-CG 4.15Å; V630-P673 HydrophobicContact CG2-CB 4.13Å; V630-P673 HydrophobicContact CG2-CG 3.75Å; L638-P673 HydrophobicContact CD1-CG 3.82Å; P673-N691 WeakPolarHBondContact CA-O 3.41Å; P673-N691 HydrophobicContact CB-CB 4.31Å; P673-F693 HydrophobicContact CB-CD2 3.98Å; P673-F693 HydrophobicContact CB-CE2 3.74Å; P673-F693 HydrophobicContact CB-CZ 4.37Å; P673-F693 HydrophobicContact CG-CD2 4.2Å; P673-F693 HydrophobicContact CG-CE2 3.46Å; P673-F693 VanDerWaalsContact CG-CE2 3.46Å; P673-F693 HydrophobicContact CG-CZ 3.69Å
674I92.4Very high83.8Confident0 Ų067.3 Ų67.30%034%0.342CS..EExtended strand (participates in β ladder)trans-101.7132176.2-56-178000108.7C533 Y534 L638 L659 P662C533-I674 HydrophobicContact CB-CG2 3.63Å; C533-I674 WeakPolarHBondContact SG-CG2 3.42Å; Y534-I674 CarbonylContact O-C 3.49Å; Y534-I674 WeakPolarHBondContact O-CA 3.45Å; L638-I674 HydrophobicContact CD2-CD1 3.65Å; L659-I674 HydrophobicContact CD2-CD1 3.77Å; P662-I674 WeakPolarHBondContact CG-O 3.49Å
675Y91.1Very high84.3Confident13 Ų1364.8 Ų64.85%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-119.4139.2-176.4-69.5-102.3000110.4C533 Y534 K536 G672 C683 A686C533-Y675 CarbonylContact C-O 3.56Å; C533-Y675 VanDerWaalsContact CA-O 3.26Å; C533-Y675 WeakPolarHBondContact CA-O 3.41Å; C533-Y675 WeakPolarHBondContact CB-O 3.35Å; Y534-Y675 PolarHBondContact N-O 2.9Å; Y534-Y675 PolarHBondContact O-N 3.18Å; K536-Y675 HydrophobicContact CB-CD2 4.26Å; K536-Y675 HydrophobicContact CB-CE2 3.79Å; K536-Y675 HydrophobicContact CG-CE2 4.36Å; G672-Y675 VanDerWaalsContact CA-CE2 3.45Å; Y675-C683 HydrophobicContact CD1-CB 4.07Å; Y675-C683 HydrophobicContact CD2-CB 3.94Å; Y675-C683 HydrophobicContact CG-CB 3.71Å; Y675-A686 HydrophobicContact CE1-CB 4.49Å; Y675-A686 WeakPolarHBondContact OH-CB 3.5Å
676P87.4Confident84.8Confident22 Ų2257.6 Ų57.614%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-56.1143.9174.5-2434.3000112.1P662 Q678 N679P662-P676 HydrophobicContact CG-CG 4.21Å; P676-Q678 PolarHBondContact O-N 3.37Å; P676-Q678 VanDerWaalsContact O-N 3.13Å; P676-N679 WeakPolarHBondContact O-CA 3.48Å; P676-N679 WeakPolarHBondContact O-CB 3.23Å; P676-N679 PolarHBondContact O-N 2.75Å
677Y84.1Confident85.2Confident83 Ų8358.6 Ų58.633%0.32530%0.304SS..G310 helixtrans-60.4-24-177.8-178.1-103.2000114.6R532 Y534 N679R532-Y677 HydrophobicContact CB-CD1 4.29Å; R532-Y677 HydrophobicContact CB-CD2 3.61Å; R532-Y677 HydrophobicContact CB-CE2 4.27Å; R532-Y677 HydrophobicContact CB-CG 3.61Å; R532-Y677 HydrophobicContact CG-CD2 4.38Å; R532-Y677 PolarHBondContact NH1-OH 2.9Å; R532-Y677 WeakPolarHBondContact O-CB 3.45Å; Y534-Y677 HydrophobicContact CE1-CD2 4.42Å; Y534-Y677 AromaticContact CE2-CD2 3.75Å; Y534-Y677 HydrophobicContact CE2-CD2 3.75Å; Y534-Y677 HydrophobicContact CE2-CE2 4.39Å; Y534-Y677 HydrophobicContact CE2-CG 4.32Å; Y534-Y677 WeakPolarHBondContact CE2-O 3.38Å; Y534-Y677 AromaticContact CZ-CD2 3.65Å; Y534-Y677 AromaticContact CZ-CE2 3.86Å; Y534-Y677 WeakPolarHBondContact OH-CE2 3.17Å; Y677-N679 PolarHBondContact O-N 2.82Å
678Q81Confident85.8Confident179 Ų17953.5 Ų53.584%0.83629%0.286SS*.G310 helixtrans-71.7-14.4172.8-70.6168.3-27.500113.2P676P676-Q678 PolarHBondContact O-N 3.37Å; P676-Q678 VanDerWaalsContact O-N 3.13Å
679N83.6Confident86.5Confident77 Ų7756.2 Ų56.241%0.41230%0.3SS..G310 helixtrans-112.435.9-169.7-64.614000112.3P676 Y677 L681 A682 C683P676-N679 WeakPolarHBondContact O-CA 3.48Å; P676-N679 WeakPolarHBondContact O-CB 3.23Å; P676-N679 PolarHBondContact O-N 2.75Å; Y677-N679 PolarHBondContact O-N 2.82Å; N679-L681 VanDerWaalsContact C-N 3.29Å; N679-L681 PolarHBondContact O-N 3.29Å; N679-A682 HydrophobicContact CB-CB 4.2Å; N679-A682 WeakPolarHBondContact O-CB 3.32Å; N679-A682 PolarHBondContact O-N 3.19Å; N679-C683 PolarHBondContact O-N 3.41Å; N679-C683 VanDerWaalsContact O-N 3.12Å
680L83.8Confident86.9Confident58 Ų5855.6 Ų55.630%0.30430%0.298SS..Hα-helixtrans-49.4-50177.1174.857.2000111.8Y534 C588 A682 C683 E684Y534-L680 HydrophobicContact CD1-CD1 4.1Å; Y534-L680 HydrophobicContact CD2-CB 4.3Å; Y534-L680 HydrophobicContact CD2-CD1 4.22Å; Y534-L680 HydrophobicContact CE1-CD1 3.82Å; Y534-L680 HydrophobicContact CE2-CB 3.62Å; Y534-L680 HydrophobicContact CE2-CD1 3.93Å; Y534-L680 HydrophobicContact CE2-CG 4.28Å; Y534-L680 HydrophobicContact CG-CD1 4.29Å; C588-L680 HydrophobicContact CB-CD1 4.37Å; L680-A682 PolarHBondContact O-N 2.8Å; L680-A682 VanDerWaalsContact O-N 3.16Å; L680-C683 CarbonylContact O-C 3.46Å; L680-C683 WeakPolarHBondContact O-CA 3.46Å; L680-C683 WeakPolarHBondContact O-CB 3.31Å; L680-C683 PolarHBondContact O-N 2.86Å; L680-E684 HydrophobicContact CD1-CG 3.8Å; L680-E684 HydrophobicContact CG-CG 4.19Å; L680-E684 PolarHBondContact O-N 2.68Å
681L82.4Confident87.4Confident126 Ų12653.6 Ų53.666%0.6629%0.285SS*.Hα-helixtrans-58.9-30.9-178.4-160.677.3000113.1N679 N685N679-L681 VanDerWaalsContact C-N 3.29Å; N679-L681 PolarHBondContact O-N 3.29Å; L681-N685 WeakPolarHBondContact O-CB 3.42Å; L681-N685 PolarHBondContact O-N 3.18Å; L681-N685 VanDerWaalsContact O-N 3.09Å; L681-N685 PolarHBondContact O-ND2 3.01Å
682A86.6Confident87.8Confident51 Ų5151 Ų5142%0.42127%0.271SS..Hα-helixtrans-77.2-35.1175.600000111.9N679 L680 A686N679-A682 HydrophobicContact CB-CB 4.2Å; N679-A682 WeakPolarHBondContact O-CB 3.32Å; N679-A682 PolarHBondContact O-N 3.19Å; L680-A682 PolarHBondContact O-N 2.8Å; L680-A682 VanDerWaalsContact O-N 3.16Å; A682-A686 WeakPolarHBondContact O-CA 3.26Å; A682-A686 WeakPolarHBondContact O-CB 3.37Å; A682-A686 PolarHBondContact O-N 2.91Å
683C89.8Confident88.2Confident0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-63.7-50.4169.4-175.90000110.4K536 C588 Y675 N679 L680 N685 A686K536-C683 WeakPolarHBondContact CD-O 3.27Å; K536-C683 WeakPolarHBondContact CE-O 3.49Å; K536-C683 PolarHBondContact NZ-O 2.97Å; C588-C683 HydrophobicContact CB-CB 4.04Å; C588-C683 WeakPolarHBondContact CB-SG 3.45Å; C588-C683 WeakPolarHBondContact SG-CB 3.35Å; C588-C683 PolarHBondContact SG-O 2.67Å; C588-C683 CovalentContact SG-SG 2.04Å; C588-C683 PolarHBondContact SG-SG 2.9Å; Y675-C683 HydrophobicContact CD1-CB 4.07Å; Y675-C683 HydrophobicContact CD2-CB 3.94Å; Y675-C683 HydrophobicContact CG-CB 3.71Å; N679-C683 PolarHBondContact O-N 3.41Å; N679-C683 VanDerWaalsContact O-N 3.12Å; L680-C683 CarbonylContact O-C 3.46Å; L680-C683 WeakPolarHBondContact O-CA 3.46Å; L680-C683 WeakPolarHBondContact O-CB 3.31Å; L680-C683 PolarHBondContact O-N 2.86Å; C683-N685 PolarHBondContact O-N 3.36Å; C683-A686 WeakPolarHBondContact O-CB 3.37Å; C683-A686 PolarHBondContact O-N 2.95Å
684E87.2Confident88.3Confident89 Ų8952.6 Ų52.642%0.41628%0.277SS..Hα-helixtrans-60.8-43.7-176.5-71.6-179.3156.600112.2K536 N585 C588 L680 A686K536-E684 PolarHBondContact NZ-O 2.91Å; N585-E684 WeakPolarHBondContact CB-O 3.35Å; N585-E684 PolarHBondContact ND2-O 2.7Å; N585-E684 VanDerWaalsContact ND2-O 3.12Å; C588-E684 PolarHBondContact SG-N 3.42Å; C588-E684 VanDerWaalsContact SG-N 3.43Å; L680-E684 HydrophobicContact CD1-CG 3.8Å; L680-E684 HydrophobicContact CG-CG 4.19Å; L680-E684 PolarHBondContact O-N 2.68Å; E684-A686 VanDerWaalsContact C-N 3.35Å
685N87.9Confident88.4Confident102 Ų10252.6 Ų52.655%0.54528%0.277SS..THydrogen-bonded Turntrans-90.18.6178.8-61.8-68.2000114.3L681 C683L681-N685 WeakPolarHBondContact O-CB 3.42Å; L681-N685 PolarHBondContact O-N 3.18Å; L681-N685 VanDerWaalsContact O-N 3.09Å; L681-N685 PolarHBondContact O-ND2 3.01Å; C683-N685 PolarHBondContact O-N 3.36Å
686A88.9Confident88.2Confident4 Ų453 Ų533%0.03328%0.279CS..  trans-55.7130.4177.100000110.9K536 R538 Y675 A682 C683 E684 A690K536-A686 HydrophobicContact CD-CB 4.33Å; R538-A686 PolarHBondContact NH2-O 2.91Å; Y675-A686 HydrophobicContact CE1-CB 4.49Å; Y675-A686 WeakPolarHBondContact OH-CB 3.5Å; A682-A686 WeakPolarHBondContact O-CA 3.26Å; A682-A686 WeakPolarHBondContact O-CB 3.37Å; A682-A686 PolarHBondContact O-N 2.91Å; C683-A686 WeakPolarHBondContact O-CB 3.37Å; C683-A686 PolarHBondContact O-N 2.95Å; E684-A686 VanDerWaalsContact C-N 3.35Å; A686-A690 HydrophobicContact CB-CB 4.3Å
687P89.1Confident88Confident65 Ų6553.4 Ų53.442%0.42228%0.278SS..  trans-75.4176.4-179.134.9-38.8000111.6R538 D689 A690R538-P687 PolarHBondContact NH2-O 2.85Å; P687-D689 VanDerWaalsContact C-N 3.32Å; P687-D689 WeakPolarHBondContact CB-OD1 3.36Å; P687-D689 VanDerWaalsContact CG-OD1 3.29Å; P687-D689 WeakPolarHBondContact CG-OD1 3.15Å; P687-D689 PolarHBondContact O-N 3.4Å; P687-A690 HydrophobicContact CG-CB 4.18Å; P687-A690 WeakPolarHBondContact O-CB 3.38Å; P687-A690 PolarHBondContact O-N 2.72Å
688V85.8Confident87.1Confident52 Ų5253.3 Ų53.332%0.31529%0.285SS..SBendtrans-78.8-18.3-169.3-1580000112.9P547 H692P547-V688 HydrophobicContact CB-CG1 4.13Å; P547-V688 HydrophobicContact CB-CG2 4.45Å; P547-V688 HydrophobicContact CG-CG1 4Å; V688-H692 PolarHBondContact O-CE1 2.89Å; V688-H692 VanDerWaalsContact O-CE1 3.23Å
689D87.2Confident85.9Confident130 Ų13046.6 Ų46.670%0.69525%0.254SS*.SBendtrans-83.9-18.517358.8-54.6000113.6P687P687-D689 VanDerWaalsContact C-N 3.32Å; P687-D689 WeakPolarHBondContact CB-OD1 3.36Å; P687-D689 VanDerWaalsContact CG-OD1 3.29Å; P687-D689 WeakPolarHBondContact CG-OD1 3.15Å; P687-D689 PolarHBondContact O-N 3.4Å
690A90.9Very high84.7Confident2 Ų246.3 Ų46.32%0.01725%0.249CC..SBendtrans-66.1147.7170.200000111.1N671 A686 P687 H692N671-A690 VanDerWaalsContact OD1-CB 3.3Å; N671-A690 WeakPolarHBondContact OD1-CB 3.12Å; A686-A690 HydrophobicContact CB-CB 4.3Å; P687-A690 HydrophobicContact CG-CB 4.18Å; P687-A690 WeakPolarHBondContact O-CB 3.38Å; P687-A690 PolarHBondContact O-N 2.72Å; A690-H692 PolarHBondContact O-N 2.86Å; A690-H692 PolarHBondContact O-ND1 2.93Å
691N92.1Very high83.4Confident15 Ų1546.5 Ų46.58%0.0825%0.25CS..  trans-60.3135-178.2-75.5-31.2000111G629 V630 S631 D668 N671 G672 P673G629-N691 CarbonylContact O-C 3.53Å; G629-N691 WeakPolarHBondContact O-CA 3.43Å; V630-N691 WeakPolarHBondContact CA-OD1 3.4Å; S631-N691 PolarHBondContact N-OD1 2.55Å; S631-N691 PolarHBondContact OG-ND2 3.02Å; S631-N691 PolarHBondContact OG-OD1 3.07Å; D668-N691 PolarHBondContact O-ND2 3.01Å; N671-N691 WeakPolarHBondContact O-CB 3.44Å; N671-N691 PolarHBondContact O-N 2.97Å; G672-N691 WeakPolarHBondContact O-CB 3.38Å; G672-N691 PolarHBondContact O-ND2 2.89Å; P673-N691 WeakPolarHBondContact CA-O 3.41Å; P673-N691 HydrophobicContact CB-CB 4.31Å
692H93.8Very high82.9Confident2 Ų243.3 Ų43.31%0.00923%0.231CC..  trans-160.2146.817959-91000110.8K536 R538 Y540 G629 V688 A690 R694K536-H692 HydrophobicContact CB-CB 4.19Å; K536-H692 HydrophobicContact CG-CB 3.69Å; R538-H692 HydrophobicContact CG-CB 4.41Å; Y540-H692 PolarHBondContact OH-NE2 2.84Å; G629-H692 CarbonylContact C-O 3.56Å; G629-H692 VanDerWaalsContact CA-O 3.3Å; G629-H692 WeakPolarHBondContact CA-O 3.39Å; G629-H692 PolarHBondContact O-N 3Å; V688-H692 PolarHBondContact O-CE1 2.89Å; V688-H692 VanDerWaalsContact O-CE1 3.23Å; A690-H692 PolarHBondContact O-N 2.86Å; A690-H692 PolarHBondContact O-ND1 2.93Å; H692-R694 PolarHBondContact NE2-NE 3.06Å
693F95.8Very high82.5Confident0 Ų041.5 Ų41.50%021%0.213CC..EExtended strand (participates in β ladder)trans-77.8153.7173.1-63.7-73.5000111.9V535 K536 V537 R538 I628 V630 L638 Y640 F655 I657 P673V535-F693 HydrophobicContact CG1-CD2 3.82Å; V535-F693 HydrophobicContact CG1-CE2 3.98Å; K536-F693 PolarHBondContact O-N 2.89Å; V537-F693 WeakPolarHBondContact CA-O 3.27Å; V537-F693 HydrophobicContact CG2-CB 4.42Å; R538-F693 PolarHBondContact N-O 3.05Å; I628-F693 HydrophobicContact CG2-CD1 4.08Å; I628-F693 HydrophobicContact CG2-CE1 4.27Å; V630-F693 HydrophobicContact CG2-CD1 4.01Å; V630-F693 HydrophobicContact CG2-CE1 3.75Å; V630-F693 HydrophobicContact CG2-CZ 4.14Å; L638-F693 HydrophobicContact CD1-CZ 4.11Å; Y640-F693 AromaticContact CD2-CD1 3.71Å; Y640-F693 HydrophobicContact CD2-CD1 3.71Å; Y640-F693 AromaticContact CD2-CE1 3.62Å; Y640-F693 HydrophobicContact CD2-CE1 3.62Å; Y640-F693 AromaticContact CE2-CD1 3.82Å; Y640-F693 HydrophobicContact CE2-CD1 3.82Å; Y640-F693 HydrophobicContact CE2-CE1 4.22Å; Y640-F693 HydrophobicContact CG-CE1 4.5Å; F655-F693 HydrophobicContact CE1-CB 3.88Å; F655-F693 HydrophobicContact CE1-CG 4.46Å; F655-F693 HydrophobicContact CE2-CB 4.29Å; F655-F693 HydrophobicContact CE2-CD1 4.25Å; F655-F693 HydrophobicContact CE2-CD2 4.34Å; F655-F693 HydrophobicContact CE2-CG 4.03Å; F655-F693 HydrophobicContact CZ-CB 3.45Å; F655-F693 VanDerWaalsContact CZ-CB 3.45Å; F655-F693 HydrophobicContact CZ-CD1 4.19Å; F655-F693 HydrophobicContact CZ-CD2 4.17Å; F655-F693 AromaticContact CZ-CG 3.68Å; F655-F693 HydrophobicContact CZ-CG 3.68Å; I657-F693 HydrophobicContact CB-CZ 4.49Å; I657-F693 HydrophobicContact CD1-CD2 4.21Å; I657-F693 HydrophobicContact CD1-CE2 3.53Å; I657-F693 HydrophobicContact CD1-CZ 3.84Å; I657-F693 HydrophobicContact CG2-CE1 3.8Å; I657-F693 HydrophobicContact CG2-CE2 4.44Å; I657-F693 HydrophobicContact CG2-CZ 3.72Å; P673-F693 HydrophobicContact CB-CD2 3.98Å; P673-F693 HydrophobicContact CB-CE2 3.74Å; P673-F693 HydrophobicContact CB-CZ 4.37Å; P673-F693 HydrophobicContact CG-CD2 4.2Å; P673-F693 HydrophobicContact CG-CE2 3.46Å; P673-F693 VanDerWaalsContact CG-CE2 3.46Å; P673-F693 HydrophobicContact CG-CZ 3.69Å
694R94.4Very high82.3Confident35 Ų3544.2 Ų44.213%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-126131.2-171.9-58.5-168.6-173.4142.50.6114.5R538 Y540 F545 A617 N626 I627 H692R538-R694 WeakPolarHBondContact O-CA 3.36Å; Y540-R694 HydrophobicContact CE2-CB 4.45Å; Y540-R694 HydrophobicContact CE2-CG 3.98Å; F545-R694 HydrophobicContact CD1-CB 3.93Å; F545-R694 VanDerWaalsContact CD1-CD 3.43Å; F545-R694 HydrophobicContact CD1-CG 4.28Å; F545-R694 HydrophobicContact CE1-CB 3.76Å; F545-R694 VanDerWaalsContact CG-CD 3.45Å; F545-R694 HydrophobicContact CZ-CB 4.44Å; A617-R694 HydrophobicContact CB-CB 4.34Å; A617-R694 WeakPolarHBondContact CB-O 3.44Å; A617-R694 PolarHBondContact N-O 2.98Å; N626-R694 PolarHBondContact O-NH1 2.86Å; I627-R694 PolarHBondContact O-NH1 2.89Å; H692-R694 PolarHBondContact NE2-NE 3.06Å
695F94Very high82.4Confident0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-108.3155.2160.1-73.4-89.6000110.5V537 R538 A539 Y540 I556 V605 A607 L614 E615 A616 F655V537-F695 HydrophobicContact CG1-CD2 3.73Å; V537-F695 HydrophobicContact CG1-CE2 3.95Å; R538-F695 PolarHBondContact O-N 2.9Å; A539-F695 CarbonylContact C-O 3.52Å; A539-F695 WeakPolarHBondContact CA-O 3.48Å; A539-F695 HydrophobicContact CB-CB 4.4Å; Y540-F695 PolarHBondContact N-O 2.73Å; I556-F695 HydrophobicContact CD1-CD2 4.35Å; V605-F695 HydrophobicContact CG1-CE2 3.92Å; V605-F695 HydrophobicContact CG1-CZ 4.17Å; A607-F695 HydrophobicContact CB-CB 3.99Å; A607-F695 HydrophobicContact CB-CD1 3.52Å; A607-F695 HydrophobicContact CB-CD2 3.6Å; A607-F695 HydrophobicContact CB-CE1 3.79Å; A607-F695 HydrophobicContact CB-CE2 3.85Å; A607-F695 HydrophobicContact CB-CG 3.42Å; A607-F695 VanDerWaalsContact CB-CG 3.42Å; A607-F695 HydrophobicContact CB-CZ 3.95Å; L614-F695 HydrophobicContact CB-CB 4.1Å; L614-F695 HydrophobicContact CB-CD1 4.23Å; L614-F695 HydrophobicContact CD2-CB 4.13Å; E615-F695 CarbonylContact O-C 3.59Å; E615-F695 VanDerWaalsContact O-CA 3.31Å; E615-F695 WeakPolarHBondContact O-CA 3.32Å; A616-F695 HydrophobicContact CB-CD1 4.05Å; A616-F695 HydrophobicContact CB-CE1 3.77Å; A616-F695 HydrophobicContact CB-CZ 4.43Å; F655-F695 HydrophobicContact CD1-CE1 4.39Å; F655-F695 AromaticContact CD1-CE2 3.97Å; F655-F695 HydrophobicContact CD1-CE2 3.97Å; F655-F695 AromaticContact CD1-CZ 3.71Å; F655-F695 HydrophobicContact CD1-CZ 3.71Å; F655-F695 HydrophobicContact CE1-CD2 4.19Å; F655-F695 AromaticContact CE1-CE2 3.39Å; F655-F695 HydrophobicContact CE1-CE2 3.39Å; F655-F695 AromaticContact CE1-CZ 3.63Å; F655-F695 HydrophobicContact CE1-CZ 3.63Å; F655-F695 HydrophobicContact CZ-CE2 4.29Å
696F87.6Confident82.5Confident20 Ų2036.3 Ų36.39%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-137.2150.2169.765.1-81.3000111.8Y540 E543 F545 L614 E615Y540-F696 CarbonylContact O-C 3.5Å; Y540-F696 WeakPolarHBondContact O-CA 3.43Å; E543-F696 HydrophobicContact CB-CD2 4.23Å; E543-F696 HydrophobicContact CB-CE2 4.28Å; F545-F696 HydrophobicContact CE1-CB 4.04Å; F545-F696 AromaticContact CE1-CD1 3.93Å; F545-F696 HydrophobicContact CE1-CD1 3.93Å; F545-F696 HydrophobicContact CE1-CG 4.34Å; F545-F696 AromaticContact CZ-CD1 3.98Å; F545-F696 HydrophobicContact CZ-CD1 3.98Å; L614-F696 WeakPolarHBondContact CB-O 3.26Å; E615-F696 HydrophobicContact CB-CD1 4.41Å; E615-F696 HydrophobicContact CB-CE1 3.81Å; E615-F696 HydrophobicContact CB-CE2 3.94Å; E615-F696 HydrophobicContact CB-CZ 3.55Å; E615-F696 HydrophobicContact CG-CZ 4.46Å; E615-F696 PolarHBondContact N-O 3.24Å; E615-F696 WeakPolarHBondContact O-CD1 3.49Å; E615-F696 PolarHBondContact O-N 3.04Å
697R81.6Confident82.6Confident32 Ų3236.2 Ų36.212%0.12119%0.185CC..  trans-84.3143.3178.1-162.7172.1176.5-132.4-14.4110.9Y540 L551 E612 L614 E699Y540-R697 PolarHBondContact O-N 2.81Å; L551-R697 HydrophobicContact CD1-CB 3.96Å; E612-R697 VanDerWaalsContact CD-NE 3.34Å; E612-R697 WeakPolarHBondContact OE1-CG 3.07Å; E612-R697 IonicContact OE1-NE 2.97Å; E612-R697 PolarHBondContact OE1-NE 3.18Å; E612-R697 VanDerWaalsContact OE1-NE 3.14Å; E612-R697 IonicContact OE2-CZ 3.17Å; E612-R697 VanDerWaalsContact OE2-CZ 3.27Å; E612-R697 IonicContact OE2-NE 2.72Å; E612-R697 PolarHBondContact OE2-NE 3.02Å; E612-R697 IonicContact OE2-NH2 3Å; E612-R697 PolarHBondContact OE2-NH2 3.35Å; L614-R697 HydrophobicContact CD2-CB 4.44Å; L614-R697 HydrophobicContact CG-CB 4.26Å; R697-E699 IonicContact CZ-OE1 3.66Å; R697-E699 IonicContact CZ-OE2 3.55Å; R697-E699 IonicContact NH1-OE1 3.26Å; R697-E699 PolarHBondContact NH1-OE1 3.24Å; R697-E699 IonicContact NH1-OE2 3.96Å; R697-E699 PolarHBondContact NH1-OE2 3.39Å; R697-E699 IonicContact NH2-OE1 2.86Å; R697-E699 PolarHBondContact NH2-OE1 3.18Å; R697-E699 PolarHBondContact O-N 2.79Å
698V64.8Low82.6Confident80 Ų8033.2 Ų33.249%0.48517%0.166SC..  trans-92.941.4-177.3-160.40000111.3E615E615-V698 HydrophobicContact CB-CG2 4.1Å; E615-V698 HydrophobicContact CG-CG2 3.77Å
699E57.3Low82.6Confident38 Ų3832.1 Ų32.118%0.17816%0.16CC..  trans-82.4125.9171.7-90.8-166.1168.500111.1R697 D701 K702R697-E699 IonicContact CZ-OE1 3.66Å; R697-E699 IonicContact CZ-OE2 3.55Å; R697-E699 IonicContact NH1-OE1 3.26Å; R697-E699 PolarHBondContact NH1-OE1 3.24Å; R697-E699 IonicContact NH1-OE2 3.96Å; R697-E699 PolarHBondContact NH1-OE2 3.39Å; R697-E699 IonicContact NH2-OE1 2.86Å; R697-E699 PolarHBondContact NH2-OE1 3.18Å; R697-E699 PolarHBondContact O-N 2.79Å; E699-D701 PolarHBondContact O-N 3.34Å; E699-D701 VanDerWaalsContact O-N 3.07Å; E699-K702 WeakPolarHBondContact OE2-CD 3.27Å
700K56.8Low82.4Confident72 Ų7227.3 Ų27.331%0.31313%0.133SC..  trans-77.695.1-178.6-62.5-174.8176.5-179.80111.2K702 E746 R772K700-K702 PolarHBondContact O-N 3.46Å; K700-E746 IonicContact NZ-OE1 3.53Å; K700-E746 PolarHBondContact NZ-OE1 2.79Å; K700-R772 HydrophobicContact CB-CB 3.87Å; K700-R772 WeakPolarHBondContact O-CB 3.33Å; K700-R772 PolarHBondContact O-N 2.82Å
701D56.8Low81.6Confident61 Ų6129.4 Ų29.433%0.32614%0.143SC..SBendtrans3775.1175.6-80.7-30.2000113E699 M748 R772E699-D701 PolarHBondContact O-N 3.34Å; E699-D701 VanDerWaalsContact O-N 3.07Å; D701-M748 HydrophobicContact CB-CE 4.31Å; D701-M748 HydrophobicContact CB-SD 4.21Å; D701-M748 WeakPolarHBondContact O-CE 3.29Å; D701-R772 HydrophobicContact CB-CB 4.45Å; D701-R772 IonicContact OD2-CZ 2.72Å; D701-R772 IonicContact OD2-NE 3.51Å; D701-R772 IonicContact OD2-NH2 2.76Å; D701-R772 PolarHBondContact OD2-NH2 3.2Å
702K71.7Confident80.7Confident59 Ų5930.3 Ų30.326%0.25715%0.146SC..  trans-85.3140.1168.9-165.9-177.8-172-154.50109.8E699 K700 E704 I771E699-K702 WeakPolarHBondContact OE2-CD 3.27Å; K700-K702 PolarHBondContact O-N 3.46Å; K702-E704 WeakPolarHBondContact CE-OE1 3.27Å; K702-E704 IonicContact NZ-OE1 3.38Å; K702-E704 PolarHBondContact NZ-OE1 2.73Å; K702-I771 HydrophobicContact CB-CD1 3.95Å; K702-I771 HydrophobicContact CG-CD1 4.08Å
703Y79.4Confident79Confident13 Ų1332.8 Ų32.85%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-138.3133.4171.9171.4-100.7000110.8R188 L189 P190 Y705 R769 D770R188-Y703 HydrophobicContact CB-CE2 4.1Å; R188-Y703 HydrophobicContact CG-CD2 4.23Å; R188-Y703 HydrophobicContact CG-CE2 3.88Å; R188-Y703 PolarHBondContact O-OH 2.56Å; L189-Y703 VanDerWaalsContact C-CZ 3.48Å; L189-Y703 WeakPolarHBondContact CA-OH 3.35Å; L189-Y703 WeakPolarHBondContact O-CE2 3.36Å; P190-Y703 HydrophobicContact CB-CE1 4.1Å; P190-Y703 WeakPolarHBondContact CD-OH 3.33Å; P190-Y703 HydrophobicContact CG-CE1 3.91Å; Y703-Y705 WeakPolarHBondContact OH-CB 3.43Å; Y703-Y705 WeakPolarHBondContact OH-CD2 3.35Å; Y703-R769 WeakPolarHBondContact O-CA 3.33Å; Y703-D770 HydrophobicContact CD1-CB 4.45Å; Y703-D770 PolarHBondContact N-O 3.4Å; Y703-D770 PolarHBondContact O-N 2.72Å
704E86.2Confident77.6Confident58 Ų5834 Ų3427%0.27117%0.166SC..EExtended strand (participates in β ladder)trans-126.5134179.7-56-161.1-153.400110.5K702 R769 K869K702-E704 WeakPolarHBondContact CE-OE1 3.27Å; K702-E704 IonicContact NZ-OE1 3.38Å; K702-E704 PolarHBondContact NZ-OE1 2.73Å; E704-R769 IonicContact OE2-CZ 2.73Å; E704-R769 IonicContact OE2-NE 3.39Å; E704-R769 PolarHBondContact OE2-NE 3.39Å; E704-R769 IonicContact OE2-NH2 3Å; E704-R769 PolarHBondContact OE2-NH2 2.9Å; E704-R769 VanDerWaalsContact OE2-NH2 3.08Å; E704-K869 VanDerWaalsContact CD-NZ 3.25Å; E704-K869 IonicContact OE1-NZ 3.58Å; E704-K869 PolarHBondContact OE1-NZ 3.14Å; E704-K869 IonicContact OE2-NZ 3.34Å; E704-K869 PolarHBondContact OE2-NZ 3.19Å
705Y89.1Confident76.4Confident4 Ų432.9 Ų32.92%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-127.1126.2171.3-172.7-103.7000109.2I187 L248 P249 I250 Y703 V707 L765 G767 I768 R769I187-Y705 HydrophobicContact CD1-CE2 4.12Å; L248-Y705 HydrophobicContact CB-CE1 4.27Å; L248-Y705 HydrophobicContact CD1-CE1 4.34Å; L248-Y705 HydrophobicContact CD1-CE2 4.24Å; L248-Y705 HydrophobicContact CD2-CE1 4.18Å; L248-Y705 HydrophobicContact CG-CE1 4.5Å; P249-Y705 PolarHBondContact O-OH 2.83Å; I250-Y705 HydrophobicContact CD1-CE2 4.28Å; Y703-Y705 WeakPolarHBondContact OH-CB 3.43Å; Y703-Y705 WeakPolarHBondContact OH-CD2 3.35Å; Y705-V707 HydrophobicContact CE1-CG2 4.07Å; Y705-L765 HydrophobicContact CE1-CD2 4.34Å; Y705-G767 CarbonylContact O-C 3.52Å; Y705-G767 WeakPolarHBondContact O-CA 3.4Å; Y705-I768 PolarHBondContact N-O 3.3Å; Y705-I768 PolarHBondContact O-N 3.2Å; Y705-R769 PolarHBondContact O-NH1 2.93Å
706N88.8Confident74.9Confident20 Ų2034.3 Ų34.311%0.10717%0.171CC..EExtended strand (participates in β ladder)trans-116.2139.4171-60.2-27.9000108.3I250 V708 R769I250-N706 VanDerWaalsContact CD1-O 3.26Å; I250-N706 WeakPolarHBondContact CD1-O 3.4Å; N706-V708 VanDerWaalsContact C-N 3.28Å; N706-V708 WeakPolarHBondContact CB-O 3.39Å; N706-R769 VanDerWaalsContact OD1-CZ 3.28Å; N706-R769 PolarHBondContact OD1-NH1 2.84Å; N706-R769 PolarHBondContact OD1-NH2 3.13Å
707V90.8Very high74.2Confident2 Ų234.5 Ų34.51%0.01217%0.174CC..SBendtrans-72.5-27175.7172.60000111.3P249 I250 R251 Y705 L723 L765 Y766P249-V707 HydrophobicContact CB-CG1 4.3Å; P249-V707 HydrophobicContact CG-CG1 4.24Å; P249-V707 HydrophobicContact CG-CG2 4.1Å; P249-V707 WeakPolarHBondContact O-CG2 3.34Å; I250-V707 CarbonylContact C-O 3.56Å; R251-V707 PolarHBondContact N-O 2.92Å; Y705-V707 HydrophobicContact CE1-CG2 4.07Å; V707-L723 HydrophobicContact CG1-CB 4.25Å; V707-L723 HydrophobicContact CG1-CD1 3.92Å; V707-L765 WeakPolarHBondContact CB-O 3.43Å; V707-L765 HydrophobicContact CG2-CB 3.93Å; V707-L765 HydrophobicContact CG2-CD2 3.7Å; V707-L765 HydrophobicContact CG2-CG 3.76Å; V707-L765 VanDerWaalsContact CG2-O 3.26Å; V707-L765 WeakPolarHBondContact CG2-O 3.41Å; V707-Y766 PolarHBondContact N-O 2.9Å
708V89.1Confident74Confident2 Ų235.4 Ų35.41%0.01218%0.178CC..SBendtrans-105.2116.6163.8-175.70000107.6M236 R251 N706 F710 T719 D721 L723M236-V708 HydrophobicContact CE-CG1 4.4Å; R251-V708 HydrophobicContact CG-CG2 3.98Å; N706-V708 VanDerWaalsContact C-N 3.28Å; N706-V708 WeakPolarHBondContact CB-O 3.39Å; V708-F710 PolarHBondContact O-N 2.87Å; V708-T719 VanDerWaalsContact CG1-OG1 3.25Å; V708-T719 WeakPolarHBondContact CG1-OG1 3.44Å; V708-D721 HydrophobicContact CG2-CB 3.91Å; V708-L723 VanDerWaalsContact CG2-C 3.47Å; V708-L723 HydrophobicContact CG2-CB 4.03Å
709P85.7Confident74.4Confident30 Ų3032.7 Ų32.720%0.19516%0.162CC..  trans-55.2136.1173.4-24.834.2000111.3A205 I250 R251A205-P709 HydrophobicContact CB-CG 3.94Å; I250-P709 HydrophobicContact CD1-CG 4.24Å; R251-P709 WeakPolarHBondContact O-CD 3.27Å; R251-P709 WeakPolarHBondContact O-CG 3.39Å
710F83Confident75.2Confident29 Ų2932.8 Ų32.813%0.12717%0.173CC..  trans-155134.8178.3176.6-107.8000109.2V708 E712 L715 T717 W718 W726 F732 P865V708-F710 PolarHBondContact O-N 2.87Å; F710-E712 HydrophobicContact CD1-CG 3.91Å; F710-E712 HydrophobicContact CE1-CB 4.44Å; F710-E712 HydrophobicContact CE1-CG 3.66Å; F710-L715 HydrophobicContact CZ-CD2 4.1Å; F710-T717 WeakPolarHBondContact CD2-OG1 3.32Å; F710-W718 HydrophobicContact CD2-CB 4.17Å; F710-W718 HydrophobicContact CE2-CB 3.78Å; F710-W726 AromaticContact CD1-CD1 3.25Å; F710-W726 HydrophobicContact CD1-CG 4.39Å; F710-W726 AromaticContact CD1-NE1 3.54Å; F710-W726 AromaticContact CE1-CD1 3.32Å; F710-W726 HydrophobicContact CE1-CG 4.19Å; F710-W726 AromaticContact CE1-NE1 3.54Å; F710-F732 HydrophobicContact CE1-CE1 4.35Å; F710-F732 AromaticContact CZ-CE1 3.87Å; F710-F732 HydrophobicContact CZ-CE1 3.87Å; F710-F732 HydrophobicContact CZ-CZ 4.41Å; F710-P865 HydrophobicContact CE1-CB 4.39Å; F710-P865 HydrophobicContact CE1-CG 3.96Å; F710-P865 HydrophobicContact CZ-CG 4.15Å
711E75.3Confident76.5Confident46 Ų4630 Ų3022%0.21516%0.161CC..BIsolated β-bridgetrans-108.7117.6179-67-178.4-162.500110H185 R207 N713 D714 T717H185-E711 IonicContact CE1-OE1 2.89Å; H185-E711 PolarHBondContact CE1-OE1 3.01Å; H185-E711 IonicContact ND1-OE1 2.73Å; R207-E711 IonicContact CZ-OE1 3.48Å; R207-E711 IonicContact CZ-OE2 3.4Å; R207-E711 VanDerWaalsContact CZ-OE2 3.25Å; R207-E711 IonicContact NE-OE1 3.76Å; R207-E711 IonicContact NH1-OE1 3.55Å; R207-E711 PolarHBondContact NH1-OE1 2.96Å; R207-E711 IonicContact NH1-OE2 2.72Å; R207-E711 PolarHBondContact NH1-OE2 2.9Å; R207-E711 IonicContact NH2-OE2 3.2Å; R207-E711 PolarHBondContact NH2-OE2 3.45Å; E711-N713 PolarHBondContact O-N 2.92Å; E711-D714 HydrophobicContact CB-CB 4.47Å; E711-D714 CarbonylContact O-C 3.58Å; E711-D714 PolarHBondContact O-N 2.72Å; E711-D714 VanDerWaalsContact O-O 3.11Å; E711-T717 HydrophobicContact CB-CG2 4.12Å; E711-T717 HydrophobicContact CG-CG2 4.36Å; E711-T717 PolarHBondContact N-OG1 3.04Å
712E72.9Confident78Confident33 Ų3330.6 Ų30.615%0.15416%0.159CC..THydrogen-bonded Turntrans-70.4-7-171.7-72.9168.8-171.300114.5F710 W726 P865 K869F710-E712 HydrophobicContact CD1-CG 3.91Å; F710-E712 HydrophobicContact CE1-CB 4.44Å; F710-E712 HydrophobicContact CE1-CG 3.66Å; E712-W726 PolarHBondContact OE1-NE1 3.13Å; E712-P865 HydrophobicContact CB-CG 4.08Å; E712-P865 HydrophobicContact CG-CB 4.08Å; E712-P865 HydrophobicContact CG-CG 4.05Å; E712-K869 WeakPolarHBondContact OE1-CE 3.46Å; E712-K869 IonicContact OE1-NZ 2.97Å; E712-K869 PolarHBondContact OE1-NZ 3.15Å; E712-K869 WeakPolarHBondContact OE2-CE 3.23Å; E712-K869 IonicContact OE2-NZ 3.61Å; E712-K869 PolarHBondContact OE2-NZ 3.38Å
713N58.1Low78.9Confident54 Ų5428.8 Ų28.829%0.28915%0.152SC..THydrogen-bonded Turntrans-87.5-31.2169.8-61.7-15.2000112.5E552 E711 R866E552-N713 PolarHBondContact OE2-ND2 2.91Å; E711-N713 PolarHBondContact O-N 2.92Å; N713-R866 PolarHBondContact OD1-NH1 2.75Å
714D65.9Low79.4Confident25 Ų2528.6 Ų28.613%0.13415%0.153CC..BIsolated β-bridgetrans-118.291-172.91773.6000109.6R207 E711 T716 T717R207-D714 IonicContact CZ-OD2 2.89Å; R207-D714 IonicContact NH2-OD2 3.82Å; R207-D714 PolarHBondContact NH2-OD2 2.8Å; E711-D714 HydrophobicContact CB-CB 4.47Å; E711-D714 CarbonylContact O-C 3.58Å; E711-D714 PolarHBondContact O-N 2.72Å; E711-D714 VanDerWaalsContact O-O 3.11Å; D714-T716 PolarHBondContact O-N 3.06Å; D714-T716 WeakPolarHBondContact OD1-CA 3.41Å; D714-T716 VanDerWaalsContact OD1-CB 3.26Å; D714-T716 WeakPolarHBondContact OD1-CB 3.12Å; D714-T716 WeakPolarHBondContact OD1-CG2 3.5Å; D714-T716 PolarHBondContact OD1-N 3.19Å; D714-T716 PolarHBondContact OD1-OG1 2.87Å; D714-T717 HydrophobicContact CB-CG2 4.06Å; D714-T717 WeakPolarHBondContact O-CB 3.37Å; D714-T717 PolarHBondContact O-N 2.86Å; D714-T717 PolarHBondContact O-OG1 3.11Å; D714-T717 WeakPolarHBondContact OD2-CG2 3.44Å
715L69.4Low79.6Confident13 Ų1326.3 Ų26.37%0.06814%0.142CC..G310 helixtrans-62.2-14.1179.4-51.8-165.9000113P264 F710 T717 W718 F732 P865P264-L715 HydrophobicContact CB-CD1 3.92Å; P264-L715 HydrophobicContact CB-CG 4.38Å; F710-L715 HydrophobicContact CZ-CD2 4.1Å; L715-T717 VanDerWaalsContact C-N 3.26Å; L715-T717 PolarHBondContact O-N 2.86Å; L715-W718 WeakPolarHBondContact O-CB 3.4Å; L715-W718 PolarHBondContact O-N 3.26Å; L715-W718 VanDerWaalsContact O-N 3.14Å; L715-F732 HydrophobicContact CD1-CE2 3.92Å; L715-F732 HydrophobicContact CD1-CZ 4.14Å; L715-F732 HydrophobicContact CD2-CE2 4.23Å; L715-F732 HydrophobicContact CD2-CZ 3.88Å; L715-F732 HydrophobicContact CG-CZ 4.47Å; L715-P865 HydrophobicContact CD2-CG 3.8Å
716T63.5Low79.5Confident29 Ų2926.3 Ų26.318%0.17814%0.142CC..G310 helixtrans-78.6-12.8176.884.10000112.7H210 V262 D714 W718H210-T716 PolarHBondContact CE1-OG1 2.94Å; H210-T716 PolarHBondContact ND1-OG1 3.07Å; V262-T716 HydrophobicContact CB-CG2 4.22Å; V262-T716 WeakPolarHBondContact O-CG2 3.33Å; D714-T716 PolarHBondContact O-N 3.06Å; D714-T716 WeakPolarHBondContact OD1-CA 3.41Å; D714-T716 VanDerWaalsContact OD1-CB 3.26Å; D714-T716 WeakPolarHBondContact OD1-CB 3.12Å; D714-T716 WeakPolarHBondContact OD1-CG2 3.5Å; D714-T716 PolarHBondContact OD1-N 3.19Å; D714-T716 PolarHBondContact OD1-OG1 2.87Å; T716-W718 PolarHBondContact O-N 2.75Å
717T71.4Confident78.8Confident25 Ų2526.4 Ų26.415%0.15314%0.143CC..G310 helixtrans-70.4-9.3164.265.20000113F710 E711 D714 L715 T719F710-T717 WeakPolarHBondContact CD2-OG1 3.32Å; E711-T717 HydrophobicContact CB-CG2 4.12Å; E711-T717 HydrophobicContact CG-CG2 4.36Å; E711-T717 PolarHBondContact N-OG1 3.04Å; D714-T717 HydrophobicContact CB-CG2 4.06Å; D714-T717 WeakPolarHBondContact O-CB 3.37Å; D714-T717 PolarHBondContact O-N 2.86Å; D714-T717 PolarHBondContact O-OG1 3.11Å; D714-T717 WeakPolarHBondContact OD2-CG2 3.44Å; L715-T717 VanDerWaalsContact C-N 3.26Å; L715-T717 PolarHBondContact O-N 2.86Å; T717-T719 PolarHBondContact O-N 3.01Å
718W77.1Confident78Confident50 Ų5028.2 Ų28.219%0.18915%0.153CC..  trans-65.9125.6175.8-174.684.3000111.2F710 L715 T716 G720 W726 P729 F796F710-W718 HydrophobicContact CD2-CB 4.17Å; F710-W718 HydrophobicContact CE2-CB 3.78Å; L715-W718 WeakPolarHBondContact O-CB 3.4Å; L715-W718 PolarHBondContact O-N 3.26Å; L715-W718 VanDerWaalsContact O-N 3.14Å; T716-W718 PolarHBondContact O-N 2.75Å; W718-G720 VanDerWaalsContact CH2-CA 3.42Å; W718-W726 PolarHBondContact NE1-O 2.9Å; W718-P729 HydrophobicContact CD2-CB 4.06Å; W718-P729 HydrophobicContact CD2-CG 4.08Å; W718-P729 HydrophobicContact CE3-CB 4.31Å; W718-P729 HydrophobicContact CE3-CG 3.99Å; W718-P729 HydrophobicContact CG-CB 4.22Å; W718-P729 HydrophobicContact CH2-CG 4.25Å; W718-P729 HydrophobicContact CZ2-CG 4.36Å; W718-P729 HydrophobicContact CZ3-CG 4.08Å; W718-F796 HydrophobicContact CH2-CB 3.95Å; W718-F796 HydrophobicContact CZ2-CB 3.88Å
719T72.9Confident77Confident24 Ų2430 Ų3015%0.14716%0.164CC..  trans-117.2139171.655.50000110.7V233 M236 V708 T717 D721 S724V233-T719 HydrophobicContact CB-CG2 4.21Å; V233-T719 HydrophobicContact CG1-CG2 4.42Å; V233-T719 HydrophobicContact CG2-CG2 4.41Å; M236-T719 HydrophobicContact CE-CG2 4.08Å; M236-T719 WeakPolarHBondContact CE-OG1 3.47Å; M236-T719 HydrophobicContact SD-CG2 4.2Å; V708-T719 VanDerWaalsContact CG1-OG1 3.25Å; V708-T719 WeakPolarHBondContact CG1-OG1 3.44Å; T717-T719 PolarHBondContact O-N 3.01Å; T719-D721 PolarHBondContact O-N 3.17Å; T719-S724 PolarHBondContact O-OG 3.4Å
720G74.8Confident76.2Confident40 Ų4035 Ų3541%0.41219%0.185SC..  trans-72.467.6175.300000112.9W718 F796W718-G720 VanDerWaalsContact CH2-CA 3.42Å; G720-F796 WeakPolarHBondContact O-CZ 3.36Å
721D85.1Confident75.8Confident13 Ų1338.9 Ų38.97%0.0720%0.204CC..  trans-111.6142176-171.3-69.8000110.2M236 R251 V708 T719 L723 S724M236-D721 HydrophobicContact CE-CB 4.04Å; R251-D721 IonicContact CZ-OD2 2.64Å; R251-D721 IonicContact NE-OD1 3.61Å; R251-D721 IonicContact NE-OD2 2.64Å; R251-D721 PolarHBondContact NE-OD2 3.47Å; R251-D721 IonicContact NH2-OD2 2.7Å; R251-D721 PolarHBondContact NH2-OD2 2.92Å; V708-D721 HydrophobicContact CG2-CB 3.91Å; T719-D721 PolarHBondContact O-N 3.17Å; D721-L723 PolarHBondContact O-N 3.25Å; D721-L723 VanDerWaalsContact O-N 3.13Å; D721-L723 PolarHBondContact OD1-N 2.62Å; D721-S724 VanDerWaalsContact O-CB 3.32Å; D721-S724 WeakPolarHBondContact O-CB 2.91Å; D721-S724 PolarHBondContact O-N 3.09Å; D721-S724 VanDerWaalsContact O-N 3.07Å; D721-S724 PolarHBondContact O-OG 3.04Å
722Y87.6Confident76.2Confident73 Ų7336.7 Ų36.729%0.28619%0.194SC..THydrogen-bonded Turntrans-60.5-21.3-180-77.1-73.3000113.9H758 E760 T761 Y766 L795 F796 D797Y722-H758 AromaticContact CD1-CE1 3.9Å; Y722-H758 AromaticContact CE1-CE1 3.59Å; Y722-E760 HydrophobicContact CD1-CB 4.02Å; Y722-E760 HydrophobicContact CD2-CB 4.25Å; Y722-E760 HydrophobicContact CD2-CG 4.48Å; Y722-E760 HydrophobicContact CE1-CB 4.33Å; Y722-E760 HydrophobicContact CE2-CG 4.42Å; Y722-E760 HydrophobicContact CG-CB 3.98Å; Y722-T761 VanDerWaalsContact O-CG2 3.24Å; Y722-T761 WeakPolarHBondContact O-CG2 3.49Å; Y722-Y766 WeakPolarHBondContact O-CE1 3.49Å; Y722-L795 HydrophobicContact CD1-CD1 3.82Å; Y722-L795 HydrophobicContact CE1-CD1 4.41Å; Y722-F796 AromaticContact CD1-CE1 3.76Å; Y722-F796 HydrophobicContact CD1-CE1 3.76Å; Y722-F796 HydrophobicContact CD1-CZ 4.48Å; Y722-F796 AromaticContact CD2-CE1 3.87Å; Y722-F796 HydrophobicContact CD2-CE1 3.87Å; Y722-F796 HydrophobicContact CD2-CZ 4.08Å; Y722-F796 AromaticContact CE1-CE1 3.83Å; Y722-F796 HydrophobicContact CE1-CE1 3.83Å; Y722-F796 HydrophobicContact CE1-CZ 4.18Å; Y722-F796 AromaticContact CE2-CE1 3.94Å; Y722-F796 HydrophobicContact CE2-CE1 3.94Å; Y722-F796 AromaticContact CE2-CZ 3.75Å; Y722-F796 HydrophobicContact CE2-CZ 3.75Å; Y722-F796 AromaticContact CG-CE1 3.78Å; Y722-F796 HydrophobicContact CG-CE1 3.78Å; Y722-F796 HydrophobicContact CG-CZ 4.43Å; Y722-F796 AromaticContact CZ-CE1 3.91Å; Y722-F796 AromaticContact CZ-CZ 3.8Å; Y722-D797 WeakPolarHBondContact CE1-OD2 3.2Å; Y722-D797 PolarHBondContact OH-OD2 2.85Å
723L89.7Confident76.9Confident22 Ų2237.1 Ų37.112%0.11519%0.194CC..THydrogen-bonded Turntrans-99.910.4178.7-54.7-177.4000113.4V707 V708 D721 W725 T761 K764 Y766V707-L723 HydrophobicContact CG1-CB 4.25Å; V707-L723 HydrophobicContact CG1-CD1 3.92Å; V708-L723 VanDerWaalsContact CG2-C 3.47Å; V708-L723 HydrophobicContact CG2-CB 4.03Å; D721-L723 PolarHBondContact O-N 3.25Å; D721-L723 VanDerWaalsContact O-N 3.13Å; D721-L723 PolarHBondContact OD1-N 2.62Å; L723-W725 PolarHBondContact O-N 3.07Å; L723-T761 HydrophobicContact CD2-CG2 4.43Å; L723-K764 HydrophobicContact CD1-CB 4.31Å; L723-K764 HydrophobicContact CD1-CD 4.47Å; L723-K764 HydrophobicContact CD2-CB 3.63Å; L723-K764 HydrophobicContact CD2-CD 4.12Å; L723-Y766 WeakPolarHBondContact O-CD1 3.28Å
724S89.9Confident78.4Confident8 Ų834.6 Ų34.66%0.05618%0.181CC..  trans-63.2131.1173.4-74.70000111.4T719 D721 W726T719-S724 PolarHBondContact O-OG 3.4Å; D721-S724 VanDerWaalsContact O-CB 3.32Å; D721-S724 WeakPolarHBondContact O-CB 2.91Å; D721-S724 PolarHBondContact O-N 3.09Å; D721-S724 VanDerWaalsContact O-N 3.07Å; D721-S724 PolarHBondContact O-OG 3.04Å; S724-W726 WeakPolarHBondContact CB-O 3.39Å; S724-W726 PolarHBondContact O-N 3.06Å
725W90.9Very high79.6Confident10 Ų1033.5 Ų33.54%0.03818%0.175CC..SBendtrans-59.9-36.7176.6-173.1-94000111.5L723 N753 R769 E788 K790L723-W725 PolarHBondContact O-N 3.07Å; W725-N753 HydrophobicContact CH2-CB 4.16Å; W725-N753 WeakPolarHBondContact CH2-ND2 3.46Å; W725-N753 HydrophobicContact CZ3-CB 3.77Å; W725-R769 HydrophobicContact CH2-CG 3.72Å; W725-R769 HydrophobicContact CZ2-CG 3.97Å; W725-E788 HydrophobicContact CZ2-CG 4.18Å; W725-E788 WeakPolarHBondContact CZ2-OE1 3.29Å; W725-E788 PolarHBondContact NE1-OE1 2.93Å; W725-K790 HydrophobicContact CD2-CD 4.2Å; W725-K790 HydrophobicContact CE3-CB 4.29Å; W725-K790 HydrophobicContact CE3-CD 4.32Å; W725-K790 HydrophobicContact CG-CD 4.4Å; W725-K790 HydrophobicContact CH2-CB 4.1Å; W725-K790 HydrophobicContact CZ2-CB 4.36Å; W725-K790 HydrophobicContact CZ3-CB 4.06Å; W725-K790 WeakPolarHBondContact O-CD 3.32Å; W725-K790 WeakPolarHBondContact O-CE 3.42Å; W725-K790 PolarHBondContact O-NZ 2.77Å
726W87.4Confident80.7Confident4 Ų433 Ų332%0.01517%0.172CC..SBendtrans-105110.7175.2-55.8105.1000109.4F710 E712 W718 S724 F732 R733 A734 P865 K869F710-W726 AromaticContact CD1-CD1 3.25Å; F710-W726 HydrophobicContact CD1-CG 4.39Å; F710-W726 AromaticContact CD1-NE1 3.54Å; F710-W726 AromaticContact CE1-CD1 3.32Å; F710-W726 HydrophobicContact CE1-CG 4.19Å; F710-W726 AromaticContact CE1-NE1 3.54Å; E712-W726 PolarHBondContact OE1-NE1 3.13Å; W718-W726 PolarHBondContact NE1-O 2.9Å; S724-W726 WeakPolarHBondContact CB-O 3.39Å; S724-W726 PolarHBondContact O-N 3.06Å; W726-F732 HydrophobicContact CB-CD1 3.72Å; W726-F732 HydrophobicContact CB-CE1 3.91Å; W726-F732 HydrophobicContact CD2-CB 4.47Å; W726-F732 AromaticContact CD2-CD1 3.7Å; W726-F732 HydrophobicContact CD2-CD1 3.7Å; W726-F732 HydrophobicContact CE3-CB 3.71Å; W726-F732 AromaticContact CE3-CD1 3.74Å; W726-F732 HydrophobicContact CE3-CD1 3.74Å; W726-F732 HydrophobicContact CE3-CG 4.22Å; W726-F732 AromaticContact CG-CD1 3.72Å; W726-F732 HydrophobicContact CG-CD1 3.72Å; W726-F732 HydrophobicContact CG-CE1 4.14Å; W726-F732 HydrophobicContact CZ3-CB 3.72Å; W726-F732 HydrophobicContact CZ3-CD1 4.46Å; W726-R733 VanDerWaalsContact CZ3-C 3.45Å; W726-R733 VanDerWaalsContact CZ3-O 3.28Å; W726-R733 WeakPolarHBondContact CZ3-O 3.44Å; W726-A734 HydrophobicContact CH2-CB 4.04Å; W726-A734 HydrophobicContact CZ3-CB 4.37Å; W726-P865 HydrophobicContact CD2-CB 4.11Å; W726-P865 HydrophobicContact CE3-CB 4.4Å; W726-P865 HydrophobicContact CH2-CB 3.77Å; W726-P865 HydrophobicContact CZ2-CB 3.46Å; W726-P865 VanDerWaalsContact CZ2-CB 3.46Å; W726-P865 HydrophobicContact CZ3-CB 4.23Å; W726-K869 HydrophobicContact CH2-CG 4.16Å; W726-K869 HydrophobicContact CZ2-CG 4.3Å
727P75.1Confident82.1Confident22 Ų2231.6 Ų31.614%0.14316%0.163CC..  trans-84-21.7-172.930.6-34.2000114.4M794 L795 F796P727-M794 WeakPolarHBondContact CB-O 3.36Å; P727-M794 WeakPolarHBondContact CG-O 3.22Å; P727-L795 HydrophobicContact CB-CD2 4.1Å; P727-F796 WeakPolarHBondContact O-CA 3.48Å; P727-F796 VanDerWaalsContact O-CB 3.25Å; P727-F796 WeakPolarHBondContact O-CB 3.17Å; P727-F796 PolarHBondContact O-N 2.73Å
728N73.9Confident83.1Confident40 Ų4030.4 Ų30.421%0.21416%0.156CC..  trans-131.4119.2-177.3-178.42000109.9Q730 E731N728-Q730 PolarHBondContact O-N 2.94Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.49Å; N728-Q730 PolarHBondContact OD1-N 3.24Å; N728-E731 HydrophobicContact CB-CB 4.45Å; N728-E731 CarbonylContact O-C 3.6Å; N728-E731 PolarHBondContact O-N 2.93Å; N728-E731 VanDerWaalsContact O-N 3.15Å
729P67.9Low83.9Confident39 Ų3928 Ų2825%0.25315%0.147SC..THydrogen-bonded Turntrans-73.3-4.5177.931.9-35.9000113.7W718 F732W718-P729 HydrophobicContact CD2-CB 4.06Å; W718-P729 HydrophobicContact CD2-CG 4.08Å; W718-P729 HydrophobicContact CE3-CB 4.31Å; W718-P729 HydrophobicContact CE3-CG 3.99Å; W718-P729 HydrophobicContact CG-CB 4.22Å; W718-P729 HydrophobicContact CH2-CG 4.25Å; W718-P729 HydrophobicContact CZ2-CG 4.36Å; W718-P729 HydrophobicContact CZ3-CG 4.08Å; P729-F732 HydrophobicContact CB-CZ 4.25Å; P729-F732 WeakPolarHBondContact O-CE2 3.2Å
730Q68.2Low84.9Confident135 Ų13528 Ų2863%0.63115%0.145SC*.THydrogen-bonded Turntrans-99.6-10.7169.6-63.3-173.9-20.600113.3N728 Q863N728-Q730 PolarHBondContact O-N 2.94Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.49Å; N728-Q730 PolarHBondContact OD1-N 3.24Å; Q730-Q863 PolarHBondContact O-NE2 3.45Å; Q730-Q863 PolarHBondContact O-OE1 2.82Å
731E74.3Confident85.8Confident112 Ų11226.1 Ų26.152%0.52313%0.125SC..  trans-145.884.3179-72.6-161.9170.100111.3N728 R733 T861N728-E731 HydrophobicContact CB-CB 4.45Å; N728-E731 CarbonylContact O-C 3.6Å; N728-E731 PolarHBondContact O-N 2.93Å; N728-E731 VanDerWaalsContact O-N 3.15Å; E731-R733 PolarHBondContact O-N 3.09Å; E731-R733 VanDerWaalsContact O-N 3.17Å; E731-T861 HydrophobicContact CB-CG2 3.7Å; E731-T861 HydrophobicContact CG-CG2 4.03Å
732F83.8Confident86.1Confident0 Ų029.9 Ų29.90%014%0.142CC..EExtended strand (participates in β ladder)trans-77.3100.2173.9-61.8-85.2000109.7F710 L715 W726 P729 D862 Q863 P865 A868F710-F732 HydrophobicContact CE1-CE1 4.35Å; F710-F732 AromaticContact CZ-CE1 3.87Å; F710-F732 HydrophobicContact CZ-CE1 3.87Å; F710-F732 HydrophobicContact CZ-CZ 4.41Å; L715-F732 HydrophobicContact CD1-CE2 3.92Å; L715-F732 HydrophobicContact CD1-CZ 4.14Å; L715-F732 HydrophobicContact CD2-CE2 4.23Å; L715-F732 HydrophobicContact CD2-CZ 3.88Å; L715-F732 HydrophobicContact CG-CZ 4.47Å; W726-F732 HydrophobicContact CB-CD1 3.72Å; W726-F732 HydrophobicContact CB-CE1 3.91Å; W726-F732 HydrophobicContact CD2-CB 4.47Å; W726-F732 AromaticContact CD2-CD1 3.7Å; W726-F732 HydrophobicContact CD2-CD1 3.7Å; W726-F732 HydrophobicContact CE3-CB 3.71Å; W726-F732 AromaticContact CE3-CD1 3.74Å; W726-F732 HydrophobicContact CE3-CD1 3.74Å; W726-F732 HydrophobicContact CE3-CG 4.22Å; W726-F732 AromaticContact CG-CD1 3.72Å; W726-F732 HydrophobicContact CG-CD1 3.72Å; W726-F732 HydrophobicContact CG-CE1 4.14Å; W726-F732 HydrophobicContact CZ3-CB 3.72Å; W726-F732 HydrophobicContact CZ3-CD1 4.46Å; P729-F732 HydrophobicContact CB-CZ 4.25Å; P729-F732 WeakPolarHBondContact O-CE2 3.2Å; F732-D862 WeakPolarHBondContact CB-O 3.31Å; F732-D862 PolarHBondContact N-O 3.34Å; F732-D862 PolarHBondContact O-N 3.44Å; F732-Q863 WeakPolarHBondContact CD2-O 3.29Å; F732-Q863 WeakPolarHBondContact CE2-O 3.32Å; F732-P865 HydrophobicContact CB-CB 3.91Å; F732-P865 HydrophobicContact CD1-CB 3.6Å; F732-P865 HydrophobicContact CD1-CG 3.89Å; F732-P865 HydrophobicContact CE1-CB 4.25Å; F732-P865 HydrophobicContact CE1-CG 4.06Å; F732-P865 HydrophobicContact CG-CB 3.79Å; F732-P865 HydrophobicContact CG-CG 4.13Å; F732-P865 HydrophobicContact CZ-CG 4.44Å; F732-A868 VanDerWaalsContact O-CB 3.27Å; F732-A868 WeakPolarHBondContact O-CB 3.46Å
733R87.4Confident86.1Confident42 Ų4227 Ų2716%0.15813%0.134CC..EExtended strand (participates in β ladder)trans-94.7114.5176.4-166.8-174.5175.9179.57.4112W726 E731 C791 S792 V848 D849 V860 T861W726-R733 VanDerWaalsContact CZ3-C 3.45Å; W726-R733 VanDerWaalsContact CZ3-O 3.28Å; W726-R733 WeakPolarHBondContact CZ3-O 3.44Å; E731-R733 PolarHBondContact O-N 3.09Å; E731-R733 VanDerWaalsContact O-N 3.17Å; R733-C791 VanDerWaalsContact C-SG 3.54Å; R733-C791 HydrophobicContact CB-CB 4.36Å; R733-C791 HydrophobicContact CG-CB 4.12Å; R733-C791 PolarHBondContact O-SG 2.76Å; R733-S792 PolarHBondContact NH1-O 3.48Å; R733-S792 VanDerWaalsContact NH1-O 3.16Å; R733-V848 VanDerWaalsContact CZ-O 3.26Å; R733-V848 PolarHBondContact NH1-O 2.87Å; R733-V848 PolarHBondContact NH2-O 3.33Å; R733-D849 PolarHBondContact NH2-O 2.84Å; R733-V860 CarbonylContact C-O 3.49Å; R733-V860 VanDerWaalsContact CA-O 3.27Å; R733-V860 WeakPolarHBondContact CA-O 3.39Å; R733-T861 HydrophobicContact CB-CG2 4.42Å; R733-T861 WeakPolarHBondContact CG-OG1 3.33Å
734A89.8Confident85.6Confident1 Ų131.5 Ų31.51%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-95.8142.6175.700000111.1W726 T859 V860 A868 K869 A872W726-A734 HydrophobicContact CH2-CB 4.04Å; W726-A734 HydrophobicContact CZ3-CB 4.37Å; A734-T859 VanDerWaalsContact O-CA 3.27Å; A734-T859 WeakPolarHBondContact O-CA 3.17Å; A734-V860 PolarHBondContact N-O 2.93Å; A734-V860 PolarHBondContact O-N 2.94Å; A734-V860 VanDerWaalsContact O-N 3.11Å; A734-A868 VanDerWaalsContact CB-C 3.47Å; A734-A868 HydrophobicContact CB-CB 3.81Å; A734-A868 WeakPolarHBondContact CB-O 3.37Å; A734-K869 HydrophobicContact CB-CG 4.09Å; A734-A872 HydrophobicContact CB-CB 4.09Å
735C91.8Very high85.2Confident1 Ų137.9 Ų37.91%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-135.2133.1178.3-66.10000111.8E788 F789 C791 Y858 T859C735-E788 WeakPolarHBondContact O-CA 3.29Å; C735-F789 HydrophobicContact CB-CD1 4.22Å; C735-F789 HydrophobicContact CB-CD2 3.63Å; C735-F789 HydrophobicContact CB-CE1 3.93Å; C735-F789 HydrophobicContact CB-CE2 3.3Å; C735-F789 HydrophobicContact CB-CG 4.11Å; C735-F789 HydrophobicContact CB-CZ 3.49Å; C735-F789 VanDerWaalsContact CB-CZ 3.49Å; C735-F789 PolarHBondContact O-N 3.05Å; C735-C791 HydrophobicContact CB-CB 4.26Å; C735-C791 WeakPolarHBondContact CB-SG 3.31Å; C735-C791 PolarHBondContact N-SG 3.46Å; C735-C791 VanDerWaalsContact SG-CA 3.57Å; C735-C791 WeakPolarHBondContact SG-CB 3.33Å; C735-C791 CovalentContact SG-SG 2.02Å; C735-C791 PolarHBondContact SG-SG 2.87Å; C735-Y858 CarbonylContact C-O 3.54Å; C735-Y858 WeakPolarHBondContact CA-O 3.4Å; C735-T859 HydrophobicContact CB-CG2 4.29Å; C735-T859 VanDerWaalsContact SG-CG2 3.53Å
736F92.4Very high84.8Confident3 Ų340.2 Ų40.21%0.01319%0.193CC..EExtended strand (participates in β ladder)trans-127.5144.9176.5-77.2-100.4000111.5C786 V787 E788 I857 Y858 K869 A872 I873 C876F736-C786 HydrophobicContact CD1-CB 4.15Å; F736-V787 CarbonylContact C-O 3.56Å; F736-V787 VanDerWaalsContact CA-O 3.31Å; F736-V787 WeakPolarHBondContact CA-O 3.4Å; F736-E788 HydrophobicContact CD1-CB 4.23Å; F736-E788 HydrophobicContact CE1-CB 3.8Å; F736-E788 HydrophobicContact CE1-CG 4.39Å; F736-E788 HydrophobicContact CE2-CB 4.38Å; F736-E788 HydrophobicContact CE2-CG 4.08Å; F736-E788 HydrophobicContact CZ-CB 3.88Å; F736-E788 HydrophobicContact CZ-CG 3.98Å; F736-I857 CarbonylContact O-C 3.45Å; F736-I857 WeakPolarHBondContact O-CA 3.42Å; F736-Y858 PolarHBondContact N-O 2.84Å; F736-Y858 PolarHBondContact O-N 2.83Å; F736-K869 HydrophobicContact CE2-CB 4.3Å; F736-K869 HydrophobicContact CE2-CG 4.36Å; F736-A872 HydrophobicContact CD2-CB 3.62Å; F736-A872 HydrophobicContact CE2-CB 4.03Å; F736-I873 HydrophobicContact CD1-CB 4.38Å; F736-I873 HydrophobicContact CD1-CG1 4.21Å; F736-I873 HydrophobicContact CE1-CB 3.98Å; F736-I873 HydrophobicContact CE1-CD1 3.86Å; F736-I873 HydrophobicContact CE1-CG1 3.85Å; F736-I873 HydrophobicContact CE2-CB 4.18Å; F736-I873 HydrophobicContact CZ-CB 3.88Å; F736-I873 HydrophobicContact CZ-CD1 4.24Å; F736-I873 HydrophobicContact CZ-CG1 4.23Å; F736-C876 HydrophobicContact CB-CB 4.17Å
737I92.5Very high84.8Confident0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-117.2134.9171.2-171.1167.8000110.6V739 V787 F789 V808 M844 I857 A895 L896I737-V739 HydrophobicContact CG2-CG2 4.48Å; I737-V787 HydrophobicContact CG2-CB 4.09Å; I737-V787 PolarHBondContact N-O 2.78Å; I737-V787 PolarHBondContact O-N 2.92Å; I737-F789 HydrophobicContact CB-CD1 3.98Å; I737-F789 HydrophobicContact CB-CE1 3.83Å; I737-F789 HydrophobicContact CG2-CD1 4Å; I737-F789 HydrophobicContact CG2-CE1 4.36Å; I737-V808 HydrophobicContact CG2-CG2 4.13Å; I737-M844 HydrophobicContact CD1-CE 4.11Å; I737-I857 HydrophobicContact CD1-CG1 4.45Å; I737-I857 HydrophobicContact CG1-CG1 4.26Å; I737-A895 HydrophobicContact CD1-CB 3.85Å; I737-A895 HydrophobicContact CG1-CB 3.51Å; I737-L896 HydrophobicContact CD1-CD1 3.79Å; I737-L896 HydrophobicContact CD1-CG 4.16Å
738K93.2Very high85.5Confident0 Ų042.3 Ų42.30%020%0.203CC..EExtended strand (participates in β ladder)trans-93.8123.6-179.6-162.9173.7-165.51650112.2G856 Y858 C876 F877 K889 Y892 G893 V894 A895 L896K738-G856 PolarHBondContact N-O 2.85Å; K738-Y858 HydrophobicContact CB-CE2 4.04Å; K738-C876 VanDerWaalsContact CD-O 3.3Å; K738-C876 WeakPolarHBondContact CD-O 3.31Å; K738-C876 WeakPolarHBondContact CE-O 3.42Å; K738-C876 PolarHBondContact NZ-O 2.66Å; K738-F877 PolarHBondContact NZ-O 2.87Å; K738-K889 WeakPolarHBondContact CE-O 3.05Å; K738-K889 PolarHBondContact NZ-O 3Å; K738-Y892 WeakPolarHBondContact CD-O 3.35Å; K738-Y892 WeakPolarHBondContact CE-O 3.32Å; K738-Y892 PolarHBondContact NZ-O 3.04Å; K738-G893 WeakPolarHBondContact CB-O 3.43Å; K738-G893 WeakPolarHBondContact CD-O 3.32Å; K738-V894 HydrophobicContact CD-CG2 4.42Å; K738-A895 WeakPolarHBondContact O-CB 3.19Å; K738-A895 PolarHBondContact O-N 2.65Å; K738-L896 PolarHBondContact O-N 2.88Å
739V93.8Very high86.3Confident0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-121.7116.7-175.1-173.20000109.8I737 I741 A784 A785 V787 V808 L896 F898I737-V739 HydrophobicContact CG2-CG2 4.48Å; V739-I741 HydrophobicContact CG1-CG1 4.27Å; V739-A784 CarbonylContact O-C 3.44Å; V739-A784 VanDerWaalsContact O-CA 3.3Å; V739-A784 WeakPolarHBondContact O-CA 3.38Å; V739-A785 PolarHBondContact N-O 2.81Å; V739-A785 PolarHBondContact O-N 2.96Å; V739-V787 HydrophobicContact CG2-CG2 4.1Å; V739-V808 HydrophobicContact CG2-CG1 4.13Å; V739-L896 CarbonylContact C-O 3.51Å; V739-L896 WeakPolarHBondContact CA-O 3.05Å; V739-L896 HydrophobicContact CG1-CB 4.3Å; V739-L896 HydrophobicContact CG2-CB 4.41Å; V739-L896 HydrophobicContact CG2-CD1 4.38Å; V739-F898 HydrophobicContact CG1-CD2 3.62Å; V739-F898 HydrophobicContact CG1-CE2 3.91Å
740K93.6Very high87.5Confident24 Ų2439.8 Ų39.810%0.10419%0.185CC..EExtended strand (participates in β ladder)trans-87.2136.8170.4-176161.3175.6142.10109.7E779 T782 S890 D891 V894 L896 T897 F898K740-E779 WeakPolarHBondContact CE-OE2 3.42Å; K740-E779 IonicContact NZ-OE1 2.92Å; K740-E779 IonicContact NZ-OE2 2.77Å; K740-E779 PolarHBondContact NZ-OE2 2.02Å; K740-T782 HydrophobicContact CD-CG2 4.26Å; K740-T782 VanDerWaalsContact CE-CG2 3.47Å; K740-T782 HydrophobicContact CG-CG2 4.26Å; K740-S890 PolarHBondContact NZ-OG 2.9Å; K740-D891 IonicContact NZ-OD1 2.9Å; K740-D891 PolarHBondContact NZ-OD1 3.28Å; K740-D891 IonicContact NZ-OD2 3.66Å; K740-V894 HydrophobicContact CB-CG1 3.81Å; K740-V894 HydrophobicContact CB-CG2 4.2Å; K740-L896 PolarHBondContact N-O 2.96Å; K740-T897 HydrophobicContact CB-CG2 4.35Å; K740-T897 HydrophobicContact CG-CG2 4.48Å; K740-T897 CarbonylContact O-C 3.58Å; K740-T897 WeakPolarHBondContact O-CA 3.44Å; K740-F898 PolarHBondContact O-N 2.85Å
741I92.9Very high88.8Confident0 Ų033.3 Ų33.30%016%0.155CC..EExtended strand (participates in β ladder)trans-126.7119.6-178.4-56.9-177.5000108.9V739 V747 V749 S783 F898 C900V739-I741 HydrophobicContact CG1-CG1 4.27Å; I741-V747 HydrophobicContact CD1-CB 4.14Å; I741-V747 HydrophobicContact CG2-CG2 4.43Å; I741-V749 HydrophobicContact CD1-CG2 3.6Å; I741-S783 PolarHBondContact N-O 2.86Å; I741-S783 PolarHBondContact O-N 3.36Å; I741-F898 WeakPolarHBondContact CA-O 3.26Å; I741-C900 HydrophobicContact CG2-CB 4.01Å; I741-C900 WeakPolarHBondContact CG2-SG 3.48Å
742H92.7Very high89.8Confident92 Ų9234 Ų3443%0.42615%0.153SC..EExtended strand (participates in β ladder)trans-96.1112.1174.8-168.668.2000110.1N781 F898 C900H742-N781 CarbonylContact C-O 3.58Å; H742-N781 WeakPolarHBondContact CA-O 3.41Å; H742-N781 PolarHBondContact ND1-O 2.74Å; H742-F898 PolarHBondContact N-O 2.72Å; H742-C900 PolarHBondContact O-N 3.14Å
743G86.6Confident90.3Very high11 Ų1134 Ų3411%0.11315%0.153CC..SBendtrans176.4160.2-173.800000112.5N781G743-N781 PolarHBondContact N-O 2.97Å; G743-N781 CarbonylContact O-C 3.58Å; G743-N781 VanDerWaalsContact O-C 3.3Å; G743-N781 WeakPolarHBondContact O-CA 3.49Å; G743-N781 VanDerWaalsContact O-O 3.07Å
744Q79.7Confident90.7Very high118 Ų11833.4 Ų33.455%0.55115%0.153SC*.SBendtrans-81.1-14.1-175.7-55.6-160.4-59.900114.3
745K80.9Confident90.7Very high141 Ų14133.4 Ų33.461%0.61315%0.153SC*.SBendtrans-125.8150.4-177.3-75.3174176.6149.10110.2E902K745-E902 VanDerWaalsContact CD-OE1 3.29Å; K745-E902 WeakPolarHBondContact CD-OE1 3.22Å; K745-E902 WeakPolarHBondContact CE-OE1 3.38Å; K745-E902 IonicContact NZ-OE1 3.48Å; K745-E902 PolarHBondContact NZ-OE1 3.1Å
746E83.4Confident90.4Very high59 Ų5934.1 Ų34.128%0.27616%0.161SC..  trans-67.6146.9171.2-59.7-174.3149.500110.3K700 R772 S773 R775K700-E746 IonicContact NZ-OE1 3.53Å; K700-E746 PolarHBondContact NZ-OE1 2.79Å; E746-R772 HydrophobicContact CB-CG 3.97Å; E746-R772 VanDerWaalsContact OE2-CD 3.22Å; E746-R772 WeakPolarHBondContact OE2-CD 3.42Å; E746-R772 IonicContact OE2-NH1 3.99Å; E746-S773 WeakPolarHBondContact CB-O 3.32Å; E746-S773 VanDerWaalsContact CG-O 3.3Å; E746-S773 WeakPolarHBondContact CG-O 3.2Å; E746-R775 HydrophobicContact CG-CB 4.23Å; E746-R775 PolarHBondContact OE1-N 2.97Å; E746-R775 VanDerWaalsContact OE1-N 3.12Å
747V88.1Confident90.2Very high18 Ų1836.1 Ų36.111%0.10917%0.173CC..  trans-132.3138.2-174.5-178.30000109I741 S773 P810 C900I741-V747 HydrophobicContact CD1-CB 4.14Å; I741-V747 HydrophobicContact CG2-CG2 4.43Å; V747-S773 PolarHBondContact N-OG 3.44Å; V747-S773 PolarHBondContact O-N 2.86Å; V747-S773 PolarHBondContact O-OG 3.07Å; V747-P810 HydrophobicContact CG1-CB 4.2Å; V747-C900 HydrophobicContact CG2-CB 4.2Å
748M88.4Confident90Very high52 Ų5236.6 Ų36.626%0.25618%0.175SC..EExtended strand (participates in β ladder)trans-71.6130.3171.3-59.8-64.1-59.900109.4D701 D770 I771 R772 Q811D701-M748 HydrophobicContact CB-CE 4.31Å; D701-M748 HydrophobicContact CB-SD 4.21Å; D701-M748 WeakPolarHBondContact O-CE 3.29Å; M748-D770 HydrophobicContact CE-CB 3.79Å; M748-I771 CarbonylContact C-O 3.54Å; M748-I771 WeakPolarHBondContact CA-O 3.26Å; M748-R772 HydrophobicContact SD-CB 3.6Å; M748-R772 HydrophobicContact SD-CG 3.93Å; M748-Q811 HydrophobicContact CB-CB 4.08Å; M748-Q811 HydrophobicContact CB-CG 4.06Å; M748-Q811 WeakPolarHBondContact O-CB 3.36Å; M748-Q811 WeakPolarHBondContact O-CG 3.24Å; M748-Q811 PolarHBondContact O-N 2.9Å
749V91.8Very high89.7Confident0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-108.3119.4172.9-1670000109.2I741 D770 I771 A785 V787 V808I741-V749 HydrophobicContact CD1-CG2 3.6Å; V749-D770 WeakPolarHBondContact O-CA 2.93Å; V749-I771 PolarHBondContact N-O 3.32Å; V749-I771 PolarHBondContact O-N 3.46Å; V749-I771 VanDerWaalsContact O-N 3.17Å; V749-A785 HydrophobicContact CB-CB 4.44Å; V749-A785 HydrophobicContact CG2-CB 3.83Å; V749-V787 HydrophobicContact CB-CG2 3.83Å; V749-V787 HydrophobicContact CG1-CG2 3.72Å; V749-V808 HydrophobicContact CG1-CG1 3.74Å
750R93.3Very high89.5Confident26 Ų2645 Ų4510%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-93.1135.6178.5179.2160.8-73.2179.3-2110.5D192 I768 R769 D770 V808 I809 Q811D192-R750 IonicContact OD1-CZ 3.86Å; D192-R750 IonicContact OD1-NH1 2.72Å; D192-R750 PolarHBondContact OD1-NH1 3.43Å; D192-R750 IonicContact OD1-NH2 3.87Å; D192-R750 PolarHBondContact OD1-NH2 3.47Å; D192-R750 IonicContact OD2-CZ 2.67Å; D192-R750 IonicContact OD2-NH1 3.01Å; D192-R750 PolarHBondContact OD2-NH1 3.44Å; D192-R750 IonicContact OD2-NH2 3.69Å; R750-I768 HydrophobicContact CG-CG2 3.83Å; R750-R769 CarbonylContact C-O 3.44Å; R750-R769 WeakPolarHBondContact CA-O 3.45Å; R750-D770 VanDerWaalsContact CA-OD1 3.31Å; R750-D770 WeakPolarHBondContact CA-OD1 3.19Å; R750-D770 WeakPolarHBondContact CB-OD1 3.44Å; R750-D770 WeakPolarHBondContact CG-OD1 3.34Å; R750-D770 IonicContact CZ-OD1 3.49Å; R750-D770 IonicContact CZ-OD2 2.9Å; R750-D770 IonicContact NE-OD1 3.56Å; R750-D770 PolarHBondContact NE-OD1 2.84Å; R750-D770 IonicContact NE-OD2 3.15Å; R750-D770 PolarHBondContact NE-OD2 2.72Å; R750-D770 IonicContact NH2-OD1 2.85Å; R750-D770 IonicContact NH2-OD2 3.32Å; R750-D770 PolarHBondContact NH2-OD2 2.74Å; R750-V808 CarbonylContact O-C 3.53Å; R750-V808 WeakPolarHBondContact O-CA 3.23Å; R750-I809 HydrophobicContact CB-CB 4.48Å; R750-I809 WeakPolarHBondContact CB-O 3.32Å; R750-I809 PolarHBondContact N-O 3.25Å; R750-I809 PolarHBondContact O-N 3.28Å; R750-Q811 HydrophobicContact CB-CG 4.25Å
751S95Very high89.3Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-115.7119169.5152.70000107.5N753 I768 R769 V787 E788 S807S751-N753 PolarHBondContact O-ND2 3.33Å; S751-N753 PolarHBondContact OG-ND2 3.39Å; S751-I768 CarbonylContact O-C 3.54Å; S751-I768 VanDerWaalsContact O-CA 3.31Å; S751-I768 WeakPolarHBondContact O-CA 3.42Å; S751-R769 PolarHBondContact N-O 3.19Å; S751-R769 PolarHBondContact O-N 3.07Å; S751-V787 VanDerWaalsContact CB-CG1 3.44Å; S751-E788 VanDerWaalsContact CB-O 3.25Å; S751-E788 WeakPolarHBondContact CB-O 3.48Å; S751-E788 PolarHBondContact OG-O 3.06Å; S751-S807 WeakPolarHBondContact CA-O 3.49Å
752R94.4Very high89.3Confident126 Ų12652.7 Ų52.748%0.47526%0.257SS..EExtended strand (participates in β ladder)trans-111.3129.7177.5-178.2-178.9-179.1179.21108.9L765 I806 S807R752-L765 HydrophobicContact CG-CD1 4.05Å; R752-I806 WeakPolarHBondContact O-CA 3.13Å; R752-S807 PolarHBondContact N-O 3.4Å; R752-S807 PolarHBondContact O-N 3.1Å
753N95.3Very high89.1Confident0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-127.2119.2-164.4-58.8-96.7000110.6W725 S751 L765 Y766 G767 F789 K790W725-N753 HydrophobicContact CH2-CB 4.16Å; W725-N753 WeakPolarHBondContact CH2-ND2 3.46Å; W725-N753 HydrophobicContact CZ3-CB 3.77Å; S751-N753 PolarHBondContact O-ND2 3.33Å; S751-N753 PolarHBondContact OG-ND2 3.39Å; N753-L765 WeakPolarHBondContact O-CD1 3.26Å; N753-Y766 PolarHBondContact O-N 3Å; N753-G767 PolarHBondContact N-O 2.84Å; N753-G767 PolarHBondContact ND2-O 2.98Å; N753-F789 WeakPolarHBondContact OD1-CA 3.45Å; N753-F789 WeakPolarHBondContact OD1-CB 3.4Å; N753-K790 HydrophobicContact CB-CB 3.84Å; N753-K790 PolarHBondContact OD1-N 2.96Å
754L94.3Very high89.4Confident29 Ų2954.7 Ų54.715%0.15228%0.278CS..EExtended strand (participates in β ladder)trans-119.8155.2-177.4-56.5170.4000110.3K764 L765 S804 L805L754-K764 CarbonylContact C-O 3.57Å; L754-K764 WeakPolarHBondContact CA-O 3.48Å; L754-L765 HydrophobicContact CD2-CB 4.22Å; L754-L765 HydrophobicContact CD2-CD1 3.85Å; L754-S804 CarbonylContact O-C 3.54Å; L754-S804 WeakPolarHBondContact O-CA 3.34Å; L754-L805 HydrophobicContact CB-CB 4.31Å; L754-L805 HydrophobicContact CD1-CD2 4.21Å; L754-L805 PolarHBondContact N-O 2.91Å; L754-L805 PolarHBondContact O-N 2.73Å
755G91.5Very high90.1Very high1 Ų149.8 Ų49.81%0.0126%0.255CS..BIsolated β-bridgetrans-68.2145.2164.500000111.5T761 R762 G763 K764 D802G755-T761 VanDerWaalsContact CA-O 3.28Å; G755-T761 WeakPolarHBondContact CA-O 3.28Å; G755-R762 WeakPolarHBondContact O-CA 3.24Å; G755-G763 PolarHBondContact O-N 3.03Å; G755-K764 PolarHBondContact N-O 2.74Å; G755-D802 WeakPolarHBondContact CA-OD2 3.43Å
756G85Confident90.7Very high17 Ų1743 Ų4318%0.17523%0.226CC..  trans-121.9-50.4-167.100000114.7D802 R803G756-D802 PolarHBondContact N-OD1 2.93Å; G756-R803 WeakPolarHBondContact CA-O 3.39Å
757T86.9Confident91.1Very high44 Ų4440.2 Ų40.227%0.2721%0.212SC..SBendtrans-109.3-46.8-177.346.60000112.6A759 V801 D802 R803T757-A759 PolarHBondContact O-N 2.86Å; T757-V801 PolarHBondContact OG1-O 3.39Å; T757-D802 PolarHBondContact N-OD1 3Å; T757-D802 WeakPolarHBondContact OG1-CA 3.44Å; T757-R803 HydrophobicContact CG2-CB 4.05Å; T757-R803 HydrophobicContact CG2-CG 4.5Å; T757-R803 PolarHBondContact OG1-N 2.85Å
758H88.8Confident91.4Very high11 Ų1139.8 Ų39.85%0.05121%0.209CC..SBendtrans-63.6133.3-171.4-174.1-82.2000112.2Y722 E760 T761 R762 L795 D797 D802Y722-H758 AromaticContact CD1-CE1 3.9Å; Y722-H758 AromaticContact CE1-CE1 3.59Å; H758-E760 VanDerWaalsContact C-N 3.31Å; H758-E760 PolarHBondContact ND1-N 3.08Å; H758-E760 PolarHBondContact O-N 3.34Å; H758-T761 PolarHBondContact O-N 3.29Å; H758-T761 PolarHBondContact O-OG1 3.46Å; H758-R762 WeakPolarHBondContact O-CB 3.35Å; H758-R762 PolarHBondContact O-N 2.92Å; H758-L795 HydrophobicContact CB-CD1 4.12Å; H758-D797 IonicContact NE2-OD2 2.81Å; H758-D802 HydrophobicContact CB-CB 3.65Å; H758-D802 PolarHBondContact N-OD1 2.74Å
759A88.4Confident91.5Very high84 Ų8437.6 Ų37.669%0.69420%0.198SC*.THydrogen-bonded Turntrans-52.6-45.2-171.900000113.3T757 T761T757-A759 PolarHBondContact O-N 2.86Å; A759-T761 PolarHBondContact O-N 3.41Å
760E88.3Confident91.4Very high93 Ų9338 Ų3844%0.43520%0.2SC..THydrogen-bonded Turntrans-78.9-8.7-179.1-80.8-56.6152.400116Y722 H758 K764Y722-E760 HydrophobicContact CD1-CB 4.02Å; Y722-E760 HydrophobicContact CD2-CB 4.25Å; Y722-E760 HydrophobicContact CD2-CG 4.48Å; Y722-E760 HydrophobicContact CE1-CB 4.33Å; Y722-E760 HydrophobicContact CE2-CG 4.42Å; Y722-E760 HydrophobicContact CG-CB 3.98Å; H758-E760 VanDerWaalsContact C-N 3.31Å; H758-E760 PolarHBondContact ND1-N 3.08Å; H758-E760 PolarHBondContact O-N 3.34Å; E760-K764 VanDerWaalsContact O-CD 3.25Å; E760-K764 WeakPolarHBondContact O-CD 3.32Å; E760-K764 WeakPolarHBondContact O-CE 3.26Å; E760-K764 PolarHBondContact O-NZ 2.88Å; E760-K764 IonicContact OE2-NZ 3.87Å; E760-K764 PolarHBondContact OE2-NZ 2.87Å
761T90.6Very high91.2Very high0 Ų038 Ų380%020%0.202CC..THydrogen-bonded Turntrans-115.9-20.8-178.467.60000112.9Y722 L723 G755 H758 A759 G763 K764 L795 D802Y722-T761 VanDerWaalsContact O-CG2 3.24Å; Y722-T761 WeakPolarHBondContact O-CG2 3.49Å; L723-T761 HydrophobicContact CD2-CG2 4.43Å; G755-T761 VanDerWaalsContact CA-O 3.28Å; G755-T761 WeakPolarHBondContact CA-O 3.28Å; H758-T761 PolarHBondContact O-N 3.29Å; H758-T761 PolarHBondContact O-OG1 3.46Å; A759-T761 PolarHBondContact O-N 3.41Å; T761-G763 PolarHBondContact O-N 2.91Å; T761-G763 VanDerWaalsContact O-N 3.12Å; T761-K764 WeakPolarHBondContact O-CA 3.29Å; T761-K764 VanDerWaalsContact O-CB 3.32Å; T761-K764 WeakPolarHBondContact O-CB 3.44Å; T761-K764 PolarHBondContact O-N 2.85Å; T761-L795 HydrophobicContact CG2-CD1 3.54Å; T761-D802 PolarHBondContact OG1-OD2 2.79Å
762R91.4Very high90.7Very high185 Ų18542.4 Ų42.470%0.69822%0.219SC*.BIsolated β-bridgetrans-48.6114.7-174.3-173.4169.4178.3-171-1.7113.3G755 H758 K764G755-R762 WeakPolarHBondContact O-CA 3.24Å; H758-R762 WeakPolarHBondContact O-CB 3.35Å; H758-R762 PolarHBondContact O-N 2.92Å; R762-K764 PolarHBondContact O-N 2.72Å
763G89.2Confident90.3Very high56 Ų5636.4 Ų36.458%0.57720%0.196SC*.THydrogen-bonded Turntrans78-10.4-179.100000115.8G755 T761G755-G763 PolarHBondContact O-N 3.03Å; T761-G763 PolarHBondContact O-N 2.91Å; T761-G763 VanDerWaalsContact O-N 3.12Å
764K93.3Very high89.7Confident89 Ų8938.3 Ų38.339%0.38721%0.208SC..  trans-76.1153.9171-53-178-167167.40109.4L723 L754 G755 E760 T761 R762L723-K764 HydrophobicContact CD1-CB 4.31Å; L723-K764 HydrophobicContact CD1-CD 4.47Å; L723-K764 HydrophobicContact CD2-CB 3.63Å; L723-K764 HydrophobicContact CD2-CD 4.12Å; L754-K764 CarbonylContact C-O 3.57Å; L754-K764 WeakPolarHBondContact CA-O 3.48Å; G755-K764 PolarHBondContact N-O 2.74Å; E760-K764 VanDerWaalsContact O-CD 3.25Å; E760-K764 WeakPolarHBondContact O-CD 3.32Å; E760-K764 WeakPolarHBondContact O-CE 3.26Å; E760-K764 PolarHBondContact O-NZ 2.88Å; E760-K764 IonicContact OE2-NZ 3.87Å; E760-K764 PolarHBondContact OE2-NZ 2.87Å; T761-K764 WeakPolarHBondContact O-CA 3.29Å; T761-K764 VanDerWaalsContact O-CB 3.32Å; T761-K764 WeakPolarHBondContact O-CB 3.44Å; T761-K764 PolarHBondContact O-N 2.85Å; R762-K764 PolarHBondContact O-N 2.72Å
765L93.6Very high89Confident14 Ų1443 Ų437%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-87.1135.3-178.2-175.476.5000110.8L248 P249 Y705 V707 R752 N753 L754 I768L248-L765 HydrophobicContact CD2-CD2 4.18Å; P249-L765 HydrophobicContact CG-CB 4.12Å; P249-L765 HydrophobicContact CG-CD2 4.23Å; Y705-L765 HydrophobicContact CE1-CD2 4.34Å; V707-L765 WeakPolarHBondContact CB-O 3.43Å; V707-L765 HydrophobicContact CG2-CB 3.93Å; V707-L765 HydrophobicContact CG2-CD2 3.7Å; V707-L765 HydrophobicContact CG2-CG 3.76Å; V707-L765 VanDerWaalsContact CG2-O 3.26Å; V707-L765 WeakPolarHBondContact CG2-O 3.41Å; R752-L765 HydrophobicContact CG-CD1 4.05Å; N753-L765 WeakPolarHBondContact O-CD1 3.26Å; L754-L765 HydrophobicContact CD2-CB 4.22Å; L754-L765 HydrophobicContact CD2-CD1 3.85Å; L765-I768 HydrophobicContact CD1-CG1 4.49Å
766Y93.4Very high88.3Confident0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-90.4-45.3165.5-77.1-71.5000111.5V707 Y722 L723 N753 K790 D802V707-Y766 PolarHBondContact N-O 2.9Å; Y722-Y766 WeakPolarHBondContact O-CE1 3.49Å; L723-Y766 WeakPolarHBondContact O-CD1 3.28Å; N753-Y766 PolarHBondContact O-N 3Å; Y766-K790 HydrophobicContact CD1-CD 4.09Å; Y766-K790 HydrophobicContact CD2-CD 4.26Å; Y766-K790 HydrophobicContact CD2-CG 3.81Å; Y766-K790 HydrophobicContact CE1-CD 4.41Å; Y766-K790 HydrophobicContact CE2-CG 4.11Å; Y766-K790 HydrophobicContact CG-CD 4.02Å; Y766-K790 HydrophobicContact CG-CG 4.03Å; Y766-D802 WeakPolarHBondContact CE2-OD2 3.08Å; Y766-D802 PolarHBondContact OH-OD2 2.98Å
767G92.9Very high87.7Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans173.8175.1-173.800000115.3Y705 N753Y705-G767 CarbonylContact O-C 3.52Å; Y705-G767 WeakPolarHBondContact O-CA 3.4Å; N753-G767 PolarHBondContact N-O 2.84Å; N753-G767 PolarHBondContact ND2-O 2.98Å
768I92.9Very high87.2Confident9 Ų958.9 Ų58.95%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-126.9146176.9-53.8177.5000108.2L248 Y705 R750 S751 L765L248-I768 HydrophobicContact CD2-CD1 3.91Å; Y705-I768 PolarHBondContact N-O 3.3Å; Y705-I768 PolarHBondContact O-N 3.2Å; R750-I768 HydrophobicContact CG-CG2 3.83Å; S751-I768 CarbonylContact O-C 3.54Å; S751-I768 VanDerWaalsContact O-CA 3.31Å; S751-I768 WeakPolarHBondContact O-CA 3.42Å; L765-I768 HydrophobicContact CD1-CG1 4.49Å
769R92.1Very high86.6Confident5 Ų561.8 Ų61.82%0.01930%0.298CS..EExtended strand (participates in β ladder)trans-135120.3175-66.4-69.5-175.2-83.15.4108.7Y703 E704 Y705 N706 W725 R750 S751 E788Y703-R769 WeakPolarHBondContact O-CA 3.33Å; E704-R769 IonicContact OE2-CZ 2.73Å; E704-R769 IonicContact OE2-NE 3.39Å; E704-R769 PolarHBondContact OE2-NE 3.39Å; E704-R769 IonicContact OE2-NH2 3Å; E704-R769 PolarHBondContact OE2-NH2 2.9Å; E704-R769 VanDerWaalsContact OE2-NH2 3.08Å; Y705-R769 PolarHBondContact O-NH1 2.93Å; N706-R769 VanDerWaalsContact OD1-CZ 3.28Å; N706-R769 PolarHBondContact OD1-NH1 2.84Å; N706-R769 PolarHBondContact OD1-NH2 3.13Å; W725-R769 HydrophobicContact CH2-CG 3.72Å; W725-R769 HydrophobicContact CZ2-CG 3.97Å; R750-R769 CarbonylContact C-O 3.44Å; R750-R769 WeakPolarHBondContact CA-O 3.45Å; S751-R769 PolarHBondContact N-O 3.19Å; S751-R769 PolarHBondContact O-N 3.07Å; R769-E788 HydrophobicContact CB-CB 4.46Å; R769-E788 WeakPolarHBondContact CD-OE2 2.94Å; R769-E788 HydrophobicContact CG-CB 4.01Å; R769-E788 IonicContact CZ-OE2 3.96Å; R769-E788 VanDerWaalsContact NE-CD 3.31Å; R769-E788 IonicContact NE-OE1 2.9Å; R769-E788 IonicContact NE-OE2 2.72Å; R769-E788 PolarHBondContact NE-OE2 2.7Å; R769-E788 IonicContact NH2-OE1 3.2Å; R769-E788 IonicContact NH2-OE2 2.84Å
770D89.9Confident86.2Confident8 Ų861.3 Ų61.34%0.04329%0.294CS..EExtended strand (participates in β ladder)trans-113.1140.6169.1-54.5-31.6000109.8Y703 M748 V749 R750Y703-D770 HydrophobicContact CD1-CB 4.45Å; Y703-D770 PolarHBondContact N-O 3.4Å; Y703-D770 PolarHBondContact O-N 2.72Å; M748-D770 HydrophobicContact CE-CB 3.79Å; V749-D770 WeakPolarHBondContact O-CA 2.93Å; R750-D770 VanDerWaalsContact CA-OD1 3.31Å; R750-D770 WeakPolarHBondContact CA-OD1 3.19Å; R750-D770 WeakPolarHBondContact CB-OD1 3.44Å; R750-D770 WeakPolarHBondContact CG-OD1 3.34Å; R750-D770 IonicContact CZ-OD1 3.49Å; R750-D770 IonicContact CZ-OD2 2.9Å; R750-D770 IonicContact NE-OD1 3.56Å; R750-D770 PolarHBondContact NE-OD1 2.84Å; R750-D770 IonicContact NE-OD2 3.15Å; R750-D770 PolarHBondContact NE-OD2 2.72Å; R750-D770 IonicContact NH2-OD1 2.85Å; R750-D770 IonicContact NH2-OD2 3.32Å; R750-D770 PolarHBondContact NH2-OD2 2.74Å
771I87.2Confident86.1Confident28 Ų2859.7 Ų59.714%0.14429%0.288CS..EExtended strand (participates in β ladder)trans-141.8140.2173.3-174.862.2000109.4K702 M748 V749 A785 V787K702-I771 HydrophobicContact CB-CD1 3.95Å; K702-I771 HydrophobicContact CG-CD1 4.08Å; M748-I771 CarbonylContact C-O 3.54Å; M748-I771 WeakPolarHBondContact CA-O 3.26Å; V749-I771 PolarHBondContact N-O 3.32Å; V749-I771 PolarHBondContact O-N 3.46Å; V749-I771 VanDerWaalsContact O-N 3.17Å; I771-A785 HydrophobicContact CG2-CB 4.26Å; I771-V787 HydrophobicContact CG2-CB 4.23Å; I771-V787 HydrophobicContact CG2-CG1 4.15Å; I771-V787 HydrophobicContact CG2-CG2 3.86Å
772R85.5Confident86Confident92 Ų9259.9 Ų59.935%0.34729%0.289SS..EExtended strand (participates in β ladder)trans-77138.7173.4-162.7-170.9-71.6-157.3-1.6110.7K700 D701 E746 M748K700-R772 HydrophobicContact CB-CB 3.87Å; K700-R772 WeakPolarHBondContact O-CB 3.33Å; K700-R772 PolarHBondContact O-N 2.82Å; D701-R772 HydrophobicContact CB-CB 4.45Å; D701-R772 IonicContact OD2-CZ 2.72Å; D701-R772 IonicContact OD2-NE 3.51Å; D701-R772 IonicContact OD2-NH2 2.76Å; D701-R772 PolarHBondContact OD2-NH2 3.2Å; E746-R772 HydrophobicContact CB-CG 3.97Å; E746-R772 VanDerWaalsContact OE2-CD 3.22Å; E746-R772 WeakPolarHBondContact OE2-CD 3.42Å; E746-R772 IonicContact OE2-NH1 3.99Å; M748-R772 HydrophobicContact SD-CB 3.6Å; M748-R772 HydrophobicContact SD-CG 3.93Å
773S85.9Confident85.8Confident0 Ų051.2 Ų51.20%026%0.257CS..  trans-66.4137.817369.30000112.2E746 V747 S783E746-S773 WeakPolarHBondContact CB-O 3.32Å; E746-S773 VanDerWaalsContact CG-O 3.3Å; E746-S773 WeakPolarHBondContact CG-O 3.2Å; V747-S773 PolarHBondContact N-OG 3.44Å; V747-S773 PolarHBondContact O-N 2.86Å; V747-S773 PolarHBondContact O-OG 3.07Å; S773-S783 WeakPolarHBondContact CB-OG 3.25Å; S773-S783 WeakPolarHBondContact OG-CB 3.35Å; S773-S783 PolarHBondContact OG-OG 2.96Å
774T82.3Confident85.9Confident40 Ų4048.5 Ų48.525%0.24523%0.229CC..EExtended strand (participates in β ladder)trans-87.6115.3174.7-72.20000109.2S783 A784 M888T774-S783 CarbonylContact O-C 3.5Å; T774-S783 WeakPolarHBondContact O-CA 3.32Å; T774-S783 VanDerWaalsContact O-CB 3.29Å; T774-S783 WeakPolarHBondContact O-CB 3.09Å; T774-A784 PolarHBondContact N-O 2.94Å; T774-A784 PolarHBondContact O-N 3.48Å; T774-M888 HydrophobicContact CG2-CB 4.04Å; T774-M888 HydrophobicContact CG2-CG 4.37Å
775R79.3Confident85.7Confident128 Ų12844.3 Ų44.348%0.48321%0.211SC..EExtended strand (participates in β ladder)trans-56137.2170177170.1176.9171-0.7112.4E746E746-R775 HydrophobicContact CG-CB 4.23Å; E746-R775 PolarHBondContact OE1-N 2.97Å; E746-R775 VanDerWaalsContact OE1-N 3.12Å
776D77Confident85.6Confident19 Ų1943.9 Ų43.910%0.10221%0.209CC..  trans-80140.8170.8-161.4-55.5000110.1R778 E779 T782 S890D776-R778 WeakPolarHBondContact OD1-CA 3.26Å; D776-R778 WeakPolarHBondContact OD1-CB 3.17Å; D776-R778 PolarHBondContact OD1-N 3.09Å; D776-E779 HydrophobicContact CB-CB 4.19Å; D776-E779 PolarHBondContact OD1-N 3.02Å; D776-T782 HydrophobicContact CB-CG2 3.97Å; D776-T782 PolarHBondContact N-O 2.92Å; D776-S890 WeakPolarHBondContact OD2-CB 3.44Å; D776-S890 PolarHBondContact OD2-OG 2.92Å
777M72.9Confident85.6Confident175 Ų17543.9 Ų43.986%0.86221%0.209SC*.SBendtrans-95.3-16-179.4-65.3-65.1-72.300112.8
778R75.6Confident85.6Confident200 Ų20044.1 Ų44.176%0.75521%0.21SC*.SBendtrans-95.7-39178-47.4-177.5-162.4-156.55.7110.2D776 E887D776-R778 WeakPolarHBondContact OD1-CA 3.26Å; D776-R778 WeakPolarHBondContact OD1-CB 3.17Å; D776-R778 PolarHBondContact OD1-N 3.09Å; R778-E887 IonicContact CZ-OE1 3.97Å; R778-E887 IonicContact NE-OE1 3Å; R778-E887 IonicContact NH2-OE1 2.64Å; R778-E887 PolarHBondContact NH2-OE1 3.5Å; R778-E887 IonicContact NH2-OE2 2.82Å; R778-E887 PolarHBondContact NH2-OE2 3.12Å
779E77.9Confident85.6Confident73 Ų7343.8 Ų43.834%0.34121%0.208SC..SBendtrans-97.2118.1173.8-76.1-149.1145.500113.9K740 D776 T782K740-E779 WeakPolarHBondContact CE-OE2 3.42Å; K740-E779 IonicContact NZ-OE1 2.92Å; K740-E779 IonicContact NZ-OE2 2.77Å; K740-E779 PolarHBondContact NZ-OE2 2.02Å; D776-E779 HydrophobicContact CB-CB 4.19Å; D776-E779 PolarHBondContact OD1-N 3.02Å; E779-T782 HydrophobicContact CB-CG2 4.28Å; E779-T782 VanDerWaalsContact OE2-CB 3.24Å; E779-T782 WeakPolarHBondContact OE2-CB 3.44Å; E779-T782 WeakPolarHBondContact OE2-CG2 3.35Å; E779-T782 PolarHBondContact OE2-OG1 3.43Å
780A79Confident85.7Confident74 Ų7443.7 Ų43.761%0.61221%0.208SC*.THydrogen-bonded Turntrans-69.6133.5171.900000112.2T782A780-T782 VanDerWaalsContact C-N 3.27Å; A780-T782 PolarHBondContact O-N 2.83Å
781N86.1Confident85.7Confident58 Ų5843.7 Ų43.731%0.3121%0.208SC..THydrogen-bonded Turntrans6522.9-177.8-41.1-55.4000114.9H742 G743H742-N781 CarbonylContact C-O 3.58Å; H742-N781 WeakPolarHBondContact CA-O 3.41Å; H742-N781 PolarHBondContact ND1-O 2.74Å; G743-N781 PolarHBondContact N-O 2.97Å; G743-N781 CarbonylContact O-C 3.58Å; G743-N781 VanDerWaalsContact O-C 3.3Å; G743-N781 WeakPolarHBondContact O-CA 3.49Å; G743-N781 VanDerWaalsContact O-O 3.07Å
782T88.4Confident85.8Confident5 Ų542.4 Ų42.43%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-110.3142.7169.1-740000110.8K740 D776 E779 A780 S890K740-T782 HydrophobicContact CD-CG2 4.26Å; K740-T782 VanDerWaalsContact CE-CG2 3.47Å; K740-T782 HydrophobicContact CG-CG2 4.26Å; D776-T782 HydrophobicContact CB-CG2 3.97Å; D776-T782 PolarHBondContact N-O 2.92Å; E779-T782 HydrophobicContact CB-CG2 4.28Å; E779-T782 VanDerWaalsContact OE2-CB 3.24Å; E779-T782 WeakPolarHBondContact OE2-CB 3.44Å; E779-T782 WeakPolarHBondContact OE2-CG2 3.35Å; E779-T782 PolarHBondContact OE2-OG1 3.43Å; A780-T782 VanDerWaalsContact C-N 3.27Å; A780-T782 PolarHBondContact O-N 2.83Å; T782-S890 WeakPolarHBondContact CG2-OG 3.29Å
783S88.4Confident85.8Confident2 Ų239 Ų391%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-139.7160.216261.60000110.2I741 S773 T774I741-S783 PolarHBondContact N-O 2.86Å; I741-S783 PolarHBondContact O-N 3.36Å; S773-S783 WeakPolarHBondContact CB-OG 3.25Å; S773-S783 WeakPolarHBondContact OG-CB 3.35Å; S773-S783 PolarHBondContact OG-OG 2.96Å; T774-S783 CarbonylContact O-C 3.5Å; T774-S783 WeakPolarHBondContact O-CA 3.32Å; T774-S783 VanDerWaalsContact O-CB 3.29Å; T774-S783 WeakPolarHBondContact O-CB 3.09Å
784A90.1Very high85.7Confident0 Ų043.1 Ų43.10%022%0.216CC..EExtended strand (participates in β ladder)trans-135.7148.1175.500000111.8V739 T774 M888V739-A784 CarbonylContact O-C 3.44Å; V739-A784 VanDerWaalsContact O-CA 3.3Å; V739-A784 WeakPolarHBondContact O-CA 3.38Å; T774-A784 PolarHBondContact N-O 2.94Å; T774-A784 PolarHBondContact O-N 3.48Å; A784-M888 HydrophobicContact CB-CG 3.89Å; A784-M888 HydrophobicContact CB-SD 3.85Å
785A90.1Very high85.8Confident1 Ų141.4 Ų41.41%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-128.3136.517800000110.3V739 V749 I771 V787V739-A785 PolarHBondContact N-O 2.81Å; V739-A785 PolarHBondContact O-N 2.96Å; V749-A785 HydrophobicContact CB-CB 4.44Å; V749-A785 HydrophobicContact CG2-CB 3.83Å; I771-A785 HydrophobicContact CG2-CB 4.26Å; A785-V787 HydrophobicContact CB-CG2 4.18Å
786C90.8Very high85.7Confident4 Ų438.7 Ų38.73%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-103.9106.9166.9-79.60000107.8F736 I873 C876 F877 M888F736-C786 HydrophobicContact CD1-CB 4.15Å; C786-I873 HydrophobicContact CB-CG1 4.34Å; C786-C876 HydrophobicContact CB-CB 3.88Å; C786-C876 WeakPolarHBondContact CB-SG 3.38Å; C786-C876 WeakPolarHBondContact SG-CB 3.39Å; C786-C876 CovalentContact SG-SG 2.03Å; C786-C876 PolarHBondContact SG-SG 2.74Å; C786-F877 HydrophobicContact CB-CD1 4.08Å; C786-F877 HydrophobicContact CB-CE1 4Å; C786-M888 HydrophobicContact CB-CE 4.11Å
787V92.4Very high85.9Confident0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-101.9126.4-171.5-162.50000109.6F736 I737 V739 V749 S751 I771 A785F736-V787 CarbonylContact C-O 3.56Å; F736-V787 VanDerWaalsContact CA-O 3.31Å; F736-V787 WeakPolarHBondContact CA-O 3.4Å; I737-V787 HydrophobicContact CG2-CB 4.09Å; I737-V787 PolarHBondContact N-O 2.78Å; I737-V787 PolarHBondContact O-N 2.92Å; V739-V787 HydrophobicContact CG2-CG2 4.1Å; V749-V787 HydrophobicContact CB-CG2 3.83Å; V749-V787 HydrophobicContact CG1-CG2 3.72Å; S751-V787 VanDerWaalsContact CB-CG1 3.44Å; I771-V787 HydrophobicContact CG2-CB 4.23Å; I771-V787 HydrophobicContact CG2-CG1 4.15Å; I771-V787 HydrophobicContact CG2-CG2 3.86Å; A785-V787 HydrophobicContact CB-CG2 4.18Å
788E93.1Very high86.2Confident6 Ų638.5 Ų38.53%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-70.7144175.2-164.5-163.9156.800110.8W725 C735 F736 S751 R769 K869W725-E788 HydrophobicContact CZ2-CG 4.18Å; W725-E788 WeakPolarHBondContact CZ2-OE1 3.29Å; W725-E788 PolarHBondContact NE1-OE1 2.93Å; C735-E788 WeakPolarHBondContact O-CA 3.29Å; F736-E788 HydrophobicContact CD1-CB 4.23Å; F736-E788 HydrophobicContact CE1-CB 3.8Å; F736-E788 HydrophobicContact CE1-CG 4.39Å; F736-E788 HydrophobicContact CE2-CB 4.38Å; F736-E788 HydrophobicContact CE2-CG 4.08Å; F736-E788 HydrophobicContact CZ-CB 3.88Å; F736-E788 HydrophobicContact CZ-CG 3.98Å; S751-E788 VanDerWaalsContact CB-O 3.25Å; S751-E788 WeakPolarHBondContact CB-O 3.48Å; S751-E788 PolarHBondContact OG-O 3.06Å; R769-E788 HydrophobicContact CB-CB 4.46Å; R769-E788 WeakPolarHBondContact CD-OE2 2.94Å; R769-E788 HydrophobicContact CG-CB 4.01Å; R769-E788 IonicContact CZ-OE2 3.96Å; R769-E788 VanDerWaalsContact NE-CD 3.31Å; R769-E788 IonicContact NE-OE1 2.9Å; R769-E788 IonicContact NE-OE2 2.72Å; R769-E788 PolarHBondContact NE-OE2 2.7Å; R769-E788 IonicContact NH2-OE1 3.2Å; R769-E788 IonicContact NH2-OE2 2.84Å; E788-K869 VanDerWaalsContact CD-CE 3.43Å; E788-K869 WeakPolarHBondContact OE1-CE 3.34Å; E788-K869 IonicContact OE1-NZ 3.68Å; E788-K869 VanDerWaalsContact OE2-CE 3.25Å; E788-K869 WeakPolarHBondContact OE2-CE 3.45Å; E788-K869 IonicContact OE2-NZ 3.43Å; E788-K869 PolarHBondContact OE2-NZ 2.95Å
789F93.8Very high86.5Confident1 Ų132.4 Ų32.40%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-142.8158.3172.968.1-103.2000111.8C735 I737 N753 C791 I806 M844 A846 I857C735-F789 HydrophobicContact CB-CD1 4.22Å; C735-F789 HydrophobicContact CB-CD2 3.63Å; C735-F789 HydrophobicContact CB-CE1 3.93Å; C735-F789 HydrophobicContact CB-CE2 3.3Å; C735-F789 HydrophobicContact CB-CG 4.11Å; C735-F789 HydrophobicContact CB-CZ 3.49Å; C735-F789 VanDerWaalsContact CB-CZ 3.49Å; C735-F789 PolarHBondContact O-N 3.05Å; I737-F789 HydrophobicContact CB-CD1 3.98Å; I737-F789 HydrophobicContact CB-CE1 3.83Å; I737-F789 HydrophobicContact CG2-CD1 4Å; I737-F789 HydrophobicContact CG2-CE1 4.36Å; N753-F789 WeakPolarHBondContact OD1-CA 3.45Å; N753-F789 WeakPolarHBondContact OD1-CB 3.4Å; F789-C791 PolarHBondContact O-N 2.72Å; F789-I806 HydrophobicContact CB-CD1 4.07Å; F789-I806 HydrophobicContact CB-CG1 4.22Å; F789-I806 HydrophobicContact CB-CG2 3.95Å; F789-I806 HydrophobicContact CD2-CD1 3.24Å; F789-I806 HydrophobicContact CD2-CG1 4.23Å; F789-I806 HydrophobicContact CE2-CD1 3.74Å; F789-I806 HydrophobicContact CG-CD1 3.84Å; F789-M844 HydrophobicContact CD1-CE 4.39Å; F789-M844 HydrophobicContact CE1-CE 3.98Å; F789-M844 HydrophobicContact CE2-CE 4.21Å; F789-M844 HydrophobicContact CZ-CE 3.85Å; F789-A846 HydrophobicContact CD2-CB 4.34Å; F789-A846 HydrophobicContact CE2-CB 3.85Å; F789-I857 HydrophobicContact CE1-CG2 4.12Å; F789-I857 HydrophobicContact CZ-CD1 4.45Å; F789-I857 HydrophobicContact CZ-CG2 3.71Å
790K93.2Very high86.8Confident4 Ų433.6 Ų33.62%0.01719%0.193CC..PPolyproline II helixtrans-67.6116.3178.5176.573.7-179.377.50109.9W725 N753 Y766 S804W725-K790 HydrophobicContact CD2-CD 4.2Å; W725-K790 HydrophobicContact CE3-CB 4.29Å; W725-K790 HydrophobicContact CE3-CD 4.32Å; W725-K790 HydrophobicContact CG-CD 4.4Å; W725-K790 HydrophobicContact CH2-CB 4.1Å; W725-K790 HydrophobicContact CZ2-CB 4.36Å; W725-K790 HydrophobicContact CZ3-CB 4.06Å; W725-K790 WeakPolarHBondContact O-CD 3.32Å; W725-K790 WeakPolarHBondContact O-CE 3.42Å; W725-K790 PolarHBondContact O-NZ 2.77Å; N753-K790 HydrophobicContact CB-CB 3.84Å; N753-K790 PolarHBondContact OD1-N 2.96Å; Y766-K790 HydrophobicContact CD1-CD 4.09Å; Y766-K790 HydrophobicContact CD2-CD 4.26Å; Y766-K790 HydrophobicContact CD2-CG 3.81Å; Y766-K790 HydrophobicContact CE1-CD 4.41Å; Y766-K790 HydrophobicContact CE2-CG 4.11Å; Y766-K790 HydrophobicContact CG-CD 4.02Å; Y766-K790 HydrophobicContact CG-CG 4.03Å; K790-S804 VanDerWaalsContact CG-OG 3.29Å; K790-S804 WeakPolarHBondContact CG-OG 3.35Å
791C91.1Very high87.1Confident7 Ų732.6 Ų32.65%0.04718%0.179CC..PPolyproline II helixtrans-65.4143.2172.9-58.10000112.1R733 C735 F789R733-C791 VanDerWaalsContact C-SG 3.54Å; R733-C791 HydrophobicContact CB-CB 4.36Å; R733-C791 HydrophobicContact CG-CB 4.12Å; R733-C791 PolarHBondContact O-SG 2.76Å; C735-C791 HydrophobicContact CB-CB 4.26Å; C735-C791 WeakPolarHBondContact CB-SG 3.31Å; C735-C791 PolarHBondContact N-SG 3.46Å; C735-C791 VanDerWaalsContact SG-CA 3.57Å; C735-C791 WeakPolarHBondContact SG-CB 3.33Å; C735-C791 CovalentContact SG-SG 2.02Å; C735-C791 PolarHBondContact SG-SG 2.87Å; F789-C791 PolarHBondContact O-N 2.72Å
792S89.1Confident87.2Confident2 Ų229.9 Ų29.91%0.01417%0.165CC..PPolyproline II helixtrans-68.1148.6163-590000111.1R733 D802 R803 S804 A846R733-S792 PolarHBondContact NH1-O 3.48Å; R733-S792 VanDerWaalsContact NH1-O 3.16Å; S792-D802 VanDerWaalsContact CA-O 3.27Å; S792-D802 WeakPolarHBondContact CA-O 3.35Å; S792-D802 WeakPolarHBondContact CB-O 3.36Å; S792-R803 WeakPolarHBondContact OG-CA 3.47Å; S792-S804 PolarHBondContact OG-N 3.01Å; S792-A846 WeakPolarHBondContact OG-CB 3.31Å; S792-A846 PolarHBondContact OG-O 2.82Å
793G85.7Confident87.3Confident20 Ų2031.4 Ų31.421%0.20617%0.17CC..EExtended strand (participates in β ladder)trans168.2-177.1178.600000112.6V801 D802G793-V801 WeakPolarHBondContact O-CA 3.23Å; G793-D802 PolarHBondContact N-O 3.31Å; G793-D802 VanDerWaalsContact N-O 3.15Å; G793-D802 PolarHBondContact O-N 3.38Å
794M83.4Confident87.5Confident86 Ų8631.3 Ų31.342%0.42417%0.169SC..EExtended strand (participates in β ladder)trans-64.3147.7169.4-60.3-64.4-90.400110.2P727 Q798 V801P727-M794 WeakPolarHBondContact CB-O 3.36Å; P727-M794 WeakPolarHBondContact CG-O 3.22Å; M794-Q798 HydrophobicContact CE-CB 4.18Å; M794-Q798 WeakPolarHBondContact CE-O 3.33Å; M794-V801 HydrophobicContact CG-CG2 4.4Å; M794-V801 HydrophobicContact SD-CB 4.42Å; M794-V801 HydrophobicContact SD-CG2 3.44Å; M794-V801 WeakPolarHBondContact SD-CG2 3.03Å
795L84.3Confident87.6Confident5 Ų533.7 Ų33.73%0.02618%0.182CC..  trans-87.1176.4168.3-56.7-172.5000110.8Y722 P727 H758 T761 D797 Q798 D802Y722-L795 HydrophobicContact CD1-CD1 3.82Å; Y722-L795 HydrophobicContact CE1-CD1 4.41Å; P727-L795 HydrophobicContact CB-CD2 4.1Å; H758-L795 HydrophobicContact CB-CD1 4.12Å; T761-L795 HydrophobicContact CG2-CD1 3.54Å; L795-D797 PolarHBondContact O-N 3.23Å; L795-Q798 PolarHBondContact O-N 2.82Å; L795-D802 HydrophobicContact CD1-CB 4.27Å; L795-D802 HydrophobicContact CD2-CB 4.05Å; L795-D802 HydrophobicContact CG-CB 4.22Å
796F77.8Confident87.8Confident71 Ų7133.7 Ų33.731%0.31118%0.182SC..THydrogen-bonded Turntrans-63.4-22.9-172.973.5-89.4000113.9W718 G720 Y722 P727 Q798W718-F796 HydrophobicContact CH2-CB 3.95Å; W718-F796 HydrophobicContact CZ2-CB 3.88Å; G720-F796 WeakPolarHBondContact O-CZ 3.36Å; Y722-F796 AromaticContact CD1-CE1 3.76Å; Y722-F796 HydrophobicContact CD1-CE1 3.76Å; Y722-F796 HydrophobicContact CD1-CZ 4.48Å; Y722-F796 AromaticContact CD2-CE1 3.87Å; Y722-F796 HydrophobicContact CD2-CE1 3.87Å; Y722-F796 HydrophobicContact CD2-CZ 4.08Å; Y722-F796 AromaticContact CE1-CE1 3.83Å; Y722-F796 HydrophobicContact CE1-CE1 3.83Å; Y722-F796 HydrophobicContact CE1-CZ 4.18Å; Y722-F796 AromaticContact CE2-CE1 3.94Å; Y722-F796 HydrophobicContact CE2-CE1 3.94Å; Y722-F796 AromaticContact CE2-CZ 3.75Å; Y722-F796 HydrophobicContact CE2-CZ 3.75Å; Y722-F796 AromaticContact CG-CE1 3.78Å; Y722-F796 HydrophobicContact CG-CE1 3.78Å; Y722-F796 HydrophobicContact CG-CZ 4.43Å; Y722-F796 AromaticContact CZ-CE1 3.91Å; Y722-F796 AromaticContact CZ-CZ 3.8Å; P727-F796 WeakPolarHBondContact O-CA 3.48Å; P727-F796 VanDerWaalsContact O-CB 3.25Å; P727-F796 WeakPolarHBondContact O-CB 3.17Å; P727-F796 PolarHBondContact O-N 2.73Å; F796-Q798 VanDerWaalsContact C-N 3.33Å
797D80Confident88Confident55 Ų5534.6 Ų34.629%0.29419%0.188SC..THydrogen-bonded Turntrans-82.1-11.1176.165.5-7.9000113.5Y722 H758 L795 A799Y722-D797 WeakPolarHBondContact CE1-OD2 3.2Å; Y722-D797 PolarHBondContact OH-OD2 2.85Å; H758-D797 IonicContact NE2-OD2 2.81Å; L795-D797 PolarHBondContact O-N 3.23Å; D797-A799 PolarHBondContact O-N 3.02Å; D797-A799 PolarHBondContact OD1-N 3.45Å
798Q80.4Confident88.1Confident134 Ų13434.6 Ų34.663%0.62619%0.188SC*.  trans55.427.9-177.4-53-1751.200114.2M794 L795 F796M794-Q798 HydrophobicContact CE-CB 4.18Å; M794-Q798 WeakPolarHBondContact CE-O 3.33Å; L795-Q798 PolarHBondContact O-N 2.82Å; F796-Q798 VanDerWaalsContact C-N 3.33Å
799A81.1Confident88.1Confident73 Ų7336.3 Ų36.360%0.60320%0.197SC*.SBendtrans-82.9-51-176.600000113.7D797D797-A799 PolarHBondContact O-N 3.02Å; D797-A799 PolarHBondContact OD1-N 3.45Å
800E85.1Confident88Confident98 Ų9836.5 Ų36.546%0.45820%0.199SC..SBendtrans-144.5154.2-179.8174.5179.9-14500111.1D802E800-D802 PolarHBondContact O-N 2.87Å
801V85.3Confident87.7Confident52 Ų5240.5 Ų40.532%0.31522%0.217SC..EExtended strand (participates in β ladder)trans-76.3117.4173.5178.50000110.2T757 G793 M794 R803 V848T757-V801 PolarHBondContact OG1-O 3.39Å; G793-V801 WeakPolarHBondContact O-CA 3.23Å; M794-V801 HydrophobicContact CG-CG2 4.4Å; M794-V801 HydrophobicContact SD-CB 4.42Å; M794-V801 HydrophobicContact SD-CG2 3.44Å; M794-V801 WeakPolarHBondContact SD-CG2 3.03Å; V801-R803 HydrophobicContact CG1-CG 4.35Å; V801-V848 HydrophobicContact CG1-CG2 4.42Å
802D88.5Confident87.3Confident1 Ų142.6 Ų42.61%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-81.8119.9165.1-168.321.1000110.5G755 G756 T757 H758 T761 Y766 S792 G793 L795 E800 S804G755-D802 WeakPolarHBondContact CA-OD2 3.43Å; G756-D802 PolarHBondContact N-OD1 2.93Å; T757-D802 PolarHBondContact N-OD1 3Å; T757-D802 WeakPolarHBondContact OG1-CA 3.44Å; H758-D802 HydrophobicContact CB-CB 3.65Å; H758-D802 PolarHBondContact N-OD1 2.74Å; T761-D802 PolarHBondContact OG1-OD2 2.79Å; Y766-D802 WeakPolarHBondContact CE2-OD2 3.08Å; Y766-D802 PolarHBondContact OH-OD2 2.98Å; S792-D802 VanDerWaalsContact CA-O 3.27Å; S792-D802 WeakPolarHBondContact CA-O 3.35Å; S792-D802 WeakPolarHBondContact CB-O 3.36Å; G793-D802 PolarHBondContact N-O 3.31Å; G793-D802 VanDerWaalsContact N-O 3.15Å; G793-D802 PolarHBondContact O-N 3.38Å; L795-D802 HydrophobicContact CD1-CB 4.27Å; L795-D802 HydrophobicContact CD2-CB 4.05Å; L795-D802 HydrophobicContact CG-CB 4.22Å; E800-D802 PolarHBondContact O-N 2.87Å; D802-S804 PolarHBondContact O-N 3.2Å
803R90.3Very high87.1Confident37 Ų3745.6 Ų45.614%0.1426%0.261CS..  trans-91.191.7169.1-67.8-178.265.6-168.5-1.9108.9G756 T757 S792 V801 L805 H830 P831 L845 V848G756-R803 WeakPolarHBondContact CA-O 3.39Å; T757-R803 HydrophobicContact CG2-CB 4.05Å; T757-R803 HydrophobicContact CG2-CG 4.5Å; T757-R803 PolarHBondContact OG1-N 2.85Å; S792-R803 WeakPolarHBondContact OG-CA 3.47Å; V801-R803 HydrophobicContact CG1-CG 4.35Å; R803-L805 PolarHBondContact O-N 3.07Å; R803-H830 PolarHBondContact NH1-O 2.64Å; R803-H830 PolarHBondContact NH2-O 3Å; R803-P831 PolarHBondContact NH1-O 2.65Å; R803-L845 HydrophobicContact CB-CB 4.36Å; R803-L845 HydrophobicContact CB-CD1 4.31Å; R803-V848 HydrophobicContact CG-CG2 4.1Å
804S91.5Very high87.3Confident0 Ų045 Ų450%025%0.253CS..  trans-60.3134.5-173.6-53.20000112.3L754 K790 S792 D802 L845 A846L754-S804 CarbonylContact O-C 3.54Å; L754-S804 WeakPolarHBondContact O-CA 3.34Å; K790-S804 VanDerWaalsContact CG-OG 3.29Å; K790-S804 WeakPolarHBondContact CG-OG 3.35Å; S792-S804 PolarHBondContact OG-N 3.01Å; D802-S804 PolarHBondContact O-N 3.2Å; S804-L845 WeakPolarHBondContact O-CA 3.45Å; S804-A846 PolarHBondContact O-N 3.1Å
805L93.4Very high87.7Confident51 Ų5149.3 Ų49.327%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-90122.3178.6173.664.7000109.9L754 R803 A834 L845L754-L805 HydrophobicContact CB-CB 4.31Å; L754-L805 HydrophobicContact CD1-CD2 4.21Å; L754-L805 PolarHBondContact N-O 2.91Å; L754-L805 PolarHBondContact O-N 2.73Å; R803-L805 PolarHBondContact O-N 3.07Å; L805-A834 HydrophobicContact CD1-CB 4.06Å; L805-L845 HydrophobicContact CB-CD2 3.84Å; L805-L845 HydrophobicContact CD1-CD2 3.89Å; L805-L845 HydrophobicContact CG-CD2 4.44Å
806I93.8Very high88.1Confident0 Ų052.3 Ų52.30%028%0.276CS..EExtended strand (participates in β ladder)trans-120.6135.4-170.3-60.4148.3000109.7R752 F789 V808 T843 M844 A846R752-I806 WeakPolarHBondContact O-CA 3.13Å; F789-I806 HydrophobicContact CB-CD1 4.07Å; F789-I806 HydrophobicContact CB-CG1 4.22Å; F789-I806 HydrophobicContact CB-CG2 3.95Å; F789-I806 HydrophobicContact CD2-CD1 3.24Å; F789-I806 HydrophobicContact CD2-CG1 4.23Å; F789-I806 HydrophobicContact CE2-CD1 3.74Å; F789-I806 HydrophobicContact CG-CD1 3.84Å; I806-V808 HydrophobicContact CG2-CG2 4.26Å; I806-T843 CarbonylContact O-C 3.5Å; I806-T843 VanDerWaalsContact O-CA 3.26Å; I806-T843 WeakPolarHBondContact O-CA 3.47Å; I806-M844 HydrophobicContact CB-CG 4.4Å; I806-M844 HydrophobicContact CD1-CE 3.96Å; I806-M844 PolarHBondContact N-O 3.05Å; I806-M844 PolarHBondContact O-N 2.86Å; I806-A846 HydrophobicContact CD1-CB 3.42Å; I806-A846 VanDerWaalsContact CD1-CB 3.42Å
807S93.9Very high88.7Confident23 Ų2354 Ų5416%0.16129%0.288CS..EExtended strand (participates in β ladder)trans-119.3118.8171-54.80000110.4S751 R752 F842S751-S807 WeakPolarHBondContact CA-O 3.49Å; R752-S807 PolarHBondContact N-O 3.4Å; R752-S807 PolarHBondContact O-N 3.1Å; S807-F842 CarbonylContact C-O 3.52Å; S807-F842 WeakPolarHBondContact CA-O 3.49Å
808V94.8Very high89.1Confident1 Ų154.2 Ų54.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-98.3121.2175.2-176.70000109.4I737 V739 V749 R750 I806 A841 F842 L896I737-V808 HydrophobicContact CG2-CG2 4.13Å; V739-V808 HydrophobicContact CG2-CG1 4.13Å; V749-V808 HydrophobicContact CG1-CG1 3.74Å; R750-V808 CarbonylContact O-C 3.53Å; R750-V808 WeakPolarHBondContact O-CA 3.23Å; I806-V808 HydrophobicContact CG2-CG2 4.26Å; V808-A841 CarbonylContact O-C 3.55Å; V808-A841 VanDerWaalsContact O-CA 3.27Å; V808-A841 WeakPolarHBondContact O-CA 3.37Å; V808-F842 PolarHBondContact N-O 3.15Å; V808-F842 PolarHBondContact O-N 2.83Å; V808-L896 HydrophobicContact CB-CD1 4.24Å; V808-L896 HydrophobicContact CG1-CD1 4.19Å; V808-L896 HydrophobicContact CG2-CD1 4.4Å
809I93.4Very high89.6Confident42 Ų4249.3 Ų49.322%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-138.1101-167.5-47.2176.9000110.3R750 Q811 A841R750-I809 HydrophobicContact CB-CB 4.48Å; R750-I809 WeakPolarHBondContact CB-O 3.32Å; R750-I809 PolarHBondContact N-O 3.25Å; R750-I809 PolarHBondContact O-N 3.28Å; I809-Q811 PolarHBondContact O-N 3.1Å; I809-Q811 PolarHBondContact O-NE2 2.88Å; I809-A841 HydrophobicContact CG1-CB 4.03Å
810P92.4Very high90.1Very high5 Ų547.5 Ų47.53%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-66.3126.4170.227.5-34.1000111.3V747 G812 C814 F898V747-P810 HydrophobicContact CG1-CB 4.2Å; P810-G812 VanDerWaalsContact C-N 3.29Å; P810-G812 PolarHBondContact O-N 2.88Å; P810-C814 HydrophobicContact CB-CB 4.12Å; P810-C814 HydrophobicContact CG-CB 3.72Å; P810-F898 HydrophobicContact CG-CD1 3.58Å; P810-F898 HydrophobicContact CG-CD2 4.43Å; P810-F898 HydrophobicContact CG-CE1 3.75Å; P810-F898 HydrophobicContact CG-CG 3.95Å; P810-F898 HydrophobicContact CG-CZ 4.25Å
811Q86.8Confident90.2Very high87 Ų8745.2 Ų45.241%0.40726%0.255SS..SBendtrans-78.773.7-176.6-56.2-57.9-69.100110.9M748 R750 I809M748-Q811 HydrophobicContact CB-CB 4.08Å; M748-Q811 HydrophobicContact CB-CG 4.06Å; M748-Q811 WeakPolarHBondContact O-CB 3.36Å; M748-Q811 WeakPolarHBondContact O-CG 3.24Å; M748-Q811 PolarHBondContact O-N 2.9Å; R750-Q811 HydrophobicContact CB-CG 4.25Å; I809-Q811 PolarHBondContact O-N 3.1Å; I809-Q811 PolarHBondContact O-NE2 2.88Å
812G81.6Confident90.3Very high52 Ų5246.4 Ų46.454%0.53626%0.259SS..SBendtrans-171.9-176.1-179.900000112.7P810 C814P810-G812 VanDerWaalsContact C-N 3.29Å; P810-G812 PolarHBondContact O-N 2.88Å; G812-C814 PolarHBondContact O-N 3.02Å
813S85.6Confident90.3Very high64 Ų6446.4 Ų46.445%0.44826%0.259SS..SBendtrans-79.657.5172.7-64.40000111.1K903S813-K903 VanDerWaalsContact OG-CE 3.25Å; S813-K903 WeakPolarHBondContact OG-CE 3.41Å; S813-K903 PolarHBondContact OG-NZ 2.99Å; S813-K903 VanDerWaalsContact OG-NZ 3.15Å
814C89.5Confident90.2Very high7 Ų749.8 Ų49.85%0.04728%0.277CS..  trans-102156.9-169.5-58.20000113P810 G812 S899 C900P810-C814 HydrophobicContact CB-CB 4.12Å; P810-C814 HydrophobicContact CG-CB 3.72Å; G812-C814 PolarHBondContact O-N 3.02Å; C814-S899 CarbonylContact C-O 3.59Å; C814-S899 WeakPolarHBondContact CA-O 3.27Å; C814-C900 HydrophobicContact CB-CB 4.18Å; C814-C900 WeakPolarHBondContact CB-SG 3.17Å; C814-C900 WeakPolarHBondContact SG-CB 3.38Å; C814-C900 CovalentContact SG-SG 2.04Å; C814-C900 PolarHBondContact SG-SG 2.81Å
815R91.8Very high90Very high178 Ų17854.3 Ų54.367%0.67230%0.298SS*.EExtended strand (participates in β ladder)trans-139.2136.7175.2-67.5-177.3177.1179.1-2.5112.1I817 S839 F898 S899R815-I817 PolarHBondContact O-N 2.94Å; R815-S839 CarbonylContact C-O 3.4Å; R815-S839 VanDerWaalsContact CA-O 3.32Å; R815-S839 WeakPolarHBondContact CA-O 3.47Å; R815-F898 CarbonylContact O-C 3.58Å; R815-F898 VanDerWaalsContact O-CA 3.31Å; R815-F898 WeakPolarHBondContact O-CA 3.43Å; R815-S899 PolarHBondContact N-O 2.88Å; R815-S899 PolarHBondContact O-N 2.99Å
816R92.6Very high89.6Confident68 Ų6853 Ų5326%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-63.9122.9174.3-167171.477.1-139.18.1109.4N836 E838 S839 A841 F898R816-N836 PolarHBondContact NH1-OD1 2.86Å; R816-N836 PolarHBondContact NH2-O 3.16Å; R816-E838 PolarHBondContact NH1-O 2.89Å; R816-S839 PolarHBondContact N-O 3.39Å; R816-A841 PolarHBondContact NH1-O 3.15Å; R816-F898 HydrophobicContact CB-CD1 4.04Å; R816-F898 HydrophobicContact CB-CE1 3.76Å; R816-F898 HydrophobicContact CB-CZ 4.27Å; R816-F898 HydrophobicContact CG-CE1 4.32Å; R816-F898 HydrophobicContact CG-CZ 4.34Å
817I90.6Very high89.2Confident107 Ų10753.9 Ų53.955%0.54929%0.294SS..EExtended strand (participates in β ladder)trans-96.7-45.7176.8-35.9176.3000110.2R815 T897R815-I817 PolarHBondContact O-N 2.94Å; I817-T897 HydrophobicContact CD1-CG2 4.08Å; I817-T897 PolarHBondContact N-O 2.81Å
818S89.3Confident88.8Confident58 Ų5858.2 Ų58.241%0.40631%0.314SS..EExtended strand (participates in β ladder)trans-147.5163.3-175.970.80000112.4T897S818-T897 PolarHBondContact N-O 2.8Å; S818-T897 PolarHBondContact O-N 2.8Å; S818-T897 WeakPolarHBondContact OG-CB 3.28Å; S818-T897 PolarHBondContact OG-OG1 3.42Å
819T90.6Very high88.4Confident32 Ų3264.4 Ų64.420%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-136.9142.9175.1-60.80000106.4G821 L823 F842 A895 L896T819-G821 PolarHBondContact O-N 2.98Å; T819-L823 HydrophobicContact CG2-CD2 4.42Å; T819-F842 HydrophobicContact CG2-CE2 3.92Å; T819-F842 HydrophobicContact CG2-CZ 4.26Å; T819-A895 WeakPolarHBondContact CA-O 3.42Å; T819-L896 HydrophobicContact CG2-CD2 3.91Å
820N90.6Very high87.9Confident34 Ų3465.7 Ų65.718%0.18235%0.346CS..  trans-59.8123.9179.4-177.1-36.2000109.6L822 L823 Q824 N854 V894 A895N820-L822 PolarHBondContact O-N 2.99Å; N820-L822 WeakPolarHBondContact OD1-CB 3.26Å; N820-L822 PolarHBondContact OD1-N 3.45Å; N820-L823 HydrophobicContact CB-CB 4.11Å; N820-L823 WeakPolarHBondContact O-CB 3.38Å; N820-L823 PolarHBondContact O-N 2.81Å; N820-Q824 PolarHBondContact O-N 2.73Å; N820-N854 PolarHBondContact ND2-O 3.2Å; N820-N854 VanDerWaalsContact ND2-O 3.1Å; N820-V894 WeakPolarHBondContact CB-O 3.31Å; N820-V894 PolarHBondContact ND2-O 2.84Å; N820-A895 PolarHBondContact N-O 2.86Å
821G87.8Confident87.2Confident50 Ų5069.5 Ų69.552%0.51537%0.371SS..Hα-helixtrans-59.9-32.1-174.500000113.2T819 Q824 E825T819-G821 PolarHBondContact O-N 2.98Å; G821-Q824 PolarHBondContact O-N 2.81Å; G821-E825 PolarHBondContact O-N 3.23Å
822L88Confident86.7Confident78 Ų7869.4 Ų69.441%0.40838%0.378SS..Hα-helixtrans-73.5-34177.3-57.6168.9000112N820 Q824 E825 Y826 Y855N820-L822 PolarHBondContact O-N 2.99Å; N820-L822 WeakPolarHBondContact OD1-CB 3.26Å; N820-L822 PolarHBondContact OD1-N 3.45Å; L822-Q824 VanDerWaalsContact C-N 3.35Å; L822-E825 PolarHBondContact O-N 3.24Å; L822-Y826 WeakPolarHBondContact O-CB 3.48Å; L822-Y826 PolarHBondContact O-N 3.27Å; L822-Y855 HydrophobicContact CB-CD1 3.25Å; L822-Y855 HydrophobicContact CB-CE1 3.51Å; L822-Y855 HydrophobicContact CB-CG 4.13Å; L822-Y855 HydrophobicContact CD1-CD1 3.95Å; L822-Y855 HydrophobicContact CD1-CE1 4.02Å; L822-Y855 HydrophobicContact CG-CD1 4.21Å; L822-Y855 HydrophobicContact CG-CE1 4.25Å
823L88Confident86.4Confident0 Ų071.1 Ų71.10%038%0.378CS..Hα-helixtrans-64.8-41.8170.5178.658.1000110.7T819 N820 Y826 L827 F842 I857 A895T819-L823 HydrophobicContact CG2-CD2 4.42Å; N820-L823 HydrophobicContact CB-CB 4.11Å; N820-L823 WeakPolarHBondContact O-CB 3.38Å; N820-L823 PolarHBondContact O-N 2.81Å; L823-Y826 PolarHBondContact O-N 3.3Å; L823-L827 HydrophobicContact CD1-CD1 4.24Å; L823-L827 HydrophobicContact CD1-CG 4.29Å; L823-L827 HydrophobicContact CG-CD1 4.16Å; L823-L827 VanDerWaalsContact O-CG 3.3Å; L823-L827 WeakPolarHBondContact O-CG 3.48Å; L823-L827 PolarHBondContact O-N 2.82Å; L823-F842 HydrophobicContact CD2-CZ 4.4Å; L823-I857 HydrophobicContact CD1-CD1 3.63Å; L823-I857 HydrophobicContact CD2-CD1 4.43Å; L823-A895 HydrophobicContact CD2-CB 3.97Å
824Q87.8Confident86.1Confident109 Ų10969 Ų6951%0.50936%0.364SS..Hα-helixtrans-64.2-41.5176.4-174.8172.2-17.100111.6N820 G821 L822 L827 I828N820-Q824 PolarHBondContact O-N 2.73Å; G821-Q824 PolarHBondContact O-N 2.81Å; L822-Q824 VanDerWaalsContact C-N 3.35Å; Q824-L827 PolarHBondContact O-N 3.32Å; Q824-I828 HydrophobicContact CG-CD1 4.15Å; Q824-I828 WeakPolarHBondContact O-CD1 3.36Å; Q824-I828 VanDerWaalsContact O-CG1 3.28Å; Q824-I828 WeakPolarHBondContact O-CG1 3.15Å; Q824-I828 PolarHBondContact O-N 3.39Å; Q824-I828 VanDerWaalsContact O-N 3.09Å
825E87.1Confident85.4Confident94 Ų9476.4 Ų76.444%0.43940%0.398SS..Hα-helixtrans-63.3-44.8173.8-171-176.8179.700112.2G821 L822 L827 I828 K829G821-E825 PolarHBondContact O-N 3.23Å; L822-E825 PolarHBondContact O-N 3.24Å; E825-L827 PolarHBondContact O-N 2.87Å; E825-I828 PolarHBondContact O-N 2.9Å; E825-K829 HydrophobicContact CG-CD 4.33Å; E825-K829 WeakPolarHBondContact O-CG 3.17Å; E825-K829 PolarHBondContact O-N 3.46Å; E825-K829 WeakPolarHBondContact OE1-CE 3.39Å; E825-K829 IonicContact OE1-NZ 2.72Å; E825-K829 PolarHBondContact OE1-NZ 3.44Å
826Y86.5Confident84.6Confident25 Ų2569.9 Ų69.910%0.09838%0.377CS..Hα-helixtrans-58.4-46175.5177.4-88.4000111.6L822 L823 I828 K829 H830 P847 V848 D849 Y855L822-Y826 WeakPolarHBondContact O-CB 3.48Å; L822-Y826 PolarHBondContact O-N 3.27Å; L823-Y826 PolarHBondContact O-N 3.3Å; Y826-I828 VanDerWaalsContact C-N 3.33Å; Y826-I828 PolarHBondContact O-N 2.65Å; Y826-K829 PolarHBondContact O-N 3.39Å; Y826-H830 AromaticContact CD2-CE1 3.48Å; Y826-H830 VanDerWaalsContact CD2-CE1 3.48Å; Y826-H830 WeakPolarHBondContact CD2-CE1 3.46Å; Y826-H830 AromaticContact CD2-ND1 3.51Å; Y826-H830 AromaticContact CE1-ND1 3.9Å; Y826-H830 AromaticContact CE2-CE1 3.27Å; Y826-H830 WeakPolarHBondContact CE2-CE1 3.42Å; Y826-H830 AromaticContact CE2-ND1 3.41Å; Y826-H830 WeakPolarHBondContact CE2-ND1 3.41Å; Y826-H830 AromaticContact CG-ND1 3.8Å; Y826-H830 AromaticContact CZ-CE1 3.85Å; Y826-H830 AromaticContact CZ-ND1 3.6Å; Y826-H830 PolarHBondContact O-N 3.4Å; Y826-H830 PolarHBondContact O-ND1 2.91Å; Y826-P847 HydrophobicContact CE1-CB 3.79Å; Y826-P847 HydrophobicContact CE1-CG 3.88Å; Y826-P847 WeakPolarHBondContact OH-CA 3.38Å; Y826-V848 PolarHBondContact OH-N 3.14Å; Y826-D849 WeakPolarHBondContact CE2-OD2 3.48Å; Y826-D849 PolarHBondContact OH-OD2 3.26Å; Y826-Y855 HydrophobicContact CD2-CE2 4.1Å; Y826-Y855 HydrophobicContact CG-CD2 4.48Å; Y826-Y855 HydrophobicContact CG-CE2 4.36Å
827L85.5Confident83.7Confident18 Ų1873.4 Ų73.49%0.09440%0.401CS..Hα-helixtrans-65.3-34.7179.8-70.8170.9000112.6L823 Q824 E825 F842 M844L823-L827 HydrophobicContact CD1-CD1 4.24Å; L823-L827 HydrophobicContact CD1-CG 4.29Å; L823-L827 HydrophobicContact CG-CD1 4.16Å; L823-L827 VanDerWaalsContact O-CG 3.3Å; L823-L827 WeakPolarHBondContact O-CG 3.48Å; L823-L827 PolarHBondContact O-N 2.82Å; Q824-L827 PolarHBondContact O-N 3.32Å; E825-L827 PolarHBondContact O-N 2.87Å; L827-F842 HydrophobicContact CD1-CZ 3.93Å; L827-M844 HydrophobicContact CD1-CB 4.23Å; L827-M844 HydrophobicContact CD2-CB 4.05Å
828I85.5Confident83.1Confident114 Ų11473.2 Ų73.259%0.58540%0.397SS*.Hα-helixtrans-67.7-38.4174.7-69.9164.3000111.3Q824 E825 Y826 H830Q824-I828 HydrophobicContact CG-CD1 4.15Å; Q824-I828 WeakPolarHBondContact O-CD1 3.36Å; Q824-I828 VanDerWaalsContact O-CG1 3.28Å; Q824-I828 WeakPolarHBondContact O-CG1 3.15Å; Q824-I828 PolarHBondContact O-N 3.39Å; Q824-I828 VanDerWaalsContact O-N 3.09Å; E825-I828 PolarHBondContact O-N 2.9Å; Y826-I828 VanDerWaalsContact C-N 3.33Å; Y826-I828 PolarHBondContact O-N 2.65Å; I828-H830 VanDerWaalsContact C-N 3.32Å; I828-H830 PolarHBondContact O-N 2.87Å
829K85.6Confident82.8Confident130 Ų13073.6 Ų73.657%0.56540%0.4SS*.Hα-helixtrans-73.5-18.2179.5-71.2177.9-175.7173.10114.4E825 Y826 P831E825-K829 HydrophobicContact CG-CD 4.33Å; E825-K829 WeakPolarHBondContact O-CG 3.17Å; E825-K829 PolarHBondContact O-N 3.46Å; E825-K829 WeakPolarHBondContact OE1-CE 3.39Å; E825-K829 IonicContact OE1-NZ 2.72Å; E825-K829 PolarHBondContact OE1-NZ 3.44Å; Y826-K829 PolarHBondContact O-N 3.39Å; K829-P831 VanDerWaalsContact O-CD 3.26Å; K829-P831 WeakPolarHBondContact O-CD 3.31Å
830H82.2Confident82.6Confident69 Ų6976.7 Ų76.732%0.31941%0.412SS..SBendtrans-120.765.1-175.2-59.592.8000112.9R803 Y826 I828R803-H830 PolarHBondContact NH1-O 2.64Å; R803-H830 PolarHBondContact NH2-O 3Å; Y826-H830 AromaticContact CD2-CE1 3.48Å; Y826-H830 VanDerWaalsContact CD2-CE1 3.48Å; Y826-H830 WeakPolarHBondContact CD2-CE1 3.46Å; Y826-H830 AromaticContact CD2-ND1 3.51Å; Y826-H830 AromaticContact CE1-ND1 3.9Å; Y826-H830 AromaticContact CE2-CE1 3.27Å; Y826-H830 WeakPolarHBondContact CE2-CE1 3.42Å; Y826-H830 AromaticContact CE2-ND1 3.41Å; Y826-H830 WeakPolarHBondContact CE2-ND1 3.41Å; Y826-H830 AromaticContact CG-ND1 3.8Å; Y826-H830 AromaticContact CZ-CE1 3.85Å; Y826-H830 AromaticContact CZ-ND1 3.6Å; Y826-H830 PolarHBondContact O-N 3.4Å; Y826-H830 PolarHBondContact O-ND1 2.91Å; I828-H830 VanDerWaalsContact C-N 3.32Å; I828-H830 PolarHBondContact O-N 2.87Å
831P77.3Confident82.6Confident86 Ų8675.1 Ų75.156%0.55840%0.404SS*.SBendtrans-59.9162.5178.227.9-36.2000112.6R803 K829R803-P831 PolarHBondContact NH1-O 2.65Å; K829-P831 VanDerWaalsContact O-CD 3.26Å; K829-P831 WeakPolarHBondContact O-CD 3.31Å
832P77.7Confident82.8Confident84 Ų8473 Ų7355%0.54538%0.38SS..SBendcis-72.7150.5-3.130.5-34.4000112.7L845P832-L845 HydrophobicContact CG-CD1 3.99Å; P832-L845 WeakPolarHBondContact O-CD1 3.46Å
833V75.5Confident83Confident89 Ų8970.2 Ų70.254%0.53937%0.366SS..PPolyproline II helixtrans-96.8135.2-177.6-169.80000110.1
834A78Confident83.2Confident20 Ų2070.3 Ų70.317%0.16537%0.367CS..PPolyproline II helixtrans-72.3142.1175.600000111.9L805 N836L805-A834 HydrophobicContact CD1-CB 4.06Å; A834-N836 PolarHBondContact O-N 3.13Å
835Q75Confident83.3Confident162 Ų16265.9 Ų65.976%0.75735%0.347SS*.  trans-71.7109.3-178.9-67.6-172.8200111.7N837 T843Q835-N837 PolarHBondContact O-N 3.18Å; Q835-T843 PolarHBondContact O-OG1 3.44Å; Q835-T843 VanDerWaalsContact O-OG1 3.09Å
836N75.8Confident83.4Confident41 Ų4161.4 Ų61.422%0.21933%0.326CS..  trans-98.730.1-169-117.4-46.3000114.4R816 A834 E838 F842 T843R816-N836 PolarHBondContact NH1-OD1 2.86Å; R816-N836 PolarHBondContact NH2-O 3.16Å; A834-N836 PolarHBondContact O-N 3.13Å; N836-E838 VanDerWaalsContact C-N 3.27Å; N836-E838 PolarHBondContact O-N 3.47Å; N836-F842 WeakPolarHBondContact ND2-CE2 3.47Å; N836-F842 VanDerWaalsContact OD1-CD2 3.32Å; N836-F842 WeakPolarHBondContact OD1-CD2 3.26Å; N836-T843 PolarHBondContact ND2-O 3.31Å; N836-T843 PolarHBondContact OD1-N 3.3Å; N836-T843 PolarHBondContact OD1-OG1 3.11Å
837N73.3Confident83.3Confident142 Ų14260.7 Ų60.776%0.75932%0.324SS*.  trans-69.3-20.2-167.3-60.7-10.1000114Q835Q835-N837 PolarHBondContact O-N 3.18Å
838E78.8Confident83.1Confident103 Ų10362.6 Ų62.648%0.48134%0.337SS..  trans-84.8127.6-176.7-63.9-175.8149.600111.7R816 N836 H840 A841R816-E838 PolarHBondContact NH1-O 2.89Å; N836-E838 VanDerWaalsContact C-N 3.27Å; N836-E838 PolarHBondContact O-N 3.47Å; E838-H840 IonicContact OE1-CE1 2.6Å; E838-H840 IonicContact OE2-CE1 3.58Å; E838-H840 IonicContact OE2-NE2 3.66Å; E838-A841 HydrophobicContact CB-CB 4.31Å
839S82.4Confident82.6Confident66 Ų6660.7 Ų60.746%0.46233%0.327SS..SBendtrans-82.2-11.3176.456.90000114.1R815 R816R815-S839 CarbonylContact C-O 3.4Å; R815-S839 VanDerWaalsContact CA-O 3.32Å; R815-S839 WeakPolarHBondContact CA-O 3.47Å; R816-S839 PolarHBondContact N-O 3.39Å
840H87Confident81.7Confident96 Ų9658.3 Ų58.344%0.44433%0.325SS..SBendtrans-97.8-4.9-179.671.9-85.6000113.3E838E838-H840 IonicContact OE1-CE1 2.6Å; E838-H840 IonicContact OE2-CE1 3.58Å; E838-H840 IonicContact OE2-NE2 3.66Å
841A89.8Confident80.6Confident1 Ų161.6 Ų61.61%0.00835%0.345CS..  trans-136.7-179.4-179.300000110.7V808 I809 R816 E838V808-A841 CarbonylContact O-C 3.55Å; V808-A841 VanDerWaalsContact O-CA 3.27Å; V808-A841 WeakPolarHBondContact O-CA 3.37Å; I809-A841 HydrophobicContact CG1-CB 4.03Å; R816-A841 PolarHBondContact NH1-O 3.15Å; E838-A841 HydrophobicContact CB-CB 4.31Å
842F92.8Very high80.1Confident6 Ų657.9 Ų57.93%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-144.1134.9163.8175.9-95.8000109.3S807 V808 T819 L823 L827 N836 M844 L896 F898S807-F842 CarbonylContact C-O 3.52Å; S807-F842 WeakPolarHBondContact CA-O 3.49Å; V808-F842 PolarHBondContact N-O 3.15Å; V808-F842 PolarHBondContact O-N 2.83Å; T819-F842 HydrophobicContact CG2-CE2 3.92Å; T819-F842 HydrophobicContact CG2-CZ 4.26Å; L823-F842 HydrophobicContact CD2-CZ 4.4Å; L827-F842 HydrophobicContact CD1-CZ 3.93Å; N836-F842 WeakPolarHBondContact ND2-CE2 3.47Å; N836-F842 VanDerWaalsContact OD1-CD2 3.32Å; N836-F842 WeakPolarHBondContact OD1-CD2 3.26Å; F842-M844 HydrophobicContact CE1-CB 3.96Å; F842-M844 HydrophobicContact CE1-CG 4.09Å; F842-M844 HydrophobicContact CE1-SD 3.95Å; F842-M844 HydrophobicContact CZ-CB 4.48Å; F842-L896 HydrophobicContact CB-CD1 3.84Å; F842-L896 HydrophobicContact CB-CD2 4.16Å; F842-L896 HydrophobicContact CD1-CD1 3.67Å; F842-L896 HydrophobicContact CD1-CD2 3.84Å; F842-L896 HydrophobicContact CD1-CG 4.34Å; F842-L896 HydrophobicContact CD2-CD2 3.65Å; F842-L896 HydrophobicContact CE1-CD1 4.4Å; F842-L896 HydrophobicContact CE1-CD2 4.08Å; F842-L896 HydrophobicContact CE2-CD2 3.91Å; F842-L896 HydrophobicContact CG-CD1 3.83Å; F842-L896 HydrophobicContact CG-CD2 3.6Å; F842-L896 HydrophobicContact CG-CG 4.39Å; F842-L896 HydrophobicContact CZ-CD2 4.11Å; F842-F898 HydrophobicContact CB-CZ 4.48Å
843T92Very high79.7Confident19 Ų1956.2 Ų56.212%0.11731%0.307CS..EExtended strand (participates in β ladder)trans-119.6139.4-177.157.10000111.9I806 Q835 N836I806-T843 CarbonylContact O-C 3.5Å; I806-T843 VanDerWaalsContact O-CA 3.26Å; I806-T843 WeakPolarHBondContact O-CA 3.47Å; Q835-T843 PolarHBondContact O-OG1 3.44Å; Q835-T843 VanDerWaalsContact O-OG1 3.09Å; N836-T843 PolarHBondContact ND2-O 3.31Å; N836-T843 PolarHBondContact OD1-N 3.3Å; N836-T843 PolarHBondContact OD1-OG1 3.11Å
844M91.4Very high79.8Confident2 Ų256.7 Ų56.71%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-151.4158.3172.665.6179.7-173.500112I737 F789 I806 L827 F842 I857I737-M844 HydrophobicContact CD1-CE 4.11Å; F789-M844 HydrophobicContact CD1-CE 4.39Å; F789-M844 HydrophobicContact CE1-CE 3.98Å; F789-M844 HydrophobicContact CE2-CE 4.21Å; F789-M844 HydrophobicContact CZ-CE 3.85Å; I806-M844 HydrophobicContact CB-CG 4.4Å; I806-M844 HydrophobicContact CD1-CE 3.96Å; I806-M844 PolarHBondContact N-O 3.05Å; I806-M844 PolarHBondContact O-N 2.86Å; L827-M844 HydrophobicContact CD1-CB 4.23Å; L827-M844 HydrophobicContact CD2-CB 4.05Å; F842-M844 HydrophobicContact CE1-CB 3.96Å; F842-M844 HydrophobicContact CE1-CG 4.09Å; F842-M844 HydrophobicContact CE1-SD 3.95Å; F842-M844 HydrophobicContact CZ-CB 4.48Å; M844-I857 HydrophobicContact CE-CD1 3.86Å; M844-I857 HydrophobicContact SD-CD1 4.01Å
845L90.2Very high80.1Confident16 Ų1659.3 Ų59.38%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-82135.4155.4-59.8-173000108R803 S804 L805 P832R803-L845 HydrophobicContact CB-CB 4.36Å; R803-L845 HydrophobicContact CB-CD1 4.31Å; S804-L845 WeakPolarHBondContact O-CA 3.45Å; L805-L845 HydrophobicContact CB-CD2 3.84Å; L805-L845 HydrophobicContact CD1-CD2 3.89Å; L805-L845 HydrophobicContact CG-CD2 4.44Å; P832-L845 HydrophobicContact CG-CD1 3.99Å; P832-L845 WeakPolarHBondContact O-CD1 3.46Å
846A88.6Confident80.7Confident0 Ų051.6 Ų51.60%028%0.276CS..PPolyproline II helixtrans-61.8142.8-178.900000112.2F789 S792 S804 I806F789-A846 HydrophobicContact CD2-CB 4.34Å; F789-A846 HydrophobicContact CE2-CB 3.85Å; S792-A846 WeakPolarHBondContact OG-CB 3.31Å; S792-A846 PolarHBondContact OG-O 2.82Å; S804-A846 PolarHBondContact O-N 3.1Å; I806-A846 HydrophobicContact CD1-CB 3.42Å; I806-A846 VanDerWaalsContact CD1-CB 3.42Å
847P85.8Confident81.4Confident11 Ų1149.8 Ų49.87%0.07127%0.267CS..PPolyproline II helixtrans-53.4144.2168.2-26.235.6000112.2Y826 I857Y826-P847 HydrophobicContact CE1-CB 3.79Å; Y826-P847 HydrophobicContact CE1-CG 3.88Å; Y826-P847 WeakPolarHBondContact OH-CA 3.38Å; P847-I857 HydrophobicContact CG-CD1 3.81Å; P847-I857 HydrophobicContact CG-CG2 4.46Å
848V80.3Confident82.3Confident58 Ų5843.2 Ų43.235%0.35223%0.231SC..SBendtrans-88-31.3170.3-174.90000109.9R733 V801 R803 Y826R733-V848 VanDerWaalsContact CZ-O 3.26Å; R733-V848 PolarHBondContact NH1-O 2.87Å; R733-V848 PolarHBondContact NH2-O 3.33Å; V801-V848 HydrophobicContact CG1-CG2 4.42Å; R803-V848 HydrophobicContact CG-CG2 4.1Å; Y826-V848 PolarHBondContact OH-N 3.14Å
849D75.6Confident82.7Confident73 Ų7338.7 Ų38.739%0.3921%0.21SC..SBendtrans-77.4147.4-174.2-45.9-76.1000113.4R733 Y826 L851R733-D849 PolarHBondContact NH2-O 2.84Å; Y826-D849 WeakPolarHBondContact CE2-OD2 3.48Å; Y826-D849 PolarHBondContact OH-OD2 3.26Å; D849-L851 PolarHBondContact O-N 2.8Å
850P66.7Low82.9Confident80 Ų8036.1 Ų36.152%0.51919%0.192SC..SBendtrans-79.4-10.9-176.528.5-32.6000115.2G852 T859P850-G852 PolarHBondContact O-N 2.85Å; P850-T859 WeakPolarHBondContact CA-OG1 3.31Å; P850-T859 PolarHBondContact O-OG1 2.64Å
851L59.4Low82.8Confident139 Ų13934.6 Ų34.673%0.72819%0.19SC*.  trans-103.762.3-166.5-63.1175.6000113.9D849D849-L851 PolarHBondContact O-N 2.8Å
852G65.5Low82.2Confident8 Ų835.3 Ų35.38%0.08219%0.193CC..  trans-95.4-4-174.100000118P850 N854 Y855 G856 I857P850-G852 PolarHBondContact O-N 2.85Å; G852-N854 PolarHBondContact O-N 3.06Å; G852-Y855 WeakPolarHBondContact O-CA 3.36Å; G852-Y855 WeakPolarHBondContact O-CB 3.24Å; G852-Y855 PolarHBondContact O-N 2.96Å; G852-G856 PolarHBondContact O-N 2.76Å; G852-I857 CarbonylContact C-O 3.52Å; G852-I857 WeakPolarHBondContact CA-O 3.36Å; G852-I857 PolarHBondContact O-N 3.3Å; G852-I857 VanDerWaalsContact O-O 3.05Å
853H70.9Confident81.3Confident49 Ų4938.6 Ų38.623%0.22721%0.209CC..G310 helixtrans-60.8-38.8-161.162.7-96.1000114.2Y855 G856 I857 Y858H853-Y855 PolarHBondContact O-N 3.46Å; H853-Y855 VanDerWaalsContact O-N 3.17Å; H853-G856 PolarHBondContact O-N 3.02Å; H853-G856 VanDerWaalsContact O-N 3.07Å; H853-I857 WeakPolarHBondContact CA-O 3.43Å; H853-I857 PolarHBondContact N-O 3.1Å; H853-I857 VanDerWaalsContact N-O 3.13Å; H853-Y858 HydrophobicContact CB-CD1 3.98Å; H853-Y858 HydrophobicContact CB-CE1 3.67Å; H853-Y858 PolarHBondContact O-OH 2.73Å
854N76.4Confident80.3Confident99 Ų9938.3 Ų38.353%0.52921%0.206SC..G310 helixtrans-62.9-20.6176-67.4-44.8000113.3N820 G852N820-N854 PolarHBondContact ND2-O 3.2Å; N820-N854 VanDerWaalsContact ND2-O 3.1Å; G852-N854 PolarHBondContact O-N 3.06Å
855Y85.6Confident79.5Confident75 Ų7538.2 Ų38.229%0.29421%0.206SC..G310 helixtrans-99.61.7-178.1-45.5-20.8000111.4L822 Y826 G852 H853 A895L822-Y855 HydrophobicContact CB-CD1 3.25Å; L822-Y855 HydrophobicContact CB-CE1 3.51Å; L822-Y855 HydrophobicContact CB-CG 4.13Å; L822-Y855 HydrophobicContact CD1-CD1 3.95Å; L822-Y855 HydrophobicContact CD1-CE1 4.02Å; L822-Y855 HydrophobicContact CG-CD1 4.21Å; L822-Y855 HydrophobicContact CG-CE1 4.25Å; Y826-Y855 HydrophobicContact CD2-CE2 4.1Å; Y826-Y855 HydrophobicContact CG-CD2 4.48Å; Y826-Y855 HydrophobicContact CG-CE2 4.36Å; G852-Y855 WeakPolarHBondContact O-CA 3.36Å; G852-Y855 WeakPolarHBondContact O-CB 3.24Å; G852-Y855 PolarHBondContact O-N 2.96Å; H853-Y855 PolarHBondContact O-N 3.46Å; H853-Y855 VanDerWaalsContact O-N 3.17Å; Y855-A895 WeakPolarHBondContact O-CB 3.33Å
856G87.1Confident78.8Confident0 Ų039.6 Ų39.60%021%0.21CC..THydrogen-bonded Turntrans77.521-178.100000115.3K738 G852 H853 G893K738-G856 PolarHBondContact N-O 2.85Å; G852-G856 PolarHBondContact O-N 2.76Å; H853-G856 PolarHBondContact O-N 3.02Å; H853-G856 VanDerWaalsContact O-N 3.07Å; G856-G893 WeakPolarHBondContact CA-O 3.46Å
857I91.1Very high77.9Confident3 Ų340.4 Ų40.42%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-115.1127173.9-68.8177.1000109.6F736 I737 F789 L823 M844 P847 G852 H853 T859F736-I857 CarbonylContact O-C 3.45Å; F736-I857 WeakPolarHBondContact O-CA 3.42Å; I737-I857 HydrophobicContact CD1-CG1 4.45Å; I737-I857 HydrophobicContact CG1-CG1 4.26Å; F789-I857 HydrophobicContact CE1-CG2 4.12Å; F789-I857 HydrophobicContact CZ-CD1 4.45Å; F789-I857 HydrophobicContact CZ-CG2 3.71Å; L823-I857 HydrophobicContact CD1-CD1 3.63Å; L823-I857 HydrophobicContact CD2-CD1 4.43Å; M844-I857 HydrophobicContact CE-CD1 3.86Å; M844-I857 HydrophobicContact SD-CD1 4.01Å; P847-I857 HydrophobicContact CG-CD1 3.81Å; P847-I857 HydrophobicContact CG-CG2 4.46Å; G852-I857 CarbonylContact C-O 3.52Å; G852-I857 WeakPolarHBondContact CA-O 3.36Å; G852-I857 PolarHBondContact O-N 3.3Å; G852-I857 VanDerWaalsContact O-O 3.05Å; H853-I857 WeakPolarHBondContact CA-O 3.43Å; H853-I857 PolarHBondContact N-O 3.1Å; H853-I857 VanDerWaalsContact N-O 3.13Å; I857-T859 HydrophobicContact CG2-CG2 3.95Å
858Y90.1Very high77.6Confident3 Ų339.9 Ų39.91%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-117.6119-173-58.6-86.2000109.1C735 F736 K738 H853 R875 C876 G879 G893C735-Y858 CarbonylContact C-O 3.54Å; C735-Y858 WeakPolarHBondContact CA-O 3.4Å; F736-Y858 PolarHBondContact N-O 2.84Å; F736-Y858 PolarHBondContact O-N 2.83Å; K738-Y858 HydrophobicContact CB-CE2 4.04Å; H853-Y858 HydrophobicContact CB-CD1 3.98Å; H853-Y858 HydrophobicContact CB-CE1 3.67Å; H853-Y858 PolarHBondContact O-OH 2.73Å; Y858-R875 HydrophobicContact CD1-CB 3.78Å; Y858-R875 WeakPolarHBondContact CE1-O 3.3Å; Y858-R875 HydrophobicContact CG-CB 4.35Å; Y858-C876 HydrophobicContact CD1-CB 4.49Å; Y858-C876 VanDerWaalsContact CD2-CA 3.49Å; Y858-C876 HydrophobicContact CD2-CB 3.43Å; Y858-C876 VanDerWaalsContact CD2-CB 3.43Å; Y858-C876 VanDerWaalsContact CD2-SG 3.58Å; Y858-C876 HydrophobicContact CE2-CB 4.03Å; Y858-C876 HydrophobicContact CG-CB 3.71Å; Y858-G879 WeakPolarHBondContact OH-CA 3.38Å; Y858-G893 VanDerWaalsContact OH-CA 3.27Å; Y858-G893 WeakPolarHBondContact OH-CA 3.22Å; Y858-G893 PolarHBondContact OH-O 2.95Å
859T88.9Confident77.6Confident8 Ų837.6 Ų37.65%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-125.7147.5-18087.60000111.7A734 C735 P850 I857 R875A734-T859 VanDerWaalsContact O-CA 3.27Å; A734-T859 WeakPolarHBondContact O-CA 3.17Å; C735-T859 HydrophobicContact CB-CG2 4.29Å; C735-T859 VanDerWaalsContact SG-CG2 3.53Å; P850-T859 WeakPolarHBondContact CA-OG1 3.31Å; P850-T859 PolarHBondContact O-OG1 2.64Å; I857-T859 HydrophobicContact CG2-CG2 3.95Å; T859-R875 PolarHBondContact O-NH1 3.04Å
860V85.6Confident77.5Confident12 Ų1235.7 Ų35.77%0.07319%0.186CC..EExtended strand (participates in β ladder)trans-143.9137.8176.2177.60000107.3R733 A734 A868 I871 A872R733-V860 CarbonylContact C-O 3.49Å; R733-V860 VanDerWaalsContact CA-O 3.27Å; R733-V860 WeakPolarHBondContact CA-O 3.39Å; A734-V860 PolarHBondContact N-O 2.93Å; A734-V860 PolarHBondContact O-N 2.94Å; A734-V860 VanDerWaalsContact O-N 3.11Å; V860-A868 HydrophobicContact CG1-CB 4.39Å; V860-I871 HydrophobicContact CG1-CB 4.22Å; V860-I871 HydrophobicContact CG1-CD1 4.48Å; V860-I871 HydrophobicContact CG1-CG2 4.34Å; V860-I871 HydrophobicContact CG2-CB 3.89Å; V860-I871 HydrophobicContact CG2-CG2 3.61Å; V860-A872 HydrophobicContact CB-CB 4.17Å; V860-A872 HydrophobicContact CG2-CB 3.74Å
861T84.7Confident77.9Confident65 Ų6533.2 Ų33.240%0.39917%0.168SC..EExtended strand (participates in β ladder)trans-111135.5167.2-510000108.5E731 R733E731-T861 HydrophobicContact CB-CG2 3.7Å; E731-T861 HydrophobicContact CG-CG2 4.03Å; R733-T861 HydrophobicContact CB-CG2 4.42Å; R733-T861 WeakPolarHBondContact CG-OG1 3.33Å
862D77.8Confident79.1Confident15 Ų1526.6 Ų26.68%0.0813%0.133CC..EExtended strand (participates in β ladder)trans-148.4165.7-179.6-150.1-49.2000111.5R269 F732 N864 A868R269-D862 IonicContact CZ-OD1 2.8Å; R269-D862 VanDerWaalsContact CZ-OD1 3.31Å; R269-D862 IonicContact CZ-OD2 3.54Å; R269-D862 VanDerWaalsContact CZ-OD2 3.29Å; R269-D862 IonicContact NH1-OD1 2.75Å; R269-D862 PolarHBondContact NH1-OD1 3.41Å; R269-D862 IonicContact NH1-OD2 3.38Å; R269-D862 PolarHBondContact NH1-OD2 3.23Å; R269-D862 IonicContact NH2-OD1 3.06Å; R269-D862 PolarHBondContact NH2-OD1 3.33Å; R269-D862 IonicContact NH2-OD2 2.72Å; R269-D862 PolarHBondContact NH2-OD2 3.2Å; F732-D862 WeakPolarHBondContact CB-O 3.31Å; F732-D862 PolarHBondContact N-O 3.34Å; F732-D862 PolarHBondContact O-N 3.44Å; D862-N864 PolarHBondContact OD1-N 2.82Å; D862-A868 HydrophobicContact CB-CB 3.8Å
863Q73.6Confident79.9Confident75 Ų7527 Ų2735%0.3513%0.134SC..SBendtrans-76.8-11.7170-61.4-64-44.100112.3L267 Q730 F732L267-Q863 HydrophobicContact CD1-CB 3.84Å; L267-Q863 HydrophobicContact CD1-CG 4.26Å; Q730-Q863 PolarHBondContact O-NE2 3.45Å; Q730-Q863 PolarHBondContact O-OE1 2.82Å; F732-Q863 WeakPolarHBondContact CD2-O 3.29Å; F732-Q863 WeakPolarHBondContact CE2-O 3.32Å
864N70.1Confident80.1Confident13 Ų1324.7 Ų24.77%0.0712%0.123CC..SBendtrans-126.7126.2175.9-176.1-77.9000111.6S339 D862 R866 V867 A868S339-N864 WeakPolarHBondContact OG-CB 3.45Å; S339-N864 PolarHBondContact OG-ND2 3.03Å; S339-N864 PolarHBondContact OG-OD1 2.94Å; D862-N864 PolarHBondContact OD1-N 2.82Å; N864-R866 PolarHBondContact O-N 3.22Å; N864-R866 VanDerWaalsContact OD1-CB 3.25Å; N864-R866 WeakPolarHBondContact OD1-CB 3.07Å; N864-R866 PolarHBondContact OD1-N 2.84Å; N864-V867 HydrophobicContact CB-CB 4.45Å; N864-V867 HydrophobicContact CB-CG2 4.37Å; N864-V867 PolarHBondContact O-N 2.98Å; N864-V867 PolarHBondContact OD1-N 3.13Å; N864-V867 VanDerWaalsContact OD1-N 3.16Å; N864-A868 PolarHBondContact O-N 2.91Å
865P76.4Confident80.5Confident0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-67.1-36.6-174.625-31.4000113.2F710 E712 L715 W726 F732 A868 K869F710-P865 HydrophobicContact CE1-CB 4.39Å; F710-P865 HydrophobicContact CE1-CG 3.96Å; F710-P865 HydrophobicContact CZ-CG 4.15Å; E712-P865 HydrophobicContact CB-CG 4.08Å; E712-P865 HydrophobicContact CG-CB 4.08Å; E712-P865 HydrophobicContact CG-CG 4.05Å; L715-P865 HydrophobicContact CD2-CG 3.8Å; W726-P865 HydrophobicContact CD2-CB 4.11Å; W726-P865 HydrophobicContact CE3-CB 4.4Å; W726-P865 HydrophobicContact CH2-CB 3.77Å; W726-P865 HydrophobicContact CZ2-CB 3.46Å; W726-P865 VanDerWaalsContact CZ2-CB 3.46Å; W726-P865 HydrophobicContact CZ3-CB 4.23Å; F732-P865 HydrophobicContact CB-CB 3.91Å; F732-P865 HydrophobicContact CD1-CB 3.6Å; F732-P865 HydrophobicContact CD1-CG 3.89Å; F732-P865 HydrophobicContact CE1-CB 4.25Å; F732-P865 HydrophobicContact CE1-CG 4.06Å; F732-P865 HydrophobicContact CG-CB 3.79Å; F732-P865 HydrophobicContact CG-CG 4.13Å; F732-P865 HydrophobicContact CZ-CG 4.44Å; P865-A868 PolarHBondContact O-N 2.94Å; P865-K869 PolarHBondContact O-N 2.7Å
866R74.1Confident80.6Confident46 Ų4619.7 Ų19.717%0.17410%0.096CC..Hα-helixtrans-62.2-46.4178.2-170.2-179.1-173.7158.72.3110.2E552 N713 N864 K869 E870E552-R866 PolarHBondContact O-NH1 2.82Å; E552-R866 PolarHBondContact O-NH2 2.87Å; N713-R866 PolarHBondContact OD1-NH1 2.75Å; N864-R866 PolarHBondContact O-N 3.22Å; N864-R866 VanDerWaalsContact OD1-CB 3.25Å; N864-R866 WeakPolarHBondContact OD1-CB 3.07Å; N864-R866 PolarHBondContact OD1-N 2.84Å; R866-K869 PolarHBondContact O-N 3.15Å; R866-E870 IonicContact NE-OE1 2.86Å; R866-E870 WeakPolarHBondContact O-CB 3.36Å; R866-E870 WeakPolarHBondContact O-CG 3.16Å; R866-E870 PolarHBondContact O-N 2.82Å
867V70Confident80.4Confident17 Ų1721.6 Ų21.610%0.10310%0.104CC..Hα-helixtrans-69.8-38177.5-1760000112S339 N864 K869 E870 I871S339-V867 WeakPolarHBondContact OG-CG2 3.39Å; N864-V867 HydrophobicContact CB-CB 4.45Å; N864-V867 HydrophobicContact CB-CG2 4.37Å; N864-V867 PolarHBondContact O-N 2.98Å; N864-V867 PolarHBondContact OD1-N 3.13Å; N864-V867 VanDerWaalsContact OD1-N 3.16Å; V867-K869 VanDerWaalsContact C-N 3.3Å; V867-K869 PolarHBondContact O-N 2.95Å; V867-E870 PolarHBondContact O-N 2.86Å; V867-I871 HydrophobicContact CG1-CD1 3.67Å; V867-I871 HydrophobicContact CG1-CG1 4.04Å; V867-I871 WeakPolarHBondContact O-CG1 3.4Å; V867-I871 PolarHBondContact O-N 2.93Å
868A78.9Confident80Confident0 Ų022.7 Ų22.70%011%0.11CC..Hα-helixtrans-55.2-46.4171.900000111.3F732 A734 V860 D862 N864 P865 A872F732-A868 VanDerWaalsContact O-CB 3.27Å; F732-A868 WeakPolarHBondContact O-CB 3.46Å; A734-A868 VanDerWaalsContact CB-C 3.47Å; A734-A868 HydrophobicContact CB-CB 3.81Å; A734-A868 WeakPolarHBondContact CB-O 3.37Å; V860-A868 HydrophobicContact CG1-CB 4.39Å; D862-A868 HydrophobicContact CB-CB 3.8Å; N864-A868 PolarHBondContact O-N 2.91Å; P865-A868 PolarHBondContact O-N 2.94Å; A868-A872 WeakPolarHBondContact O-CB 3.35Å; A868-A872 PolarHBondContact O-N 3.1Å
869K81.7Confident79.6Confident9 Ų923.2 Ų23.24%0.03912%0.116CC..Hα-helixtrans-64.1-48.6173.6-71.3-163.8-163.7178.20112.6E704 E712 W726 A734 F736 E788 P865 R866 V867 I871 A872 I873E704-K869 VanDerWaalsContact CD-NZ 3.25Å; E704-K869 IonicContact OE1-NZ 3.58Å; E704-K869 PolarHBondContact OE1-NZ 3.14Å; E704-K869 IonicContact OE2-NZ 3.34Å; E704-K869 PolarHBondContact OE2-NZ 3.19Å; E712-K869 WeakPolarHBondContact OE1-CE 3.46Å; E712-K869 IonicContact OE1-NZ 2.97Å; E712-K869 PolarHBondContact OE1-NZ 3.15Å; E712-K869 WeakPolarHBondContact OE2-CE 3.23Å; E712-K869 IonicContact OE2-NZ 3.61Å; E712-K869 PolarHBondContact OE2-NZ 3.38Å; W726-K869 HydrophobicContact CH2-CG 4.16Å; W726-K869 HydrophobicContact CZ2-CG 4.3Å; A734-K869 HydrophobicContact CB-CG 4.09Å; F736-K869 HydrophobicContact CE2-CB 4.3Å; F736-K869 HydrophobicContact CE2-CG 4.36Å; E788-K869 VanDerWaalsContact CD-CE 3.43Å; E788-K869 WeakPolarHBondContact OE1-CE 3.34Å; E788-K869 IonicContact OE1-NZ 3.68Å; E788-K869 VanDerWaalsContact OE2-CE 3.25Å; E788-K869 WeakPolarHBondContact OE2-CE 3.45Å; E788-K869 IonicContact OE2-NZ 3.43Å; E788-K869 PolarHBondContact OE2-NZ 2.95Å; P865-K869 PolarHBondContact O-N 2.7Å; R866-K869 PolarHBondContact O-N 3.15Å; V867-K869 VanDerWaalsContact C-N 3.3Å; V867-K869 PolarHBondContact O-N 2.95Å; K869-I871 VanDerWaalsContact C-N 3.29Å; K869-I871 PolarHBondContact O-N 3.31Å; K869-A872 PolarHBondContact O-N 2.95Å; K869-A872 VanDerWaalsContact O-N 3.15Å; K869-I873 WeakPolarHBondContact O-CB 3.48Å; K869-I873 VanDerWaalsContact O-CG2 3.28Å; K869-I873 WeakPolarHBondContact O-CG2 3.39Å; K869-I873 PolarHBondContact O-N 2.9Å
870E73.6Confident79.1Confident33 Ų3325.3 Ų25.315%0.15413%0.129CC..Hα-helixtrans-61.3-35.7-175.7-79.2179.5-162.600112.7G610 R866 V867 I873 G874 R886G610-E870 WeakPolarHBondContact CA-OE2 3.28Å; R866-E870 IonicContact NE-OE1 2.86Å; R866-E870 WeakPolarHBondContact O-CB 3.36Å; R866-E870 WeakPolarHBondContact O-CG 3.16Å; R866-E870 PolarHBondContact O-N 2.82Å; V867-E870 PolarHBondContact O-N 2.86Å; E870-I873 WeakPolarHBondContact O-CG2 3.32Å; E870-G874 PolarHBondContact O-N 2.9Å; E870-R886 PolarHBondContact O-NH1 2.89Å
871I74.9Confident78.5Confident28 Ų2826.7 Ų26.714%0.14414%0.14CC..Hα-helixtrans-75.1-44.6173.1-59.3173000110.1V860 V867 K869 I873 G874 R875 F884V860-I871 HydrophobicContact CG1-CB 4.22Å; V860-I871 HydrophobicContact CG1-CD1 4.48Å; V860-I871 HydrophobicContact CG1-CG2 4.34Å; V860-I871 HydrophobicContact CG2-CB 3.89Å; V860-I871 HydrophobicContact CG2-CG2 3.61Å; V867-I871 HydrophobicContact CG1-CD1 3.67Å; V867-I871 HydrophobicContact CG1-CG1 4.04Å; V867-I871 WeakPolarHBondContact O-CG1 3.4Å; V867-I871 PolarHBondContact O-N 2.93Å; K869-I871 VanDerWaalsContact C-N 3.29Å; K869-I871 PolarHBondContact O-N 3.31Å; I871-I873 PolarHBondContact O-N 2.8Å; I871-G874 PolarHBondContact O-N 2.93Å; I871-R875 HydrophobicContact CG2-CG 4.35Å; I871-R875 WeakPolarHBondContact O-CB 3.33Å; I871-R875 VanDerWaalsContact O-CG 3.29Å; I871-R875 WeakPolarHBondContact O-CG 3.41Å; I871-R875 PolarHBondContact O-N 2.86Å; I871-F884 HydrophobicContact CD1-CE1 4.4Å; I871-F884 HydrophobicContact CG1-CE1 3.9Å
872A84.3Confident77.5Confident0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-65.1-37.5-177.400000112.9A734 F736 V860 A868 K869 C876A734-A872 HydrophobicContact CB-CB 4.09Å; F736-A872 HydrophobicContact CD2-CB 3.62Å; F736-A872 HydrophobicContact CE2-CB 4.03Å; V860-A872 HydrophobicContact CB-CB 4.17Å; V860-A872 HydrophobicContact CG2-CB 3.74Å; A868-A872 WeakPolarHBondContact O-CB 3.35Å; A868-A872 PolarHBondContact O-N 3.1Å; K869-A872 PolarHBondContact O-N 2.95Å; K869-A872 VanDerWaalsContact O-N 3.15Å; A872-C876 WeakPolarHBondContact O-CB 3.4Å; A872-C876 PolarHBondContact O-N 3.4Å
873I82.4Confident76.7Confident18 Ų1827.9 Ų27.99%0.09215%0.145CC..Hα-helixtrans-71.8-37174.9-160.4173000111.6F736 C786 K869 E870 I871 C876 F877F736-I873 HydrophobicContact CD1-CB 4.38Å; F736-I873 HydrophobicContact CD1-CG1 4.21Å; F736-I873 HydrophobicContact CE1-CB 3.98Å; F736-I873 HydrophobicContact CE1-CD1 3.86Å; F736-I873 HydrophobicContact CE1-CG1 3.85Å; F736-I873 HydrophobicContact CE2-CB 4.18Å; F736-I873 HydrophobicContact CZ-CB 3.88Å; F736-I873 HydrophobicContact CZ-CD1 4.24Å; F736-I873 HydrophobicContact CZ-CG1 4.23Å; C786-I873 HydrophobicContact CB-CG1 4.34Å; K869-I873 WeakPolarHBondContact O-CB 3.48Å; K869-I873 VanDerWaalsContact O-CG2 3.28Å; K869-I873 WeakPolarHBondContact O-CG2 3.39Å; K869-I873 PolarHBondContact O-N 2.9Å; E870-I873 WeakPolarHBondContact O-CG2 3.32Å; I871-I873 PolarHBondContact O-N 2.8Å; I873-C876 WeakPolarHBondContact O-CB 3.31Å; I873-C876 PolarHBondContact O-N 2.81Å; I873-F877 HydrophobicContact CD1-CE1 3.79Å; I873-F877 HydrophobicContact CD1-CZ 4.23Å; I873-F877 HydrophobicContact CG1-CD1 3.8Å; I873-F877 HydrophobicContact CG1-CE1 3.44Å; I873-F877 VanDerWaalsContact CG1-CE1 3.44Å; I873-F877 HydrophobicContact CG1-CZ 4.25Å; I873-F877 WeakPolarHBondContact O-CD1 3.25Å; I873-F877 PolarHBondContact O-N 3.46Å
874G75.4Confident76Confident0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-64.2-44175.200000112.7E870 I871 C876 F877 D878 G883 S885E870-G874 PolarHBondContact O-N 2.9Å; I871-G874 PolarHBondContact O-N 2.93Å; G874-C876 VanDerWaalsContact C-N 3.3Å; G874-C876 PolarHBondContact O-N 2.88Å; G874-F877 PolarHBondContact O-N 2.84Å; G874-D878 PolarHBondContact O-N 3.29Å; G874-G883 CarbonylContact C-O 3.57Å; G874-S885 WeakPolarHBondContact CA-O 3.29Å
875R84.7Confident75.5Confident69 Ų6929.9 Ų29.926%0.2616%0.156SC..Hα-helixtrans-56.9-44.4170.9-73.9172.2167.4-163.3-13.5111.3Y858 T859 I871 G879 T880 S881 G883Y858-R875 HydrophobicContact CD1-CB 3.78Å; Y858-R875 WeakPolarHBondContact CE1-O 3.3Å; Y858-R875 HydrophobicContact CG-CB 4.35Å; T859-R875 PolarHBondContact O-NH1 3.04Å; I871-R875 HydrophobicContact CG2-CG 4.35Å; I871-R875 WeakPolarHBondContact O-CB 3.33Å; I871-R875 VanDerWaalsContact O-CG 3.29Å; I871-R875 WeakPolarHBondContact O-CG 3.41Å; I871-R875 PolarHBondContact O-N 2.86Å; R875-G879 WeakPolarHBondContact O-CA 3.31Å; R875-G879 PolarHBondContact O-N 2.97Å; R875-T880 WeakPolarHBondContact CB-O 3.41Å; R875-T880 PolarHBondContact O-N 3.24Å; R875-S881 PolarHBondContact NE-O 2.73Å; R875-S881 PolarHBondContact NH2-O 3.39Å; R875-G883 WeakPolarHBondContact CA-O 3.13Å; R875-G883 PolarHBondContact N-O 3.21Å
876C86.9Confident74.8Confident0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-66.6-41.5178.3-1740000113.1F736 K738 C786 Y858 A872 I873 G874F736-C876 HydrophobicContact CB-CB 4.17Å; K738-C876 VanDerWaalsContact CD-O 3.3Å; K738-C876 WeakPolarHBondContact CD-O 3.31Å; K738-C876 WeakPolarHBondContact CE-O 3.42Å; K738-C876 PolarHBondContact NZ-O 2.66Å; C786-C876 HydrophobicContact CB-CB 3.88Å; C786-C876 WeakPolarHBondContact CB-SG 3.38Å; C786-C876 WeakPolarHBondContact SG-CB 3.39Å; C786-C876 CovalentContact SG-SG 2.03Å; C786-C876 PolarHBondContact SG-SG 2.74Å; Y858-C876 HydrophobicContact CD1-CB 4.49Å; Y858-C876 VanDerWaalsContact CD2-CA 3.49Å; Y858-C876 HydrophobicContact CD2-CB 3.43Å; Y858-C876 VanDerWaalsContact CD2-CB 3.43Å; Y858-C876 VanDerWaalsContact CD2-SG 3.58Å; Y858-C876 HydrophobicContact CE2-CB 4.03Å; Y858-C876 HydrophobicContact CG-CB 3.71Å; A872-C876 WeakPolarHBondContact O-CB 3.4Å; A872-C876 PolarHBondContact O-N 3.4Å; I873-C876 WeakPolarHBondContact O-CB 3.31Å; I873-C876 PolarHBondContact O-N 2.81Å; G874-C876 VanDerWaalsContact C-N 3.3Å; G874-C876 PolarHBondContact O-N 2.88Å
877F82.7Confident74.5Confident40 Ų4036 Ų3618%0.17518%0.183CC..Hα-helixtrans-62.6-47.3177.1-85.738.7000111K738 C786 I873 G874 R886 M888 K889K738-F877 PolarHBondContact NZ-O 2.87Å; C786-F877 HydrophobicContact CB-CD1 4.08Å; C786-F877 HydrophobicContact CB-CE1 4Å; I873-F877 HydrophobicContact CD1-CE1 3.79Å; I873-F877 HydrophobicContact CD1-CZ 4.23Å; I873-F877 HydrophobicContact CG1-CD1 3.8Å; I873-F877 HydrophobicContact CG1-CE1 3.44Å; I873-F877 VanDerWaalsContact CG1-CE1 3.44Å; I873-F877 HydrophobicContact CG1-CZ 4.25Å; I873-F877 WeakPolarHBondContact O-CD1 3.25Å; I873-F877 PolarHBondContact O-N 3.46Å; G874-F877 PolarHBondContact O-N 2.84Å; F877-R886 WeakPolarHBondContact CD2-O 3.38Å; F877-M888 HydrophobicContact CD1-CE 3.51Å; F877-M888 HydrophobicContact CD1-SD 4.27Å; F877-M888 HydrophobicContact CD2-CB 4.24Å; F877-M888 HydrophobicContact CE1-CE 3.41Å; F877-M888 VanDerWaalsContact CE1-CE 3.41Å; F877-M888 HydrophobicContact CE2-CE 4.46Å; F877-M888 HydrophobicContact CG-CB 4.49Å; F877-M888 HydrophobicContact CG-CE 4.1Å; F877-M888 HydrophobicContact CG-SD 4.45Å; F877-M888 HydrophobicContact CZ-CE 3.94Å; F877-K889 PolarHBondContact O-N 2.77Å
878D82.3Confident74.9Confident26 Ų2636.2 Ų36.214%0.13918%0.183CC..Hα-helixtrans-69.7-38179.1-159.340.7000113.3G874 T880 K889G874-D878 PolarHBondContact O-N 3.29Å; D878-T880 HydrophobicContact CB-CG2 4.47Å; D878-T880 WeakPolarHBondContact OD2-CB 3.31Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.09Å; D878-T880 PolarHBondContact OD2-OG1 3.48Å; D878-K889 WeakPolarHBondContact O-CD 3.43Å; D878-K889 WeakPolarHBondContact OD1-CE 3.13Å; D878-K889 IonicContact OD1-NZ 2.73Å; D878-K889 PolarHBondContact OD1-NZ 3.38Å
879G82.4Confident75.1Confident14 Ų1439.9 Ų39.914%0.14420%0.199CC..THydrogen-bonded Turntrans89.818.4-171.100000114.6Y858 R875Y858-G879 WeakPolarHBondContact OH-CA 3.38Å; R875-G879 WeakPolarHBondContact O-CA 3.31Å; R875-G879 PolarHBondContact O-N 2.97Å
880T79.3Confident75.2Confident51 Ų5139.5 Ų39.531%0.31320%0.198SC..SBendtrans-128.8171.2-170.767.80000113.1R875 D878 G883R875-T880 WeakPolarHBondContact CB-O 3.41Å; R875-T880 PolarHBondContact O-N 3.24Å; D878-T880 HydrophobicContact CB-CG2 4.47Å; D878-T880 WeakPolarHBondContact OD2-CB 3.31Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.09Å; D878-T880 PolarHBondContact OD2-OG1 3.48Å; T880-G883 WeakPolarHBondContact OG1-CA 3.14Å; T880-G883 PolarHBondContact OG1-N 3.15Å
881S71.3Confident75.7Confident42 Ų4242 Ų4229%0.29421%0.212SC..SBendtrans-78.1-23.4173.657.70000113.9R875R875-S881 PolarHBondContact NE-O 2.73Å; R875-S881 PolarHBondContact NH2-O 3.39Å
882D63.9Low76.2Confident96 Ų9648.1 Ų48.151%0.51324%0.235SC..SBendtrans-119.40.9-165.5-63.212.9000112.1
883G60.8Low76.3Confident8 Ų849.2 Ų49.28%0.08225%0.246CC..  trans-74.8126.2-174.900000113.9G874 R875 T880 S885G874-G883 CarbonylContact C-O 3.57Å; R875-G883 WeakPolarHBondContact CA-O 3.13Å; R875-G883 PolarHBondContact N-O 3.21Å; T880-G883 WeakPolarHBondContact OG1-CA 3.14Å; T880-G883 PolarHBondContact OG1-N 3.15Å; G883-S885 VanDerWaalsContact C-N 3.33Å
884F58.8Low76.7Confident103 Ų10349.5 Ų49.545%0.45225%0.248SC..  trans-96.820.2160.9-68.1-97.8000111.6I871 R886I871-F884 HydrophobicContact CD1-CE1 4.4Å; I871-F884 HydrophobicContact CG1-CE1 3.9Å; F884-R886 PolarHBondContact O-N 2.97Å
885S59.6Low77.5Confident28 Ų2849.5 Ų49.520%0.19625%0.249CC..  trans-59.3138.3-173.9-173.50000112.1G874 G883 E887G874-S885 WeakPolarHBondContact CA-O 3.29Å; G883-S885 VanDerWaalsContact C-N 3.33Å; S885-E887 PolarHBondContact OG-N 2.74Å; S885-E887 VanDerWaalsContact OG-N 3.07Å; S885-E887 PolarHBondContact OG-O 3.06Å
886R62.1Low78Confident75 Ų7546.2 Ų46.228%0.28324%0.236SC..  trans-105.41.8167-53.2-57.6-172.5-155.62.9112.6G610 E870 F877 F884G610-R886 PolarHBondContact O-NH2 2.78Å; E870-R886 PolarHBondContact O-NH1 2.89Å; F877-R886 WeakPolarHBondContact CD2-O 3.38Å; F884-R886 PolarHBondContact O-N 2.97Å
887E69.1Low78.3Confident100 Ų10047.6 Ų47.647%0.46725%0.245SC..SBendtrans-90.3122.5167.6-170.8-174.1-17300110.2R778 S885 K889R778-E887 IonicContact CZ-OE1 3.97Å; R778-E887 IonicContact NE-OE1 3Å; R778-E887 IonicContact NH2-OE1 2.64Å; R778-E887 PolarHBondContact NH2-OE1 3.5Å; R778-E887 IonicContact NH2-OE2 2.82Å; R778-E887 PolarHBondContact NH2-OE2 3.12Å; S885-E887 PolarHBondContact OG-N 2.74Å; S885-E887 VanDerWaalsContact OG-N 3.07Å; S885-E887 PolarHBondContact OG-O 3.06Å; E887-K889 PolarHBondContact O-N 3.13Å
888M77.1Confident78.8Confident20 Ų2045.7 Ų45.710%0.09924%0.236CC..  trans-76.399.8176.2176.868.176.100110.7T774 A784 C786 F877 S890T774-M888 HydrophobicContact CG2-CB 4.04Å; T774-M888 HydrophobicContact CG2-CG 4.37Å; A784-M888 HydrophobicContact CB-CG 3.89Å; A784-M888 HydrophobicContact CB-SD 3.85Å; C786-M888 HydrophobicContact CB-CE 4.11Å; F877-M888 HydrophobicContact CD1-CE 3.51Å; F877-M888 HydrophobicContact CD1-SD 4.27Å; F877-M888 HydrophobicContact CD2-CB 4.24Å; F877-M888 HydrophobicContact CE1-CE 3.41Å; F877-M888 VanDerWaalsContact CE1-CE 3.41Å; F877-M888 HydrophobicContact CE2-CE 4.46Å; F877-M888 HydrophobicContact CG-CB 4.49Å; F877-M888 HydrophobicContact CG-CE 4.1Å; F877-M888 HydrophobicContact CG-SD 4.45Å; F877-M888 HydrophobicContact CZ-CE 3.94Å; M888-S890 PolarHBondContact O-N 3.05Å
889K83.9Confident79.3Confident77 Ų7746.3 Ų46.334%0.33524%0.242SC..  trans-78.9109.8171.8-67.3171.4178.9168.60109.3K738 F877 D878 E887 D891 Y892K738-K889 WeakPolarHBondContact CE-O 3.05Å; K738-K889 PolarHBondContact NZ-O 3Å; F877-K889 PolarHBondContact O-N 2.77Å; D878-K889 WeakPolarHBondContact O-CD 3.43Å; D878-K889 WeakPolarHBondContact OD1-CE 3.13Å; D878-K889 IonicContact OD1-NZ 2.73Å; D878-K889 PolarHBondContact OD1-NZ 3.38Å; E887-K889 PolarHBondContact O-N 3.13Å; K889-D891 PolarHBondContact O-N 2.96Å; K889-Y892 HydrophobicContact CB-CD2 4.13Å; K889-Y892 HydrophobicContact CD-CD2 4.48Å
890S83.8Confident79.7Confident2 Ų246.3 Ų46.31%0.01424%0.24CC..SBendtrans-70-26.7-169.772.30000115.1K740 D776 T782 M888 V894K740-S890 PolarHBondContact NZ-OG 2.9Å; D776-S890 WeakPolarHBondContact OD2-CB 3.44Å; D776-S890 PolarHBondContact OD2-OG 2.92Å; T782-S890 WeakPolarHBondContact CG2-OG 3.29Å; M888-S890 PolarHBondContact O-N 3.05Å; S890-V894 WeakPolarHBondContact O-CG2 3.45Å
891D84.3Confident79.9Confident85 Ų8547.9 Ų47.946%0.45525%0.251SS..SBendtrans-89.8-26.8-175.6-67.1-67.4000115.9K740 K889K740-D891 IonicContact NZ-OD1 2.9Å; K740-D891 PolarHBondContact NZ-OD1 3.28Å; K740-D891 IonicContact NZ-OD2 3.66Å; K889-D891 PolarHBondContact O-N 2.96Å
892Y85.8Confident79.9Confident157 Ų15750 Ų5062%0.61626%0.257SS*.THydrogen-bonded Turntrans-87.3122.1-167.8-71.8-95.7000111.3K738 K889K738-Y892 WeakPolarHBondContact CD-O 3.35Å; K738-Y892 WeakPolarHBondContact CE-O 3.32Å; K738-Y892 PolarHBondContact NZ-O 3.04Å; K889-Y892 HydrophobicContact CB-CD2 4.13Å; K889-Y892 HydrophobicContact CD-CD2 4.48Å
893G85.8Confident79.6Confident23 Ų2353.2 Ų53.224%0.23727%0.266CS..THydrogen-bonded Turntrans66.843.7174.200000114.2K738 G856 Y858K738-G893 WeakPolarHBondContact CB-O 3.43Å; K738-G893 WeakPolarHBondContact CD-O 3.32Å; G856-G893 WeakPolarHBondContact CA-O 3.46Å; Y858-G893 VanDerWaalsContact OH-CA 3.27Å; Y858-G893 WeakPolarHBondContact OH-CA 3.22Å; Y858-G893 PolarHBondContact OH-O 2.95Å
894V91.8Very high79.1Confident23 Ų2360.6 Ų60.614%0.13930%0.296CS..  trans-80.2139.7177.2-178.90000110.8K738 K740 N820 S890 L896K738-V894 HydrophobicContact CD-CG2 4.42Å; K740-V894 HydrophobicContact CB-CG1 3.81Å; K740-V894 HydrophobicContact CB-CG2 4.2Å; N820-V894 WeakPolarHBondContact CB-O 3.31Å; N820-V894 PolarHBondContact ND2-O 2.84Å; S890-V894 WeakPolarHBondContact O-CG2 3.45Å; V894-L896 VanDerWaalsContact CG1-O 3.25Å; V894-L896 WeakPolarHBondContact CG1-O 3.37Å
895A91.9Very high78.6Confident1 Ų163.1 Ų63.11%0.00831%0.312CS..SBendtrans-95.4-40.5172.600000112.8I737 K738 T819 N820 L823 Y855I737-A895 HydrophobicContact CD1-CB 3.85Å; I737-A895 HydrophobicContact CG1-CB 3.51Å; K738-A895 WeakPolarHBondContact O-CB 3.19Å; K738-A895 PolarHBondContact O-N 2.65Å; T819-A895 WeakPolarHBondContact CA-O 3.42Å; N820-A895 PolarHBondContact N-O 2.86Å; L823-A895 HydrophobicContact CD2-CB 3.97Å; Y855-A895 WeakPolarHBondContact O-CB 3.33Å
896L93.8Very high78Confident0 Ų068.6 Ų68.60%034%0.339CS..EExtended strand (participates in β ladder)trans-135.8141.2-172.3-60.9173000111.4I737 K738 V739 K740 V808 T819 F842 V894 F898I737-L896 HydrophobicContact CD1-CD1 3.79Å; I737-L896 HydrophobicContact CD1-CG 4.16Å; K738-L896 PolarHBondContact O-N 2.88Å; V739-L896 CarbonylContact C-O 3.51Å; V739-L896 WeakPolarHBondContact CA-O 3.05Å; V739-L896 HydrophobicContact CG1-CB 4.3Å; V739-L896 HydrophobicContact CG2-CB 4.41Å; V739-L896 HydrophobicContact CG2-CD1 4.38Å; K740-L896 PolarHBondContact N-O 2.96Å; V808-L896 HydrophobicContact CB-CD1 4.24Å; V808-L896 HydrophobicContact CG1-CD1 4.19Å; V808-L896 HydrophobicContact CG2-CD1 4.4Å; T819-L896 HydrophobicContact CG2-CD2 3.91Å; F842-L896 HydrophobicContact CB-CD1 3.84Å; F842-L896 HydrophobicContact CB-CD2 4.16Å; F842-L896 HydrophobicContact CD1-CD1 3.67Å; F842-L896 HydrophobicContact CD1-CD2 3.84Å; F842-L896 HydrophobicContact CD1-CG 4.34Å; F842-L896 HydrophobicContact CD2-CD2 3.65Å; F842-L896 HydrophobicContact CE1-CD1 4.4Å; F842-L896 HydrophobicContact CE1-CD2 4.08Å; F842-L896 HydrophobicContact CE2-CD2 3.91Å; F842-L896 HydrophobicContact CG-CD1 3.83Å; F842-L896 HydrophobicContact CG-CD2 3.6Å; F842-L896 HydrophobicContact CG-CG 4.39Å; F842-L896 HydrophobicContact CZ-CD2 4.11Å; V894-L896 VanDerWaalsContact CG1-O 3.25Å; V894-L896 WeakPolarHBondContact CG1-O 3.37Å; L896-F898 HydrophobicContact CB-CD2 4.46Å; L896-F898 HydrophobicContact CB-CE2 3.98Å; L896-F898 HydrophobicContact CD1-CE2 4.24Å
897T93.5Very high77.5Confident29 Ų2974.7 Ų74.718%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-121.2129.8172-45.80000111.3K740 I817 S818K740-T897 HydrophobicContact CB-CG2 4.35Å; K740-T897 HydrophobicContact CG-CG2 4.48Å; K740-T897 CarbonylContact O-C 3.58Å; K740-T897 WeakPolarHBondContact O-CA 3.44Å; I817-T897 HydrophobicContact CD1-CG2 4.08Å; I817-T897 PolarHBondContact N-O 2.81Å; S818-T897 PolarHBondContact N-O 2.8Å; S818-T897 PolarHBondContact O-N 2.8Å; S818-T897 WeakPolarHBondContact OG-CB 3.28Å; S818-T897 PolarHBondContact OG-OG1 3.42Å
898F94.5Very high76.8Confident0 Ų074.5 Ų74.50%036%0.361CS..EExtended strand (participates in β ladder)trans-119.3143.3174.5-69.5-99.7000111.9V739 K740 I741 H742 P810 R815 R816 F842 L896V739-F898 HydrophobicContact CG1-CD2 3.62Å; V739-F898 HydrophobicContact CG1-CE2 3.91Å; K740-F898 PolarHBondContact O-N 2.85Å; I741-F898 WeakPolarHBondContact CA-O 3.26Å; H742-F898 PolarHBondContact N-O 2.72Å; P810-F898 HydrophobicContact CG-CD1 3.58Å; P810-F898 HydrophobicContact CG-CD2 4.43Å; P810-F898 HydrophobicContact CG-CE1 3.75Å; P810-F898 HydrophobicContact CG-CG 3.95Å; P810-F898 HydrophobicContact CG-CZ 4.25Å; R815-F898 CarbonylContact O-C 3.58Å; R815-F898 VanDerWaalsContact O-CA 3.31Å; R815-F898 WeakPolarHBondContact O-CA 3.43Å; R816-F898 HydrophobicContact CB-CD1 4.04Å; R816-F898 HydrophobicContact CB-CE1 3.76Å; R816-F898 HydrophobicContact CB-CZ 4.27Å; R816-F898 HydrophobicContact CG-CE1 4.32Å; R816-F898 HydrophobicContact CG-CZ 4.34Å; F842-F898 HydrophobicContact CB-CZ 4.48Å; L896-F898 HydrophobicContact CB-CD2 4.46Å; L896-F898 HydrophobicContact CB-CE2 3.98Å; L896-F898 HydrophobicContact CD1-CE2 4.24Å
899S92.9Very high76Confident38 Ų3876.4 Ų76.427%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-95128.6164.7-172.20000109C814 R815 P901C814-S899 CarbonylContact C-O 3.59Å; C814-S899 WeakPolarHBondContact CA-O 3.27Å; R815-S899 PolarHBondContact N-O 2.88Å; R815-S899 PolarHBondContact O-N 2.99Å; S899-P901 WeakPolarHBondContact O-CD 3.16Å
900C90.2Very high74.9Confident15 Ų1576.9 Ų76.910%0.10138%0.382CS..  trans-123.673.9175.7-64.60000109.5I741 H742 V747 C814I741-C900 HydrophobicContact CG2-CB 4.01Å; I741-C900 WeakPolarHBondContact CG2-SG 3.48Å; H742-C900 PolarHBondContact O-N 3.14Å; V747-C900 HydrophobicContact CG2-CB 4.2Å; C814-C900 HydrophobicContact CB-CB 4.18Å; C814-C900 WeakPolarHBondContact CB-SG 3.17Å; C814-C900 WeakPolarHBondContact SG-CB 3.38Å; C814-C900 CovalentContact SG-SG 2.04Å; C814-C900 PolarHBondContact SG-SG 2.81Å
901P82.9Confident73.6Confident83 Ų8383.8 Ų83.854%0.53941%0.413SS..  trans-68.8145.4179.529.9-35.3000111.3S899 K903S899-P901 WeakPolarHBondContact O-CD 3.16Å; P901-K903 PolarHBondContact O-N 2.77Å
902E70.7Confident72.5Confident88 Ų8884.4 Ų84.441%0.41141%0.413SS..  trans-66.3131.1171.6-67-144.2132.400111.4K745 K904K745-E902 VanDerWaalsContact CD-OE1 3.29Å; K745-E902 WeakPolarHBondContact CD-OE1 3.22Å; K745-E902 WeakPolarHBondContact CE-OE1 3.38Å; K745-E902 IonicContact NZ-OE1 3.48Å; K745-E902 PolarHBondContact NZ-OE1 3.1Å; E902-K904 VanDerWaalsContact C-N 3.29Å; E902-K904 PolarHBondContact O-N 3.25Å
903K59.2Low71.5Confident162 Ų16279.9 Ų79.970%0.70439%0.394SS*.  trans-69.888.6160.1-81.1178.4174.5165.80109.1S813 P901 I905S813-K903 VanDerWaalsContact OG-CE 3.25Å; S813-K903 WeakPolarHBondContact OG-CE 3.41Å; S813-K903 PolarHBondContact OG-NZ 2.99Å; S813-K903 VanDerWaalsContact OG-NZ 3.15Å; P901-K903 PolarHBondContact O-N 2.77Å; K903-I905 PolarHBondContact O-N 2.66Å
904K50.7Low70.6Confident163 Ų16381.7 Ų81.771%0.70940%0.398SS*.  trans-55.8121.9159.2-72-168.6175.6-175.20108.2E902 N906E902-K904 VanDerWaalsContact C-N 3.29Å; E902-K904 PolarHBondContact O-N 3.25Å; K904-N906 PolarHBondContact O-N 2.77Å
905I47.1Very low69.3Low157 Ų15787 Ų8781%0.80542%0.422SS*.  trans-79.363.9-177.9-49.7-180000109K903 R907K903-I905 PolarHBondContact O-N 2.66Å; I905-R907 VanDerWaalsContact C-N 3.29Å; I905-R907 PolarHBondContact O-N 3.46Å
906N46.9Very low68.2Low142 Ų14291 Ų9176%0.75945%0.446SS*.  trans-90.715.2-178.6-80.739.4000112.9K904K904-N906 PolarHBondContact O-N 2.77Å
907R52.4Low67Low204 Ų20494.2 Ų94.277%0.7746%0.463SS*.SBendtrans-124.8112.9163.9-66.3-175.679.7173.64.9107.5I905 S909I905-R907 VanDerWaalsContact C-N 3.29Å; I905-R907 PolarHBondContact O-N 3.46Å; R907-S909 PolarHBondContact O-N 2.99Å
908E53.8Low65.9Low95 Ų9595.8 Ų95.844%0.44447%0.474SS..  trans-52.2137.1168.6-66.9-179.4151.500110.1R913E908-R913 HydrophobicContact CB-CG 3.72Å; E908-R913 PolarHBondContact O-NE 2.94Å; E908-R913 PolarHBondContact O-NH2 3.15Å; E908-R913 WeakPolarHBondContact OE2-CG 3.35Å
909S60.8Low64.7Low61 Ų6198.1 Ų98.143%0.42750%0.498SS..  trans-58.2152176.375.60000110.2R907 F911 Q912 R913R907-S909 PolarHBondContact O-N 2.99Å; S909-F911 PolarHBondContact O-N 3.01Å; S909-Q912 PolarHBondContact O-N 3.1Å; S909-Q912 VanDerWaalsContact OG-CB 3.22Å; S909-Q912 WeakPolarHBondContact OG-CB 3.5Å; S909-Q912 PolarHBondContact OG-N 3.16Å; S909-Q912 VanDerWaalsContact OG-N 3.16Å; S909-R913 PolarHBondContact O-N 3.33Å
910L59.6Low63.7Low86 Ų86102.4 Ų102.445%0.4551%0.514SS..Hα-helixtrans-62.9-32-177.1-166.4139000111.6L914 M925L910-L914 HydrophobicContact CD2-CD1 3.79Å; L910-L914 HydrophobicContact CD2-CG 4.41Å; L910-L914 WeakPolarHBondContact O-CG 3.49Å; L910-L914 PolarHBondContact O-N 3.1Å; L910-M925 HydrophobicContact CD2-SD 4.33Å
911F58.1Low62.8Low148 Ų148102 Ų10265%0.64951%0.511SS*.Hα-helixtrans-63-44.3170.8-166.5-93.3000112.5S909 L914 Q915S909-F911 PolarHBondContact O-N 3.01Å; F911-L914 WeakPolarHBondContact O-CB 3.37Å; F911-L914 PolarHBondContact O-N 3.36Å; F911-Q915 HydrophobicContact CE1-CG 4.44Å; F911-Q915 PolarHBondContact O-N 3.2Å
912Q59.3Low62.2Low97 Ų97102.7 Ų102.745%0.45351%0.51SS..Hα-helixtrans-69.5-35.2179.6-163.8164.914.400111.9S909 Q915 T916S909-Q912 PolarHBondContact O-N 3.1Å; S909-Q912 VanDerWaalsContact OG-CB 3.22Å; S909-Q912 WeakPolarHBondContact OG-CB 3.5Å; S909-Q912 PolarHBondContact OG-N 3.16Å; S909-Q912 VanDerWaalsContact OG-N 3.16Å; Q912-Q915 WeakPolarHBondContact O-CB 3.36Å; Q912-Q915 PolarHBondContact O-N 3.4Å; Q912-Q915 VanDerWaalsContact O-N 3.16Å; Q912-T916 WeakPolarHBondContact O-CG2 3.5Å; Q912-T916 PolarHBondContact O-N 2.78Å; Q912-T916 PolarHBondContact O-OG1 3.23Å; Q912-T916 VanDerWaalsContact O-OG1 3.13Å
913R66.4Low62.1Low62 Ų62101 Ų10123%0.23451%0.507CS..Hα-helixtrans-67.5-33.9170.3-83.9-178.3-72.71312.8113.8E908 S909 Q915 N917 T921E908-R913 HydrophobicContact CB-CG 3.72Å; E908-R913 PolarHBondContact O-NE 2.94Å; E908-R913 PolarHBondContact O-NH2 3.15Å; E908-R913 WeakPolarHBondContact OE2-CG 3.35Å; S909-R913 PolarHBondContact O-N 3.33Å; R913-Q915 VanDerWaalsContact C-N 3.27Å; R913-Q915 PolarHBondContact O-N 3.2Å; R913-N917 CarbonylContact O-C 3.49Å; R913-N917 VanDerWaalsContact O-C 3.23Å; R913-N917 PolarHBondContact O-N 2.85Å; R913-T921 HydrophobicContact CB-CG2 4.19Å; R913-T921 PolarHBondContact O-OG1 3.26Å; R913-T921 VanDerWaalsContact O-OG1 3.11Å
914L66.3Low62.7Low61 Ų6198.3 Ų98.332%0.31950%0.497SS..Hα-helixtrans-67.1-27.9169.6-74.5167.4000112.5L910 F911 P918 T921 L922L910-L914 HydrophobicContact CD2-CD1 3.79Å; L910-L914 HydrophobicContact CD2-CG 4.41Å; L910-L914 WeakPolarHBondContact O-CG 3.49Å; L910-L914 PolarHBondContact O-N 3.1Å; F911-L914 WeakPolarHBondContact O-CB 3.37Å; F911-L914 PolarHBondContact O-N 3.36Å; L914-P918 WeakPolarHBondContact O-CB 3.3Å; L914-P918 WeakPolarHBondContact O-CD 3.28Å; L914-T921 HydrophobicContact CD2-CG2 3.94Å; L914-T921 HydrophobicContact CG-CG2 4.05Å; L914-L922 HydrophobicContact CD2-CD2 4.19Å; L914-L922 HydrophobicContact CD2-CG 4.18Å
915Q63.9Low63.4Low135 Ų13594.1 Ų94.163%0.63148%0.482SS*.Hα-helixtrans-80.3-40.7173.4-71179.9-42.300113.1F911 Q912 R913F911-Q915 HydrophobicContact CE1-CG 4.44Å; F911-Q915 PolarHBondContact O-N 3.2Å; Q912-Q915 WeakPolarHBondContact O-CB 3.36Å; Q912-Q915 PolarHBondContact O-N 3.4Å; Q912-Q915 VanDerWaalsContact O-N 3.16Å; R913-Q915 VanDerWaalsContact C-N 3.27Å; R913-Q915 PolarHBondContact O-N 3.2Å
916T69.8Low64.2Low85 Ų8588.5 Ų88.552%0.52146%0.459SS..Hα-helixtrans-82.9-37-176.456.30000113.5Q912Q912-T916 WeakPolarHBondContact O-CG2 3.5Å; Q912-T916 PolarHBondContact O-N 2.78Å; Q912-T916 PolarHBondContact O-OG1 3.23Å; Q912-T916 VanDerWaalsContact O-OG1 3.13Å
917N67.1Low65.2Low67 Ų6789.4 Ų89.436%0.35845%0.451SS..  trans-153.173.3-179.7-155.7-29.8000112.2R913 G919 Q920 T921R913-N917 CarbonylContact O-C 3.49Å; R913-N917 VanDerWaalsContact O-C 3.23Å; R913-N917 PolarHBondContact O-N 2.85Å; N917-G919 VanDerWaalsContact C-N 3.31Å; N917-G919 PolarHBondContact O-N 2.83Å; N917-Q920 PolarHBondContact ND2-OE1 3.32Å; N917-Q920 PolarHBondContact O-N 3.2Å; N917-Q920 PolarHBondContact OD1-N 2.94Å; N917-T921 PolarHBondContact O-N 3.25Å; N917-T921 VanDerWaalsContact O-N 3.11Å; N917-T921 PolarHBondContact O-OG1 3.07Å
918P70.4Confident65.8Low63 Ų6384.2 Ų84.241%0.40944%0.439SS..Hα-helixtrans-60.1-37.6-176.618.9-29.4000113L914 T921 L922L914-P918 WeakPolarHBondContact O-CB 3.3Å; L914-P918 WeakPolarHBondContact O-CD 3.28Å; P918-T921 PolarHBondContact O-N 2.81Å; P918-L922 WeakPolarHBondContact O-CB 3.04Å; P918-L922 VanDerWaalsContact O-CG 3.3Å; P918-L922 WeakPolarHBondContact O-CG 3.39Å; P918-L922 PolarHBondContact O-N 3.07Å
919G71.2Confident65.9Low49 Ų4985.8 Ų85.851%0.50545%0.448SS..Hα-helixtrans-64-42.9-178.500000113.6N917 S923N917-G919 VanDerWaalsContact C-N 3.31Å; N917-G919 PolarHBondContact O-N 2.83Å; G919-S923 WeakPolarHBondContact O-CB 3.4Å; G919-S923 PolarHBondContact O-N 3.08Å; G919-S923 PolarHBondContact O-OG 2.94Å
920Q70.5Confident65.6Low127 Ų12792.2 Ų92.259%0.59346%0.462SS*.Hα-helixtrans-69.8-39.9173.4-75.7-170.2-20.200112N917 S923 Q924N917-Q920 PolarHBondContact ND2-OE1 3.32Å; N917-Q920 PolarHBondContact O-N 3.2Å; N917-Q920 PolarHBondContact OD1-N 2.94Å; Q920-S923 PolarHBondContact O-N 3.1Å; Q920-S923 PolarHBondContact O-OG 2.95Å; Q920-Q924 PolarHBondContact O-N 2.81Å
921T71.2Confident65.3Low6 Ų695.8 Ų95.84%0.03748%0.477CS..Hα-helixtrans-65.8-45.5-178.1-53.30000111.8R913 L914 N917 P918 S923 Q924 M925R913-T921 HydrophobicContact CB-CG2 4.19Å; R913-T921 PolarHBondContact O-OG1 3.26Å; R913-T921 VanDerWaalsContact O-OG1 3.11Å; L914-T921 HydrophobicContact CD2-CG2 3.94Å; L914-T921 HydrophobicContact CG-CG2 4.05Å; N917-T921 PolarHBondContact O-N 3.25Å; N917-T921 VanDerWaalsContact O-N 3.11Å; N917-T921 PolarHBondContact O-OG1 3.07Å; P918-T921 PolarHBondContact O-N 2.81Å; T921-S923 PolarHBondContact O-N 3.15Å; T921-Q924 PolarHBondContact O-N 2.83Å; T921-M925 HydrophobicContact CG2-SD 4.45Å; T921-M925 WeakPolarHBondContact O-CG 3.35Å; T921-M925 PolarHBondContact O-N 3.45Å
922L71.6Confident65Low98 Ų9894.7 Ų94.751%0.51348%0.482SS..Hα-helixtrans-67.2-34.1176.3-68.9169000112.4L914 P918 M925 A926L914-L922 HydrophobicContact CD2-CD2 4.19Å; L914-L922 HydrophobicContact CD2-CG 4.18Å; P918-L922 WeakPolarHBondContact O-CB 3.04Å; P918-L922 VanDerWaalsContact O-CG 3.3Å; P918-L922 WeakPolarHBondContact O-CG 3.39Å; P918-L922 PolarHBondContact O-N 3.07Å; L922-M925 PolarHBondContact O-N 3.11Å; L922-A926 VanDerWaalsContact O-CB 3.27Å; L922-A926 WeakPolarHBondContact O-CB 3.44Å; L922-A926 PolarHBondContact O-N 2.73Å
923S68.9Low64.2Low52 Ų5297.6 Ų97.636%0.36450%0.496SS..Hα-helixtrans-82.5-10.2176.961.30000114.8G919 Q920 T921 R927G919-S923 WeakPolarHBondContact O-CB 3.4Å; G919-S923 PolarHBondContact O-N 3.08Å; G919-S923 PolarHBondContact O-OG 2.94Å; Q920-S923 PolarHBondContact O-N 3.1Å; Q920-S923 PolarHBondContact O-OG 2.95Å; T921-S923 PolarHBondContact O-N 3.15Å; S923-R927 PolarHBondContact O-NE 2.84Å
924Q69.9Low63Low106 Ų10697.9 Ų97.950%0.49552%0.518SS..Hα-helixtrans-77.8-51.5157.5-81.2-172.6-42.800110.6Q920 T921 A926 R927 D928Q920-Q924 PolarHBondContact O-N 2.81Å; T921-Q924 PolarHBondContact O-N 2.83Å; Q924-A926 PolarHBondContact O-N 2.81Å; Q924-R927 CarbonylContact O-C 3.55Å; Q924-R927 WeakPolarHBondContact O-CA 2.94Å; Q924-R927 WeakPolarHBondContact O-CB 3.48Å; Q924-R927 PolarHBondContact O-N 3.36Å; Q924-D928 PolarHBondContact O-N 3.09Å; Q924-D928 VanDerWaalsContact O-OD1 3.12Å
925M66.4Low61.5Low76 Ų76103.1 Ų103.137%0.37455%0.546SS..Hα-helixtrans-57-36.8178.2-67.7174.564.600112.6L910 T921 L922 R927 M929L910-M925 HydrophobicContact CD2-SD 4.33Å; T921-M925 HydrophobicContact CG2-SD 4.45Å; T921-M925 WeakPolarHBondContact O-CG 3.35Å; T921-M925 PolarHBondContact O-N 3.45Å; L922-M925 PolarHBondContact O-N 3.11Å; M925-R927 VanDerWaalsContact C-N 3.3Å; M925-R927 PolarHBondContact O-N 2.74Å; M925-M929 WeakPolarHBondContact O-CG 3.48Å; M925-M929 PolarHBondContact O-N 2.87Å
926A63.2Low60.5Low39 Ų39105.8 Ų105.832%0.32256%0.558SS.*Hα-helixtrans-76.7-7174.300000114.9L922 Q924 R930L922-A926 VanDerWaalsContact O-CB 3.27Å; L922-A926 WeakPolarHBondContact O-CB 3.44Å; L922-A926 PolarHBondContact O-N 2.73Å; Q924-A926 PolarHBondContact O-N 2.81Å; A926-R930 WeakPolarHBondContact O-CD 3.29Å; A926-R930 VanDerWaalsContact O-CG 3.24Å; A926-R930 WeakPolarHBondContact O-CG 3.33Å; A926-R930 PolarHBondContact O-NE 3.12Å
927R67.6Low58.6Low161 Ų161109.1 Ų109.161%0.60858%0.578SS**Hα-helixtrans-91.3-49.1164-82.9-177.9-119.8-161.7-6.1110.6S923 Q924 M925 M929 R930 E931S923-R927 PolarHBondContact O-NE 2.84Å; Q924-R927 CarbonylContact O-C 3.55Å; Q924-R927 WeakPolarHBondContact O-CA 2.94Å; Q924-R927 WeakPolarHBondContact O-CB 3.48Å; Q924-R927 PolarHBondContact O-N 3.36Å; M925-R927 VanDerWaalsContact C-N 3.3Å; M925-R927 PolarHBondContact O-N 2.74Å; R927-M929 PolarHBondContact O-N 3.34Å; R927-R930 CarbonylContact O-C 3.55Å; R927-R930 WeakPolarHBondContact O-CA 3.47Å; R927-R930 WeakPolarHBondContact O-CB 3.4Å; R927-R930 PolarHBondContact O-N 2.78Å; R927-E931 PolarHBondContact O-N 3.46Å
928D65.9Low57Low95 Ų95113.8 Ų113.851%0.50860%0.598SS.*Hα-helixtrans-55-41.8-179.9-58.92.3000110.8Q924 R930 E931 V932Q924-D928 PolarHBondContact O-N 3.09Å; Q924-D928 VanDerWaalsContact O-OD1 3.12Å; D928-R930 PolarHBondContact O-N 3.35Å; D928-E931 PolarHBondContact O-N 2.74Å; D928-V932 WeakPolarHBondContact O-CG2 3.48Å; D928-V932 PolarHBondContact O-N 2.68Å
929M56.5Low54.9Low128 Ų128121.5 Ų121.563%0.63162%0.619SS**Hα-helixtrans-67.7-31.7173.5-67.5-163.5-55.700113.9M925 R927 V932 E933M925-M929 WeakPolarHBondContact O-CG 3.48Å; M925-M929 PolarHBondContact O-N 2.87Å; R927-M929 PolarHBondContact O-N 3.34Å; M929-V932 PolarHBondContact O-N 2.72Å; M929-E933 PolarHBondContact O-N 3.13Å
930R54.4Low52.8Low195 Ų195124.3 Ų124.374%0.73663%0.631SS**Hα-helixtrans-76.5-24.5175.8-69177.4-166.5-167.42.6113.3A926 R927 D928A926-R930 WeakPolarHBondContact O-CD 3.29Å; A926-R930 VanDerWaalsContact O-CG 3.24Å; A926-R930 WeakPolarHBondContact O-CG 3.33Å; A926-R930 PolarHBondContact O-NE 3.12Å; R927-R930 CarbonylContact O-C 3.55Å; R927-R930 WeakPolarHBondContact O-CA 3.47Å; R927-R930 WeakPolarHBondContact O-CB 3.4Å; R927-R930 PolarHBondContact O-N 2.78Å; D928-R930 PolarHBondContact O-N 3.35Å
931E53Low50.7Low161 Ų161122.7 Ų122.775%0.75263%0.633SS**Hα-helixtrans-77.6-24.5170.5-69.1-171.4162.700111.9R927 D928R927-E931 PolarHBondContact O-N 3.46Å; D928-E931 PolarHBondContact O-N 2.74Å
932V50.6Low48.6Very low125 Ų125128.2 Ų128.276%0.75867%0.667SS**Hα-helixtrans-78.5-37.1171.7172.50000112.2D928 M929 G934D928-V932 WeakPolarHBondContact O-CG2 3.48Å; D928-V932 PolarHBondContact O-N 2.68Å; M929-V932 PolarHBondContact O-N 2.72Å; V932-G934 PolarHBondContact O-N 3.34Å
933E43.7Very low46.6Very low158 Ų158131.7 Ų131.774%0.73868%0.681SS**SBendtrans-81.652.9177.1-68.1-170.314500113.7M929 L935M929-E933 PolarHBondContact O-N 3.13Å; E933-L935 PolarHBondContact O-N 3.42Å
934G40.4Very low44.7Very low69 Ų69136.2 Ų136.271%0.71171%0.706SS**  trans-75.282.6179.500000114.6V932V932-G934 PolarHBondContact O-N 3.34Å
935L35.9Very low42.7Very low171 Ų171136.9 Ų136.990%0.89572%0.717SS**  trans-103.5126.2167-88.7168.9000112.2E933E933-L935 PolarHBondContact O-N 3.42Å
936Q42.3Very low40.9Very low190 Ų190137.1 Ų137.189%0.88873%0.731SS**  trans-78.9132.3-178.5-65.2178.2-23.400112.4
937V30Very low39.2Very low155 Ų155144.7 Ų144.794%0.93976%0.757SS**  trans-134.1139.8151.2-177.10000108.9
938Q32.2Very low38.3Very low165 Ų165142 Ų14277%0.77176%0.76SS**  trans-119.7126.9-169.1179.4-163.571.900110
939R27.1Very low36.5Very low226 Ų226142.8 Ų142.885%0.85377%0.773SS**  trans169.5159.8136.7-94.5162.5-175.6-159.4-1.2114.7
940S26.7Very low35.3Very low108 Ų108143 Ų14376%0.75577%0.773SS**  trans-50.5163163.553.30000113.5
941S26.9Very low34.3Very low93 Ų93140.4 Ų140.465%0.6577%0.769SS**  cis-167.9-173.545.159.30000115.6
942T26.3Very low33.3Very low121 Ų121141.5 Ų141.574%0.74277%0.766SS**  trans76.3120.9147.935.40000121.8
943Q31.4Very low32.3Very low171 Ų171139 Ų13980%0.79977%0.766SS**  trans-33.2150163.3-57155.5-65.200118.7
944V28.7Very low31.7Very low147 Ų147143 Ų14389%0.89177%0.774SS**  -142.1157.2128.6-177.60000108.4
945V27.9Very low31.3Very low121 Ų121145 Ų14573%0.73377%0.773SS**  trans-132.1131.3-171.2171.90000113
946A28.7Very low31.2Very low80 Ų80145.5 Ų145.566%0.66177%0.77SS**  trans61.9176.4162.400000117.2
947F26.8Very low30.6Very low199 Ų199143.5 Ų143.587%0.87377%0.766SS**  cis-148.6-157.310.9-132.3-30.1000111.8
948P49.3Very low30.7Very low103 Ų103145.3 Ų145.367%0.66976%0.756SS**  trans-129.9177.1-138.446.1-28.6000118.8
949S28.6Very low30.7Very low113 Ų113147.1 Ų147.179%0.7976%0.755SS**  trans-178.7139.5135.426.60000109
950E30.6Very low31Very low133 Ų133140.6 Ų140.662%0.62175%0.75SS**  64.2129.554.6-112.7-154.4-17300113R952E950-R952 IonicContact OE1-CZ 3.46Å; E950-R952 IonicContact OE1-NE 3.16Å; E950-R952 PolarHBondContact OE1-NE 2.85Å; E950-R952 VanDerWaalsContact OE1-NE 3.16Å; E950-R952 IonicContact OE1-NH2 3.66Å; E950-R952 PolarHBondContact OE1-NH2 2.85Å; E950-R952 IonicContact OE2-CZ 3.01Å; E950-R952 IonicContact OE2-NE 2.72Å; E950-R952 IonicContact OE2-NH2 2.74Å; E950-R952 PolarHBondContact OE2-NH2 3.04Å
951Q33.7Very low31.2Very low139 Ų139140.1 Ų140.165%0.6575%0.746SS**  cis-153.8175.729.7-68.5-171.616.300111.3
952R31Very low31.4Very low185 Ų185141 Ų14170%0.69875%0.752SS**  cis-169.8159.8-26.7-92.9165.5-168.7166.9-6.9107.6E950E950-R952 IonicContact OE1-CZ 3.46Å; E950-R952 IonicContact OE1-NE 3.16Å; E950-R952 PolarHBondContact OE1-NE 2.85Å; E950-R952 VanDerWaalsContact OE1-NE 3.16Å; E950-R952 IonicContact OE1-NH2 3.66Å; E950-R952 PolarHBondContact OE1-NH2 2.85Å; E950-R952 IonicContact OE2-CZ 3.01Å; E950-R952 IonicContact OE2-NE 2.72Å; E950-R952 IonicContact OE2-NH2 2.74Å; E950-R952 PolarHBondContact OE2-NH2 3.04Å
953G29.5Very low31.8Very low73 Ų73139.8 Ų139.875%0.75376%0.755SS**  trans138.399.3174.400000113.8
954R31.7Very low31.9Very low241 Ų241138.8 Ų138.891%0.90976%0.761SS**  60.9126.858.6-86.1-161.5176.3-172.40113.9
955T32Very low32.2Very low112 Ų112143.1 Ų143.169%0.68776%0.761SS**  cis-165.3174.6-1.9-11.20000112.9
956Q33Very low32.4Very low181 Ų181149.7 Ų149.785%0.84677%0.773SS**  trans70.9118.5164.6-66.4171.812.700116.9
957N30Very low32.4Very low147 Ų147157.4 Ų157.479%0.78679%0.785SS**  cis91.713610-155.4-2000117.2
958R32.9Very low32.5Very low194 Ų194151.7 Ų151.773%0.73278%0.775SS**  trans77.2147.3176.4-65.4-175.4167.8175.1-2.5115.8
959R32.8Very low31.6Very low202 Ų202152.4 Ų152.476%0.76278%0.782SS**  cis-161.1152.75.1-133.8174-178.8171.4-3.9112.9
960A32.3Very low31.7Very low89 Ų89155.2 Ų155.274%0.73679%0.785SS**  trans60.1152.1137.100000121.4
961S31.2Very low31.8Very low98 Ų98157.5 Ų157.569%0.68580%0.795SS**  cis-169.2174.4-16.9530000112.1
962S31.9Very low31.8Very low111 Ų111154.7 Ų154.778%0.77680%0.796SS**  trans65.3118.3145.3510000119.5
963A34.1Very low31.9Very low97 Ų97154.5 Ų154.580%0.80280%0.803SS**  trans-97.8161.4166.800000111.7
964T33.9Very low32.1Very low149 Ų149159 Ų15991%0.91480%0.804SS**  trans-147.4148.1158.10.20000111.8
965R33.6Very low32.5Very low239 Ų239157.9 Ų157.990%0.90280%0.8SS**  trans-83.3149.4178.7-63.4168.5169.7164.3-6.4111.5
966R32Very low32.9Very low259 Ų259165.5 Ų165.598%0.97783%0.828SS**  trans-155174.3133.9-112.7168.1-171.7-173.71.5111.3
967R29.8Very low32.9Very low241 Ų241164.7 Ų164.791%0.90983%0.827SS**  trans-145.5150.1-156-168.1-170.5-170.8-170.74.1111.3
968A29.3Very low33.1Very low80 Ų80165.6 Ų165.666%0.66183%0.829SS**  trans77.7143.9158.900000119.9
969S29.9Very low33.1Very low118 Ų118164.1 Ų164.183%0.82583%0.834SS**  trans59.2154.1153.153.50000120.9
970M31.8Very low33.1Very low171 Ų171161.8 Ų161.884%0.84284%0.839SS**  cis-178.3166.5-37.2-143.4178.6176.600106.5
971Q32Very low33.2Very low181 Ų181166.4 Ų166.485%0.84685%0.845SS**  trans66.5153.5171.2-65.6178.6-13.300115.7
972A32.6Very low33.3Very low80 Ų80170.9 Ų170.966%0.66186%0.856SS**  cis-162.7164.4-22.300000110.6
973Q34.2Very low33.4Very low182 Ų182175.2 Ų175.285%0.8586%0.861SS**  trans42.2120.2153.3-68.7175.5-16.900120.8
974Q34Very low33.3Very low167 Ų167181.2 Ų181.278%0.7887%0.866SS**  -174.3123.9113.4-99.3177.633.600110.3
975R39.3Very low33.3Very low218 Ų218183.9 Ų183.982%0.82386%0.862SS**  66.1107.3101.5-74.8-174.9172.8179.6-4.9115.6
976Q41Very low33.3Very low271 Ų271178.9 Ų178.9100%1.26686%0.858SS**  -133088.4-96.9179.4-16.400109.3

Retrieved 976 of 976 residues in 499.7 ms (Link to these results)

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