A0A5K4F400_SCHMA Loading...

Serpin, putative

AlphaFold DB , UniProt , Accession A0A5K4F400, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 387 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
1M64.6Low87.6Confident107 Ų10738.5 Ų38.553%0.52719%0.189SC..  0125.40-68.9177.372.800106.8A3 L4 E73 Q76 L77M1-A3 VanDerWaalsContact C-N 3.3Å; M1-L4 HydrophobicContact CB-CB 4.14Å; M1-L4 PolarHBondContact O-N 2.9Å; M1-E73 WeakPolarHBondContact CB-OE2 3.49Å; M1-E73 HydrophobicContact CE-CB 3.55Å; M1-E73 HydrophobicContact CE-CG 3.72Å; M1-Q76 HydrophobicContact CE-CB 4.32Å; M1-L77 HydrophobicContact CE-CG 4.32Å
2E78Confident88.2Confident45 Ų4536.8 Ų36.821%0.2118%0.181CC..Hα-helixtrans-67.5-37-179.8-17271.2177.600110.1L4 K5 S6 S62 L65 E73E2-L4 PolarHBondContact O-N 3.02Å; E2-K5 PolarHBondContact O-N 3.25Å; E2-S6 PolarHBondContact O-N 2.67Å; E2-S6 PolarHBondContact O-OG 2.66Å; E2-S6 VanDerWaalsContact O-OG 3.1Å; E2-S62 WeakPolarHBondContact OE1-CB 3.4Å; E2-S62 PolarHBondContact OE1-OG 2.88Å; E2-L65 HydrophobicContact CB-CD1 3.45Å; E2-L65 VanDerWaalsContact CB-CD1 3.45Å; E2-L65 HydrophobicContact CG-CD1 3.58Å; E2-E73 PolarHBondContact N-OE2 2.94Å
3A84.9Confident88.6Confident1 Ų140.3 Ų40.31%0.00819%0.191CC..Hα-helixtrans-57.3-32.9176.700000112.7M1 S6 L7 E73 I74 L77M1-A3 VanDerWaalsContact C-N 3.3Å; A3-S6 VanDerWaalsContact C-OG 3.31Å; A3-S6 WeakPolarHBondContact CA-OG 2.93Å; A3-S6 PolarHBondContact O-OG 3.42Å; A3-L7 WeakPolarHBondContact O-CB 3.45Å; A3-L7 PolarHBondContact O-N 3.14Å; A3-E73 HydrophobicContact CB-CB 3.56Å; A3-E73 HydrophobicContact CB-CG 4.5Å; A3-E73 VanDerWaalsContact CB-OE2 3.25Å; A3-E73 WeakPolarHBondContact CB-OE2 3.48Å; A3-E73 PolarHBondContact N-OE2 3.16Å; A3-I74 HydrophobicContact CB-CG1 4.34Å; A3-L77 HydrophobicContact CB-CD1 4.29Å
4L87Confident89Confident54 Ų5437.4 Ų37.428%0.28318%0.178SC..Hα-helixtrans-69.2-45.3175.9-178.266000111M1 E2 L7 T8 L374M1-L4 HydrophobicContact CB-CB 4.14Å; M1-L4 PolarHBondContact O-N 2.9Å; E2-L4 PolarHBondContact O-N 3.02Å; L4-L7 PolarHBondContact O-N 3.01Å; L4-T8 PolarHBondContact O-N 3.21Å; L4-T8 PolarHBondContact O-OG1 2.89Å; L4-T8 VanDerWaalsContact O-OG1 3.11Å; L4-L374 HydrophobicContact CD1-CB 4.24Å; L4-L374 HydrophobicContact CD1-CD1 3.81Å; L4-L374 HydrophobicContact CD1-CD2 3.9Å; L4-L374 HydrophobicContact CD1-CG 4.2Å
5K88.6Confident89.4Confident124 Ų12435.6 Ų35.654%0.53917%0.168SC..Hα-helixtrans-66.6-45.5179.6-177.9-174.2174.3-165.80111.2E2 L7 T8 N9E2-K5 PolarHBondContact O-N 3.25Å; K5-L7 VanDerWaalsContact C-N 3.34Å; K5-T8 PolarHBondContact O-N 3.06Å; K5-N9 VanDerWaalsContact O-CG 3.29Å; K5-N9 PolarHBondContact O-N 3.2Å; K5-N9 PolarHBondContact O-ND2 3Å
6S92.3Very high89.6Confident0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-62.5-41.7176.359.60000111.3E2 A3 N9 F10 Y37 M59 Q60E2-S6 PolarHBondContact O-N 2.67Å; E2-S6 PolarHBondContact O-OG 2.66Å; E2-S6 VanDerWaalsContact O-OG 3.1Å; A3-S6 VanDerWaalsContact C-OG 3.31Å; A3-S6 WeakPolarHBondContact CA-OG 2.93Å; A3-S6 PolarHBondContact O-OG 3.42Å; S6-N9 PolarHBondContact O-N 2.97Å; S6-F10 VanDerWaalsContact O-CB 3.23Å; S6-F10 WeakPolarHBondContact O-CB 3.46Å; S6-F10 PolarHBondContact O-N 2.87Å; S6-Y37 WeakPolarHBondContact CB-OH 3.4Å; S6-Y37 PolarHBondContact OG-OH 3.22Å; S6-M59 WeakPolarHBondContact CB-O 3.19Å; S6-Q60 WeakPolarHBondContact CB-O 3.3Å
7L93.5Very high89.9Confident1 Ų136 Ų361%0.00517%0.171CC..Hα-helixtrans-63.2-43.1175.4170.957.2000112.5A3 L4 K5 F10 T11 F34 Y37 L374A3-L7 WeakPolarHBondContact O-CB 3.45Å; A3-L7 PolarHBondContact O-N 3.14Å; L4-L7 PolarHBondContact O-N 3.01Å; K5-L7 VanDerWaalsContact C-N 3.34Å; L7-F10 HydrophobicContact CD1-CD1 4.45Å; L7-F10 PolarHBondContact O-N 2.94Å; L7-T11 VanDerWaalsContact O-CB 3.25Å; L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 PolarHBondContact O-N 3.32Å; L7-T11 PolarHBondContact O-OG1 2.89Å; L7-F34 HydrophobicContact CD2-CD2 3.65Å; L7-F34 HydrophobicContact CD2-CE2 4.16Å; L7-Y37 HydrophobicContact CB-CD1 4.24Å; L7-Y37 HydrophobicContact CB-CD2 4.43Å; L7-Y37 HydrophobicContact CB-CE1 4.2Å; L7-Y37 HydrophobicContact CB-CE2 4.38Å; L7-Y37 HydrophobicContact CB-CG 4.36Å; L7-Y37 VanDerWaalsContact CD1-CB 3.48Å; L7-Y37 HydrophobicContact CD1-CD1 4.01Å; L7-Y37 HydrophobicContact CD1-CD2 3.92Å; L7-Y37 HydrophobicContact CD1-CG 3.54Å; L7-Y37 HydrophobicContact CG-CG 4.43Å; L7-L374 HydrophobicContact CD2-CD1 3.65Å; L7-L374 HydrophobicContact CD2-CD2 3.95Å; L7-L374 HydrophobicContact CD2-CG 4.35Å; L7-L374 HydrophobicContact CG-CD1 3.91Å
8T92.1Very high90Very high19 Ų1934.7 Ų34.712%0.11717%0.165CC..Hα-helixtrans-60.6-47.8174.9-660000111.2L4 K5 F10 T11 D12 S257L4-T8 PolarHBondContact O-N 3.21Å; L4-T8 PolarHBondContact O-OG1 2.89Å; L4-T8 VanDerWaalsContact O-OG1 3.11Å; K5-T8 PolarHBondContact O-N 3.06Å; T8-F10 PolarHBondContact O-N 2.82Å; T8-T11 WeakPolarHBondContact O-CB 3.43Å; T8-T11 PolarHBondContact O-N 3.12Å; T8-D12 PolarHBondContact O-N 3.44Å; T8-S257 WeakPolarHBondContact CG2-OG 3.43Å
9N92.5Very high90Very high71 Ų7133.3 Ų33.338%0.3816%0.158SC..Hα-helixtrans-63.6-42.4177.9-68-17.1000112.2K5 S6 T11 R13 Q60K5-N9 VanDerWaalsContact O-CG 3.29Å; K5-N9 PolarHBondContact O-N 3.2Å; K5-N9 PolarHBondContact O-ND2 3Å; S6-N9 PolarHBondContact O-N 2.97Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact O-N 3.26Å; N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 PolarHBondContact O-N 2.96Å; N9-R13 VanDerWaalsContact O-N 3.08Å; N9-Q60 HydrophobicContact CB-CB 3.88Å; N9-Q60 HydrophobicContact CB-CG 3.86Å
10F94.9Very high90Very high1 Ų136.2 Ų36.20%0.00418%0.175CC..Hα-helixtrans-59.3-44.2173.9169.5-95.9000110.7S6 L7 T8 R13 F14 I36 Y37 L40 Q60 L293S6-F10 VanDerWaalsContact O-CB 3.23Å; S6-F10 WeakPolarHBondContact O-CB 3.46Å; S6-F10 PolarHBondContact O-N 2.87Å; L7-F10 HydrophobicContact CD1-CD1 4.45Å; L7-F10 PolarHBondContact O-N 2.94Å; T8-F10 PolarHBondContact O-N 2.82Å; F10-R13 PolarHBondContact O-N 3.34Å; F10-F14 HydrophobicContact CE1-CB 4.22Å; F10-F14 HydrophobicContact CE1-CG 4.37Å; F10-F14 HydrophobicContact CE2-CB 4.27Å; F10-F14 HydrophobicContact CZ-CB 4.06Å; F10-F14 HydrophobicContact CZ-CD2 4.26Å; F10-F14 HydrophobicContact CZ-CG 4.03Å; F10-F14 WeakPolarHBondContact O-CB 3.09Å; F10-F14 PolarHBondContact O-N 2.83Å; F10-I36 HydrophobicContact CE1-CG2 4.25Å; F10-I36 HydrophobicContact CZ-CG2 3.93Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.04Å; F10-Y37 AromaticContact CD1-CD2 3.61Å; F10-Y37 HydrophobicContact CD1-CD2 3.61Å; F10-Y37 HydrophobicContact CD1-CG 4.37Å; F10-Y37 HydrophobicContact CD2-CD2 4.35Å; F10-Y37 HydrophobicContact CE1-CD2 4.21Å; F10-Y37 AromaticContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CE2 4.21Å; F10-L40 HydrophobicContact CE2-CD1 3.65Å; F10-L40 HydrophobicContact CZ-CD1 3.69Å; F10-Q60 HydrophobicContact CB-CG 4.26Å; F10-L293 HydrophobicContact CD2-CD1 4.34Å; F10-L293 HydrophobicContact CE2-CD1 3.74Å
11T95.3Very high89.9Confident1 Ų136.6 Ų36.61%0.00618%0.176CC..Hα-helixtrans-58.9-51.2-179.6-66.20000111.4L7 T8 N9 Y15 P33 I256 P375 L378L7-T11 VanDerWaalsContact O-CB 3.25Å; L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 PolarHBondContact O-N 3.32Å; L7-T11 PolarHBondContact O-OG1 2.89Å; T8-T11 WeakPolarHBondContact O-CB 3.43Å; T8-T11 PolarHBondContact O-N 3.12Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact O-N 3.26Å; T11-Y15 VanDerWaalsContact O-CB 3.29Å; T11-Y15 WeakPolarHBondContact O-CB 3.39Å; T11-Y15 PolarHBondContact O-N 2.94Å; T11-P33 HydrophobicContact CG2-CB 3.86Å; T11-P33 HydrophobicContact CG2-CG 3.73Å; T11-P33 WeakPolarHBondContact OG1-CB 3.41Å; T11-I256 HydrophobicContact CG2-CD1 4.27Å; T11-P375 HydrophobicContact CG2-CB 4.29Å; T11-P375 HydrophobicContact CG2-CG 4.43Å; T11-L378 HydrophobicContact CG2-CD2 3.39Å
12D94.2Very high90.7Very high18 Ų1832.6 Ų32.610%0.09616%0.159CC..Hα-helixtrans-64.2-45.1-179-72.6-37000111.3T8 E16 Y251 G255 I256T8-D12 PolarHBondContact O-N 3.44Å; D12-E16 WeakPolarHBondContact O-CB 3.47Å; D12-E16 PolarHBondContact O-N 2.85Å; D12-Y251 HydrophobicContact CB-CD2 4Å; D12-Y251 HydrophobicContact CB-CE2 4.2Å; D12-Y251 WeakPolarHBondContact O-CD2 3.34Å; D12-G255 WeakPolarHBondContact OD1-CA 3.34Å; D12-I256 PolarHBondContact OD1-N 2.94Å
13R94Very high90.7Very high82 Ų8238 Ų3831%0.30918%0.184SC..Hα-helixtrans-67.7-42.4179.3-175.8178.8176.1178.5-1.5112.9N9 F10 E16 L17 Y251 L293N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 PolarHBondContact O-N 2.96Å; N9-R13 VanDerWaalsContact O-N 3.08Å; F10-R13 PolarHBondContact O-N 3.34Å; R13-E16 PolarHBondContact O-N 3.49Å; R13-L17 PolarHBondContact O-N 3.02Å; R13-L17 VanDerWaalsContact O-N 3.08Å; R13-Y251 HydrophobicContact CB-CE2 4.25Å; R13-L293 HydrophobicContact CG-CD2 3.99Å
14F94.7Very high90.1Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-66.8-41.6178.8-179.2-109.3000110.5F10 L17 I18 L31 I36 L286 H289 L293F10-F14 HydrophobicContact CE1-CB 4.22Å; F10-F14 HydrophobicContact CE1-CG 4.37Å; F10-F14 HydrophobicContact CE2-CB 4.27Å; F10-F14 HydrophobicContact CZ-CB 4.06Å; F10-F14 HydrophobicContact CZ-CD2 4.26Å; F10-F14 HydrophobicContact CZ-CG 4.03Å; F10-F14 WeakPolarHBondContact O-CB 3.09Å; F10-F14 PolarHBondContact O-N 2.83Å; F14-L17 WeakPolarHBondContact O-CB 3.46Å; F14-L17 PolarHBondContact O-N 2.84Å; F14-I18 HydrophobicContact CD1-CG1 4.39Å; F14-I18 HydrophobicContact CE1-CD1 4.3Å; F14-I18 HydrophobicContact CE1-CG1 4.06Å; F14-I18 HydrophobicContact CE2-CD1 4.45Å; F14-I18 HydrophobicContact CZ-CD1 3.98Å; F14-I18 HydrophobicContact CZ-CG1 4.15Å; F14-I18 WeakPolarHBondContact O-CG1 3.22Å; F14-I18 PolarHBondContact O-N 2.99Å; F14-L31 HydrophobicContact CD1-CD1 4.38Å; F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.07Å; F14-I36 HydrophobicContact CD1-CD1 4.4Å; F14-I36 HydrophobicContact CE1-CD1 3.51Å; F14-I36 HydrophobicContact CZ-CD1 3.93Å; F14-L286 HydrophobicContact CZ-CD1 4.44Å; F14-L286 HydrophobicContact CZ-CD2 3.93Å; F14-H289 HydrophobicContact CE2-CB 4.04Å; F14-L293 HydrophobicContact CB-CD1 4.42Å; F14-L293 HydrophobicContact CD2-CD1 3.79Å
15Y93.8Very high89.7Confident10 Ų1045.2 Ų45.24%0.03923%0.23CC..Hα-helixtrans-66.4-42.3176.4-170.3-126.9000112T11 L17 I18 I19 L247 F365 L378 H380T11-Y15 VanDerWaalsContact O-CB 3.29Å; T11-Y15 WeakPolarHBondContact O-CB 3.39Å; T11-Y15 PolarHBondContact O-N 2.94Å; Y15-L17 PolarHBondContact O-N 3.36Å; Y15-I18 WeakPolarHBondContact O-CB 3.31Å; Y15-I18 PolarHBondContact O-N 2.92Å; Y15-I18 VanDerWaalsContact O-N 3.09Å; Y15-I19 HydrophobicContact CD1-CG1 4.31Å; Y15-I19 HydrophobicContact CD2-CD1 4.28Å; Y15-I19 HydrophobicContact CD2-CG1 4.41Å; Y15-I19 HydrophobicContact CE1-CD1 4.16Å; Y15-I19 HydrophobicContact CE1-CG1 4.1Å; Y15-I19 HydrophobicContact CE2-CD1 3.68Å; Y15-I19 HydrophobicContact CE2-CG1 4.22Å; Y15-I19 HydrophobicContact CG-CG1 4.48Å; Y15-I19 VanDerWaalsContact O-CG1 3.32Å; Y15-I19 WeakPolarHBondContact O-CG1 3.17Å; Y15-I19 PolarHBondContact O-N 2.6Å; Y15-L247 HydrophobicContact CE1-CD2 3.93Å; Y15-L247 WeakPolarHBondContact OH-CD2 3.28Å; Y15-F365 HydrophobicContact CD1-CE2 4.35Å; Y15-F365 AromaticContact CE1-CD2 3.9Å; Y15-F365 HydrophobicContact CE1-CD2 3.9Å; Y15-F365 AromaticContact CE1-CE2 3.51Å; Y15-F365 HydrophobicContact CE1-CE2 3.51Å; Y15-F365 AromaticContact CZ-CE2 3.8Å; Y15-F365 WeakPolarHBondContact OH-CD2 3.22Å; Y15-L378 HydrophobicContact CD1-CD1 4.22Å; Y15-L378 HydrophobicContact CD1-CD2 4.46Å; Y15-L378 HydrophobicContact CD2-CD1 3.16Å; Y15-L378 HydrophobicContact CD2-CG 4.48Å; Y15-L378 HydrophobicContact CE1-CD1 4.46Å; Y15-L378 HydrophobicContact CE2-CD1 3.46Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.46Å; Y15-L378 HydrophobicContact CG-CD1 3.57Å; Y15-L378 HydrophobicContact CG-CD2 4.14Å; Y15-H380 AromaticContact CZ-ND1 3.91Å; Y15-H380 PolarHBondContact OH-ND1 3.02Å
16E93.8Very high89.5Confident56 Ų5641.6 Ų41.626%0.26221%0.213SC..Hα-helixtrans-54.1-43.3172.6-173.4-168.8-152.400111.7D12 R13 I19 N20 Y251D12-E16 WeakPolarHBondContact O-CB 3.47Å; D12-E16 PolarHBondContact O-N 2.85Å; R13-E16 PolarHBondContact O-N 3.49Å; E16-I19 PolarHBondContact O-N 3.07Å; E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 VanDerWaalsContact O-CG 3.3Å; E16-N20 PolarHBondContact O-N 3.2Å; E16-N20 PolarHBondContact O-ND2 2.9Å; E16-Y251 HydrophobicContact CB-CD1 4.45Å; E16-Y251 HydrophobicContact CB-CD2 3.88Å; E16-Y251 HydrophobicContact CB-CE2 4.44Å; E16-Y251 HydrophobicContact CB-CG 3.87Å; E16-Y251 VanDerWaalsContact CD-CG 3.41Å; E16-Y251 HydrophobicContact CG-CD1 4.04Å; E16-Y251 HydrophobicContact CG-CD2 4.36Å; E16-Y251 HydrophobicContact CG-CG 3.87Å; E16-Y251 WeakPolarHBondContact OE1-CD1 3.09Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.4Å; E16-Y251 VanDerWaalsContact OE2-CD1 3.24Å; E16-Y251 WeakPolarHBondContact OE2-CD1 3.35Å; E16-Y251 WeakPolarHBondContact OE2-CE1 3.27Å; E16-Y251 VanDerWaalsContact OE2-CZ 3.26Å
17L93.4Very high89.2Confident22 Ų2248.4 Ų48.412%0.11525%0.245CC..Hα-helixtrans-61-46.6176.3-178.5157.9000111.8R13 F14 Y15 I19 N20 E21 H289 K292 L293R13-L17 PolarHBondContact O-N 3.02Å; R13-L17 VanDerWaalsContact O-N 3.08Å; F14-L17 WeakPolarHBondContact O-CB 3.46Å; F14-L17 PolarHBondContact O-N 2.84Å; Y15-L17 PolarHBondContact O-N 3.36Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.08Å; L17-N20 PolarHBondContact O-N 3.33Å; L17-E21 HydrophobicContact CD2-CG 4.39Å; L17-E21 VanDerWaalsContact CD2-OE1 3.28Å; L17-E21 WeakPolarHBondContact CD2-OE1 3.39Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 2.83Å; L17-E21 VanDerWaalsContact O-N 3.12Å; L17-H289 WeakPolarHBondContact CD1-O 3.17Å; L17-H289 HydrophobicContact CD2-CB 3.85Å; L17-K292 HydrophobicContact CD1-CB 3.7Å; L17-L293 HydrophobicContact CD1-CD2 3.61Å; L17-L293 HydrophobicContact CD1-CG 3.8Å
18I91.8Very high89Confident13 Ų1349.9 Ų49.97%0.06725%0.253CS..Hα-helixtrans-58.6-44.2176.8-65-72.7000110.9F14 Y15 E21 S22 T29 L31 H289F14-I18 HydrophobicContact CD1-CG1 4.39Å; F14-I18 HydrophobicContact CE1-CD1 4.3Å; F14-I18 HydrophobicContact CE1-CG1 4.06Å; F14-I18 HydrophobicContact CE2-CD1 4.45Å; F14-I18 HydrophobicContact CZ-CD1 3.98Å; F14-I18 HydrophobicContact CZ-CG1 4.15Å; F14-I18 WeakPolarHBondContact O-CG1 3.22Å; F14-I18 PolarHBondContact O-N 2.99Å; Y15-I18 WeakPolarHBondContact O-CB 3.31Å; Y15-I18 PolarHBondContact O-N 2.92Å; Y15-I18 VanDerWaalsContact O-N 3.09Å; I18-E21 PolarHBondContact O-N 2.89Å; I18-S22 PolarHBondContact O-N 2.61Å; I18-S22 PolarHBondContact O-OG 3.22Å; I18-T29 HydrophobicContact CG2-CG2 4.1Å; I18-L31 HydrophobicContact CD1-CD2 4.32Å; I18-L31 HydrophobicContact CG1-CD2 4.04Å; I18-L31 HydrophobicContact CG2-CD2 4.39Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.34Å
19I90.9Very high88.9Confident8 Ų850 Ų504%0.04125%0.254CS..Hα-helixtrans-62.4-44178.3-66-37.9000111.8Y15 E16 L17 E21 S22 W26 L247 H380Y15-I19 HydrophobicContact CD1-CG1 4.31Å; Y15-I19 HydrophobicContact CD2-CD1 4.28Å; Y15-I19 HydrophobicContact CD2-CG1 4.41Å; Y15-I19 HydrophobicContact CE1-CD1 4.16Å; Y15-I19 HydrophobicContact CE1-CG1 4.1Å; Y15-I19 HydrophobicContact CE2-CD1 3.68Å; Y15-I19 HydrophobicContact CE2-CG1 4.22Å; Y15-I19 HydrophobicContact CG-CG1 4.48Å; Y15-I19 VanDerWaalsContact O-CG1 3.32Å; Y15-I19 WeakPolarHBondContact O-CG1 3.17Å; Y15-I19 PolarHBondContact O-N 2.6Å; E16-I19 PolarHBondContact O-N 3.07Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.08Å; I19-E21 PolarHBondContact O-N 3.06Å; I19-S22 WeakPolarHBondContact O-CB 3.3Å; I19-S22 PolarHBondContact O-N 3Å; I19-S22 PolarHBondContact O-OG 2.86Å; I19-W26 HydrophobicContact CD1-CZ3 4.22Å; I19-W26 HydrophobicContact CG2-CH2 3.61Å; I19-W26 HydrophobicContact CG2-CZ3 3.86Å; I19-L247 HydrophobicContact CD1-CD1 3.96Å; I19-L247 HydrophobicContact CG1-CB 4.35Å; I19-L247 HydrophobicContact CG2-CB 4.09Å; I19-H380 VanDerWaalsContact CD1-CE1 3.44Å; I19-H380 WeakPolarHBondContact CD1-CE1 3.35Å
20N90.6Very high88.7Confident90 Ų9047.7 Ų47.748%0.48124%0.24SC..Hα-helixtrans-66.5-26.9179.7-73.2-30.1000112.8E16 L17E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 VanDerWaalsContact O-CG 3.3Å; E16-N20 PolarHBondContact O-N 3.2Å; E16-N20 PolarHBondContact O-ND2 2.9Å; L17-N20 PolarHBondContact O-N 3.33Å
21E86.8Confident88.6Confident46 Ų4647.7 Ų47.722%0.21524%0.24CC..Hα-helixtrans-78.9-16.1176.8-73-168-166.300114.2L17 I18 I19 H23 H289 K292L17-E21 HydrophobicContact CD2-CG 4.39Å; L17-E21 VanDerWaalsContact CD2-OE1 3.28Å; L17-E21 WeakPolarHBondContact CD2-OE1 3.39Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 2.83Å; L17-E21 VanDerWaalsContact O-N 3.12Å; I18-E21 PolarHBondContact O-N 2.89Å; I19-E21 PolarHBondContact O-N 3.06Å; E21-H23 PolarHBondContact O-CD2 3.07Å; E21-H23 PolarHBondContact O-N 3.41Å; E21-H23 VanDerWaalsContact O-N 3.12Å; E21-H289 VanDerWaalsContact CD-CD2 3.46Å; E21-H289 IonicContact OE1-CD2 2.72Å; E21-H289 IonicContact OE2-CD2 3.77Å; E21-H289 PolarHBondContact OE2-CD2 3.49Å; E21-H289 VanDerWaalsContact OE2-CD2 3.24Å; E21-H289 IonicContact OE2-CE1 2.57Å; E21-H289 IonicContact OE2-NE2 2.64Å; E21-H289 PolarHBondContact OE2-NE2 2.87Å; E21-H289 VanDerWaalsContact OE2-NE2 3.15Å; E21-K292 WeakPolarHBondContact OE1-CD 3.31Å; E21-K292 WeakPolarHBondContact OE1-CE 3.4Å; E21-K292 IonicContact OE1-NZ 3.62Å; E21-K292 PolarHBondContact OE1-NZ 3.05Å; E21-K292 IonicContact OE2-NZ 3.82Å
22S81.7Confident88.6Confident22 Ų2247.6 Ų47.615%0.15424%0.24CC..THydrogen-bonded Turntrans-64-16.7176.4-540000112.5I18 I19 G24 Q25I18-S22 PolarHBondContact O-N 2.61Å; I18-S22 PolarHBondContact O-OG 3.22Å; I19-S22 WeakPolarHBondContact O-CB 3.3Å; I19-S22 PolarHBondContact O-N 3Å; I19-S22 PolarHBondContact O-OG 2.86Å; S22-G24 PolarHBondContact O-N 2.96Å; S22-Q25 WeakPolarHBondContact O-CA 3.41Å; S22-Q25 WeakPolarHBondContact O-CB 3.46Å; S22-Q25 PolarHBondContact O-N 2.82Å
23H77.8Confident88.6Confident160 Ų16046.8 Ų46.874%0.74124%0.235SC*.THydrogen-bonded Turntrans48.930.3177.2-64.4-61.9000114.4E21 Q25E21-H23 PolarHBondContact O-CD2 3.07Å; E21-H23 PolarHBondContact O-N 3.41Å; E21-H23 VanDerWaalsContact O-N 3.12Å; H23-Q25 VanDerWaalsContact C-N 3.28Å; H23-Q25 PolarHBondContact O-N 2.79Å
24G73.1Confident88.7Confident54 Ų5442.9 Ų42.956%0.55722%0.221SC*.THydrogen-bonded Turntrans80.7-2.1-17600000115.3S22 W26S22-G24 PolarHBondContact O-N 2.96Å; G24-W26 VanDerWaalsContact O-CD1 3.24Å; G24-W26 PolarHBondContact O-N 2.88Å
25Q78.7Confident88.7Confident152 Ų15242.9 Ų42.971%0.7122%0.221SC*.  trans-89.390.5168.3-64.2-176.5-16.700109S22 H23 E27S22-Q25 WeakPolarHBondContact O-CA 3.41Å; S22-Q25 WeakPolarHBondContact O-CB 3.46Å; S22-Q25 PolarHBondContact O-N 2.82Å; H23-Q25 VanDerWaalsContact C-N 3.28Å; H23-Q25 PolarHBondContact O-N 2.79Å; Q25-E27 PolarHBondContact O-N 2.93Å
26W82.9Confident88.8Confident48 Ų4842.4 Ų42.418%0.18222%0.219CC..  trans-86107.9-176.2-59.798.1000111I19 G24 L192 P244 L247 H380 T382I19-W26 HydrophobicContact CD1-CZ3 4.22Å; I19-W26 HydrophobicContact CG2-CH2 3.61Å; I19-W26 HydrophobicContact CG2-CZ3 3.86Å; G24-W26 VanDerWaalsContact O-CD1 3.24Å; G24-W26 PolarHBondContact O-N 2.88Å; W26-L192 HydrophobicContact CB-CD1 3.48Å; W26-L192 VanDerWaalsContact CB-CD1 3.48Å; W26-L192 HydrophobicContact CG-CD1 3.78Å; W26-P244 HydrophobicContact CD2-CG 4.45Å; W26-P244 HydrophobicContact CH2-CB 4.39Å; W26-P244 HydrophobicContact CZ2-CB 3.6Å; W26-P244 HydrophobicContact CZ2-CG 4.04Å; W26-L247 HydrophobicContact CE3-CD1 4.01Å; W26-L247 HydrophobicContact CH2-CB 4.4Å; W26-L247 HydrophobicContact CH2-CD1 4.06Å; W26-L247 HydrophobicContact CZ3-CB 4.49Å; W26-L247 HydrophobicContact CZ3-CD1 3.39Å; W26-H380 AromaticContact CE3-NE2 3.77Å; W26-T382 HydrophobicContact CB-CG2 3.76Å; W26-T382 PolarHBondContact O-OG1 3.01Å
27E86.5Confident88.9Confident143 Ų14339.9 Ų39.967%0.66821%0.207SC*.  trans-107161.8171.2-64.5-177.5172.700110.1Q25 T29 H380Q25-E27 PolarHBondContact O-N 2.93Å; E27-T29 PolarHBondContact O-N 3.22Å; E27-T29 PolarHBondContact O-OG1 2.8Å; E27-H380 PolarHBondContact O-CD2 2.68Å; E27-H380 PolarHBondContact O-NE2 3.29Å; E27-H380 VanDerWaalsContact O-NE2 3.11Å
28N89.9Confident88.9Confident31 Ų3138.9 Ų38.917%0.16620%0.202CC..  trans-56.6125.9171.2-76.5-11.7000109.8L278 H380 V381 T382 S383 N386N28-L278 HydrophobicContact CB-CD2 3.85Å; N28-H380 WeakPolarHBondContact CA-O 3.18Å; N28-V381 WeakPolarHBondContact OD1-CA 3.15Å; N28-T382 PolarHBondContact OD1-N 3.4Å; N28-T382 PolarHBondContact OD1-OG1 2.78Å; N28-S383 PolarHBondContact ND2-O 3.03Å; N28-S383 PolarHBondContact OD1-N 3.3Å; N28-S383 VanDerWaalsContact OD1-N 3.13Å; N28-N386 PolarHBondContact ND2-O 3.37Å
29T89.5Confident89.1Confident22 Ų2238.3 Ų38.314%0.13520%0.199CC..EExtended strand (participates in β ladder)trans-120.2133178.3-62.40000108.6I18 E27 L31 G379 H380I18-T29 HydrophobicContact CG2-CG2 4.1Å; E27-T29 PolarHBondContact O-N 3.22Å; E27-T29 PolarHBondContact O-OG1 2.8Å; T29-L31 HydrophobicContact CG2-CD2 4.26Å; T29-G379 CarbonylContact O-C 3.49Å; T29-G379 WeakPolarHBondContact O-CA 3.48Å; T29-H380 VanDerWaalsContact CB-CE1 3.45Å; T29-H380 WeakPolarHBondContact CB-CE1 3.49Å; T29-H380 PolarHBondContact N-O 2.71Å; T29-H380 PolarHBondContact O-N 2.92Å; T29-H380 PolarHBondContact OG1-CE1 3.25Å; T29-H380 PolarHBondContact OG1-NE2 3.02Å
30F89.5Confident89.4Confident23 Ų2338 Ų3810%0.10120%0.197CC..EExtended strand (participates in β ladder)trans-150.1124.2170.2-164.8-107.2000110.4L278 A324 F326 I366 I368 F377F30-L278 HydrophobicContact CB-CB 3.98Å; F30-L278 HydrophobicContact CB-CD1 3.68Å; F30-L278 HydrophobicContact CB-CG 4.4Å; F30-L278 HydrophobicContact CD2-CD1 3.81Å; F30-L278 HydrophobicContact CG-CB 4.34Å; F30-L278 HydrophobicContact CG-CD1 3.83Å; F30-A324 HydrophobicContact CD1-CB 3.86Å; F30-A324 HydrophobicContact CE1-CB 4.22Å; F30-F326 HydrophobicContact CD1-CB 3.74Å; F30-F326 HydrophobicContact CE1-CB 3.15Å; F30-F326 HydrophobicContact CE1-CG 4.05Å; F30-F326 HydrophobicContact CE2-CB 4.09Å; F30-F326 AromaticContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CG 4.24Å; F30-F326 HydrophobicContact CG-CB 4.42Å; F30-F326 HydrophobicContact CZ-CB 3.32Å; F30-F326 AromaticContact CZ-CD1 3.89Å; F30-F326 HydrophobicContact CZ-CD1 3.89Å; F30-F326 HydrophobicContact CZ-CD2 4.46Å; F30-F326 AromaticContact CZ-CG 3.67Å; F30-F326 HydrophobicContact CZ-CG 3.67Å; F30-I366 HydrophobicContact CD2-CD1 3.81Å; F30-I366 HydrophobicContact CD2-CG1 4.27Å; F30-I366 HydrophobicContact CE2-CD1 3.81Å; F30-I366 HydrophobicContact CE2-CG1 4.29Å; F30-I368 HydrophobicContact CZ-CD1 4.08Å; F30-F377 HydrophobicContact CD1-CD1 4.14Å; F30-F377 HydrophobicContact CE1-CB 3.87Å; F30-F377 AromaticContact CE1-CD1 3.23Å; F30-F377 HydrophobicContact CE1-CD1 3.23Å; F30-F377 AromaticContact CE1-CE1 3.86Å; F30-F377 HydrophobicContact CE1-CE1 3.86Å; F30-F377 AromaticContact CE1-CG 3.79Å; F30-F377 HydrophobicContact CE1-CG 3.79Å; F30-F377 HydrophobicContact CE2-CB 3.72Å; F30-F377 HydrophobicContact CE2-CG 4.5Å; F30-F377 HydrophobicContact CZ-CB 3.25Å; F30-F377 AromaticContact CZ-CD1 3.56Å; F30-F377 HydrophobicContact CZ-CD1 3.56Å; F30-F377 HydrophobicContact CZ-CE1 4.44Å; F30-F377 AromaticContact CZ-CG 3.57Å; F30-F377 HydrophobicContact CZ-CG 3.57Å
31L92.9Very high89.6Confident0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-146.9163.5-17858.682.3000110.8F14 I18 T29 P33 I36 L284 H322 F377 L378F14-L31 HydrophobicContact CD1-CD1 4.38Å; F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.07Å; I18-L31 HydrophobicContact CD1-CD2 4.32Å; I18-L31 HydrophobicContact CG1-CD2 4.04Å; I18-L31 HydrophobicContact CG2-CD2 4.39Å; T29-L31 HydrophobicContact CG2-CD2 4.26Å; L31-P33 HydrophobicContact CD1-CB 4.4Å; L31-P33 HydrophobicContact CD1-CG 3.55Å; L31-P33 WeakPolarHBondContact O-CD 3.35Å; L31-I36 HydrophobicContact CD1-CD1 4.37Å; L31-L284 HydrophobicContact CB-CD1 4.26Å; L31-L284 HydrophobicContact CD2-CD1 3.97Å; L31-H322 WeakPolarHBondContact CA-NE2 3.37Å; L31-F377 VanDerWaalsContact O-CA 3.31Å; L31-F377 WeakPolarHBondContact O-CA 3.04Å; L31-L378 HydrophobicContact CD1-CD1 3.67Å; L31-L378 HydrophobicContact CD1-CG 4.33Å; L31-L378 HydrophobicContact CG-CD1 4.11Å; L31-L378 PolarHBondContact N-O 3.27Å; L31-L378 PolarHBondContact O-N 2.83Å
32S94.6Very high90Very high0 Ų031.7 Ų31.70%017%0.165CC..  trans-11095.2173-178.60000109.7F34 N35 I36 T169 H322 I376S32-F34 PolarHBondContact O-N 2.82Å; S32-N35 PolarHBondContact O-N 2.9Å; S32-N35 WeakPolarHBondContact OG-CB 3.42Å; S32-N35 PolarHBondContact OG-N 2.94Å; S32-N35 VanDerWaalsContact OG-N 3.13Å; S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.37Å; S32-I36 PolarHBondContact O-N 3.23Å; S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; S32-H322 PolarHBondContact N-CE1 3.37Å; S32-H322 PolarHBondContact N-NE2 3.05Å; S32-I376 VanDerWaalsContact CA-O 3.27Å; S32-I376 WeakPolarHBondContact CA-O 3.03Å; S32-I376 VanDerWaalsContact CB-O 3.3Å; S32-I376 WeakPolarHBondContact CB-O 3.47Å; S32-I376 PolarHBondContact OG-O 2.47Å
33P94.3Very high90.7Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-60.4-35.1173.9-13.427.2000110.7T11 L31 N35 I36 Y37 L378T11-P33 HydrophobicContact CG2-CB 3.86Å; T11-P33 HydrophobicContact CG2-CG 3.73Å; T11-P33 WeakPolarHBondContact OG1-CB 3.41Å; L31-P33 HydrophobicContact CD1-CB 4.4Å; L31-P33 HydrophobicContact CD1-CG 3.55Å; L31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-N35 PolarHBondContact O-N 2.85Å; P33-I36 PolarHBondContact O-N 2.87Å; P33-Y37 VanDerWaalsContact O-CB 3.23Å; P33-Y37 WeakPolarHBondContact O-CB 3.44Å; P33-Y37 PolarHBondContact O-N 2.99Å; P33-L378 HydrophobicContact CG-CD1 4.12Å; P33-L378 HydrophobicContact CG-CD2 3.58Å; P33-L378 HydrophobicContact CG-CG 3.56Å
34F95Very high91.6Very high1 Ų123.6 Ų23.60%0.00413%0.126CC..Hα-helixtrans-53-52.3172.9178.1-88.5000112L7 S32 Y37 T38 L77 L78 C81 L92 L374 I376L7-F34 HydrophobicContact CD2-CD2 3.65Å; L7-F34 HydrophobicContact CD2-CE2 4.16Å; S32-F34 PolarHBondContact O-N 2.82Å; F34-Y37 WeakPolarHBondContact O-CB 3.42Å; F34-Y37 PolarHBondContact O-N 2.6Å; F34-T38 HydrophobicContact CE1-CG2 4.22Å; F34-T38 HydrophobicContact CZ-CG2 4.42Å; F34-T38 VanDerWaalsContact O-CG2 3.27Å; F34-T38 WeakPolarHBondContact O-CG2 3.22Å; F34-T38 PolarHBondContact O-N 3.36Å; F34-L77 HydrophobicContact CE2-CB 4.12Å; F34-L77 HydrophobicContact CZ-CB 4.32Å; F34-L78 HydrophobicContact CE1-CD2 3.84Å; F34-L78 HydrophobicContact CZ-CD2 4.2Å; F34-L78 HydrophobicContact CZ-CG 4.48Å; F34-C81 HydrophobicContact CZ-CB 4.18Å; F34-L92 HydrophobicContact CD1-CD1 4.28Å; F34-L92 HydrophobicContact CD1-CD2 3.64Å; F34-L92 HydrophobicContact CE1-CD1 3.59Å; F34-L92 HydrophobicContact CE1-CD2 3.76Å; F34-L92 HydrophobicContact CE1-CG 4.33Å; F34-L374 HydrophobicContact CD2-CD2 3.69Å; F34-L374 HydrophobicContact CD2-CG 4.4Å; F34-L374 HydrophobicContact CE2-CD2 3.82Å; F34-I376 HydrophobicContact CB-CD1 4.24Å; F34-I376 HydrophobicContact CB-CG2 4.32Å; F34-I376 HydrophobicContact CD1-CD1 4.36Å; F34-I376 HydrophobicContact CD1-CG2 4.37Å; F34-I376 HydrophobicContact CD2-CD1 3.61Å; F34-I376 HydrophobicContact CE2-CD1 4.08Å; F34-I376 HydrophobicContact CG-CD1 3.81Å; F34-I376 HydrophobicContact CG-CG2 4.39Å
35N94.6Very high92.6Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-76.1-30.7-177.7-158.845.6000113.1S32 P33 Y37 T38 A39 L92 N94 A167 T168 T169S32-N35 PolarHBondContact O-N 2.9Å; S32-N35 WeakPolarHBondContact OG-CB 3.42Å; S32-N35 PolarHBondContact OG-N 2.94Å; S32-N35 VanDerWaalsContact OG-N 3.13Å; P33-N35 PolarHBondContact O-N 2.85Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; N35-T38 VanDerWaalsContact CA-OG1 3.29Å; N35-T38 WeakPolarHBondContact CA-OG1 3.26Å; N35-T38 PolarHBondContact O-N 2.79Å; N35-T38 PolarHBondContact O-OG1 2.82Å; N35-T38 PolarHBondContact OD1-OG1 3.14Å; N35-T38 VanDerWaalsContact OD1-OG1 3.12Å; N35-A39 WeakPolarHBondContact O-CB 3.02Å; N35-A39 PolarHBondContact O-N 3.01Å; N35-L92 HydrophobicContact CB-CD2 3.72Å; N35-L92 WeakPolarHBondContact OD1-CD2 3.36Å; N35-N94 PolarHBondContact ND2-OD1 3.42Å; N35-N94 PolarHBondContact OD1-ND2 3.4Å; N35-N94 PolarHBondContact OD1-OD1 2.84Å; N35-N94 VanDerWaalsContact OD1-OD1 3.06Å; N35-A167 VanDerWaalsContact ND2-C 3.31Å; N35-T168 PolarHBondContact ND2-N 2.88Å; N35-T168 PolarHBondContact ND2-O 3.4Å; N35-T168 VanDerWaalsContact ND2-O 3.14Å; N35-T169 HydrophobicContact CB-CG2 4.5Å; N35-T169 WeakPolarHBondContact CB-OG1 3.27Å; N35-T169 VanDerWaalsContact CG-OG1 3.29Å; N35-T169 PolarHBondContact ND2-OG1 2.72Å
36I95.9Very high93.4Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-61.5-45.7170.7-66.3168000109.4F10 F14 L31 S32 P33 T38 A39 L40 L286 H322F10-I36 HydrophobicContact CE1-CG2 4.25Å; F10-I36 HydrophobicContact CZ-CG2 3.93Å; F14-I36 HydrophobicContact CD1-CD1 4.4Å; F14-I36 HydrophobicContact CE1-CD1 3.51Å; F14-I36 HydrophobicContact CZ-CD1 3.93Å; L31-I36 HydrophobicContact CD1-CD1 4.37Å; S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.37Å; S32-I36 PolarHBondContact O-N 3.23Å; P33-I36 PolarHBondContact O-N 2.87Å; I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 3.14Å; I36-A39 WeakPolarHBondContact O-CB 3.49Å; I36-A39 PolarHBondContact O-N 2.78Å; I36-L40 HydrophobicContact CG2-CD1 4.4Å; I36-L40 HydrophobicContact CG2-CG 4.47Å; I36-L40 WeakPolarHBondContact O-CG 3.34Å; I36-L40 PolarHBondContact O-N 2.68Å; I36-L286 HydrophobicContact CB-CD1 4.38Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.78Å; I36-L286 HydrophobicContact CG2-CD1 3.7Å; I36-H322 HydrophobicContact CD1-CB 4.28Å; I36-H322 HydrophobicContact CG1-CB 4.09Å
37Y96.1Very high94Very high2 Ų212 Ų121%0.0086%0.061CC..Hα-helixtrans-59.9-41.8177.4-171.1-94.5000112.2S6 L7 F10 P33 F34 N35 A39 L40 G41 M59 L61 I74S6-Y37 WeakPolarHBondContact CB-OH 3.4Å; S6-Y37 PolarHBondContact OG-OH 3.22Å; L7-Y37 HydrophobicContact CB-CD1 4.24Å; L7-Y37 HydrophobicContact CB-CD2 4.43Å; L7-Y37 HydrophobicContact CB-CE1 4.2Å; L7-Y37 HydrophobicContact CB-CE2 4.38Å; L7-Y37 HydrophobicContact CB-CG 4.36Å; L7-Y37 VanDerWaalsContact CD1-CB 3.48Å; L7-Y37 HydrophobicContact CD1-CD1 4.01Å; L7-Y37 HydrophobicContact CD1-CD2 3.92Å; L7-Y37 HydrophobicContact CD1-CG 3.54Å; L7-Y37 HydrophobicContact CG-CG 4.43Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.04Å; F10-Y37 AromaticContact CD1-CD2 3.61Å; F10-Y37 HydrophobicContact CD1-CD2 3.61Å; F10-Y37 HydrophobicContact CD1-CG 4.37Å; F10-Y37 HydrophobicContact CD2-CD2 4.35Å; F10-Y37 HydrophobicContact CE1-CD2 4.21Å; F10-Y37 AromaticContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CE2 4.21Å; P33-Y37 VanDerWaalsContact O-CB 3.23Å; P33-Y37 WeakPolarHBondContact O-CB 3.44Å; P33-Y37 PolarHBondContact O-N 2.99Å; F34-Y37 WeakPolarHBondContact O-CB 3.42Å; F34-Y37 PolarHBondContact O-N 2.6Å; N35-Y37 VanDerWaalsContact C-N 3.32Å; Y37-A39 VanDerWaalsContact C-N 3.34Å; Y37-L40 PolarHBondContact O-N 3.08Å; Y37-G41 PolarHBondContact O-N 3.33Å; Y37-M59 HydrophobicContact CD1-CE 4.12Å; Y37-M59 HydrophobicContact CD2-CE 4.04Å; Y37-M59 HydrophobicContact CE1-CE 3.78Å; Y37-M59 HydrophobicContact CE2-CB 3.79Å; Y37-M59 HydrophobicContact CE2-CE 3.7Å; Y37-M59 HydrophobicContact CE2-CG 4.22Å; Y37-M59 WeakPolarHBondContact CE2-O 3.45Å; Y37-M59 HydrophobicContact CG-CE 4.23Å; Y37-M59 PolarHBondContact OH-O 3.19Å; Y37-L61 VanDerWaalsContact OH-CD2 3.27Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.07Å; Y37-I74 HydrophobicContact CD1-CD1 4.31Å; Y37-I74 HydrophobicContact CD1-CG1 4.49Å; Y37-I74 HydrophobicContact CE1-CD1 3.8Å; Y37-I74 HydrophobicContact CE1-CG1 4.02Å
38T95Very high94.3Very high2 Ų27.9 Ų7.91%0.0124%0.041CC..Hα-helixtrans-66.6-38.3177.159.80000111.6F34 N35 I36 G41 M42 I74 L78 N94 Y116F34-T38 HydrophobicContact CE1-CG2 4.22Å; F34-T38 HydrophobicContact CZ-CG2 4.42Å; F34-T38 VanDerWaalsContact O-CG2 3.27Å; F34-T38 WeakPolarHBondContact O-CG2 3.22Å; F34-T38 PolarHBondContact O-N 3.36Å; N35-T38 VanDerWaalsContact CA-OG1 3.29Å; N35-T38 WeakPolarHBondContact CA-OG1 3.26Å; N35-T38 PolarHBondContact O-N 2.79Å; N35-T38 PolarHBondContact O-OG1 2.82Å; N35-T38 PolarHBondContact OD1-OG1 3.14Å; N35-T38 VanDerWaalsContact OD1-OG1 3.12Å; I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 3.14Å; T38-G41 WeakPolarHBondContact O-CA 3.35Å; T38-G41 PolarHBondContact O-N 2.82Å; T38-G41 VanDerWaalsContact O-N 3.13Å; T38-M42 PolarHBondContact O-N 3.28Å; T38-M42 VanDerWaalsContact O-N 3.14Å; T38-I74 HydrophobicContact CG2-CG2 3.75Å; T38-L78 HydrophobicContact CG2-CD1 3.87Å; T38-L78 HydrophobicContact CG2-CD2 3.5Å; T38-L78 VanDerWaalsContact CG2-CD2 3.5Å; T38-L78 HydrophobicContact CG2-CG 3.62Å; T38-N94 PolarHBondContact OG1-ND2 3.02Å; T38-Y116 VanDerWaalsContact O-CD1 3.27Å; T38-Y116 WeakPolarHBondContact O-CD1 3.46Å; T38-Y116 VanDerWaalsContact O-CE1 3.25Å; T38-Y116 WeakPolarHBondContact O-CE1 3.42Å
39A95.9Very high94.6Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-65.1-38.6173.400000112.3N35 I36 Y37 G41 M42 V43 V165 A167N35-A39 WeakPolarHBondContact O-CB 3.02Å; N35-A39 PolarHBondContact O-N 3.01Å; I36-A39 WeakPolarHBondContact O-CB 3.49Å; I36-A39 PolarHBondContact O-N 2.78Å; Y37-A39 VanDerWaalsContact C-N 3.34Å; A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 2.88Å; A39-M42 WeakPolarHBondContact O-CB 3.01Å; A39-M42 PolarHBondContact O-N 2.99Å; A39-V43 PolarHBondContact O-N 2.92Å; A39-V165 HydrophobicContact CB-CG1 3.81Å; A39-A167 HydrophobicContact CB-CB 3.65Å
40L96.5Very high94.9Very high2 Ų214.7 Ų14.71%0.018%0.077CC..Hα-helixtrans-64.9-33.5170.7-65.6180000111.8F10 I36 Y37 M42 V43 L44 M55 M59 L290 I295F10-L40 HydrophobicContact CE2-CD1 3.65Å; F10-L40 HydrophobicContact CZ-CD1 3.69Å; I36-L40 HydrophobicContact CG2-CD1 4.4Å; I36-L40 HydrophobicContact CG2-CG 4.47Å; I36-L40 WeakPolarHBondContact O-CG 3.34Å; I36-L40 PolarHBondContact O-N 2.68Å; Y37-L40 PolarHBondContact O-N 3.08Å; L40-M42 VanDerWaalsContact C-N 3.28Å; L40-M42 PolarHBondContact O-N 3.41Å; L40-V43 WeakPolarHBondContact O-CB 3.24Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-V43 VanDerWaalsContact O-N 3.13Å; L40-L44 WeakPolarHBondContact O-CB 2.91Å; L40-L44 PolarHBondContact O-N 2.85Å; L40-M55 HydrophobicContact CB-CE 3.82Å; L40-M55 HydrophobicContact CD2-CE 4Å; L40-M55 HydrophobicContact CG-CE 4.44Å; L40-M55 WeakPolarHBondContact O-CE 3.5Å; L40-M59 HydrophobicContact CB-CE 4.09Å; L40-M59 HydrophobicContact CB-CG 4.08Å; L40-M59 HydrophobicContact CB-SD 3.72Å; L40-M59 HydrophobicContact CD1-CG 4.16Å; L40-L290 HydrophobicContact CD1-CD2 3.88Å; L40-L290 HydrophobicContact CD2-CD1 3.81Å; L40-L290 HydrophobicContact CD2-CD2 3.96Å; L40-L290 HydrophobicContact CG-CD2 4.47Å; L40-I295 HydrophobicContact CD1-CD1 4.45Å; L40-I295 HydrophobicContact CD2-CD1 4.21Å
41G95.1Very high95.3Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-59.8-36.7171.300000113.1Y37 T38 A39 L44 S45 Y116Y37-G41 PolarHBondContact O-N 3.33Å; T38-G41 WeakPolarHBondContact O-CA 3.35Å; T38-G41 PolarHBondContact O-N 2.82Å; T38-G41 VanDerWaalsContact O-N 3.13Å; A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 2.88Å; G41-L44 PolarHBondContact O-N 3.2Å; G41-S45 WeakPolarHBondContact O-CB 3.49Å; G41-S45 PolarHBondContact O-N 3.3Å; G41-Y116 VanDerWaalsContact C-OH 3.23Å; G41-Y116 VanDerWaalsContact CA-OH 3.28Å; G41-Y116 WeakPolarHBondContact CA-OH 3.49Å; G41-Y116 PolarHBondContact O-OH 3.47Å
42M95.5Very high95.4Very high3 Ų315.4 Ų15.42%0.0158%0.08CC..Hα-helixtrans-64.5-40.8172.9-57.716851.500111.9T38 A39 L40 S45 G46 N94 L96 L112 Y116 A118T38-M42 PolarHBondContact O-N 3.28Å; T38-M42 VanDerWaalsContact O-N 3.14Å; A39-M42 WeakPolarHBondContact O-CB 3.01Å; A39-M42 PolarHBondContact O-N 2.99Å; L40-M42 VanDerWaalsContact C-N 3.28Å; L40-M42 PolarHBondContact O-N 3.41Å; M42-S45 WeakPolarHBondContact O-CB 3.41Å; M42-S45 PolarHBondContact O-N 2.92Å; M42-G46 PolarHBondContact O-N 2.85Å; M42-N94 HydrophobicContact SD-CB 3.6Å; M42-L96 HydrophobicContact CE-CB 3.93Å; M42-L112 HydrophobicContact CB-CD2 3.61Å; M42-L112 HydrophobicContact CE-CD1 4.1Å; M42-L112 HydrophobicContact CG-CD2 3.87Å; M42-Y116 HydrophobicContact CG-CD1 3.78Å; M42-Y116 HydrophobicContact CG-CD2 4.07Å; M42-Y116 HydrophobicContact CG-CE1 4.42Å; M42-Y116 HydrophobicContact CG-CG 3.58Å; M42-A118 HydrophobicContact CE-CB 3.48Å; M42-A118 VanDerWaalsContact CE-CB 3.48Å; M42-A118 HydrophobicContact CG-CB 4.33Å; M42-A118 HydrophobicContact SD-CB 3.54Å; M42-A118 VanDerWaalsContact SD-CB 3.54Å
43V96.5Very high95.4Very high9 Ų917 Ų176%0.0559%0.093CC..Hα-helixtrans-66.3-43.3176.2179.50000110.3A39 L40 S45 G46 S47 M55 V165 F306 I317A39-V43 PolarHBondContact O-N 2.92Å; L40-V43 WeakPolarHBondContact O-CB 3.24Å; L40-V43 PolarHBondContact O-N 2.91Å; L40-V43 VanDerWaalsContact O-N 3.13Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.87Å; V43-G46 PolarHBondContact O-N 3.49Å; V43-G46 VanDerWaalsContact O-N 3.08Å; V43-S47 PolarHBondContact O-N 2.78Å; V43-S47 VanDerWaalsContact O-N 3.11Å; V43-M55 HydrophobicContact CB-CE 3.68Å; V43-M55 HydrophobicContact CB-SD 4.43Å; V43-M55 HydrophobicContact CG1-CE 3.75Å; V43-M55 HydrophobicContact CG1-CG 4.49Å; V43-M55 HydrophobicContact CG1-SD 3.82Å; V43-V165 HydrophobicContact CG2-CG2 3.76Å; V43-F306 HydrophobicContact CG1-CE1 3.68Å; V43-F306 HydrophobicContact CG1-CZ 3.77Å; V43-I317 HydrophobicContact CG1-CG1 4.09Å; V43-I317 HydrophobicContact CG2-CD1 4.43Å; V43-I317 HydrophobicContact CG2-CG1 4.26Å
44L95.7Very high95.5Very high3 Ų317.9 Ų17.92%0.01610%0.097CC..Hα-helixtrans-59.6-40175.7176.365.6000111.9L40 G41 G46 S47 K52 M55 I56 M59 L61L40-L44 WeakPolarHBondContact O-CB 2.91Å; L40-L44 PolarHBondContact O-N 2.85Å; G41-L44 PolarHBondContact O-N 3.2Å; L44-G46 PolarHBondContact O-N 2.89Å; L44-S47 WeakPolarHBondContact CA-OG 3.17Å; L44-S47 PolarHBondContact O-N 3.46Å; L44-S47 PolarHBondContact O-OG 2.91Å; L44-S47 VanDerWaalsContact O-OG 3.14Å; L44-K52 HydrophobicContact CD1-CG 3.86Å; L44-M55 HydrophobicContact CB-CB 4.38Å; L44-M55 HydrophobicContact CB-CE 4.35Å; L44-M55 HydrophobicContact CD1-CB 3.77Å; L44-I56 HydrophobicContact CD1-CG1 3.9Å; L44-M59 HydrophobicContact CB-SD 4.24Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; L44-L61 HydrophobicContact CD2-CD1 3.62Å
45S94.1Very high95.6Very high12 Ų1217.9 Ų17.98%0.08410%0.097CC..Hα-helixtrans-61.2-24.7177173.10000113G41 M42 V43 H71 N111G41-S45 WeakPolarHBondContact O-CB 3.49Å; G41-S45 PolarHBondContact O-N 3.3Å; M42-S45 WeakPolarHBondContact O-CB 3.41Å; M42-S45 PolarHBondContact O-N 2.92Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.87Å; S45-H71 VanDerWaalsContact CA-CE1 3.48Å; S45-H71 WeakPolarHBondContact CA-CE1 3.3Å; S45-N111 PolarHBondContact OG-ND2 2.71Å
46G95Very high95.5Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-99.5-14-178.400000113.3M42 V43 L44 F108 F306 N308M42-G46 PolarHBondContact O-N 2.85Å; V43-G46 PolarHBondContact O-N 3.49Å; V43-G46 VanDerWaalsContact O-N 3.08Å; L44-G46 PolarHBondContact O-N 2.89Å; G46-F108 VanDerWaalsContact CA-CE2 3.42Å; G46-F306 CarbonylContact O-C 3.48Å; G46-F306 VanDerWaalsContact O-CA 3.24Å; G46-F306 WeakPolarHBondContact O-CA 3.46Å; G46-N308 WeakPolarHBondContact O-CB 3.33Å
47S95.5Very high95.5Very high0 Ų025.4 Ų25.40%013%0.126CC..  trans-89.3155.6-171.763.40000113.1V43 L44 K52 D305 N308V43-S47 PolarHBondContact O-N 2.78Å; V43-S47 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact CA-OG 3.17Å; L44-S47 PolarHBondContact O-N 3.46Å; L44-S47 PolarHBondContact O-OG 2.91Å; L44-S47 VanDerWaalsContact O-OG 3.14Å; S47-K52 WeakPolarHBondContact OG-CA 3.31Å; S47-D305 VanDerWaalsContact CA-O 3.3Å; S47-D305 WeakPolarHBondContact CA-O 3.28Å; S47-N308 PolarHBondContact O-ND2 2.9Å
48E94.5Very high95.5Very high56 Ų5625.3 Ų25.326%0.26213%0.126SC..  trans-137.1170.7172.4-155.752.7-97.900111.4N50 T51 K52 D305 N308E48-N50 PolarHBondContact O-N 3.43Å; E48-T51 WeakPolarHBondContact O-CB 2.91Å; E48-T51 PolarHBondContact O-N 2.77Å; E48-K52 PolarHBondContact O-N 2.67Å; E48-K52 VanDerWaalsContact O-N 3.1Å; E48-K52 WeakPolarHBondContact OE1-CD 3.35Å; E48-K52 IonicContact OE1-NZ 3.24Å; E48-K52 IonicContact OE2-NZ 3.95Å; E48-D305 PolarHBondContact N-O 3.16Å; E48-N308 PolarHBondContact OE2-ND2 2.78Å
49N94.4Very high95.4Very high112 Ų11225.2 Ų25.260%0.59913%0.126SC*.Hα-helixtrans51.7-134.7173.7-65.7-50000113.3T51 K52 A53 D305N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.32Å; N49-K52 WeakPolarHBondContact O-CB 3.27Å; N49-K52 PolarHBondContact O-N 3.34Å; N49-A53 PolarHBondContact O-N 2.89Å; N49-D305 PolarHBondContact ND2-OD2 2.79Å
50N96.6Very high95.3Very high83 Ų8327.7 Ų27.744%0.44414%0.137SC..Hα-helixtrans-65.3-32.2-176.9-168.762.5000112.4E48 K52 A53 E54 D297E48-N50 PolarHBondContact O-N 3.43Å; N50-K52 VanDerWaalsContact C-N 3.29Å; N50-K52 PolarHBondContact O-N 2.81Å; N50-A53 PolarHBondContact O-N 2.73Å; N50-E54 WeakPolarHBondContact O-CG 3.28Å; N50-E54 PolarHBondContact O-N 2.85Å; N50-D297 PolarHBondContact ND2-OD2 2.73Å
51T97.2Very high95.1Very high1 Ų128.2 Ų28.21%0.00614%0.14CC..Hα-helixtrans-58.7-44.6174.5-600000110.1E48 N49 E54 M55 D297 A298 D305 F306E48-T51 WeakPolarHBondContact O-CB 2.91Å; E48-T51 PolarHBondContact O-N 2.77Å; N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.32Å; T51-E54 PolarHBondContact O-N 3Å; T51-M55 VanDerWaalsContact O-CG 3.23Å; T51-M55 WeakPolarHBondContact O-CG 3.47Å; T51-M55 PolarHBondContact O-N 2.93Å; T51-M55 VanDerWaalsContact O-N 3.13Å; T51-D297 WeakPolarHBondContact OG1-CB 3.41Å; T51-A298 HydrophobicContact CG2-CB 3.9Å; T51-D305 PolarHBondContact OG1-N 3.07Å; T51-F306 HydrophobicContact CG2-CE1 4.45Å; T51-F306 HydrophobicContact CG2-CE2 4.48Å; T51-F306 HydrophobicContact CG2-CZ 4.1Å
52K95.4Very high94.5Very high37 Ų3730.6 Ų30.616%0.16116%0.156CC..Hα-helixtrans-64.7-43.3175.3-172.9176.3-172.5166.70112.8L44 S47 E48 N49 N50 E54 M55 I56L44-K52 HydrophobicContact CD1-CG 3.86Å; S47-K52 WeakPolarHBondContact OG-CA 3.31Å; E48-K52 PolarHBondContact O-N 2.67Å; E48-K52 VanDerWaalsContact O-N 3.1Å; E48-K52 WeakPolarHBondContact OE1-CD 3.35Å; E48-K52 IonicContact OE1-NZ 3.24Å; E48-K52 IonicContact OE2-NZ 3.95Å; N49-K52 WeakPolarHBondContact O-CB 3.27Å; N49-K52 PolarHBondContact O-N 3.34Å; N50-K52 VanDerWaalsContact C-N 3.29Å; N50-K52 PolarHBondContact O-N 2.81Å; K52-E54 VanDerWaalsContact C-N 3.34Å; K52-E54 PolarHBondContact O-N 2.88Å; K52-M55 WeakPolarHBondContact O-CB 3.19Å; K52-M55 PolarHBondContact O-N 3.22Å; K52-I56 HydrophobicContact CG-CD1 3.94Å; K52-I56 WeakPolarHBondContact O-CG1 3.38Å; K52-I56 PolarHBondContact O-N 3.37Å
53A94.9Very high93.3Very high34 Ų3436.7 Ų36.728%0.28119%0.189SC..Hα-helixtrans-61.6-39.9177.900000112.7N49 N50 R57N49-A53 PolarHBondContact O-N 2.89Å; N50-A53 PolarHBondContact O-N 2.73Å; A53-R57 WeakPolarHBondContact O-CB 3.32Å; A53-R57 PolarHBondContact O-N 2.91Å; A53-R57 VanDerWaalsContact O-N 3.13Å
54E97.1Very high91.6Very high19 Ų1942.6 Ų42.69%0.08923%0.229CC..Hα-helixtrans-63.4-43.6173.7-72.7-173.7161.800112.1N50 T51 K52 R57 A58 G294 N296 D297N50-E54 WeakPolarHBondContact O-CG 3.28Å; N50-E54 PolarHBondContact O-N 2.85Å; T51-E54 PolarHBondContact O-N 3Å; K52-E54 VanDerWaalsContact C-N 3.34Å; K52-E54 PolarHBondContact O-N 2.88Å; E54-R57 PolarHBondContact O-N 3.28Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.27Å; E54-A58 PolarHBondContact O-N 3.2Å; E54-G294 VanDerWaalsContact CD-O 3.27Å; E54-G294 WeakPolarHBondContact CG-O 3.45Å; E54-N296 PolarHBondContact OE2-N 3.42Å; E54-D297 PolarHBondContact OE2-N 3.25Å
55M95.7Very high90Very high1 Ų143.9 Ų43.91%0.00524%0.236CC..Hα-helixtrans-60.6-48.7177.1-69.2-63.8-59.800111.7L40 V43 L44 T51 K52 R57 A58 M59 I295L40-M55 HydrophobicContact CB-CE 3.82Å; L40-M55 HydrophobicContact CD2-CE 4Å; L40-M55 HydrophobicContact CG-CE 4.44Å; L40-M55 WeakPolarHBondContact O-CE 3.5Å; V43-M55 HydrophobicContact CB-CE 3.68Å; V43-M55 HydrophobicContact CB-SD 4.43Å; V43-M55 HydrophobicContact CG1-CE 3.75Å; V43-M55 HydrophobicContact CG1-CG 4.49Å; V43-M55 HydrophobicContact CG1-SD 3.82Å; L44-M55 HydrophobicContact CB-CB 4.38Å; L44-M55 HydrophobicContact CB-CE 4.35Å; L44-M55 HydrophobicContact CD1-CB 3.77Å; T51-M55 VanDerWaalsContact O-CG 3.23Å; T51-M55 WeakPolarHBondContact O-CG 3.47Å; T51-M55 PolarHBondContact O-N 2.93Å; T51-M55 VanDerWaalsContact O-N 3.13Å; K52-M55 WeakPolarHBondContact O-CB 3.19Å; K52-M55 PolarHBondContact O-N 3.22Å; M55-R57 PolarHBondContact O-N 3.3Å; M55-A58 PolarHBondContact O-N 2.94Å; M55-M59 HydrophobicContact CE-SD 4.05Å; M55-M59 VanDerWaalsContact O-CB 3.26Å; M55-M59 WeakPolarHBondContact O-CB 3.26Å; M55-M59 VanDerWaalsContact O-CG 3.24Å; M55-M59 WeakPolarHBondContact O-CG 3.38Å; M55-M59 PolarHBondContact O-N 3.41Å; M55-I295 HydrophobicContact CE-CD1 4.41Å; M55-I295 HydrophobicContact SD-CB 4.49Å; M55-I295 HydrophobicContact SD-CD1 3.72Å; M55-I295 HydrophobicContact SD-CG1 4.03Å; M55-I295 HydrophobicContact SD-CG2 3.62Å
56I94.1Very high88.7Confident10 Ų1050.5 Ų50.55%0.05127%0.266CS..Hα-helixtrans-56.3-50.5178.3-70.1163.6000110.6L44 K52 A58 M59 Q60 L61 H67L44-I56 HydrophobicContact CD1-CG1 3.9Å; K52-I56 HydrophobicContact CG-CD1 3.94Å; K52-I56 WeakPolarHBondContact O-CG1 3.38Å; K52-I56 PolarHBondContact O-N 3.37Å; I56-A58 PolarHBondContact O-N 2.92Å; I56-M59 PolarHBondContact O-N 3.31Å; I56-Q60 PolarHBondContact O-N 3.1Å; I56-L61 HydrophobicContact CG2-CB 3.88Å; I56-L61 PolarHBondContact O-N 2.79Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.21Å
57R94.2Very high87.5Confident147 Ų14753.2 Ų53.256%0.55528%0.278SS*.Hα-helixtrans-63.2-44.3-179.5-173.1-178.2-60.2110.34.8112.4A53 E54 M55 Q60A53-R57 WeakPolarHBondContact O-CB 3.32Å; A53-R57 PolarHBondContact O-N 2.91Å; A53-R57 VanDerWaalsContact O-N 3.13Å; E54-R57 PolarHBondContact O-N 3.28Å; M55-R57 PolarHBondContact O-N 3.3Å; R57-Q60 PolarHBondContact O-N 3.09Å; R57-Q60 PolarHBondContact O-NE2 2.8Å
58A95.8Very high86.7Confident1 Ų159.2 Ų59.21%0.00831%0.31CS..Hα-helixtrans-67.1-42-179.200000111.6E54 M55 I56 Q60 L293 I295E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.27Å; E54-A58 PolarHBondContact O-N 3.2Å; M55-A58 PolarHBondContact O-N 2.94Å; I56-A58 PolarHBondContact O-N 2.92Å; A58-Q60 PolarHBondContact O-N 2.64Å; A58-Q60 VanDerWaalsContact O-N 3.14Å; A58-Q60 PolarHBondContact O-NE2 2.98Å; A58-L293 HydrophobicContact CB-CB 4.2Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.34Å
59M95Very high86.3Confident0 Ų061 Ų610%032%0.318CS..THydrogen-bonded Turntrans-72.53.6175.5-67.3179.770.400113.7S6 Y37 L40 L44 M55 I56 L61 I74S6-M59 WeakPolarHBondContact CB-O 3.19Å; Y37-M59 HydrophobicContact CD1-CE 4.12Å; Y37-M59 HydrophobicContact CD2-CE 4.04Å; Y37-M59 HydrophobicContact CE1-CE 3.78Å; Y37-M59 HydrophobicContact CE2-CB 3.79Å; Y37-M59 HydrophobicContact CE2-CE 3.7Å; Y37-M59 HydrophobicContact CE2-CG 4.22Å; Y37-M59 WeakPolarHBondContact CE2-O 3.45Å; Y37-M59 HydrophobicContact CG-CE 4.23Å; Y37-M59 PolarHBondContact OH-O 3.19Å; L40-M59 HydrophobicContact CB-CE 4.09Å; L40-M59 HydrophobicContact CB-CG 4.08Å; L40-M59 HydrophobicContact CB-SD 3.72Å; L40-M59 HydrophobicContact CD1-CG 4.16Å; L44-M59 HydrophobicContact CB-SD 4.24Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; M55-M59 HydrophobicContact CE-SD 4.05Å; M55-M59 VanDerWaalsContact O-CB 3.26Å; M55-M59 WeakPolarHBondContact O-CB 3.26Å; M55-M59 VanDerWaalsContact O-CG 3.24Å; M55-M59 WeakPolarHBondContact O-CG 3.38Å; M55-M59 PolarHBondContact O-N 3.41Å; I56-M59 PolarHBondContact O-N 3.31Å; M59-L61 HydrophobicContact CB-CD1 3.94Å; M59-L61 HydrophobicContact CB-CG 4.01Å; M59-L61 HydrophobicContact CE-CD1 4.28Å; M59-L61 PolarHBondContact O-N 3.1Å; M59-L61 HydrophobicContact SD-CD1 4.29Å; M59-I74 HydrophobicContact CE-CD1 4.44Å
60Q93.4Very high86Confident52 Ų5255.7 Ų55.724%0.24329%0.29CS..THydrogen-bonded Turntrans56.130.6-179.4-49.6-55.2-65.100112.9S6 N9 F10 I56 R57 A58S6-Q60 WeakPolarHBondContact CB-O 3.3Å; N9-Q60 HydrophobicContact CB-CB 3.88Å; N9-Q60 HydrophobicContact CB-CG 3.86Å; F10-Q60 HydrophobicContact CB-CG 4.26Å; I56-Q60 PolarHBondContact O-N 3.1Å; R57-Q60 PolarHBondContact O-N 3.09Å; R57-Q60 PolarHBondContact O-NE2 2.8Å; A58-Q60 PolarHBondContact O-N 2.64Å; A58-Q60 VanDerWaalsContact O-N 3.14Å; A58-Q60 PolarHBondContact O-NE2 2.98Å
61L91.5Very high85.8Confident13 Ų1352.2 Ų52.27%0.06827%0.272CS..  trans-80.2145.2176.3-71.9167.4000109.8Y37 L44 I56 M59 V70Y37-L61 VanDerWaalsContact OH-CD2 3.27Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.07Å; L44-L61 HydrophobicContact CD2-CD1 3.62Å; I56-L61 HydrophobicContact CG2-CB 3.88Å; I56-L61 PolarHBondContact O-N 2.79Å; M59-L61 HydrophobicContact CB-CD1 3.94Å; M59-L61 HydrophobicContact CB-CG 4.01Å; M59-L61 HydrophobicContact CE-CD1 4.28Å; M59-L61 PolarHBondContact O-N 3.1Å; M59-L61 HydrophobicContact SD-CD1 4.29Å; L61-V70 HydrophobicContact CD1-CG1 3.94Å; L61-V70 HydrophobicContact CD1-CG2 4.4Å; L61-V70 HydrophobicContact CD2-CG1 3.77Å; L61-V70 HydrophobicContact CD2-CG2 3.95Å
62S82.4Confident85.5Confident49 Ų4955.1 Ų55.134%0.34329%0.291SS..  trans-74.2132.2175-76.70000111.1E2 C64 L65E2-S62 WeakPolarHBondContact OE1-CB 3.4Å; E2-S62 PolarHBondContact OE1-OG 2.88Å; S62-C64 PolarHBondContact O-N 3.33Å; S62-C64 VanDerWaalsContact O-N 3.14Å; S62-L65 PolarHBondContact O-N 3.23Å
63D70.3Confident85.3Confident131 Ų13154.2 Ų54.270%0.70129%0.287SS*.THydrogen-bonded Turntrans-62.7-20.7179.2-65.6-31.5000113.3L65D63-L65 VanDerWaalsContact C-N 3.3Å; D63-L65 PolarHBondContact O-N 3.45Å
64C60.2Low85.2Confident133 Ų13352.7 Ų52.790%0.89928%0.275SS*.THydrogen-bonded Turntrans-82.6-2.6-179.2-560000114S62S62-C64 PolarHBondContact O-N 3.33Å; S62-C64 VanDerWaalsContact O-N 3.14Å
65L63.3Low85Confident31 Ų3152.1 Ų52.116%0.16227%0.273CS..SBendtrans-87.1141.8-172.1-144.3120.5000112.2E2 S62 D63 H67 Q69 V70E2-L65 HydrophobicContact CB-CD1 3.45Å; E2-L65 VanDerWaalsContact CB-CD1 3.45Å; E2-L65 HydrophobicContact CG-CD1 3.58Å; S62-L65 PolarHBondContact O-N 3.23Å; D63-L65 VanDerWaalsContact C-N 3.3Å; D63-L65 PolarHBondContact O-N 3.45Å; L65-H67 PolarHBondContact O-N 3.44Å; L65-H67 VanDerWaalsContact O-N 3.13Å; L65-Q69 HydrophobicContact CD2-CB 4.01Å; L65-Q69 HydrophobicContact CD2-CG 4.34Å; L65-V70 HydrophobicContact CD2-CB 4.45Å; L65-V70 HydrophobicContact CD2-CG2 3.36Å
66E65.5Low84.9Confident150 Ų15057.2 Ų57.270%0.70130%0.297SS*.  trans-66.6112.2168.1-68.7-173.1176.800109D68 Q69 V70E66-D68 PolarHBondContact O-N 2.85Å; E66-D68 VanDerWaalsContact O-N 3.09Å; E66-Q69 HydrophobicContact CB-CB 4.37Å; E66-Q69 WeakPolarHBondContact O-CA 3.34Å; E66-Q69 WeakPolarHBondContact O-CB 3.41Å; E66-Q69 PolarHBondContact O-N 2.94Å; E66-V70 PolarHBondContact O-N 2.94Å
67H71Confident84.8Confident58 Ų5857.4 Ų57.427%0.26930%0.298SS..Hα-helixtrans-55.9-32.3-172.9-57.2119.6000113.5I56 L65 Q69 V70 H71I56-H67 WeakPolarHBondContact CD1-NE2 3.21Å; L65-H67 PolarHBondContact O-N 3.44Å; L65-H67 VanDerWaalsContact O-N 3.13Å; H67-Q69 VanDerWaalsContact C-N 3.25Å; H67-Q69 PolarHBondContact O-N 2.91Å; H67-V70 WeakPolarHBondContact O-CB 3.42Å; H67-V70 PolarHBondContact O-N 3.12Å; H67-V70 VanDerWaalsContact O-N 3.12Å; H67-H71 PolarHBondContact O-CD2 3.5Å; H67-H71 PolarHBondContact O-N 2.81Å
68D77.3Confident84.7Confident125 Ų12550.6 Ų50.667%0.66827%0.272SS*.Hα-helixtrans-62.1-33.4174.5-69.4-16.1000112.5E66 H71 C72E66-D68 PolarHBondContact O-N 2.85Å; E66-D68 VanDerWaalsContact O-N 3.09Å; D68-H71 PolarHBondContact O-N 3.05Å; D68-C72 PolarHBondContact O-N 2.57Å
69Q86.1Confident84.4Confident93 Ų9353.6 Ų53.644%0.43529%0.288SS..Hα-helixtrans-67-36.5175.3-172.3174.92.700111.6L65 E66 H67 H71 C72 E73L65-Q69 HydrophobicContact CD2-CB 4.01Å; L65-Q69 HydrophobicContact CD2-CG 4.34Å; E66-Q69 HydrophobicContact CB-CB 4.37Å; E66-Q69 WeakPolarHBondContact O-CA 3.34Å; E66-Q69 WeakPolarHBondContact O-CB 3.41Å; E66-Q69 PolarHBondContact O-N 2.94Å; H67-Q69 VanDerWaalsContact C-N 3.25Å; H67-Q69 PolarHBondContact O-N 2.91Å; Q69-H71 VanDerWaalsContact C-N 3.31Å; Q69-H71 PolarHBondContact O-N 2.88Å; Q69-C72 PolarHBondContact O-N 2.89Å; Q69-E73 HydrophobicContact CG-CG 4.34Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.94Å
70V89Confident84.3Confident2 Ų257 Ų571%0.01231%0.306CS..Hα-helixtrans-57.6-46.8175.9179.60000110.6L61 L65 E66 H67 C72 E73 I74L61-V70 HydrophobicContact CD1-CG1 3.94Å; L61-V70 HydrophobicContact CD1-CG2 4.4Å; L61-V70 HydrophobicContact CD2-CG1 3.77Å; L61-V70 HydrophobicContact CD2-CG2 3.95Å; L65-V70 HydrophobicContact CD2-CB 4.45Å; L65-V70 HydrophobicContact CD2-CG2 3.36Å; E66-V70 PolarHBondContact O-N 2.94Å; H67-V70 WeakPolarHBondContact O-CB 3.42Å; H67-V70 PolarHBondContact O-N 3.12Å; H67-V70 VanDerWaalsContact O-N 3.12Å; V70-C72 VanDerWaalsContact C-N 3.33Å; V70-C72 PolarHBondContact O-N 2.81Å; V70-E73 PolarHBondContact O-N 2.85Å; V70-I74 HydrophobicContact CG1-CD1 3.73Å; V70-I74 HydrophobicContact CG1-CG1 4.34Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.19Å
71H92.2Very high84.2Confident10 Ų1054.5 Ų54.55%0.04630%0.295CS..Hα-helixtrans-61.2-43.2-179.4-62.7-57.6000111.4S45 H67 D68 Q69 I74 A75 N115 Y116S45-H71 VanDerWaalsContact CA-CE1 3.48Å; S45-H71 WeakPolarHBondContact CA-CE1 3.3Å; H67-H71 PolarHBondContact O-CD2 3.5Å; H67-H71 PolarHBondContact O-N 2.81Å; D68-H71 PolarHBondContact O-N 3.05Å; Q69-H71 VanDerWaalsContact C-N 3.31Å; Q69-H71 PolarHBondContact O-N 2.88Å; H71-I74 PolarHBondContact O-N 3.22Å; H71-A75 WeakPolarHBondContact O-CB 3.46Å; H71-A75 PolarHBondContact O-N 2.87Å; H71-N115 HydrophobicContact CB-CB 4.3Å; H71-Y116 AromaticContact ND1-CE2 3.61Å; H71-Y116 AromaticContact ND1-CZ 3.56Å; H71-Y116 PolarHBondContact ND1-OH 3.48Å
72C91.1Very high84Confident61 Ų6155.9 Ų55.941%0.41231%0.306SS..Hα-helixtrans-64-42.7175.4-70.50000112.9D68 Q69 V70 A75 Q76D68-C72 PolarHBondContact O-N 2.57Å; Q69-C72 PolarHBondContact O-N 2.89Å; V70-C72 VanDerWaalsContact C-N 3.33Å; V70-C72 PolarHBondContact O-N 2.81Å; C72-A75 WeakPolarHBondContact O-CB 3.49Å; C72-A75 PolarHBondContact O-N 3.22Å; C72-Q76 WeakPolarHBondContact O-CG 3.29Å; C72-Q76 PolarHBondContact O-N 2.94Å
73E91.5Very high84.3Confident19 Ų1959.3 Ų59.39%0.08931%0.314CS..Hα-helixtrans-64.9-41177.9-71.2-163.9178.100111.6M1 E2 A3 Q69 V70 Q76 L77M1-E73 WeakPolarHBondContact CB-OE2 3.49Å; M1-E73 HydrophobicContact CE-CB 3.55Å; M1-E73 HydrophobicContact CE-CG 3.72Å; E2-E73 PolarHBondContact N-OE2 2.94Å; A3-E73 HydrophobicContact CB-CB 3.56Å; A3-E73 HydrophobicContact CB-CG 4.5Å; A3-E73 VanDerWaalsContact CB-OE2 3.25Å; A3-E73 WeakPolarHBondContact CB-OE2 3.48Å; A3-E73 PolarHBondContact N-OE2 3.16Å; Q69-E73 HydrophobicContact CG-CG 4.34Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.94Å; V70-E73 PolarHBondContact O-N 2.85Å; E73-Q76 PolarHBondContact O-N 3.47Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 2.65Å; E73-L77 VanDerWaalsContact O-N 3.08Å
74I92.5Very high85Confident2 Ų259.6 Ų59.61%0.0132%0.323CS..Hα-helixtrans-64.2-42.2174.6-66168.8000110.7A3 Y37 T38 M59 V70 H71 Q76 L77 L78 Y116A3-I74 HydrophobicContact CB-CG1 4.34Å; Y37-I74 HydrophobicContact CD1-CD1 4.31Å; Y37-I74 HydrophobicContact CD1-CG1 4.49Å; Y37-I74 HydrophobicContact CE1-CD1 3.8Å; Y37-I74 HydrophobicContact CE1-CG1 4.02Å; T38-I74 HydrophobicContact CG2-CG2 3.75Å; M59-I74 HydrophobicContact CE-CD1 4.44Å; V70-I74 HydrophobicContact CG1-CD1 3.73Å; V70-I74 HydrophobicContact CG1-CG1 4.34Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.19Å; H71-I74 PolarHBondContact O-N 3.22Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 3.49Å; I74-L77 PolarHBondContact O-N 2.73Å; I74-L78 HydrophobicContact CG2-CD1 3.87Å; I74-L78 HydrophobicContact CG2-CG 4.25Å; I74-L78 WeakPolarHBondContact O-CB 3.16Å; I74-L78 WeakPolarHBondContact O-CG 2.88Å; I74-L78 PolarHBondContact O-N 3.1Å; I74-Y116 HydrophobicContact CB-CE1 4.27Å; I74-Y116 HydrophobicContact CD1-CE1 4.27Å; I74-Y116 HydrophobicContact CG2-CD1 4.15Å; I74-Y116 HydrophobicContact CG2-CE1 3.61Å
75A93.2Very high86.1Confident7 Ų755 Ų556%0.05829%0.292CS..Hα-helixtrans-58.9-42.7176.900000112H71 C72 L78 N79 N115H71-A75 WeakPolarHBondContact O-CB 3.46Å; H71-A75 PolarHBondContact O-N 2.87Å; C72-A75 WeakPolarHBondContact O-CB 3.49Å; C72-A75 PolarHBondContact O-N 3.22Å; A75-L78 PolarHBondContact O-N 2.89Å; A75-N79 VanDerWaalsContact O-CB 3.29Å; A75-N79 WeakPolarHBondContact O-CB 3.27Å; A75-N79 PolarHBondContact O-N 3.11Å; A75-N79 PolarHBondContact O-ND2 3.37Å; A75-N79 VanDerWaalsContact O-ND2 3.09Å; A75-N115 VanDerWaalsContact CA-O 3.22Å; A75-N115 WeakPolarHBondContact CA-O 3.17Å; A75-N115 HydrophobicContact CB-CB 4.09Å; A75-N115 VanDerWaalsContact CB-O 3.26Å; A75-N115 WeakPolarHBondContact CB-O 3.25Å
76Q92.7Very high87.1Confident108 Ų10862.5 Ų62.551%0.50532%0.324SS..Hα-helixtrans-61.5-48.5175.5-72.8173.5-3.600111.4M1 C72 E73 I74 L78 N79 D80M1-Q76 HydrophobicContact CE-CB 4.32Å; C72-Q76 WeakPolarHBondContact O-CG 3.29Å; C72-Q76 PolarHBondContact O-N 2.94Å; E73-Q76 PolarHBondContact O-N 3.47Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 3.49Å; Q76-L78 PolarHBondContact O-N 2.6Å; Q76-N79 PolarHBondContact O-N 3.4Å; Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.35Å; Q76-D80 PolarHBondContact O-N 3.37Å
77L92Very high88.1Confident14 Ų1456.3 Ų56.37%0.07330%0.3CS..Hα-helixtrans-60.1-45.5177.6-69.1171.3000112M1 A3 F34 E73 I74 C81 W370M1-L77 HydrophobicContact CE-CG 4.32Å; A3-L77 HydrophobicContact CB-CD1 4.29Å; F34-L77 HydrophobicContact CE2-CB 4.12Å; F34-L77 HydrophobicContact CZ-CB 4.32Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 2.65Å; E73-L77 VanDerWaalsContact O-N 3.08Å; I74-L77 PolarHBondContact O-N 2.73Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.92Å; L77-W370 HydrophobicContact CD2-CZ3 3.99Å
78L91.9Very high88.9Confident4 Ų453.9 Ų53.92%0.02129%0.29CS..Hα-helixtrans-59.4-50.6176.9-84170.5000111.9F34 T38 I74 A75 Q76 S82 L92 Y116F34-L78 HydrophobicContact CE1-CD2 3.84Å; F34-L78 HydrophobicContact CZ-CD2 4.2Å; F34-L78 HydrophobicContact CZ-CG 4.48Å; T38-L78 HydrophobicContact CG2-CD1 3.87Å; T38-L78 HydrophobicContact CG2-CD2 3.5Å; T38-L78 VanDerWaalsContact CG2-CD2 3.5Å; T38-L78 HydrophobicContact CG2-CG 3.62Å; I74-L78 HydrophobicContact CG2-CD1 3.87Å; I74-L78 HydrophobicContact CG2-CG 4.25Å; I74-L78 WeakPolarHBondContact O-CB 3.16Å; I74-L78 WeakPolarHBondContact O-CG 2.88Å; I74-L78 PolarHBondContact O-N 3.1Å; A75-L78 PolarHBondContact O-N 2.89Å; Q76-L78 PolarHBondContact O-N 2.6Å; L78-S82 VanDerWaalsContact O-CB 3.32Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.85Å; L78-S82 PolarHBondContact O-OG 3.19Å; L78-L92 HydrophobicContact CD2-CB 4.42Å; L78-L92 HydrophobicContact CD2-CD1 4.18Å; L78-Y116 HydrophobicContact CD1-CD1 4.08Å
79N91.4Very high89.4Confident64 Ų6451 Ų5134%0.34227%0.272SS..Hα-helixtrans-67.9-39-177.9-71.9-31.7000111.5A75 Q76 S82 K83 N117A75-N79 VanDerWaalsContact O-CB 3.29Å; A75-N79 WeakPolarHBondContact O-CB 3.27Å; A75-N79 PolarHBondContact O-N 3.11Å; A75-N79 PolarHBondContact O-ND2 3.37Å; A75-N79 VanDerWaalsContact O-ND2 3.09Å; Q76-N79 PolarHBondContact O-N 3.4Å; N79-S82 PolarHBondContact O-OG 3.24Å; N79-K83 WeakPolarHBondContact O-CG 2.94Å; N79-K83 PolarHBondContact O-N 3.42Å; N79-N117 PolarHBondContact OD1-ND2 2.98Å
80D91.6Very high89.5Confident70 Ų7047.4 Ų47.437%0.37426%0.256SS..Hα-helixtrans-70.8-37.7179.3-78.5-14.3000112.9Q76 K83 W370Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.35Å; Q76-D80 PolarHBondContact O-N 3.37Å; D80-K83 WeakPolarHBondContact OD1-CE 3.46Å; D80-K83 IonicContact OD1-NZ 2.61Å; D80-K83 PolarHBondContact OD1-NZ 3.27Å; D80-W370 HydrophobicContact CB-CH2 3.59Å; D80-W370 HydrophobicContact CB-CZ2 3.73Å
81C90.8Very high89.4Confident1 Ų148.7 Ų48.71%0.00726%0.262CS..Hα-helixtrans-70.2-40.1177.1-168.50000111.5F34 L77 K83 I90 L92 W370F34-C81 HydrophobicContact CZ-CB 4.18Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.92Å; C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 2.78Å; C81-I90 VanDerWaalsContact O-CG2 3.25Å; C81-I90 WeakPolarHBondContact O-CG2 2.97Å; C81-L92 HydrophobicContact CB-CD1 4.4Å; C81-W370 HydrophobicContact CB-CD2 4.36Å; C81-W370 HydrophobicContact CB-CE3 4.42Å; C81-W370 HydrophobicContact CB-CH2 4.3Å; C81-W370 HydrophobicContact CB-CZ2 4.23Å; C81-W370 HydrophobicContact CB-CZ3 4.38Å
82S87.8Confident89.3Confident42 Ų4249.5 Ų49.529%0.29427%0.267SS..SBendtrans-82.8-0.1-178.462.40000115.4L78 N79L78-S82 VanDerWaalsContact O-CB 3.32Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.85Å; L78-S82 PolarHBondContact O-OG 3.19Å; N79-S82 PolarHBondContact O-OG 3.24Å
83K89.1Confident89.3Confident121 Ų12146.9 Ų46.953%0.52625%0.25SC..SBendtrans-55126.9176.1-91.7166.2-171.7171.70110.9N79 D80 C81 S85N79-K83 WeakPolarHBondContact O-CG 2.94Å; N79-K83 PolarHBondContact O-N 3.42Å; D80-K83 WeakPolarHBondContact OD1-CE 3.46Å; D80-K83 IonicContact OD1-NZ 2.61Å; D80-K83 PolarHBondContact OD1-NZ 3.27Å; C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 2.78Å; K83-S85 PolarHBondContact O-N 3.06Å
84P84.3Confident89.4Confident136 Ų13646.1 Ų46.188%0.88325%0.246SC*.  trans-53.4132.6176.5-27.434.6000111.5
85S84.4Confident89.5Confident36 Ų3647.3 Ų47.325%0.25225%0.251SS..BIsolated β-bridgetrans-140.8152-178.577.60000111.7K83 G87 V88 N227K83-S85 PolarHBondContact O-N 3.06Å; S85-G87 PolarHBondContact O-N 3.39Å; S85-V88 VanDerWaalsContact O-O 3.08Å; S85-V88 PolarHBondContact OG-O 3.46Å; S85-N227 WeakPolarHBondContact CB-ND2 3.32Å; S85-N227 PolarHBondContact OG-ND2 2.95Å
86K83.4Confident89.7Confident190 Ų19047.3 Ų47.383%0.82625%0.25SC*.THydrogen-bonded Turntrans-69.9119.5-179.7-172.1178.7-179.5-1790109.7V88K86-V88 VanDerWaalsContact C-N 3.29Å; K86-V88 PolarHBondContact O-N 2.86Å
87G86.3Confident90Very high20 Ų2042.2 Ų42.221%0.20623%0.226CC..THydrogen-bonded Turntrans81.4-2.2174.100000115.3S85 G173 M174S85-G87 PolarHBondContact O-N 3.39Å; G87-G173 CarbonylContact O-C 3.58Å; G87-G173 WeakPolarHBondContact O-CA 3.45Å; G87-M174 PolarHBondContact O-N 2.92Å
88V88.7Confident90.2Very high7 Ų741.5 Ų41.54%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-129125.8167.81760000109.5S85 K86 F171 K172 F225 N227 F230S85-V88 VanDerWaalsContact O-O 3.08Å; S85-V88 PolarHBondContact OG-O 3.46Å; K86-V88 VanDerWaalsContact C-N 3.29Å; K86-V88 PolarHBondContact O-N 2.86Å; V88-F171 HydrophobicContact CG1-CD2 4.32Å; V88-F171 HydrophobicContact CG1-CE2 3.49Å; V88-F171 VanDerWaalsContact CG1-CE2 3.49Å; V88-F171 HydrophobicContact CG1-CZ 3.75Å; V88-F171 HydrophobicContact CG2-CZ 4.44Å; V88-K172 CarbonylContact C-O 3.47Å; V88-K172 WeakPolarHBondContact CA-O 3.45Å; V88-F225 HydrophobicContact CG2-CB 3.66Å; V88-F225 HydrophobicContact CG2-CG 4.28Å; V88-N227 HydrophobicContact CB-CB 4.12Å; V88-N227 HydrophobicContact CG2-CB 3.79Å; V88-F230 HydrophobicContact CB-CD2 4.13Å; V88-F230 HydrophobicContact CB-CE2 4.44Å; V88-F230 HydrophobicContact CG1-CD2 3.71Å; V88-F230 HydrophobicContact CG1-CE2 3.86Å; V88-F230 HydrophobicContact CG1-CG 4.1Å; V88-F230 HydrophobicContact CG1-CZ 4.37Å; V88-F230 HydrophobicContact CG2-CB 4.44Å; V88-F230 HydrophobicContact CG2-CD2 4.18Å
89E86.9Confident90.4Very high63 Ų6341.6 Ų41.629%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-115.9125.8171.2167.9171.1-142.700108.6I91 K145 K172E89-I91 HydrophobicContact CG-CG1 4.37Å; E89-K145 VanDerWaalsContact OE1-CE 3.25Å; E89-K145 WeakPolarHBondContact OE1-CE 3.33Å; E89-K145 IonicContact OE1-NZ 2.82Å; E89-K145 PolarHBondContact OE1-NZ 3.43Å; E89-K145 IonicContact OE2-NZ 2.6Å; E89-K172 HydrophobicContact CB-CB 4.25Å; E89-K172 PolarHBondContact N-O 3.18Å; E89-K172 PolarHBondContact O-N 3.46Å; E89-K172 VanDerWaalsContact O-O 3.07Å
90I88.6Confident90.5Very high19 Ų1943.1 Ų43.110%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-127.3132.3173.5-173.2176.5000108.7C81 L92 Y170 F171 I376 F377C81-I90 VanDerWaalsContact O-CG2 3.25Å; C81-I90 WeakPolarHBondContact O-CG2 2.97Å; I90-L92 HydrophobicContact CD1-CD1 4.08Å; I90-L92 HydrophobicContact CD1-CG 4.2Å; I90-L92 HydrophobicContact CG1-CD1 4.46Å; I90-L92 HydrophobicContact CG1-CG 4.26Å; I90-Y170 WeakPolarHBondContact CA-O 3.39Å; I90-F171 HydrophobicContact CB-CD2 4.33Å; I90-F171 HydrophobicContact CD1-CD2 4.46Å; I90-F171 HydrophobicContact CG1-CD2 4.4Å; I90-I376 HydrophobicContact CD1-CG2 3.73Å; I90-F377 HydrophobicContact CD1-CE2 4.31Å
91I88Confident90.4Very high28 Ų2843.8 Ų43.814%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-118.9119.2175.5-55.2177000107.1E89 A93 Q143 K145 T169 Y170E89-I91 HydrophobicContact CG-CG1 4.37Å; I91-A93 HydrophobicContact CG2-CB 4.24Å; I91-Q143 WeakPolarHBondContact CD1-O 3.46Å; I91-Q143 WeakPolarHBondContact CG2-O 2.97Å; I91-K145 HydrophobicContact CD1-CD 4.31Å; I91-K145 HydrophobicContact CD1-CG 4.29Å; I91-T169 WeakPolarHBondContact O-CA 3.44Å; I91-T169 WeakPolarHBondContact O-CG2 3.47Å; I91-Y170 HydrophobicContact CD1-CD1 3.89Å; I91-Y170 HydrophobicContact CG1-CD1 4.2Å; I91-Y170 PolarHBondContact N-O 3.46Å; I91-Y170 PolarHBondContact O-N 3.16Å
92L90.3Very high90.5Very high27 Ų2744.1 Ų44.114%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-113.193.9174.9-70.2154.3000106.9F34 N35 L78 C81 I90 T169F34-L92 HydrophobicContact CD1-CD1 4.28Å; F34-L92 HydrophobicContact CD1-CD2 3.64Å; F34-L92 HydrophobicContact CE1-CD1 3.59Å; F34-L92 HydrophobicContact CE1-CD2 3.76Å; F34-L92 HydrophobicContact CE1-CG 4.33Å; N35-L92 HydrophobicContact CB-CD2 3.72Å; N35-L92 WeakPolarHBondContact OD1-CD2 3.36Å; L78-L92 HydrophobicContact CD2-CB 4.42Å; L78-L92 HydrophobicContact CD2-CD1 4.18Å; C81-L92 HydrophobicContact CB-CD1 4.4Å; I90-L92 HydrophobicContact CD1-CD1 4.08Å; I90-L92 HydrophobicContact CD1-CG 4.2Å; I90-L92 HydrophobicContact CG1-CD1 4.46Å; I90-L92 HydrophobicContact CG1-CG 4.26Å; L92-T169 HydrophobicContact CD2-CG2 3.53Å; L92-T169 HydrophobicContact CG-CG2 4.22Å
93A89.5Confident90.8Very high7 Ų745.6 Ų45.66%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-106.9112.4-174.700000109.8I91 W139 Q143 T168I91-A93 HydrophobicContact CG2-CB 4.24Å; A93-W139 HydrophobicContact CB-CH2 4.1Å; A93-Q143 HydrophobicContact CB-CB 3.74Å; A93-Q143 HydrophobicContact CB-CG 4.12Å; A93-T168 WeakPolarHBondContact CB-OG1 3.25Å; A93-T168 PolarHBondContact N-O 3.43Å; A93-T168 PolarHBondContact O-N 2.94Å; A93-T168 PolarHBondContact O-OG1 2.85Å; A93-T168 VanDerWaalsContact O-OG1 3.05Å
94N94Very high91.2Very high3 Ų340.4 Ų40.42%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-119.1140.3178.1-62.2-51.1000110.2N35 T38 M42 A118 T166 A167N35-N94 PolarHBondContact ND2-OD1 3.42Å; N35-N94 PolarHBondContact OD1-ND2 3.4Å; N35-N94 PolarHBondContact OD1-OD1 2.84Å; N35-N94 VanDerWaalsContact OD1-OD1 3.06Å; T38-N94 PolarHBondContact OG1-ND2 3.02Å; M42-N94 HydrophobicContact SD-CB 3.6Å; N94-A118 HydrophobicContact CB-CB 3.95Å; N94-A118 WeakPolarHBondContact O-CA 3.15Å; N94-A118 WeakPolarHBondContact O-CB 3.31Å; N94-T166 VanDerWaalsContact CA-O 3.32Å; N94-T166 WeakPolarHBondContact CA-O 3.38Å; N94-A167 WeakPolarHBondContact OD1-CA 3.41Å
95R95.7Very high91.7Very high27 Ų2736.5 Ų36.510%0.10219%0.192CC..EExtended strand (participates in β ladder)trans-156143175.3175169.5-73.9-159-9.3111.2F97 P119 E121 W139 T166R95-F97 HydrophobicContact CB-CE2 4.05Å; R95-F97 VanDerWaalsContact CD-CE2 3.47Å; R95-F97 HydrophobicContact CG-CD2 3.92Å; R95-F97 HydrophobicContact CG-CE1 4.33Å; R95-F97 HydrophobicContact CG-CE2 3.6Å; R95-F97 HydrophobicContact CG-CG 4.43Å; R95-F97 HydrophobicContact CG-CZ 3.85Å; R95-P119 WeakPolarHBondContact CG-O 3.3Å; R95-P119 VanDerWaalsContact NH2-CG 3.27Å; R95-E121 IonicContact CZ-OE2 2.79Å; R95-E121 IonicContact NH1-OE2 2.67Å; R95-E121 PolarHBondContact NH1-OE2 2.7Å; R95-W139 HydrophobicContact CB-CE3 4.13Å; R95-W139 HydrophobicContact CB-CH2 3.27Å; R95-W139 HydrophobicContact CB-CZ2 3.7Å; R95-W139 HydrophobicContact CB-CZ3 3.52Å; R95-W139 HydrophobicContact CG-CH2 4.34Å; R95-W139 HydrophobicContact CG-CZ2 4.43Å; R95-W139 HydrophobicContact CG-CZ3 4.43Å; R95-T166 PolarHBondContact N-O 3.4Å; R95-T166 PolarHBondContact N-OG1 3.24Å; R95-T166 PolarHBondContact O-N 3.47Å; R95-T166 PolarHBondContact O-OG1 2.95Å; R95-T166 VanDerWaalsContact O-OG1 3.05Å
96L97.2Very high92.3Very high7 Ų741.1 Ų41.14%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-100.9114.9171.1178.969.9000109M42 V98 F108 L112 P119 T120 E121 A163 V165 I317M42-L96 HydrophobicContact CE-CB 3.93Å; L96-V98 HydrophobicContact CD1-CG2 4.34Å; L96-V98 HydrophobicContact CD2-CG2 3.73Å; L96-V98 HydrophobicContact CG-CG2 3.61Å; L96-F108 HydrophobicContact CD2-CE1 3.65Å; L96-F108 HydrophobicContact CD2-CZ 4.04Å; L96-L112 HydrophobicContact CB-CD1 4.33Å; L96-L112 HydrophobicContact CD2-CD1 4.22Å; L96-P119 PolarHBondContact N-O 3.36Å; L96-T120 HydrophobicContact CB-CG2 4.39Å; L96-T120 HydrophobicContact CD2-CG2 4.18Å; L96-T120 CarbonylContact O-C 3.55Å; L96-T120 VanDerWaalsContact O-CA 3.31Å; L96-T120 WeakPolarHBondContact O-CA 3.25Å; L96-E121 PolarHBondContact O-N 2.84Å; L96-A163 HydrophobicContact CD1-CB 4.17Å; L96-V165 HydrophobicContact CD1-CG2 3.75Å; L96-I317 HydrophobicContact CD1-CD1 4.3Å
97F97.5Very high92.8Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-95.4129.3169.4-66.5-87.5000109R95 E121 V123 F125 I136 W139 A163 V164 T166R95-F97 HydrophobicContact CB-CE2 4.05Å; R95-F97 VanDerWaalsContact CD-CE2 3.47Å; R95-F97 HydrophobicContact CG-CD2 3.92Å; R95-F97 HydrophobicContact CG-CE1 4.33Å; R95-F97 HydrophobicContact CG-CE2 3.6Å; R95-F97 HydrophobicContact CG-CG 4.43Å; R95-F97 HydrophobicContact CG-CZ 3.85Å; F97-E121 CarbonylContact C-O 3.54Å; F97-E121 VanDerWaalsContact CA-O 3.29Å; F97-E121 WeakPolarHBondContact CA-O 2.95Å; F97-E121 HydrophobicContact CD1-CB 3.87Å; F97-E121 HydrophobicContact CD1-CG 4.29Å; F97-E121 HydrophobicContact CE1-CB 4.01Å; F97-E121 HydrophobicContact CE1-CG 4.27Å; F97-V123 HydrophobicContact CB-CG2 4.13Å; F97-V123 HydrophobicContact CD1-CG1 3.76Å; F97-V123 HydrophobicContact CE1-CG1 4.4Å; F97-F125 HydrophobicContact CB-CZ 4.15Å; F97-I136 HydrophobicContact CB-CD1 4.3Å; F97-I136 HydrophobicContact CB-CG1 4.46Å; F97-I136 HydrophobicContact CD1-CD1 4.44Å; F97-I136 HydrophobicContact CD1-CG1 3.74Å; F97-I136 HydrophobicContact CD2-CD1 4.26Å; F97-I136 HydrophobicContact CD2-CG1 3.85Å; F97-I136 HydrophobicContact CD2-CG2 4.24Å; F97-I136 HydrophobicContact CE1-CG1 3.76Å; F97-I136 HydrophobicContact CE2-CB 4.24Å; F97-I136 HydrophobicContact CE2-CG1 3.88Å; F97-I136 HydrophobicContact CE2-CG2 3.8Å; F97-I136 HydrophobicContact CG-CD1 4.1Å; F97-I136 HydrophobicContact CG-CG1 3.76Å; F97-I136 HydrophobicContact CZ-CB 4.16Å; F97-I136 HydrophobicContact CZ-CG1 3.8Å; F97-I136 HydrophobicContact CZ-CG2 4.15Å; F97-W139 HydrophobicContact CE2-CE3 4.03Å; F97-W139 HydrophobicContact CE2-CZ3 4.47Å; F97-W139 HydrophobicContact CZ-CB 4.23Å; F97-W139 HydrophobicContact CZ-CD2 4.2Å; F97-W139 AromaticContact CZ-CE3 3.94Å; F97-W139 HydrophobicContact CZ-CE3 3.94Å; F97-W139 HydrophobicContact CZ-CG 4.34Å; F97-A163 CarbonylContact O-C 3.56Å; F97-A163 WeakPolarHBondContact O-CA 3.35Å; F97-V164 HydrophobicContact CB-CB 4.5Å; F97-V164 PolarHBondContact N-O 3.05Å; F97-V164 PolarHBondContact O-N 3.44Å; F97-T166 HydrophobicContact CD2-CG2 3.88Å; F97-T166 HydrophobicContact CE2-CG2 3.81Å
98V96.8Very high93.2Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-125.9146.5-174.9-170.10000109.5L96 Q100 V102 I104 E121 H122 V123 M315L96-V98 HydrophobicContact CD1-CG2 4.34Å; L96-V98 HydrophobicContact CD2-CG2 3.73Å; L96-V98 HydrophobicContact CG-CG2 3.61Å; V98-Q100 PolarHBondContact O-N 2.71Å; V98-V102 HydrophobicContact CG1-CB 3.6Å; V98-V102 HydrophobicContact CG1-CG1 3.79Å; V98-V102 HydrophobicContact CG1-CG2 3.89Å; V98-I104 HydrophobicContact CB-CD1 3.97Å; V98-I104 HydrophobicContact CG1-CD1 4.34Å; V98-I104 HydrophobicContact CG2-CD1 3.65Å; V98-I104 HydrophobicContact CG2-CG1 4.49Å; V98-E121 PolarHBondContact N-O 3.01Å; V98-H122 CarbonylContact O-C 3.45Å; V98-H122 VanDerWaalsContact O-CA 3.3Å; V98-H122 WeakPolarHBondContact O-CA 3.22Å; V98-V123 PolarHBondContact O-N 3.02Å; V98-M315 HydrophobicContact CG1-CE 4.27Å
99A95.4Very high93.5Very high5 Ų540.7 Ų40.74%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-53.8136.3172.600000111.3N101 V102 H122 F125 S162A99-N101 VanDerWaalsContact CB-OD1 3.28Å; A99-N101 WeakPolarHBondContact CB-OD1 3.15Å; A99-N101 PolarHBondContact O-N 3Å; A99-V102 HydrophobicContact CB-CG2 4.25Å; A99-V102 PolarHBondContact O-N 2.65Å; A99-H122 PolarHBondContact O-CD2 3.1Å; A99-F125 HydrophobicContact CB-CD2 4.02Å; A99-S162 WeakPolarHBondContact CB-O 3.42Å; A99-S162 PolarHBondContact N-O 2.67Å
100Q93.7Very high93.9Very high97 Ų9739.8 Ų39.845%0.45321%0.207SC..THydrogen-bonded Turntrans-57.4-22.1-173.267.7-172.37.400115.8V98 V123 A124 T127V98-Q100 PolarHBondContact O-N 2.71Å; Q100-V123 PolarHBondContact N-O 3.46Å; Q100-A124 VanDerWaalsContact OE1-CA 3.32Å; Q100-T127 PolarHBondContact NE2-OG1 2.96Å
101N90.2Very high94.1Very high84 Ų8440.4 Ų40.445%0.44921%0.211SC..THydrogen-bonded Turntrans-83.7-11.2179.953.9-3.1000113.7A99 E126A99-N101 VanDerWaalsContact CB-OD1 3.28Å; A99-N101 WeakPolarHBondContact CB-OD1 3.15Å; A99-N101 PolarHBondContact O-N 3Å; N101-E126 PolarHBondContact ND2-OE1 2.9Å
102V93.2Very high94.4Very high7 Ų739.1 Ų39.14%0.04220%0.204CC..  trans-84.2125.6-177.5176.80000111V98 A99 I104 H122 D313 M315V98-V102 HydrophobicContact CG1-CB 3.6Å; V98-V102 HydrophobicContact CG1-CG1 3.79Å; V98-V102 HydrophobicContact CG1-CG2 3.89Å; A99-V102 HydrophobicContact CB-CG2 4.25Å; A99-V102 PolarHBondContact O-N 2.65Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 PolarHBondContact O-N 2.9Å; V102-H122 PolarHBondContact O-NE2 3.18Å; V102-D313 HydrophobicContact CG1-CB 4.22Å; V102-D313 HydrophobicContact CG2-CB 4.42Å; V102-M315 HydrophobicContact CG1-SD 4.12Å
103S94.6Very high94.6Very high74 Ų7445 Ų4552%0.51723%0.228SC..  trans-84.6104.3174.7-64.10000111.4S310 D313S103-S310 WeakPolarHBondContact O-CB 3.42Å; S103-S310 PolarHBondContact O-OG 2.92Å; S103-D313 WeakPolarHBondContact CB-OD2 3.26Å; S103-D313 PolarHBondContact N-OD2 2.91Å
104I96.1Very high94.7Very high12 Ų1249 Ų496%0.06225%0.252CS..  trans-84.7129.3-179-54.7172.8000110.8V98 V102 F108 K109 T120 V309V98-I104 HydrophobicContact CB-CD1 3.97Å; V98-I104 HydrophobicContact CG1-CD1 4.34Å; V98-I104 HydrophobicContact CG2-CD1 3.65Å; V98-I104 HydrophobicContact CG2-CG1 4.49Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 PolarHBondContact O-N 2.9Å; I104-F108 HydrophobicContact CG2-CD1 3.77Å; I104-K109 HydrophobicContact CG2-CD 4.38Å; I104-K109 HydrophobicContact CG2-CG 3.7Å; I104-T120 HydrophobicContact CD1-CG2 4.25Å; I104-V309 CarbonylContact C-O 3.59Å; I104-V309 WeakPolarHBondContact CA-O 3.46Å; I104-V309 HydrophobicContact CG1-CG1 4.42Å; I104-V309 HydrophobicContact CG2-CG1 4.13Å
105Q96.3Very high94.7Very high54 Ų5450.1 Ų50.125%0.25226%0.258SS..  trans-61.9135.8175.1-62.9-172.241.500112.4Q107 F108 K109 S307 V309 N311Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.03Å; Q105-F108 HydrophobicContact CB-CB 4.38Å; Q105-F108 PolarHBondContact O-N 3.44Å; Q105-F108 VanDerWaalsContact O-N 3.16Å; Q105-K109 PolarHBondContact O-N 3.39Å; Q105-K109 VanDerWaalsContact O-N 3.16Å; Q105-S307 PolarHBondContact NE2-O 2.95Å; Q105-V309 WeakPolarHBondContact CG-O 3.23Å; Q105-V309 PolarHBondContact N-O 2.83Å; Q105-N311 PolarHBondContact NE2-ND2 3.22Å; Q105-N311 PolarHBondContact NE2-OD1 3.47Å
106E95.3Very high94.6Very high132 Ų13249 Ų4962%0.61725%0.254SS*.Hα-helixtrans-62.4-34.1178.8-68.6-55.4132.300112.8F108 K109 A110E106-F108 VanDerWaalsContact C-N 3.31Å; E106-F108 PolarHBondContact O-N 2.85Å; E106-K109 PolarHBondContact O-N 2.97Å; E106-K109 IonicContact OE1-NZ 3.41Å; E106-K109 PolarHBondContact OE1-NZ 3.47Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 2.95Å
107Q93.7Very high94.2Very high145 Ų14552.8 Ų52.868%0.67827%0.274SS*.Hα-helixtrans-61.7-40.9176.4-175.358.333.300111.7Q105 A110 N111Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.03Å; Q107-A110 PolarHBondContact O-N 2.92Å; Q107-N111 WeakPolarHBondContact O-CB 3.35Å; Q107-N111 PolarHBondContact O-N 3.15Å
108F95.2Very high94Very high9 Ų952.8 Ų52.84%0.03927%0.274CS..Hα-helixtrans-67.1-43.8176.6178.4-104.3000111.8G46 L96 I104 Q105 E106 A110 N111 L112 T120 N308 V309G46-F108 VanDerWaalsContact CA-CE2 3.42Å; L96-F108 HydrophobicContact CD2-CE1 3.65Å; L96-F108 HydrophobicContact CD2-CZ 4.04Å; I104-F108 HydrophobicContact CG2-CD1 3.77Å; Q105-F108 HydrophobicContact CB-CB 4.38Å; Q105-F108 PolarHBondContact O-N 3.44Å; Q105-F108 VanDerWaalsContact O-N 3.16Å; E106-F108 VanDerWaalsContact C-N 3.31Å; E106-F108 PolarHBondContact O-N 2.85Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.24Å; F108-N111 PolarHBondContact O-N 2.72Å; F108-L112 HydrophobicContact CD1-CD1 4.15Å; F108-L112 HydrophobicContact CD1-CG 4.36Å; F108-L112 HydrophobicContact CD2-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.37Å; F108-L112 HydrophobicContact CE1-CG 3.9Å; F108-L112 HydrophobicContact CE2-CD1 4.21Å; F108-L112 HydrophobicContact CE2-CD2 3.98Å; F108-L112 HydrophobicContact CE2-CG 3.98Å; F108-L112 HydrophobicContact CZ-CD1 3.41Å; F108-L112 VanDerWaalsContact CZ-CD1 3.41Å; F108-L112 HydrophobicContact CZ-CD2 3.92Å; F108-L112 HydrophobicContact CZ-CG 3.7Å; F108-L112 PolarHBondContact O-N 2.78Å; F108-T120 HydrophobicContact CE1-CG2 4.27Å; F108-N308 WeakPolarHBondContact CB-O 3.47Å; F108-V309 HydrophobicContact CD1-CB 4.34Å; F108-V309 HydrophobicContact CD1-CG1 3.85Å; F108-V309 HydrophobicContact CD1-CG2 4.2Å; F108-V309 HydrophobicContact CD2-CG2 4.17Å; F108-V309 HydrophobicContact CE1-CB 4.36Å; F108-V309 HydrophobicContact CE1-CG1 3.79Å; F108-V309 HydrophobicContact CE1-CG2 3.88Å; F108-V309 HydrophobicContact CE2-CG2 3.89Å; F108-V309 HydrophobicContact CG-CG2 4.31Å; F108-V309 HydrophobicContact CZ-CG1 4.46Å; F108-V309 HydrophobicContact CZ-CG2 3.71Å
109K95.9Very high93.7Very high55 Ų5555.3 Ų55.324%0.23929%0.29CS..Hα-helixtrans-58.2-43.8174.3-62.7-178.2-169.7163.20111.6I104 Q105 E106 K113 T120I104-K109 HydrophobicContact CG2-CD 4.38Å; I104-K109 HydrophobicContact CG2-CG 3.7Å; Q105-K109 PolarHBondContact O-N 3.39Å; Q105-K109 VanDerWaalsContact O-N 3.16Å; E106-K109 PolarHBondContact O-N 2.97Å; E106-K109 IonicContact OE1-NZ 3.41Å; E106-K109 PolarHBondContact OE1-NZ 3.47Å; K109-K113 WeakPolarHBondContact O-CB 3.17Å; K109-K113 PolarHBondContact O-N 3.02Å; K109-T120 HydrophobicContact CG-CG2 4.28Å
110A94.5Very high93.6Very high44 Ų4456.4 Ų56.436%0.36430%0.297SS..Hα-helixtrans-63.5-41.9177.700000111.6E106 Q107 F108 K113 T114E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 2.95Å; Q107-A110 PolarHBondContact O-N 2.92Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.24Å; A110-K113 PolarHBondContact O-N 3.02Å; A110-T114 VanDerWaalsContact O-CB 3.27Å; A110-T114 WeakPolarHBondContact O-CB 3.31Å; A110-T114 PolarHBondContact O-N 3.31Å; A110-T114 PolarHBondContact O-OG1 3.26Å
111N92.9Very high93.7Very high32 Ų3253.5 Ų53.517%0.17128%0.283CS..Hα-helixtrans-61.9-50.8176.5-168.40.6000111.5S45 Q107 F108 K113 T114 N115S45-N111 PolarHBondContact OG-ND2 2.71Å; Q107-N111 WeakPolarHBondContact O-CB 3.35Å; Q107-N111 PolarHBondContact O-N 3.15Å; F108-N111 PolarHBondContact O-N 2.72Å; N111-K113 VanDerWaalsContact C-N 3.34Å; N111-K113 PolarHBondContact O-N 3.13Å; N111-T114 PolarHBondContact O-N 3.26Å; N111-N115 WeakPolarHBondContact O-CB 3.35Å; N111-N115 PolarHBondContact O-N 2.88Å; N111-N115 PolarHBondContact OD1-ND2 3.47Å
112L94.8Very high94Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-60.9-41.3178.4-67.1-167.9000113M42 L96 F108 Y116 N117 A118 T120M42-L112 HydrophobicContact CB-CD2 3.61Å; M42-L112 HydrophobicContact CE-CD1 4.1Å; M42-L112 HydrophobicContact CG-CD2 3.87Å; L96-L112 HydrophobicContact CB-CD1 4.33Å; L96-L112 HydrophobicContact CD2-CD1 4.22Å; F108-L112 HydrophobicContact CD1-CD1 4.15Å; F108-L112 HydrophobicContact CD1-CG 4.36Å; F108-L112 HydrophobicContact CD2-CG 4.47Å; F108-L112 HydrophobicContact CE1-CD1 3.37Å; F108-L112 HydrophobicContact CE1-CG 3.9Å; F108-L112 HydrophobicContact CE2-CD1 4.21Å; F108-L112 HydrophobicContact CE2-CD2 3.98Å; F108-L112 HydrophobicContact CE2-CG 3.98Å; F108-L112 HydrophobicContact CZ-CD1 3.41Å; F108-L112 VanDerWaalsContact CZ-CD1 3.41Å; F108-L112 HydrophobicContact CZ-CD2 3.92Å; F108-L112 HydrophobicContact CZ-CG 3.7Å; F108-L112 PolarHBondContact O-N 2.78Å; L112-Y116 HydrophobicContact CD2-CD2 3.94Å; L112-Y116 CarbonylContact O-C 3.57Å; L112-Y116 WeakPolarHBondContact O-CA 3.25Å; L112-Y116 WeakPolarHBondContact O-CB 3.35Å; L112-Y116 PolarHBondContact O-N 3.38Å; L112-N117 PolarHBondContact O-N 3.42Å; L112-A118 CarbonylContact C-O 3.5Å; L112-A118 WeakPolarHBondContact CB-O 3.37Å; L112-A118 PolarHBondContact O-N 3.39Å; L112-A118 VanDerWaalsContact O-N 3.12Å; L112-T120 HydrophobicContact CD1-CG2 3.74Å
113K93.4Very high94.1Very high151 Ų15153.2 Ų53.266%0.65728%0.279SS*.Hα-helixtrans-63.7-43.9176.2-175179.5178.5-177.40111.8K109 A110 N111 N117K109-K113 WeakPolarHBondContact O-CB 3.17Å; K109-K113 PolarHBondContact O-N 3.02Å; A110-K113 PolarHBondContact O-N 3.02Å; N111-K113 VanDerWaalsContact C-N 3.34Å; N111-K113 PolarHBondContact O-N 3.13Å; K113-N117 PolarHBondContact O-N 2.84Å
114T92.2Very high94.2Very high92 Ų9250.6 Ų50.656%0.56426%0.262SS*.Hα-helixtrans-74.2-45.5-174.3-560000112A110 N111A110-T114 VanDerWaalsContact O-CB 3.27Å; A110-T114 WeakPolarHBondContact O-CB 3.31Å; A110-T114 PolarHBondContact O-N 3.31Å; A110-T114 PolarHBondContact O-OG1 3.26Å; N111-T114 PolarHBondContact O-N 3.26Å
115N93Very high94.1Very high25 Ų2550.1 Ų50.113%0.13426%0.259CS..Hα-helixtrans-98.5-21.7-169.1-70.2-29.3000113.9H71 A75 N111H71-N115 HydrophobicContact CB-CB 4.3Å; A75-N115 VanDerWaalsContact CA-O 3.22Å; A75-N115 WeakPolarHBondContact CA-O 3.17Å; A75-N115 HydrophobicContact CB-CB 4.09Å; A75-N115 VanDerWaalsContact CB-O 3.26Å; A75-N115 WeakPolarHBondContact CB-O 3.25Å; N111-N115 WeakPolarHBondContact O-CB 3.35Å; N111-N115 PolarHBondContact O-N 2.88Å; N111-N115 PolarHBondContact OD1-ND2 3.47Å
116Y93.7Very high93.8Very high3 Ų352.6 Ų52.61%0.01227%0.271CS..Hα-helixtrans-122.7-1.9-173.6-64.4-79.7000114.1T38 G41 M42 H71 I74 L78 L112 A118T38-Y116 VanDerWaalsContact O-CD1 3.27Å; T38-Y116 WeakPolarHBondContact O-CD1 3.46Å; T38-Y116 VanDerWaalsContact O-CE1 3.25Å; T38-Y116 WeakPolarHBondContact O-CE1 3.42Å; G41-Y116 VanDerWaalsContact C-OH 3.23Å; G41-Y116 VanDerWaalsContact CA-OH 3.28Å; G41-Y116 WeakPolarHBondContact CA-OH 3.49Å; G41-Y116 PolarHBondContact O-OH 3.47Å; M42-Y116 HydrophobicContact CG-CD1 3.78Å; M42-Y116 HydrophobicContact CG-CD2 4.07Å; M42-Y116 HydrophobicContact CG-CE1 4.42Å; M42-Y116 HydrophobicContact CG-CG 3.58Å; H71-Y116 AromaticContact ND1-CE2 3.61Å; H71-Y116 AromaticContact ND1-CZ 3.56Å; H71-Y116 PolarHBondContact ND1-OH 3.48Å; I74-Y116 HydrophobicContact CB-CE1 4.27Å; I74-Y116 HydrophobicContact CD1-CE1 4.27Å; I74-Y116 HydrophobicContact CG2-CD1 4.15Å; I74-Y116 HydrophobicContact CG2-CE1 3.61Å; L78-Y116 HydrophobicContact CD1-CD1 4.08Å; L112-Y116 HydrophobicContact CD2-CD2 3.94Å; L112-Y116 CarbonylContact O-C 3.57Å; L112-Y116 WeakPolarHBondContact O-CA 3.25Å; L112-Y116 WeakPolarHBondContact O-CB 3.35Å; L112-Y116 PolarHBondContact O-N 3.38Å; Y116-A118 PolarHBondContact O-N 3.45Å; Y116-A118 VanDerWaalsContact O-N 3.11Å
117N90.4Very high93.6Very high88 Ų8851.3 Ų51.347%0.47127%0.272SS..  trans49.331.7-169-64.6-36.1000112N79 L112 K113N79-N117 PolarHBondContact OD1-ND2 2.98Å; L112-N117 PolarHBondContact O-N 3.42Å; K113-N117 PolarHBondContact O-N 2.84Å
118A92.3Very high93.7Very high0 Ų048.4 Ų48.40%026%0.261CS..  trans-118.2103-167.500000110.6M42 N94 L112 Y116M42-A118 HydrophobicContact CE-CB 3.48Å; M42-A118 VanDerWaalsContact CE-CB 3.48Å; M42-A118 HydrophobicContact CG-CB 4.33Å; M42-A118 HydrophobicContact SD-CB 3.54Å; M42-A118 VanDerWaalsContact SD-CB 3.54Å; N94-A118 HydrophobicContact CB-CB 3.95Å; N94-A118 WeakPolarHBondContact O-CA 3.15Å; N94-A118 WeakPolarHBondContact O-CB 3.31Å; L112-A118 CarbonylContact C-O 3.5Å; L112-A118 WeakPolarHBondContact CB-O 3.37Å; L112-A118 PolarHBondContact O-N 3.39Å; L112-A118 VanDerWaalsContact O-N 3.12Å; Y116-A118 PolarHBondContact O-N 3.45Å; Y116-A118 VanDerWaalsContact O-N 3.11Å
119P89.8Confident93.7Very high52 Ų5250.6 Ų50.634%0.33827%0.273SS..  trans-71159.4173.128.7-32.8000111.3R95 L96R95-P119 WeakPolarHBondContact CG-O 3.3Å; R95-P119 VanDerWaalsContact NH2-CG 3.27Å; L96-P119 PolarHBondContact N-O 3.36Å
120T94.3Very high93.7Very high28 Ų2851.9 Ų51.917%0.17228%0.28CS..EExtended strand (participates in β ladder)trans-96.6144.1167.259.90000110L96 I104 F108 K109 L112L96-T120 HydrophobicContact CB-CG2 4.39Å; L96-T120 HydrophobicContact CD2-CG2 4.18Å; L96-T120 CarbonylContact O-C 3.55Å; L96-T120 VanDerWaalsContact O-CA 3.31Å; L96-T120 WeakPolarHBondContact O-CA 3.25Å; I104-T120 HydrophobicContact CD1-CG2 4.25Å; F108-T120 HydrophobicContact CE1-CG2 4.27Å; K109-T120 HydrophobicContact CG-CG2 4.28Å; L112-T120 HydrophobicContact CD1-CG2 3.74Å
121E95.9Very high93.8Very high36 Ų3650.9 Ų50.917%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-135.4132173.9-173.2169.2135.300111.1R95 L96 F97 V98 V123 R135R95-E121 IonicContact CZ-OE2 2.79Å; R95-E121 IonicContact NH1-OE2 2.67Å; R95-E121 PolarHBondContact NH1-OE2 2.7Å; L96-E121 PolarHBondContact O-N 2.84Å; F97-E121 CarbonylContact C-O 3.54Å; F97-E121 VanDerWaalsContact CA-O 3.29Å; F97-E121 WeakPolarHBondContact CA-O 2.95Å; F97-E121 HydrophobicContact CD1-CB 3.87Å; F97-E121 HydrophobicContact CD1-CG 4.29Å; F97-E121 HydrophobicContact CE1-CB 4.01Å; F97-E121 HydrophobicContact CE1-CG 4.27Å; V98-E121 PolarHBondContact N-O 3.01Å; E121-V123 HydrophobicContact CG-CG1 4.43Å; E121-R135 WeakPolarHBondContact OE1-CG 3.33Å; E121-R135 IonicContact OE1-CZ 2.65Å; E121-R135 IonicContact OE1-NE 2.64Å; E121-R135 PolarHBondContact OE1-NE 2.96Å; E121-R135 IonicContact OE1-NH2 3.7Å; E121-R135 PolarHBondContact OE1-NH2 2.94Å; E121-R135 IonicContact OE2-CZ 3.16Å; E121-R135 IonicContact OE2-NE 3.6Å; E121-R135 IonicContact OE2-NH2 2.94Å; E121-R135 PolarHBondContact OE2-NH2 3.32Å
122H96.6Very high94Very high77 Ų7749.6 Ų49.636%0.35627%0.267SS..EExtended strand (participates in β ladder)trans-81.1133.3173.2-72.691000110.8V98 A99 V102V98-H122 CarbonylContact O-C 3.45Å; V98-H122 VanDerWaalsContact O-CA 3.3Å; V98-H122 WeakPolarHBondContact O-CA 3.22Å; A99-H122 PolarHBondContact O-CD2 3.1Å; V102-H122 PolarHBondContact O-NE2 3.18Å
123V96.1Very high94.1Very high9 Ų950.8 Ų50.86%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-137.3154.6178.1-65.10000111.8F97 V98 Q100 E121 F125 R135F97-V123 HydrophobicContact CB-CG2 4.13Å; F97-V123 HydrophobicContact CD1-CG1 3.76Å; F97-V123 HydrophobicContact CE1-CG1 4.4Å; V98-V123 PolarHBondContact O-N 3.02Å; Q100-V123 PolarHBondContact N-O 3.46Å; E121-V123 HydrophobicContact CG-CG1 4.43Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 HydrophobicContact CG2-CD1 3.88Å; V123-F125 HydrophobicContact CG2-CD2 3.87Å; V123-F125 HydrophobicContact CG2-CE1 3.4Å; V123-F125 HydrophobicContact CG2-CE2 3.39Å; V123-F125 HydrophobicContact CG2-CG 4.11Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 3.37Å; V123-F125 VanDerWaalsContact O-N 3.11Å; V123-R135 HydrophobicContact CG1-CG 4.45Å
124A95.2Very high94.2Very high18 Ų1847.5 Ų47.515%0.14926%0.261CS..  trans-88.957.1-168.900000112.8Q100 E126 T127 D128 S132Q100-A124 VanDerWaalsContact OE1-CA 3.32Å; A124-E126 PolarHBondContact O-N 3.27Å; A124-E126 VanDerWaalsContact O-N 3.16Å; A124-T127 PolarHBondContact O-N 3.08Å; A124-D128 HydrophobicContact CB-CB 4.11Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 VanDerWaalsContact O-C 3.26Å; A124-D128 WeakPolarHBondContact O-CA 3.37Å; A124-D128 PolarHBondContact O-N 2.99Å; A124-S132 PolarHBondContact N-OG 2.95Å; A124-S132 VanDerWaalsContact N-OG 3.16Å; A124-S132 PolarHBondContact O-OG 3.01Å
125F93.6Very high94.4Very high2 Ų247 Ų471%0.00925%0.249CC..THydrogen-bonded Turntrans-57-32.6-176-64.2-54.1000114F97 A99 V123 I129 I136 L157 T161 V164F97-F125 HydrophobicContact CB-CZ 4.15Å; A99-F125 HydrophobicContact CB-CD2 4.02Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 HydrophobicContact CG2-CD1 3.88Å; V123-F125 HydrophobicContact CG2-CD2 3.87Å; V123-F125 HydrophobicContact CG2-CE1 3.4Å; V123-F125 HydrophobicContact CG2-CE2 3.39Å; V123-F125 HydrophobicContact CG2-CG 4.11Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 3.37Å; V123-F125 VanDerWaalsContact O-N 3.11Å; F125-I129 WeakPolarHBondContact O-CG1 3.03Å; F125-I136 HydrophobicContact CE1-CD1 4.02Å; F125-I136 HydrophobicContact CZ-CD1 4.36Å; F125-L157 HydrophobicContact CD1-CD1 4.15Å; F125-L157 HydrophobicContact CE1-CD1 3.92Å; F125-L157 HydrophobicContact CE1-CD2 4.29Å; F125-T161 WeakPolarHBondContact CB-O 3.28Å; F125-T161 HydrophobicContact CD1-CG2 3.83Å; F125-T161 HydrophobicContact CD2-CG2 3.78Å; F125-T161 VanDerWaalsContact CD2-O 3.23Å; F125-T161 WeakPolarHBondContact CD2-O 3.04Å; F125-T161 HydrophobicContact CE1-CG2 3.83Å; F125-T161 HydrophobicContact CE2-CG2 3.78Å; F125-T161 HydrophobicContact CG-CG2 3.8Å; F125-T161 HydrophobicContact CZ-CG2 3.8Å; F125-V164 HydrophobicContact CE1-CG2 4.31Å; F125-V164 HydrophobicContact CZ-CB 4.4Å; F125-V164 HydrophobicContact CZ-CG2 3.87Å
126E90Very high94.5Very high107 Ų10745.8 Ų45.850%0.524%0.242SC..THydrogen-bonded Turntrans-79.2-37.2-178.7-68.9173.9-157.100113.2N101 A124 N159N101-E126 PolarHBondContact ND2-OE1 2.9Å; A124-E126 PolarHBondContact O-N 3.27Å; A124-E126 VanDerWaalsContact O-N 3.16Å; E126-N159 WeakPolarHBondContact CG-O 3.39Å
127T92.9Very high94.6Very high104 Ų10446.1 Ų46.164%0.63825%0.245SC*.THydrogen-bonded Turntrans-107.8-22.4-168.855.60000114Q100 A124Q100-T127 PolarHBondContact NE2-OG1 2.96Å; A124-T127 PolarHBondContact O-N 3.08Å
128D95.4Very high94.9Very high85 Ų8546.8 Ų46.846%0.45525%0.245SC..  trans-148.473.2-179.2-174.112.8000111.1A124 E130 G131 S132A124-D128 HydrophobicContact CB-CB 4.11Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 VanDerWaalsContact O-C 3.26Å; A124-D128 WeakPolarHBondContact O-CA 3.37Å; A124-D128 PolarHBondContact O-N 2.99Å; D128-E130 PolarHBondContact O-N 3.31Å; D128-G131 WeakPolarHBondContact OD1-CA 3.05Å; D128-G131 PolarHBondContact OD1-N 2.97Å; D128-G131 WeakPolarHBondContact OD2-CA 3.3Å; D128-S132 WeakPolarHBondContact O-CB 3.34Å; D128-S132 PolarHBondContact O-N 2.96Å; D128-S132 PolarHBondContact O-OG 3.36Å
129I95.2Very high95Very high54 Ų5447.1 Ų47.128%0.27725%0.246SC..Hα-helixtrans-59.2-47.1-178.6-64.5168.5000111.1F125 S132 R133 L157 N159F125-I129 WeakPolarHBondContact O-CG1 3.03Å; I129-S132 PolarHBondContact O-N 2.96Å; I129-R133 WeakPolarHBondContact O-CB 3.29Å; I129-R133 PolarHBondContact O-N 3.47Å; I129-L157 HydrophobicContact CG2-CB 3.82Å; I129-N159 HydrophobicContact CD1-CB 4.38Å
130E95.9Very high95.1Very high83 Ų8344.7 Ų44.739%0.38823%0.23SC..Hα-helixtrans-73-37.3-177.2-76.8-60.8125.300112.1D128 S132 R133 N134D128-E130 PolarHBondContact O-N 3.31Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-R133 PolarHBondContact O-N 3.19Å; E130-R133 IonicContact OE1-NE 3.55Å; E130-R133 PolarHBondContact OE1-NE 3.35Å; E130-R133 IonicContact OE2-CZ 3.85Å; E130-R133 VanDerWaalsContact OE2-CZ 3.22Å; E130-R133 IonicContact OE2-NE 2.64Å; E130-R133 PolarHBondContact OE2-NE 3.16Å; E130-R133 IonicContact OE2-NH2 3.15Å; E130-R133 PolarHBondContact OE2-NH2 3.09Å; E130-N134 WeakPolarHBondContact O-CB 3.24Å; E130-N134 PolarHBondContact O-N 3.47Å; E130-N134 PolarHBondContact O-ND2 3.45Å; E130-N134 VanDerWaalsContact O-ND2 3.17Å
131G96.9Very high95Very high23 Ų2344.9 Ų44.924%0.23723%0.233CC..Hα-helixtrans-61.5-42.117000000112D128 N134 R135D128-G131 WeakPolarHBondContact OD1-CA 3.05Å; D128-G131 PolarHBondContact OD1-N 2.97Å; D128-G131 WeakPolarHBondContact OD2-CA 3.3Å; G131-N134 PolarHBondContact O-N 2.87Å; G131-R135 VanDerWaalsContact O-CB 3.28Å; G131-R135 WeakPolarHBondContact O-CB 3.19Å; G131-R135 PolarHBondContact O-N 3.23Å
132S96.7Very high94.9Very high4 Ų447.8 Ų47.83%0.02825%0.246CC..Hα-helixtrans-62.9-44.4174.4-58.70000111.9A124 D128 I129 E130 R135 I136A124-S132 PolarHBondContact N-OG 2.95Å; A124-S132 VanDerWaalsContact N-OG 3.16Å; A124-S132 PolarHBondContact O-OG 3.01Å; D128-S132 WeakPolarHBondContact O-CB 3.34Å; D128-S132 PolarHBondContact O-N 2.96Å; D128-S132 PolarHBondContact O-OG 3.36Å; I129-S132 PolarHBondContact O-N 2.96Å; E130-S132 VanDerWaalsContact C-N 3.33Å; S132-R135 PolarHBondContact O-N 3.4Å; S132-I136 VanDerWaalsContact O-CG1 3.3Å; S132-I136 WeakPolarHBondContact O-CG1 3.32Å; S132-I136 PolarHBondContact O-N 2.98Å
133R95.8Very high94.6Very high26 Ų2647.9 Ų47.910%0.09825%0.247CC..Hα-helixtrans-57.8-50.7174.6-170.7-175.26567.812.4111.3I129 E130 R135 I136 N137 E150 I152 L157I129-R133 WeakPolarHBondContact O-CB 3.29Å; I129-R133 PolarHBondContact O-N 3.47Å; E130-R133 PolarHBondContact O-N 3.19Å; E130-R133 IonicContact OE1-NE 3.55Å; E130-R133 PolarHBondContact OE1-NE 3.35Å; E130-R133 IonicContact OE2-CZ 3.85Å; E130-R133 VanDerWaalsContact OE2-CZ 3.22Å; E130-R133 IonicContact OE2-NE 2.64Å; E130-R133 PolarHBondContact OE2-NE 3.16Å; E130-R133 IonicContact OE2-NH2 3.15Å; E130-R133 PolarHBondContact OE2-NH2 3.09Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.7Å; R133-I136 PolarHBondContact O-N 3Å; R133-N137 PolarHBondContact NH1-ND2 3.36Å; R133-N137 PolarHBondContact O-N 3.13Å; R133-N137 PolarHBondContact O-ND2 3.06Å; R133-E150 IonicContact NH1-OE2 3.5Å; R133-I152 HydrophobicContact CG-CB 3.98Å; R133-I152 HydrophobicContact CG-CG2 3.8Å; R133-L157 HydrophobicContact CB-CD1 3.93Å; R133-L157 HydrophobicContact CG-CD1 4.5Å
134N96.6Very high94.1Very high82 Ų8247.5 Ų47.544%0.43924%0.244SC..Hα-helixtrans-62.9-40179.7-72.2-28.5000111.3E130 G131 N137 Q138E130-N134 WeakPolarHBondContact O-CB 3.24Å; E130-N134 PolarHBondContact O-N 3.47Å; E130-N134 PolarHBondContact O-ND2 3.45Å; E130-N134 VanDerWaalsContact O-ND2 3.17Å; G131-N134 PolarHBondContact O-N 2.87Å; N134-N137 PolarHBondContact O-N 3.2Å; N134-Q138 WeakPolarHBondContact O-CB 3.17Å; N134-Q138 PolarHBondContact O-N 3.33Å
135R96.9Very high93.7Very high80 Ų8052.8 Ų52.830%0.30226%0.264SS..Hα-helixtrans-63.3-44.2177.8178.957.4-172.7148.28.5112.3E121 V123 G131 S132 R133 Q138 W139E121-R135 WeakPolarHBondContact OE1-CG 3.33Å; E121-R135 IonicContact OE1-CZ 2.65Å; E121-R135 IonicContact OE1-NE 2.64Å; E121-R135 PolarHBondContact OE1-NE 2.96Å; E121-R135 IonicContact OE1-NH2 3.7Å; E121-R135 PolarHBondContact OE1-NH2 2.94Å; E121-R135 IonicContact OE2-CZ 3.16Å; E121-R135 IonicContact OE2-NE 3.6Å; E121-R135 IonicContact OE2-NH2 2.94Å; E121-R135 PolarHBondContact OE2-NH2 3.32Å; V123-R135 HydrophobicContact CG1-CG 4.45Å; G131-R135 VanDerWaalsContact O-CB 3.28Å; G131-R135 WeakPolarHBondContact O-CB 3.19Å; G131-R135 PolarHBondContact O-N 3.23Å; S132-R135 PolarHBondContact O-N 3.4Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.7Å; R135-Q138 PolarHBondContact O-N 2.82Å; R135-W139 PolarHBondContact O-N 2.81Å
136I95.2Very high93.4Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-62.3-49.7176.2-65.6167.3000110.2F97 F125 S132 R133 Q138 W139 V140 I152 L157 T166F97-I136 HydrophobicContact CB-CD1 4.3Å; F97-I136 HydrophobicContact CB-CG1 4.46Å; F97-I136 HydrophobicContact CD1-CD1 4.44Å; F97-I136 HydrophobicContact CD1-CG1 3.74Å; F97-I136 HydrophobicContact CD2-CD1 4.26Å; F97-I136 HydrophobicContact CD2-CG1 3.85Å; F97-I136 HydrophobicContact CD2-CG2 4.24Å; F97-I136 HydrophobicContact CE1-CG1 3.76Å; F97-I136 HydrophobicContact CE2-CB 4.24Å; F97-I136 HydrophobicContact CE2-CG1 3.88Å; F97-I136 HydrophobicContact CE2-CG2 3.8Å; F97-I136 HydrophobicContact CG-CD1 4.1Å; F97-I136 HydrophobicContact CG-CG1 3.76Å; F97-I136 HydrophobicContact CZ-CB 4.16Å; F97-I136 HydrophobicContact CZ-CG1 3.8Å; F97-I136 HydrophobicContact CZ-CG2 4.15Å; F125-I136 HydrophobicContact CE1-CD1 4.02Å; F125-I136 HydrophobicContact CZ-CD1 4.36Å; S132-I136 VanDerWaalsContact O-CG1 3.3Å; S132-I136 WeakPolarHBondContact O-CG1 3.32Å; S132-I136 PolarHBondContact O-N 2.98Å; R133-I136 PolarHBondContact O-N 3Å; I136-Q138 PolarHBondContact O-N 3.48Å; I136-W139 PolarHBondContact O-N 3.38Å; I136-V140 HydrophobicContact CG2-CG2 4.49Å; I136-V140 WeakPolarHBondContact O-CG2 3.3Å; I136-V140 PolarHBondContact O-N 3.01Å; I136-I152 HydrophobicContact CB-CG1 4.14Å; I136-I152 HydrophobicContact CD1-CG1 4.47Å; I136-I152 HydrophobicContact CG2-CD1 4.21Å; I136-I152 HydrophobicContact CG2-CG1 3.56Å; I136-L157 HydrophobicContact CD1-CD1 4.14Å; I136-T166 HydrophobicContact CG2-CG2 3.92Å
137N95.1Very high93.1Very high11 Ų1151.2 Ų51.26%0.05926%0.263CS..Hα-helixtrans-62.5-40.7179.3-77.7-24.7000112.6R133 N134 V140 S141 L151 I152R133-N137 PolarHBondContact NH1-ND2 3.36Å; R133-N137 PolarHBondContact O-N 3.13Å; R133-N137 PolarHBondContact O-ND2 3.06Å; N134-N137 PolarHBondContact O-N 3.2Å; N137-V140 PolarHBondContact O-N 3.06Å; N137-S141 WeakPolarHBondContact O-CB 3.27Å; N137-S141 PolarHBondContact O-N 3.14Å; N137-L151 PolarHBondContact OD1-N 3.29Å; N137-I152 PolarHBondContact ND2-O 2.73Å; N137-I152 PolarHBondContact OD1-N 3.07Å
138Q96.2Very high92.8Very high101 Ų10146.3 Ų46.347%0.47223%0.233SC..Hα-helixtrans-59.4-49.1175.1179.7-175.4-7.100110.6N134 R135 I136 V140 S141 E142N134-Q138 WeakPolarHBondContact O-CB 3.17Å; N134-Q138 PolarHBondContact O-N 3.33Å; R135-Q138 PolarHBondContact O-N 2.82Å; I136-Q138 PolarHBondContact O-N 3.48Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.9Å; Q138-S141 WeakPolarHBondContact O-CB 3.31Å; Q138-S141 PolarHBondContact O-N 3.06Å; Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.48Å; Q138-E142 PolarHBondContact NE2-OE1 3.11Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.46Å
139W95.2Very high92.4Very high8 Ų849.1 Ų49.13%0.0324%0.244CC..Hα-helixtrans-60.9-44.6178.9176.170.2000111.9A93 R95 F97 R135 I136 S141 E142 Q143 T166A93-W139 HydrophobicContact CB-CH2 4.1Å; R95-W139 HydrophobicContact CB-CE3 4.13Å; R95-W139 HydrophobicContact CB-CH2 3.27Å; R95-W139 HydrophobicContact CB-CZ2 3.7Å; R95-W139 HydrophobicContact CB-CZ3 3.52Å; R95-W139 HydrophobicContact CG-CH2 4.34Å; R95-W139 HydrophobicContact CG-CZ2 4.43Å; R95-W139 HydrophobicContact CG-CZ3 4.43Å; F97-W139 HydrophobicContact CE2-CE3 4.03Å; F97-W139 HydrophobicContact CE2-CZ3 4.47Å; F97-W139 HydrophobicContact CZ-CB 4.23Å; F97-W139 HydrophobicContact CZ-CD2 4.2Å; F97-W139 AromaticContact CZ-CE3 3.94Å; F97-W139 HydrophobicContact CZ-CE3 3.94Å; F97-W139 HydrophobicContact CZ-CG 4.34Å; R135-W139 PolarHBondContact O-N 2.81Å; I136-W139 PolarHBondContact O-N 3.38Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3.21Å; W139-E142 WeakPolarHBondContact O-CB 3.33Å; W139-E142 PolarHBondContact O-N 2.95Å; W139-Q143 HydrophobicContact CD2-CG 3.88Å; W139-Q143 HydrophobicContact CE3-CG 4.42Å; W139-Q143 HydrophobicContact CG-CG 4.4Å; W139-Q143 HydrophobicContact CH2-CG 3.97Å; W139-Q143 HydrophobicContact CZ2-CG 3.37Å; W139-Q143 HydrophobicContact CZ3-CG 4.45Å; W139-Q143 VanDerWaalsContact NE1-NE2 3.18Å; W139-Q143 WeakPolarHBondContact O-CG 3.3Å; W139-Q143 PolarHBondContact O-N 3.22Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.32Å
140V91.9Very high92.2Very high0 Ų051 Ų510%025%0.251CS..Hα-helixtrans-59.5-44.2176.7171.20000111I136 N137 Q138 Q143 T144 I148 L151 T168I136-V140 HydrophobicContact CG2-CG2 4.49Å; I136-V140 WeakPolarHBondContact O-CG2 3.3Å; I136-V140 PolarHBondContact O-N 3.01Å; N137-V140 PolarHBondContact O-N 3.06Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.9Å; V140-Q143 PolarHBondContact O-N 3.4Å; V140-T144 HydrophobicContact CG1-CG2 4.37Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 VanDerWaalsContact O-CG2 3.3Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 3.18Å; V140-T144 PolarHBondContact O-OG1 3.43Å; V140-I148 HydrophobicContact CG1-CB 3.73Å; V140-I148 HydrophobicContact CG1-CG2 3.5Å; V140-I148 VanDerWaalsContact CG1-CG2 3.5Å; V140-L151 HydrophobicContact CG1-CB 4.24Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.65Å; V140-T168 HydrophobicContact CG1-CG2 3.75Å; V140-T168 HydrophobicContact CG2-CG2 4.2Å
141S92.5Very high91.9Very high32 Ų3247.1 Ų47.122%0.22423%0.233CC..Hα-helixtrans-60.7-45.6176.4-174.30000111.3N137 Q138 W139 Q143 T144 K145 G146 I148N137-S141 WeakPolarHBondContact O-CB 3.27Å; N137-S141 PolarHBondContact O-N 3.14Å; Q138-S141 WeakPolarHBondContact O-CB 3.31Å; Q138-S141 PolarHBondContact O-N 3.06Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3.21Å; S141-Q143 PolarHBondContact O-N 3.1Å; S141-T144 CarbonylContact O-C 3.59Å; S141-T144 PolarHBondContact O-N 3.19Å; S141-K145 PolarHBondContact O-N 2.92Å; S141-G146 PolarHBondContact O-N 2.97Å; S141-I148 WeakPolarHBondContact CA-O 3.45Å; S141-I148 PolarHBondContact N-O 3.32Å
142E93.8Very high91.7Very high98 Ų9846.1 Ų46.146%0.45822%0.222SC..Hα-helixtrans-59.2-48.1176-72.3166.6-17600111.8Q138 W139 T144 K145Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.48Å; Q138-E142 PolarHBondContact NE2-OE1 3.11Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.46Å; W139-E142 WeakPolarHBondContact O-CB 3.33Å; W139-E142 PolarHBondContact O-N 2.95Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3.44Å; E142-K145 PolarHBondContact O-N 3.37Å
143Q89.3Confident91.4Very high79 Ų7947.7 Ų47.737%0.36923%0.233SC..Hα-helixtrans-66.3-35.4180-64-44.8-67.700112.6I91 A93 W139 V140 S141 K145I91-Q143 WeakPolarHBondContact CD1-O 3.46Å; I91-Q143 WeakPolarHBondContact CG2-O 2.97Å; A93-Q143 HydrophobicContact CB-CB 3.74Å; A93-Q143 HydrophobicContact CB-CG 4.12Å; W139-Q143 HydrophobicContact CD2-CG 3.88Å; W139-Q143 HydrophobicContact CE3-CG 4.42Å; W139-Q143 HydrophobicContact CG-CG 4.4Å; W139-Q143 HydrophobicContact CH2-CG 3.97Å; W139-Q143 HydrophobicContact CZ2-CG 3.37Å; W139-Q143 HydrophobicContact CZ3-CG 4.45Å; W139-Q143 VanDerWaalsContact NE1-NE2 3.18Å; W139-Q143 WeakPolarHBondContact O-CG 3.3Å; W139-Q143 PolarHBondContact O-N 3.22Å; V140-Q143 PolarHBondContact O-N 3.4Å; S141-Q143 PolarHBondContact O-N 3.1Å; Q143-K145 VanDerWaalsContact C-N 3.33Å
144T85.7Confident91.2Very high0 Ų050.3 Ų50.30%025%0.254CS..THydrogen-bonded Turntrans-94.914-176.963.90000113V140 S141 E142 G146 Q147 I148V140-T144 HydrophobicContact CG1-CG2 4.37Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 VanDerWaalsContact O-CG2 3.3Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 3.18Å; V140-T144 PolarHBondContact O-OG1 3.43Å; S141-T144 CarbonylContact O-C 3.59Å; S141-T144 PolarHBondContact O-N 3.19Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3.44Å; T144-G146 PolarHBondContact O-N 3.4Å; T144-Q147 VanDerWaalsContact O-CB 3.28Å; T144-Q147 WeakPolarHBondContact O-CB 3.32Å; T144-Q147 WeakPolarHBondContact O-CG 3.34Å; T144-Q147 PolarHBondContact O-N 2.88Å; T144-I148 HydrophobicContact CG2-CB 4.1Å; T144-I148 HydrophobicContact CG2-CD1 3.93Å; T144-I148 HydrophobicContact CG2-CG1 4.01Å; T144-I148 WeakPolarHBondContact OG1-CB 3.1Å; T144-I148 PolarHBondContact OG1-N 3.49Å; T144-I148 PolarHBondContact OG1-O 3.49Å
145K86.3Confident90.8Very high129 Ų12949.5 Ų49.556%0.56127%0.265SS*.THydrogen-bonded Turntrans53.741.3179.2-55.2-179.1175.4-174.90112.8E89 I91 S141 E142 Q143 Q147E89-K145 VanDerWaalsContact OE1-CE 3.25Å; E89-K145 WeakPolarHBondContact OE1-CE 3.33Å; E89-K145 IonicContact OE1-NZ 2.82Å; E89-K145 PolarHBondContact OE1-NZ 3.43Å; E89-K145 IonicContact OE2-NZ 2.6Å; I91-K145 HydrophobicContact CD1-CD 4.31Å; I91-K145 HydrophobicContact CD1-CG 4.29Å; S141-K145 PolarHBondContact O-N 2.92Å; E142-K145 PolarHBondContact O-N 3.37Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; K145-Q147 PolarHBondContact O-N 2.78Å
146G87.8Confident90.3Very high25 Ų2546.9 Ų46.926%0.25826%0.259SS..THydrogen-bonded Turntrans74.55.5-179.800000115.1S141 T144 Q149S141-G146 PolarHBondContact O-N 2.97Å; T144-G146 PolarHBondContact O-N 3.4Å; G146-Q149 WeakPolarHBondContact O-CG 3.49Å; G146-Q149 PolarHBondContact O-NE2 3.23Å
147Q84Confident90.2Very high51 Ų5147.5 Ų47.524%0.23826%0.262CS..SBendtrans-75.1-36.8179.9-58.8-58.3-58.600111.6T144 K145 Y170 I325T144-Q147 VanDerWaalsContact O-CB 3.28Å; T144-Q147 WeakPolarHBondContact O-CB 3.32Å; T144-Q147 WeakPolarHBondContact O-CG 3.34Å; T144-Q147 PolarHBondContact O-N 2.88Å; K145-Q147 PolarHBondContact O-N 2.78Å; Q147-Y170 HydrophobicContact CB-CD2 3.98Å; Q147-Y170 HydrophobicContact CB-CE2 4.04Å; Q147-Y170 HydrophobicContact CG-CD2 3.97Å; Q147-Y170 HydrophobicContact CG-CE2 3.58Å; Q147-I325 HydrophobicContact CB-CD1 4.25Å; Q147-I325 WeakPolarHBondContact O-CD1 3.39Å
148I85.7Confident90Very high1 Ų149.8 Ų49.81%0.00528%0.277CS..  trans-109.697.2173.2-54.5-177.4000108.6V140 S141 T144 T168 K323 I325V140-I148 HydrophobicContact CG1-CB 3.73Å; V140-I148 HydrophobicContact CG1-CG2 3.5Å; V140-I148 VanDerWaalsContact CG1-CG2 3.5Å; S141-I148 WeakPolarHBondContact CA-O 3.45Å; S141-I148 PolarHBondContact N-O 3.32Å; T144-I148 HydrophobicContact CG2-CB 4.1Å; T144-I148 HydrophobicContact CG2-CD1 3.93Å; T144-I148 HydrophobicContact CG2-CG1 4.01Å; T144-I148 WeakPolarHBondContact OG1-CB 3.1Å; T144-I148 PolarHBondContact OG1-N 3.49Å; T144-I148 PolarHBondContact OG1-O 3.49Å; I148-T168 HydrophobicContact CD1-CG2 4.32Å; I148-K323 HydrophobicContact CD1-CB 4.22Å; I148-K323 HydrophobicContact CD1-CG 4.17Å; I148-K323 HydrophobicContact CG2-CB 4.45Å; I148-K323 HydrophobicContact CG2-CD 3.93Å; I148-K323 HydrophobicContact CG2-CG 4.27Å; I148-I325 HydrophobicContact CB-CD1 4.49Å; I148-I325 HydrophobicContact CD1-CD1 4.38Å; I148-I325 HydrophobicContact CD1-CG1 4.28Å; I148-I325 HydrophobicContact CG1-CD1 3.48Å; I148-I325 VanDerWaalsContact CG1-CD1 3.48Å; I148-I325 HydrophobicContact CG1-CG1 3.91Å
149Q88.6Confident89.6Confident145 Ų14550.2 Ų50.268%0.67828%0.282SS*.  trans-86.9-34.3-178.6-61.6179.228.700112.8G146G146-Q149 WeakPolarHBondContact O-CG 3.49Å; G146-Q149 PolarHBondContact O-NE2 3.23Å
150E89.4Confident89.4Confident92 Ų9254.7 Ų54.743%0.4331%0.307SS..  trans-128.4109.9178.9-169.1174.183.900110.6R133R133-E150 IonicContact NH1-OE2 3.5Å
151L91.1Very high89.4Confident3 Ų355.1 Ų55.12%0.01631%0.309CS..SBendtrans-98.4-42.4169.2-179.569.6000110.6N137 V140 T166 T168 A283 M321 K323N137-L151 PolarHBondContact OD1-N 3.29Å; V140-L151 HydrophobicContact CG1-CB 4.24Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.65Å; L151-T166 HydrophobicContact CD2-CG2 3.58Å; L151-T168 HydrophobicContact CD1-CG2 3.91Å; L151-T168 HydrophobicContact CD2-CG2 3.78Å; L151-T168 HydrophobicContact CG-CG2 4.4Å; L151-A283 HydrophobicContact CD1-CB 3.83Å; L151-A283 WeakPolarHBondContact O-CB 3.44Å; L151-M321 HydrophobicContact CD1-CB 4.24Å; L151-M321 HydrophobicContact CD2-CB 3.99Å; L151-M321 HydrophobicContact CG-CB 4.04Å; L151-M321 WeakPolarHBondContact O-CE 3.21Å; L151-K323 HydrophobicContact CD1-CB 3.59Å
152I92.2Very high89.4Confident1 Ų154.1 Ų54.11%0.00530%0.302CS..SBendtrans-104.4107.3180-46.5-59.3000108.8R133 I136 N137 L157 V164 M321R133-I152 HydrophobicContact CG-CB 3.98Å; R133-I152 HydrophobicContact CG-CG2 3.8Å; I136-I152 HydrophobicContact CB-CG1 4.14Å; I136-I152 HydrophobicContact CD1-CG1 4.47Å; I136-I152 HydrophobicContact CG2-CD1 4.21Å; I136-I152 HydrophobicContact CG2-CG1 3.56Å; N137-I152 PolarHBondContact ND2-O 2.73Å; N137-I152 PolarHBondContact OD1-N 3.07Å; I152-L157 HydrophobicContact CG2-CD1 4.1Å; I152-L157 HydrophobicContact CG2-CD2 3.92Å; I152-L157 HydrophobicContact CG2-CG 3.67Å; I152-V164 HydrophobicContact CD1-CG1 4.38Å; I152-M321 HydrophobicContact CD1-CB 4.02Å; I152-M321 HydrophobicContact CD1-CE 3.92Å; I152-M321 HydrophobicContact CD1-CG 3.49Å; I152-M321 VanDerWaalsContact CD1-CG 3.49Å; I152-M321 HydrophobicContact CD1-SD 4.19Å
153S91Very high89.5Confident37 Ų3749.5 Ų49.526%0.25928%0.281SS..  trans-70.5158.9176.773.40000111.6G155 S156S153-G155 PolarHBondContact O-N 3Å; S153-S156 WeakPolarHBondContact O-CB 3.47Å; S153-S156 PolarHBondContact O-N 2.92Å; S153-S156 VanDerWaalsContact O-N 3.11Å; S153-S156 PolarHBondContact O-OG 3.42Å; S153-S156 PolarHBondContact OG-OG 3.23Å
154P90.3Very high89.9Confident82 Ų8245.9 Ų45.953%0.53226%0.264SS..THydrogen-bonded Turntrans-50.5141169.6-27.135.8000112.1S156P154-S156 PolarHBondContact O-N 2.89Å
155G87.9Confident90.5Very high65 Ų6545.9 Ų45.967%0.6726%0.264SS*.THydrogen-bonded Turntrans70.74.7-17800000115.6S153S153-G155 PolarHBondContact O-N 3Å
156S87.4Confident90.9Very high24 Ų2439.8 Ų39.817%0.16824%0.237CC..SBendtrans-79.3-22.2176.7-78.10000114.5S153 P154 K285S153-S156 WeakPolarHBondContact O-CB 3.47Å; S153-S156 PolarHBondContact O-N 2.92Å; S153-S156 VanDerWaalsContact O-N 3.11Å; S153-S156 PolarHBondContact O-OG 3.42Å; S153-S156 PolarHBondContact OG-OG 3.23Å; P154-S156 PolarHBondContact O-N 2.89Å; S156-K285 VanDerWaalsContact CB-NZ 3.33Å; S156-K285 VanDerWaalsContact OG-CE 3.23Å; S156-K285 WeakPolarHBondContact OG-CE 3.47Å; S156-K285 PolarHBondContact OG-NZ 3.32Å
157L92.6Very high91.1Very high14 Ų1438.6 Ų38.67%0.07323%0.225CC..  trans-106.6152.9175.6-56.5179.9000109.4F125 I129 R133 I136 I152 T161 V164F125-L157 HydrophobicContact CD1-CD1 4.15Å; F125-L157 HydrophobicContact CE1-CD1 3.92Å; F125-L157 HydrophobicContact CE1-CD2 4.29Å; I129-L157 HydrophobicContact CG2-CB 3.82Å; R133-L157 HydrophobicContact CB-CD1 3.93Å; R133-L157 HydrophobicContact CG-CD1 4.5Å; I136-L157 HydrophobicContact CD1-CD1 4.14Å; I152-L157 HydrophobicContact CG2-CD1 4.1Å; I152-L157 HydrophobicContact CG2-CD2 3.92Å; I152-L157 HydrophobicContact CG2-CG 3.67Å; L157-T161 HydrophobicContact CD2-CG2 4.3Å; L157-V164 HydrophobicContact CD2-CG2 3.93Å
158T91.8Very high91.5Very high59 Ų5936.2 Ų36.236%0.36221%0.214SC..  trans-141.4166.1-175.151.10000109.5D160 T161T158-D160 WeakPolarHBondContact CB-OD1 3.35Å; T158-D160 PolarHBondContact O-N 3.14Å; T158-D160 PolarHBondContact OG1-OD1 3.5Å; T158-T161 PolarHBondContact N-OG1 2.57Å; T158-T161 VanDerWaalsContact N-OG1 3.11Å; T158-T161 WeakPolarHBondContact O-CB 3.21Å; T158-T161 PolarHBondContact O-N 3.38Å; T158-T161 PolarHBondContact O-OG1 3.49Å; T158-T161 PolarHBondContact OG1-OG1 3.12Å; T158-T161 VanDerWaalsContact OG1-OG1 3.13Å
159N88.2Confident91.6Very high110 Ų11036.1 Ų36.159%0.58821%0.214SC*.THydrogen-bonded Turntrans-67.7-18.2178.961.2-3.2000113.8E126 I129 T161E126-N159 WeakPolarHBondContact CG-O 3.39Å; I129-N159 HydrophobicContact CD1-CB 4.38Å; N159-T161 VanDerWaalsContact C-N 3.33Å
160D89.6Confident91.5Very high102 Ų10229.8 Ų29.855%0.54518%0.184SC..THydrogen-bonded Turntrans-89.44.8172.768.3-38.5000113.1T158 S162 F316T158-D160 WeakPolarHBondContact CB-OD1 3.35Å; T158-D160 PolarHBondContact O-N 3.14Å; T158-D160 PolarHBondContact OG1-OD1 3.5Å; D160-S162 PolarHBondContact O-N 3.26Å; D160-F316 WeakPolarHBondContact O-CZ 3.29Å
161T91.7Very high91.5Very high8 Ų825.4 Ų25.45%0.04916%0.163CC..  trans-66.4119.1174.7-62.10000110.1F125 L157 T158 N159 V164 S318F125-T161 WeakPolarHBondContact CB-O 3.28Å; F125-T161 HydrophobicContact CD1-CG2 3.83Å; F125-T161 HydrophobicContact CD2-CG2 3.78Å; F125-T161 VanDerWaalsContact CD2-O 3.23Å; F125-T161 WeakPolarHBondContact CD2-O 3.04Å; F125-T161 HydrophobicContact CE1-CG2 3.83Å; F125-T161 HydrophobicContact CE2-CG2 3.78Å; F125-T161 HydrophobicContact CG-CG2 3.8Å; F125-T161 HydrophobicContact CZ-CG2 3.8Å; L157-T161 HydrophobicContact CD2-CG2 4.3Å; T158-T161 PolarHBondContact N-OG1 2.57Å; T158-T161 VanDerWaalsContact N-OG1 3.11Å; T158-T161 WeakPolarHBondContact O-CB 3.21Å; T158-T161 PolarHBondContact O-N 3.38Å; T158-T161 PolarHBondContact O-OG1 3.49Å; T158-T161 PolarHBondContact OG1-OG1 3.12Å; T158-T161 VanDerWaalsContact OG1-OG1 3.13Å; N159-T161 VanDerWaalsContact C-N 3.33Å; T161-V164 HydrophobicContact CG2-CG2 3.62Å; T161-S318 WeakPolarHBondContact CA-OG 3.36Å
162S93.3Very high91.1Very high12 Ų1227.5 Ų27.58%0.08417%0.172CC..  trans-98.1-49.6-178.4177.80000111.7A99 D160 M315 F316 S318A99-S162 WeakPolarHBondContact CB-O 3.42Å; A99-S162 PolarHBondContact N-O 2.67Å; D160-S162 PolarHBondContact O-N 3.26Å; S162-M315 WeakPolarHBondContact OG-CA 3.48Å; S162-M315 WeakPolarHBondContact OG-CB 3.26Å; S162-F316 VanDerWaalsContact CB-CE1 3.49Å; S162-F316 WeakPolarHBondContact CB-O 3.38Å; S162-F316 PolarHBondContact OG-N 3.36Å; S162-F316 PolarHBondContact OG-O 3.35Å; S162-S318 PolarHBondContact N-OG 3.4Å
163A96.7Very high90.9Very high0 Ų027.5 Ų27.50%017%0.173CC..EExtended strand (participates in β ladder)trans-150.5144.4175.300000112.4L96 F97 M315 F316 I317 S318L96-A163 HydrophobicContact CD1-CB 4.17Å; F97-A163 CarbonylContact O-C 3.56Å; F97-A163 WeakPolarHBondContact O-CA 3.35Å; A163-M315 HydrophobicContact CB-CE 3.66Å; A163-F316 PolarHBondContact N-O 2.85Å; A163-I317 HydrophobicContact CB-CD1 4.05Å; A163-S318 WeakPolarHBondContact O-CB 3.38Å; A163-S318 PolarHBondContact O-N 3.49Å
164V96.9Very high90.9Very high3 Ų328.8 Ų28.82%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-124.3122.4177179.90000108.7F97 F125 I152 L157 T161 T166 M321F97-V164 HydrophobicContact CB-CB 4.5Å; F97-V164 PolarHBondContact N-O 3.05Å; F97-V164 PolarHBondContact O-N 3.44Å; F125-V164 HydrophobicContact CE1-CG2 4.31Å; F125-V164 HydrophobicContact CZ-CB 4.4Å; F125-V164 HydrophobicContact CZ-CG2 3.87Å; I152-V164 HydrophobicContact CD1-CG1 4.38Å; L157-V164 HydrophobicContact CD2-CG2 3.93Å; T161-V164 HydrophobicContact CG2-CG2 3.62Å; V164-T166 HydrophobicContact CG1-CG2 4.23Å; V164-M321 HydrophobicContact CG1-CG 3.78Å
165V97.4Very high91Very high1 Ų125 Ų251%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-92.4128.4171.2-175.40000108A39 V43 L96 I317 D319 V320 M321A39-V165 HydrophobicContact CB-CG1 3.81Å; V43-V165 HydrophobicContact CG2-CG2 3.76Å; L96-V165 HydrophobicContact CD1-CG2 3.75Å; V165-I317 HydrophobicContact CG2-CD1 4.04Å; V165-I317 HydrophobicContact CG2-CG2 4.18Å; V165-D319 PolarHBondContact N-O 2.91Å; V165-D319 VanDerWaalsContact N-O 3.12Å; V165-V320 HydrophobicContact CB-CB 4.4Å; V165-V320 HydrophobicContact CB-CG1 4.16Å; V165-V320 HydrophobicContact CB-CG2 4.07Å; V165-V320 HydrophobicContact CG1-CG1 4.26Å; V165-V320 HydrophobicContact CG2-CG2 4.36Å; V165-V320 CarbonylContact O-C 3.58Å; V165-V320 WeakPolarHBondContact O-CA 3.27Å; V165-M321 PolarHBondContact O-N 2.83Å
166T95.2Very high91.2Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-108.9130.9175.658.50000109.4N94 R95 F97 I136 W139 L151 V164N94-T166 VanDerWaalsContact CA-O 3.32Å; N94-T166 WeakPolarHBondContact CA-O 3.38Å; R95-T166 PolarHBondContact N-O 3.4Å; R95-T166 PolarHBondContact N-OG1 3.24Å; R95-T166 PolarHBondContact O-N 3.47Å; R95-T166 PolarHBondContact O-OG1 2.95Å; R95-T166 VanDerWaalsContact O-OG1 3.05Å; F97-T166 HydrophobicContact CD2-CG2 3.88Å; F97-T166 HydrophobicContact CE2-CG2 3.81Å; I136-T166 HydrophobicContact CG2-CG2 3.92Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.32Å; L151-T166 HydrophobicContact CD2-CG2 3.58Å; V164-T166 HydrophobicContact CG1-CG2 4.23Å
167A93.3Very high91.3Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-129.792.2179.400000108.8N35 A39 N94 M321 H322 K323N35-A167 VanDerWaalsContact ND2-C 3.31Å; A39-A167 HydrophobicContact CB-CB 3.65Å; N94-A167 WeakPolarHBondContact OD1-CA 3.41Å; A167-M321 PolarHBondContact N-O 3.44Å; A167-H322 WeakPolarHBondContact O-CA 3.41Å; A167-H322 PolarHBondContact O-ND1 3.38Å; A167-K323 PolarHBondContact O-N 3.29Å
168T90.8Very high91.2Very high1 Ų129.4 Ų29.41%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-113.1133.8-175.2520000111.6N35 A93 V140 I148 L151N35-T168 PolarHBondContact ND2-N 2.88Å; N35-T168 PolarHBondContact ND2-O 3.4Å; N35-T168 VanDerWaalsContact ND2-O 3.14Å; A93-T168 WeakPolarHBondContact CB-OG1 3.25Å; A93-T168 PolarHBondContact N-O 3.43Å; A93-T168 PolarHBondContact O-N 2.94Å; A93-T168 PolarHBondContact O-OG1 2.85Å; A93-T168 VanDerWaalsContact O-OG1 3.05Å; V140-T168 HydrophobicContact CG1-CG2 3.75Å; V140-T168 HydrophobicContact CG2-CG2 4.2Å; I148-T168 HydrophobicContact CD1-CG2 4.32Å; L151-T168 HydrophobicContact CD1-CG2 3.91Å; L151-T168 HydrophobicContact CD2-CG2 3.78Å; L151-T168 HydrophobicContact CG-CG2 4.4Å
169T88.8Confident91.1Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-132.7127.2-176.1-37.20000111.3S32 N35 I91 L92 K323 A324 I325 F377S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; N35-T169 HydrophobicContact CB-CG2 4.5Å; N35-T169 WeakPolarHBondContact CB-OG1 3.27Å; N35-T169 VanDerWaalsContact CG-OG1 3.29Å; N35-T169 PolarHBondContact ND2-OG1 2.72Å; I91-T169 WeakPolarHBondContact O-CA 3.44Å; I91-T169 WeakPolarHBondContact O-CG2 3.47Å; L92-T169 HydrophobicContact CD2-CG2 3.53Å; L92-T169 HydrophobicContact CG-CG2 4.22Å; T169-K323 PolarHBondContact N-O 3.46Å; T169-K323 VanDerWaalsContact N-O 3.1Å; T169-A324 WeakPolarHBondContact O-CA 3.36Å; T169-I325 PolarHBondContact O-N 2.9Å; T169-F377 HydrophobicContact CG2-CE1 3.6Å; T169-F377 HydrophobicContact CG2-CE2 3.98Å; T169-F377 HydrophobicContact CG2-CZ 3.16Å
170Y87Confident91.2Very high11 Ų1124.1 Ų24.14%0.04313%0.133CC..EExtended strand (participates in β ladder)trans-120.3127.6174.3173-107.4000108.9I90 I91 Q147 K172 I325I90-Y170 WeakPolarHBondContact CA-O 3.39Å; I91-Y170 HydrophobicContact CD1-CD1 3.89Å; I91-Y170 HydrophobicContact CG1-CD1 4.2Å; I91-Y170 PolarHBondContact N-O 3.46Å; I91-Y170 PolarHBondContact O-N 3.16Å; Q147-Y170 HydrophobicContact CB-CD2 3.98Å; Q147-Y170 HydrophobicContact CB-CE2 4.04Å; Q147-Y170 HydrophobicContact CG-CD2 3.97Å; Q147-Y170 HydrophobicContact CG-CE2 3.58Å; Y170-K172 HydrophobicContact CE1-CB 3.74Å; Y170-K172 HydrophobicContact CE1-CD 4.42Å; Y170-K172 WeakPolarHBondContact OH-CD 3.02Å; Y170-I325 HydrophobicContact CD2-CB 4.37Å; Y170-I325 HydrophobicContact CD2-CG2 4.36Å; Y170-I325 HydrophobicContact CE2-CG2 4.49Å
171F87.8Confident91.2Very high1 Ų124 Ų240%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-120.5134.1172.7-180-83.2000110.4V88 I90 F225 F230 F326 I368 F377V88-F171 HydrophobicContact CG1-CD2 4.32Å; V88-F171 HydrophobicContact CG1-CE2 3.49Å; V88-F171 VanDerWaalsContact CG1-CE2 3.49Å; V88-F171 HydrophobicContact CG1-CZ 3.75Å; V88-F171 HydrophobicContact CG2-CZ 4.44Å; I90-F171 HydrophobicContact CB-CD2 4.33Å; I90-F171 HydrophobicContact CD1-CD2 4.46Å; I90-F171 HydrophobicContact CG1-CD2 4.4Å; F171-F225 HydrophobicContact CE1-CD1 4.35Å; F171-F225 HydrophobicContact CE1-CD2 4.33Å; F171-F225 AromaticContact CE1-CE1 3.82Å; F171-F225 HydrophobicContact CE1-CE1 3.82Å; F171-F225 AromaticContact CE1-CE2 3.81Å; F171-F225 HydrophobicContact CE1-CE2 3.81Å; F171-F225 AromaticContact CE1-CZ 3.52Å; F171-F225 HydrophobicContact CE1-CZ 3.52Å; F171-F225 HydrophobicContact CZ-CD1 4.47Å; F171-F225 AromaticContact CZ-CD2 3.91Å; F171-F225 HydrophobicContact CZ-CD2 3.91Å; F171-F225 HydrophobicContact CZ-CE1 4.3Å; F171-F225 AromaticContact CZ-CE2 3.74Å; F171-F225 HydrophobicContact CZ-CE2 3.74Å; F171-F225 HydrophobicContact CZ-CG 4.28Å; F171-F225 AromaticContact CZ-CZ 3.94Å; F171-F225 HydrophobicContact CZ-CZ 3.94Å; F171-F230 HydrophobicContact CE2-CB 4.36Å; F171-F230 AromaticContact CE2-CD1 3.73Å; F171-F230 HydrophobicContact CE2-CD1 3.73Å; F171-F230 HydrophobicContact CE2-CE1 4.17Å; F171-F230 HydrophobicContact CE2-CG 4.07Å; F171-F230 HydrophobicContact CZ-CB 4.25Å; F171-F230 HydrophobicContact CZ-CD1 4.43Å; F171-F230 HydrophobicContact CZ-CG 4.43Å; F171-F326 HydrophobicContact CD1-CD2 4.07Å; F171-F326 HydrophobicContact CD1-CE2 4.01Å; F171-F326 HydrophobicContact CE1-CE2 4.3Å; F171-I368 HydrophobicContact CB-CD1 4.14Å; F171-I368 HydrophobicContact CD1-CD1 3.47Å; F171-I368 VanDerWaalsContact CD1-CD1 3.47Å; F171-I368 HydrophobicContact CD2-CD1 4.23Å; F171-I368 HydrophobicContact CD2-CG2 4.19Å; F171-I368 HydrophobicContact CE1-CD1 3.85Å; F171-I368 HydrophobicContact CE1-CG2 4.43Å; F171-I368 HydrophobicContact CE2-CG2 3.8Å; F171-I368 HydrophobicContact CG-CD1 3.68Å; F171-I368 HydrophobicContact CZ-CD1 4.37Å; F171-I368 HydrophobicContact CZ-CG2 3.93Å; F171-F377 HydrophobicContact CB-CD2 4.28Å; F171-F377 HydrophobicContact CB-CE1 4.46Å; F171-F377 HydrophobicContact CB-CE2 3.43Å; F171-F377 VanDerWaalsContact CB-CE2 3.43Å; F171-F377 HydrophobicContact CB-CZ 3.49Å; F171-F377 VanDerWaalsContact CB-CZ 3.49Å; F171-F377 HydrophobicContact CD2-CE2 4.09Å; F171-F377 HydrophobicContact CG-CE2 4.07Å
172K83.7Confident91.2Very high47 Ų4731.3 Ų31.320%0.20417%0.168CC..EExtended strand (participates in β ladder)trans-135.5120.6174.9-170.5-173-173.8172.10108.5V88 E89 Y170 A333 V334V88-K172 CarbonylContact C-O 3.47Å; V88-K172 WeakPolarHBondContact CA-O 3.45Å; E89-K172 HydrophobicContact CB-CB 4.25Å; E89-K172 PolarHBondContact N-O 3.18Å; E89-K172 PolarHBondContact O-N 3.46Å; E89-K172 VanDerWaalsContact O-O 3.07Å; Y170-K172 HydrophobicContact CE1-CB 3.74Å; Y170-K172 HydrophobicContact CE1-CD 4.42Å; Y170-K172 WeakPolarHBondContact OH-CD 3.02Å; K172-A333 WeakPolarHBondContact CE-O 3.24Å; K172-A333 HydrophobicContact CG-CB 4.07Å; K172-A333 WeakPolarHBondContact CG-O 3.2Å; K172-V334 WeakPolarHBondContact CE-O 3.3Å; K172-V334 PolarHBondContact NZ-O 3.19Å
173G88.2Confident91.2Very high1 Ų133.8 Ų33.81%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-140.5131.5-179.400000111G87 F225 G332G87-G173 CarbonylContact O-C 3.58Å; G87-G173 WeakPolarHBondContact O-CA 3.45Å; G173-F225 VanDerWaalsContact C-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CE1 3.22Å; G173-G332 CarbonylContact O-C 3.52Å; G173-G332 WeakPolarHBondContact O-CA 3.4Å
174M90.8Very high91Very high63 Ų6334.8 Ų34.831%0.3119%0.187SC..  trans-80.5137.1169.3-64.6-179.5-174.200109.5G87 F225 K226 K331G87-M174 PolarHBondContact O-N 2.92Å; M174-F225 CarbonylContact O-C 3.58Å; M174-F225 VanDerWaalsContact O-CA 3.27Å; M174-F225 WeakPolarHBondContact O-CA 3.34Å; M174-F225 WeakPolarHBondContact O-CB 3.34Å; M174-K226 HydrophobicContact CB-CD 3.73Å; M174-K226 HydrophobicContact CB-CG 3.91Å; M174-K226 PolarHBondContact O-N 3.12Å; M174-K226 HydrophobicContact SD-CD 4.03Å; M174-K226 PolarHBondContact SD-NZ 2.76Å; M174-K226 VanDerWaalsContact SD-NZ 3.36Å; M174-K331 VanDerWaalsContact CA-O 3.24Å; M174-K331 WeakPolarHBondContact CA-O 3.44Å
175W92.5Very high90.9Very high3 Ų338 Ų381%0.01120%0.202CC..BIsolated β-bridgetrans-61.2142.6173.1-56.8121.1000110.8L177 F179 I223 F225 K226 L232 V328 D329 K331 G332W175-L177 VanDerWaalsContact C-N 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.44Å; W175-F179 AromaticContact CD1-CD2 3.84Å; W175-F179 AromaticContact CD1-CE2 3.98Å; W175-F179 HydrophobicContact CD2-CE2 4.42Å; W175-F179 HydrophobicContact CG-CE2 4.35Å; W175-F179 AromaticContact NE1-CD2 3.9Å; W175-F179 AromaticContact NE1-CE2 3.82Å; W175-I223 HydrophobicContact CD2-CG2 4.25Å; W175-I223 HydrophobicContact CE3-CB 4.39Å; W175-I223 HydrophobicContact CE3-CG2 3.53Å; W175-I223 HydrophobicContact CZ3-CB 4.11Å; W175-I223 HydrophobicContact CZ3-CG2 3.71Å; W175-F225 HydrophobicContact CD2-CD1 4.47Å; W175-F225 HydrophobicContact CD2-CE1 4.31Å; W175-F225 AromaticContact CE3-CD1 3.74Å; W175-F225 HydrophobicContact CE3-CD1 3.74Å; W175-F225 AromaticContact CE3-CE1 3.63Å; W175-F225 HydrophobicContact CE3-CE1 3.63Å; W175-F225 HydrophobicContact CE3-CG 4.44Å; W175-F225 HydrophobicContact CE3-CZ 4.22Å; W175-F225 HydrophobicContact CH2-CD1 4.49Å; W175-F225 AromaticContact CH2-CE1 3.56Å; W175-F225 HydrophobicContact CH2-CE1 3.56Å; W175-F225 AromaticContact CH2-CZ 3.64Å; W175-F225 HydrophobicContact CH2-CZ 3.64Å; W175-F225 HydrophobicContact CZ2-CE1 4.27Å; W175-F225 AromaticContact CZ3-CD1 3.77Å; W175-F225 HydrophobicContact CZ3-CD1 3.77Å; W175-F225 AromaticContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE2 4.05Å; W175-F225 HydrophobicContact CZ3-CG 4.4Å; W175-F225 AromaticContact CZ3-CZ 3.38Å; W175-F225 HydrophobicContact CZ3-CZ 3.38Å; W175-K226 WeakPolarHBondContact O-CG 3.44Å; W175-L232 HydrophobicContact CH2-CB 3.97Å; W175-L232 HydrophobicContact CH2-CD2 3.55Å; W175-L232 HydrophobicContact CH2-CG 4.37Å; W175-L232 HydrophobicContact CZ2-CD2 4.45Å; W175-L232 HydrophobicContact CZ3-CB 3.84Å; W175-L232 HydrophobicContact CZ3-CD2 4.23Å; W175-V328 HydrophobicContact CZ2-CG1 4.08Å; W175-V328 HydrophobicContact CZ2-CG2 4.27Å; W175-D329 PolarHBondContact NE1-O 3.28Å; W175-K331 PolarHBondContact N-O 2.74Å; W175-G332 VanDerWaalsContact CD1-N 3.3Å
176D91.8Very high90.8Very high89 Ų8942 Ų4248%0.47623%0.226SC..SBendtrans-61-44.8168.3-177.351.8000109.9P224D176-P224 HydrophobicContact CB-CB 4.21Å; D176-P224 HydrophobicContact CB-CG 4.07Å; D176-P224 PolarHBondContact N-O 3.33Å
177L90.2Very high90.8Very high54 Ų5443.4 Ų43.428%0.28324%0.236SC..SBendtrans-116.5100171.4-60.7-179.5000109.8W175 N204 S206W175-L177 VanDerWaalsContact C-N 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.44Å; L177-N204 PolarHBondContact O-ND2 2.79Å; L177-S206 WeakPolarHBondContact CD1-OG 3.44Å
178S89.3Confident91Very high53 Ų5347.6 Ų47.637%0.37126%0.256SS..PPolyproline II helixtrans-62.2152.5176.455.50000112.1N204 E330S178-N204 PolarHBondContact O-ND2 3.14Å; S178-E330 CarbonylContact C-O 3.52Å; S178-E330 WeakPolarHBondContact CA-O 3.39Å; S178-E330 WeakPolarHBondContact CB-O 3.4Å
179F91Very high91.3Very high3 Ų347.6 Ų47.61%0.01326%0.255CS..PPolyproline II helixtrans-77.9126.1168.8-60.7-99.6000108.5W175 E181 M202 N204 L271 L273 E330W175-F179 AromaticContact CD1-CD2 3.84Å; W175-F179 AromaticContact CD1-CE2 3.98Å; W175-F179 HydrophobicContact CD2-CE2 4.42Å; W175-F179 HydrophobicContact CG-CE2 4.35Å; W175-F179 AromaticContact NE1-CD2 3.9Å; W175-F179 AromaticContact NE1-CE2 3.82Å; F179-E181 PolarHBondContact O-N 3.42Å; F179-M202 HydrophobicContact CB-CB 3.89Å; F179-M202 HydrophobicContact CD1-CB 3.65Å; F179-M202 HydrophobicContact CD2-CB 4.47Å; F179-M202 HydrophobicContact CD2-CE 4.12Å; F179-M202 HydrophobicContact CD2-SD 4.32Å; F179-M202 HydrophobicContact CE1-CB 4.33Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.75Å; F179-M202 HydrophobicContact CG-CE 4.48Å; F179-M202 HydrophobicContact CG-SD 4.4Å; F179-N204 HydrophobicContact CD1-CB 3.59Å; F179-N204 HydrophobicContact CE1-CB 3.92Å; F179-N204 HydrophobicContact CG-CB 4.25Å; F179-L271 HydrophobicContact CE1-CD2 4.11Å; F179-L271 HydrophobicContact CE1-CG 4.16Å; F179-L271 HydrophobicContact CZ-CD2 3.87Å; F179-L271 HydrophobicContact CZ-CG 4.34Å; F179-L273 HydrophobicContact CE1-CB 4.27Å; F179-L273 HydrophobicContact CE2-CD2 4.44Å; F179-L273 HydrophobicContact CZ-CB 4.09Å; F179-L273 HydrophobicContact CZ-CD2 4.18Å; F179-E330 HydrophobicContact CB-CB 4.18Å; F179-E330 HydrophobicContact CB-CG 3.97Å; F179-E330 PolarHBondContact N-O 2.79Å; F179-E330 VanDerWaalsContact O-CB 3.31Å; F179-E330 WeakPolarHBondContact O-CB 3.26Å
180P90.2Very high91.7Very high54 Ų5450.4 Ų50.435%0.35127%0.266SS..PPolyproline II helixtrans-61.1127.2172.5-23.334.8000110.3D182 N183P180-D182 PolarHBondContact O-N 3.08Å; P180-N183 HydrophobicContact CB-CB 4.31Å; P180-N183 WeakPolarHBondContact O-CB 3.22Å; P180-N183 PolarHBondContact O-N 3.48Å
181E89.3Confident92Very high101 Ų10152.2 Ų52.247%0.47228%0.275SS..G310 helixtrans-59.3-34.8-178.3-69.8179.3-178.600112F179 N183 S184 E330 K331F179-E181 PolarHBondContact O-N 3.42Å; E181-N183 PolarHBondContact O-N 2.71Å; E181-S184 WeakPolarHBondContact O-CB 3.46Å; E181-S184 PolarHBondContact O-N 2.7Å; E181-S184 VanDerWaalsContact O-N 3.07Å; E181-E330 HydrophobicContact CG-CB 4Å; E181-E330 HydrophobicContact CG-CG 3.93Å; E181-K331 WeakPolarHBondContact OE1-CE 3.41Å; E181-K331 IonicContact OE1-NZ 3.47Å; E181-K331 PolarHBondContact OE1-NZ 2.98Å
182D91.8Very high92.2Very high161 Ų16154.2 Ų54.286%0.86129%0.286SS*.G310 helixtrans-67-15.4177-60.2-31.7000113.6P180P180-D182 PolarHBondContact O-N 3.08Å
183N92.2Very high92.5Very high63 Ų6358 Ų5834%0.33731%0.308SS..G310 helixtrans-92-13.1175.5-66.9-2.3000112.4P180 E181 H185 H203P180-N183 HydrophobicContact CB-CB 4.31Å; P180-N183 WeakPolarHBondContact O-CB 3.22Å; P180-N183 PolarHBondContact O-N 3.48Å; E181-N183 PolarHBondContact O-N 2.71Å; N183-H185 PolarHBondContact O-ND1 3.16Å; N183-H203 HydrophobicContact CB-CB 4.06Å; N183-H203 WeakPolarHBondContact CB-O 3.48Å
184S93.2Very high92.6Very high21 Ų2160.5 Ų60.515%0.14733%0.334CS..  trans-69.8135.3174.7-67.10000110E181 L201 E330E181-S184 WeakPolarHBondContact O-CB 3.46Å; E181-S184 PolarHBondContact O-N 2.7Å; E181-S184 VanDerWaalsContact O-N 3.07Å; S184-L201 WeakPolarHBondContact CA-O 3.41Å; S184-E330 VanDerWaalsContact CB-OE1 3.31Å; S184-E330 WeakPolarHBondContact CB-OE1 3.25Å; S184-E330 PolarHBondContact OG-OE1 2.87Å
185H94.4Very high92.8Very high72 Ų7259.8 Ų59.833%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-148.9151.3-179.856.4-75.8000110.6N183 S187 L201 Y272N183-H185 PolarHBondContact O-ND1 3.16Å; H185-S187 PolarHBondContact O-N 2.71Å; H185-L201 PolarHBondContact N-O 2.91Å; H185-L201 VanDerWaalsContact N-O 3.08Å; H185-L201 WeakPolarHBondContact O-CB 3.29Å; H185-L201 PolarHBondContact O-N 3.11Å; H185-Y272 AromaticContact CE1-CD1 3.92Å; H185-Y272 AromaticContact CE1-CE1 3.79Å
186T96.1Very high92.9Very high84 Ų8464.8 Ų64.852%0.51536%0.357SS..EExtended strand (participates in β ladder)trans-62.8129.8171.6-50.40000110.3S198 V199 E200T186-S198 WeakPolarHBondContact CG2-OG 3.46Å; T186-V199 CarbonylContact C-O 3.55Å; T186-V199 WeakPolarHBondContact CA-O 3.06Å; T186-E200 PolarHBondContact OG1-OE1 3.02Å
187S95.3Very high93Very high29 Ų2961.8 Ų61.820%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-144.1164.8-178.8-156.40000111.9H185 V199H185-S187 PolarHBondContact O-N 2.71Å; S187-V199 PolarHBondContact N-O 3.47Å; S187-V199 PolarHBondContact O-N 2.88Å
188E96.2Very high93.3Very high89 Ų8963 Ų6342%0.41635%0.353SS..EExtended strand (participates in β ladder)trans-78.7132.5176-61.4-173.513700110.7K196E188-K196 HydrophobicContact CB-CD 4.39Å; E188-K196 VanDerWaalsContact CD-CD 3.4Å; E188-K196 HydrophobicContact CG-CD 4.27Å; E188-K196 WeakPolarHBondContact OE1-CD 3.46Å; E188-K196 IonicContact OE1-NZ 2.84Å; E188-K196 PolarHBondContact OE1-NZ 3.28Å; E188-K196 WeakPolarHBondContact OE2-CD 3.29Å; E188-K196 IonicContact OE2-NZ 2.79Å; E188-K196 PolarHBondContact OE2-NZ 3.27Å
189F97.4Very high93.5Very high0 Ų060.6 Ų60.60%034%0.337CS..EExtended strand (participates in β ladder)trans-112.9132165.2-173.2-82.8000109.3K196 M197 V199 P274 N361 H362 P363 F364 P384F189-K196 CarbonylContact O-C 3.52Å; F189-K196 WeakPolarHBondContact O-CA 3.43Å; F189-M197 HydrophobicContact CB-CG 3.78Å; F189-M197 HydrophobicContact CB-SD 4.48Å; F189-M197 HydrophobicContact CD1-CG 4.1Å; F189-M197 HydrophobicContact CD1-SD 3.89Å; F189-M197 HydrophobicContact CG-CG 4.38Å; F189-M197 HydrophobicContact CG-SD 4.5Å; F189-M197 PolarHBondContact N-O 2.99Å; F189-M197 PolarHBondContact O-N 2.93Å; F189-V199 HydrophobicContact CB-CB 4.4Å; F189-V199 HydrophobicContact CB-CG1 3.7Å; F189-V199 HydrophobicContact CB-CG2 3.77Å; F189-V199 HydrophobicContact CG-CG1 4.37Å; F189-P274 HydrophobicContact CE2-CG 4.39Å; F189-N361 CarbonylContact C-O 3.58Å; F189-N361 VanDerWaalsContact CA-O 3.27Å; F189-N361 WeakPolarHBondContact CA-O 3.37Å; F189-H362 VanDerWaalsContact CE2-N 3.29Å; F189-H362 VanDerWaalsContact CZ-CA 3.45Å; F189-P363 HydrophobicContact CE1-CG 4.29Å; F189-P363 HydrophobicContact CZ-CG 4.49Å; F189-F364 HydrophobicContact CE2-CD1 4.3Å; F189-F364 HydrophobicContact CE2-CE1 4.06Å; F189-F364 HydrophobicContact CZ-CD1 4.37Å; F189-F364 HydrophobicContact CZ-CE1 4.32Å; F189-P384 HydrophobicContact CD1-CG 4.27Å; F189-P384 HydrophobicContact CD2-CG 3.68Å; F189-P384 VanDerWaalsContact CE1-CD 3.47Å; F189-P384 HydrophobicContact CE1-CG 4.16Å; F189-P384 HydrophobicContact CE2-CG 3.56Å; F189-P384 HydrophobicContact CG-CG 4.04Å; F189-P384 HydrophobicContact CZ-CG 3.81Å
190Y96.9Very high93.7Very high60 Ų6064.1 Ų64.124%0.23535%0.353CS..EExtended strand (participates in β ladder)trans-93.1121.1-178-59.3-90.1000110.3K196 N240 N361 H362 P363Y190-K196 HydrophobicContact CD1-CD 4.35Å; Y190-K196 HydrophobicContact CD1-CG 3.99Å; Y190-K196 HydrophobicContact CE1-CD 3.99Å; Y190-K196 HydrophobicContact CE1-CG 4.15Å; Y190-N240 WeakPolarHBondContact CB-ND2 3.02Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.43Å; Y190-N240 WeakPolarHBondContact CD2-ND2 3.24Å; Y190-N240 HydrophobicContact CG-CB 4.47Å; Y190-N361 WeakPolarHBondContact CD2-O 3.39Å; Y190-N361 PolarHBondContact N-O 2.73Å; Y190-H362 WeakPolarHBondContact O-CA 3.36Å; Y190-P363 WeakPolarHBondContact O-CD 3.43Å
191E93.4Very high93.9Very high48 Ų4861.6 Ų61.622%0.22434%0.337CS..  trans-80165.8177.4-64-179.1101.600111.8N193 G194 S195 M197E191-N193 WeakPolarHBondContact CB-OD1 3.3Å; E191-N193 PolarHBondContact O-N 3.44Å; E191-G194 PolarHBondContact O-N 3.08Å; E191-S195 PolarHBondContact N-O 2.78Å; E191-S195 PolarHBondContact OE2-OG 3.28Å; E191-M197 HydrophobicContact CG-CG 4.28Å; E191-M197 HydrophobicContact CG-SD 3.94Å
192L91.9Very high94.3Very high43 Ų4356.8 Ų56.823%0.22531%0.314CS..THydrogen-bonded Turntrans-60.1-30.6-177.7-72175.1000113.9W26 G194 L243 P244 P363 T382W26-L192 HydrophobicContact CB-CD1 3.48Å; W26-L192 VanDerWaalsContact CB-CD1 3.48Å; W26-L192 HydrophobicContact CG-CD1 3.78Å; L192-G194 PolarHBondContact O-N 3.49Å; L192-L243 HydrophobicContact CD2-CB 4.18Å; L192-P244 HydrophobicContact CD2-CG 4.33Å; L192-P363 HydrophobicContact CD2-CB 3.85Å; L192-P363 HydrophobicContact CD2-CG 3.63Å; L192-P363 HydrophobicContact CG-CB 4.24Å; L192-P363 HydrophobicContact CG-CG 3.69Å; L192-T382 HydrophobicContact CD1-CG2 4.1Å
193N90.9Very high94.4Very high126 Ų12650.5 Ų50.567%0.67428%0.28SS*.THydrogen-bonded Turntrans-81-1.3177.1642.1000112.9E191 S195E191-N193 WeakPolarHBondContact CB-OD1 3.3Å; E191-N193 PolarHBondContact O-N 3.44Å; N193-S195 VanDerWaalsContact CG-OG 3.3Å; N193-S195 PolarHBondContact ND2-OG 3.26Å; N193-S195 VanDerWaalsContact ND2-OG 3.1Å; N193-S195 PolarHBondContact OD1-N 3.29Å; N193-S195 PolarHBondContact OD1-OG 3.48Å
194G90.7Very high94.5Very high55 Ų5548.3 Ų48.357%0.56727%0.268SS*.SBendtrans85.4-3.1-177.100000115.5E191 L192E191-G194 PolarHBondContact O-N 3.08Å; L192-G194 PolarHBondContact O-N 3.49Å
195S94Very high94.5Very high47 Ų4750.5 Ų50.533%0.32928%0.276SS..  trans-67.7165.916954.80000111.1E191 N193E191-S195 PolarHBondContact N-O 2.78Å; E191-S195 PolarHBondContact OE2-OG 3.28Å; N193-S195 VanDerWaalsContact CG-OG 3.3Å; N193-S195 PolarHBondContact ND2-OG 3.26Å; N193-S195 VanDerWaalsContact ND2-OG 3.1Å; N193-S195 PolarHBondContact OD1-N 3.29Å; N193-S195 PolarHBondContact OD1-OG 3.48Å
196K94.4Very high94.5Very high108 Ų10848.2 Ų48.247%0.4727%0.268SS..EExtended strand (participates in β ladder)trans-120143.9179.5-52.9-171.5-166.8-1770109.8E188 F189 Y190E188-K196 HydrophobicContact CB-CD 4.39Å; E188-K196 VanDerWaalsContact CD-CD 3.4Å; E188-K196 HydrophobicContact CG-CD 4.27Å; E188-K196 WeakPolarHBondContact OE1-CD 3.46Å; E188-K196 IonicContact OE1-NZ 2.84Å; E188-K196 PolarHBondContact OE1-NZ 3.28Å; E188-K196 WeakPolarHBondContact OE2-CD 3.29Å; E188-K196 IonicContact OE2-NZ 2.79Å; E188-K196 PolarHBondContact OE2-NZ 3.27Å; F189-K196 CarbonylContact O-C 3.52Å; F189-K196 WeakPolarHBondContact O-CA 3.43Å; Y190-K196 HydrophobicContact CD1-CD 4.35Å; Y190-K196 HydrophobicContact CD1-CG 3.99Å; Y190-K196 HydrophobicContact CE1-CD 3.99Å; Y190-K196 HydrophobicContact CE1-CG 4.15Å
197M94.3Very high94.4Very high27 Ų2750.5 Ų50.513%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-127.7151.3172.963.8-175.6-55.500109.9F189 E191 V199 S383 L385F189-M197 HydrophobicContact CB-CG 3.78Å; F189-M197 HydrophobicContact CB-SD 4.48Å; F189-M197 HydrophobicContact CD1-CG 4.1Å; F189-M197 HydrophobicContact CD1-SD 3.89Å; F189-M197 HydrophobicContact CG-CG 4.38Å; F189-M197 HydrophobicContact CG-SD 4.5Å; F189-M197 PolarHBondContact N-O 2.99Å; F189-M197 PolarHBondContact O-N 2.93Å; E191-M197 HydrophobicContact CG-CG 4.28Å; E191-M197 HydrophobicContact CG-SD 3.94Å; M197-V199 HydrophobicContact CE-CG1 4.07Å; M197-V199 HydrophobicContact CG-CG1 3.98Å; M197-V199 HydrophobicContact SD-CG1 4.31Å; M197-S383 VanDerWaalsContact CE-OG 3.22Å; M197-S383 WeakPolarHBondContact CE-OG 3.49Å; M197-S383 PolarHBondContact SD-OG 3.2Å; M197-L385 HydrophobicContact CE-CB 3.45Å; M197-L385 VanDerWaalsContact CE-CB 3.45Å; M197-L385 HydrophobicContact CE-CD1 3.42Å; M197-L385 VanDerWaalsContact CE-CD1 3.42Å; M197-L385 HydrophobicContact CE-CG 3.32Å
198S95.4Very high94.5Very high78 Ų7849.3 Ų49.355%0.54526%0.259SS..EExtended strand (participates in β ladder)trans-88.1122178.4-163.70000109.3T186 L385T186-S198 WeakPolarHBondContact CG2-OG 3.46Å; S198-L385 WeakPolarHBondContact O-CD1 3.27Å
199V95.3Very high94.5Very high3 Ų348.2 Ų48.22%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-128.8154-179.5-55.70000111.3T186 S187 F189 M197 L201 P274 P384 L385T186-V199 CarbonylContact C-O 3.55Å; T186-V199 WeakPolarHBondContact CA-O 3.06Å; S187-V199 PolarHBondContact N-O 3.47Å; S187-V199 PolarHBondContact O-N 2.88Å; F189-V199 HydrophobicContact CB-CB 4.4Å; F189-V199 HydrophobicContact CB-CG1 3.7Å; F189-V199 HydrophobicContact CB-CG2 3.77Å; F189-V199 HydrophobicContact CG-CG1 4.37Å; M197-V199 HydrophobicContact CE-CG1 4.07Å; M197-V199 HydrophobicContact CG-CG1 3.98Å; M197-V199 HydrophobicContact SD-CG1 4.31Å; V199-L201 PolarHBondContact O-N 3.2Å; V199-P274 HydrophobicContact CG2-CB 4.24Å; V199-P384 HydrophobicContact CG1-CB 4.18Å; V199-P384 HydrophobicContact CG1-CG 4.2Å; V199-L385 HydrophobicContact CG1-CG 4.3Å
200E94.7Very high94.5Very high77 Ų7750 Ų5036%0.3627%0.265SS..EExtended strand (participates in β ladder)trans-78.1111.9169.4-69.8-57.4121.500109.8T186 P274 K275T186-E200 PolarHBondContact OG1-OE1 3.02Å; E200-P274 WeakPolarHBondContact O-CA 3.48Å; E200-K275 HydrophobicContact CB-CD 3.96Å; E200-K275 HydrophobicContact CB-CG 4.23Å; E200-K275 PolarHBondContact O-N 3.12Å
201L95Very high94.5Very high1 Ų147.3 Ų47.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-104.8111.9-176-167.570000109.5S184 H185 V199 Y272 P274 R359S184-L201 WeakPolarHBondContact CA-O 3.41Å; H185-L201 PolarHBondContact N-O 2.91Å; H185-L201 VanDerWaalsContact N-O 3.08Å; H185-L201 WeakPolarHBondContact O-CB 3.29Å; H185-L201 PolarHBondContact O-N 3.11Å; V199-L201 PolarHBondContact O-N 3.2Å; L201-Y272 HydrophobicContact CD2-CD1 3.93Å; L201-Y272 HydrophobicContact CD2-CG 4.14Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; L201-P274 HydrophobicContact CD1-CB 4.33Å; L201-R359 HydrophobicContact CD2-CG 4.37Å
202M95.8Very high94.7Very high0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-78.1144.6177.7-49.4179.8-64.900109.9F179 Y272 L273 K275 V328 E330F179-M202 HydrophobicContact CB-CB 3.89Å; F179-M202 HydrophobicContact CD1-CB 3.65Å; F179-M202 HydrophobicContact CD2-CB 4.47Å; F179-M202 HydrophobicContact CD2-CE 4.12Å; F179-M202 HydrophobicContact CD2-SD 4.32Å; F179-M202 HydrophobicContact CE1-CB 4.33Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.75Å; F179-M202 HydrophobicContact CG-CE 4.48Å; F179-M202 HydrophobicContact CG-SD 4.4Å; M202-Y272 CarbonylContact O-C 3.58Å; M202-Y272 WeakPolarHBondContact O-CA 3.43Å; M202-L273 WeakPolarHBondContact CB-O 3.26Å; M202-L273 HydrophobicContact CE-CB 4.09Å; M202-L273 HydrophobicContact CE-CD2 3.95Å; M202-L273 HydrophobicContact CE-CG 4.14Å; M202-L273 WeakPolarHBondContact CE-O 3.46Å; M202-L273 PolarHBondContact N-O 2.95Å; M202-L273 PolarHBondContact O-N 2.93Å; M202-K275 HydrophobicContact CG-CD 4.47Å; M202-K275 HydrophobicContact CG-CG 3.68Å; M202-K275 HydrophobicContact SD-CG 3.75Å; M202-V328 HydrophobicContact CE-CG1 3.49Å; M202-V328 VanDerWaalsContact CE-CG1 3.49Å; M202-E330 HydrophobicContact CG-CG 4.11Å; M202-E330 VanDerWaalsContact SD-CA 3.6Å; M202-E330 HydrophobicContact SD-CB 4.36Å; M202-E330 HydrophobicContact SD-CG 3.89Å; M202-E330 PolarHBondContact SD-N 3.18Å
203H95.7Very high94.9Very high29 Ų2947.2 Ų47.213%0.13426%0.263CS..EExtended strand (participates in β ladder)trans-131.7133.6-178.7169-120.8000113N183 N270 L271 Y272N183-H203 HydrophobicContact CB-CB 4.06Å; N183-H203 WeakPolarHBondContact CB-O 3.48Å; H203-N270 PolarHBondContact NE2-OD1 3.24Å; H203-L271 WeakPolarHBondContact CA-O 3.21Å; H203-Y272 HydrophobicContact CB-CD1 3.65Å; H203-Y272 HydrophobicContact CB-CE1 3.63Å; H203-Y272 AromaticContact CD2-CD1 3.78Å; H203-Y272 AromaticContact CD2-CE1 3.3Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.44Å; H203-Y272 AromaticContact CD2-CE2 3.92Å; H203-Y272 AromaticContact CD2-CZ 3.36Å; H203-Y272 AromaticContact CG-CD1 3.92Å; H203-Y272 AromaticContact CG-CE1 3.44Å; H203-Y272 VanDerWaalsContact CG-CE1 3.44Å; H203-Y272 AromaticContact CG-CZ 3.95Å; H203-Y272 AromaticContact NE2-CZ 3.75Å
204N93.3Very high95.2Very high18 Ų1845.8 Ų45.810%0.09626%0.261CS..EExtended strand (participates in β ladder)trans-141.8126172.7-168.2-7.2000110.6L177 S178 F179 F208 L271L177-N204 PolarHBondContact O-ND2 2.79Å; S178-N204 PolarHBondContact O-ND2 3.14Å; F179-N204 HydrophobicContact CD1-CB 3.59Å; F179-N204 HydrophobicContact CE1-CB 3.92Å; F179-N204 HydrophobicContact CG-CB 4.25Å; N204-F208 HydrophobicContact CB-CZ 4.49Å; N204-L271 PolarHBondContact N-O 2.98Å; N204-L271 PolarHBondContact O-N 3.12Å
205E93.9Very high95.3Very high67 Ų6746.9 Ų46.931%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-92105.3170-172.2-172.5131.300109.4K268 L269E205-K268 WeakPolarHBondContact OE1-CE 3.33Å; E205-K268 IonicContact OE1-NZ 2.67Å; E205-K268 PolarHBondContact OE1-NZ 3.21Å; E205-L269 WeakPolarHBondContact CA-O 3.33Å
206S94.1Very high95.5Very high24 Ų2445 Ų4517%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-156.2-177179.5-165.90000112L177 K268 L269L177-S206 WeakPolarHBondContact CD1-OG 3.44Å; S206-K268 CarbonylContact O-C 3.58Å; S206-K268 WeakPolarHBondContact O-CA 3.41Å; S206-L269 PolarHBondContact N-O 3.4Å; S206-L269 VanDerWaalsContact N-O 3.12Å; S206-L269 PolarHBondContact O-N 3.39Å
207Y94.7Very high95.6Very high132 Ų13246.5 Ų46.552%0.51824%0.244SC..EExtended strand (participates in β ladder)trans-85.9123171.1-74.4-95.8000110.1N266 T267 K268Y207-N266 WeakPolarHBondContact CB-OD1 3.32Å; Y207-T267 WeakPolarHBondContact CA-O 3.41Å; Y207-K268 HydrophobicContact CD1-CB 4.15Å; Y207-K268 HydrophobicContact CD2-CG 4.44Å; Y207-K268 HydrophobicContact CE1-CB 3.81Å; Y207-K268 HydrophobicContact CE2-CB 4.19Å; Y207-K268 HydrophobicContact CE2-CD 4.27Å; Y207-K268 HydrophobicContact CE2-CG 4.11Å; Y207-K268 HydrophobicContact CG-CB 4.49Å
208F95.5Very high95.8Very high4 Ų445.2 Ų45.22%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-131.3153.4173.7-60.1-82.5000110.3N204 M210 V221 I223 T267 L269 L271N204-F208 HydrophobicContact CB-CZ 4.49Å; F208-M210 PolarHBondContact O-N 2.86Å; F208-V221 HydrophobicContact CB-CG2 3.71Å; F208-V221 HydrophobicContact CG-CG2 4.4Å; F208-I223 HydrophobicContact CE1-CG2 4.17Å; F208-T267 PolarHBondContact N-O 3.07Å; F208-T267 PolarHBondContact O-N 2.91Å; F208-L269 HydrophobicContact CB-CD1 4.27Å; F208-L269 HydrophobicContact CD2-CB 4.41Å; F208-L271 HydrophobicContact CD1-CD2 4.21Å; F208-L271 HydrophobicContact CD2-CB 4.09Å; F208-L271 HydrophobicContact CD2-CD2 4.09Å; F208-L271 HydrophobicContact CE1-CD2 3.94Å; F208-L271 HydrophobicContact CE2-CB 3.75Å; F208-L271 HydrophobicContact CE2-CD2 3.8Å; F208-L271 HydrophobicContact CE2-CG 4.45Å; F208-L271 HydrophobicContact CG-CD2 4.28Å; F208-L271 HydrophobicContact CZ-CB 4.41Å; F208-L271 HydrophobicContact CZ-CD2 3.72Å
209N96.5Very high95.9Very high65 Ų6544.7 Ų44.735%0.34822%0.224SC..EExtended strand (participates in β ladder)trans-76.6113.9175.1-80.4-25.6000109V221 K222 F264 N266N209-V221 CarbonylContact O-C 3.59Å; N209-V221 WeakPolarHBondContact O-CA 3.41Å; N209-K222 HydrophobicContact CB-CB 3.88Å; N209-K222 PolarHBondContact O-N 3.05Å; N209-F264 HydrophobicContact CB-CB 4.14Å; N209-F264 HydrophobicContact CB-CD1 4.3Å; N209-N266 WeakPolarHBondContact OD1-CA 3.4Å
210M97.4Very high96.1Very high38 Ų3844.5 Ų44.519%0.18722%0.223CC..EExtended strand (participates in β ladder)trans-122.3144.1-178.7-178.7-171.4173.800111.4F208 R219 A220 F264 Q265 L269 F358F208-M210 PolarHBondContact O-N 2.86Å; M210-R219 HydrophobicContact CE-CB 4.08Å; M210-A220 CarbonylContact C-O 3.56Å; M210-A220 VanDerWaalsContact CA-O 3.26Å; M210-A220 WeakPolarHBondContact CA-O 3.36Å; M210-A220 WeakPolarHBondContact CG-O 3.42Å; M210-F264 WeakPolarHBondContact O-CA 3.46Å; M210-Q265 PolarHBondContact N-O 3.12Å; M210-Q265 PolarHBondContact O-N 2.89Å; M210-L269 HydrophobicContact CB-CD1 3.73Å; M210-L269 HydrophobicContact CG-CD1 4.18Å; M210-L269 HydrophobicContact SD-CD1 3.79Å; M210-L269 HydrophobicContact SD-CD2 3.69Å; M210-L269 HydrophobicContact SD-CG 4.39Å; M210-F358 HydrophobicContact CE-CD2 3.96Å; M210-F358 HydrophobicContact CE-CE2 4.34Å; M210-F358 HydrophobicContact CG-CD2 4.35Å; M210-F358 HydrophobicContact SD-CD2 4.19Å
211A97.8Very high96.3Very high4 Ų440.9 Ų40.93%0.03321%0.206CC..EExtended strand (participates in β ladder)trans-130.6144.8173.100000110.8L213 R219 A220 F264A211-L213 HydrophobicContact CB-CD2 4.43Å; A211-R219 WeakPolarHBondContact O-CA 3.45Å; A211-A220 PolarHBondContact N-O 2.88Å; A211-A220 PolarHBondContact O-N 3.19Å; A211-F264 HydrophobicContact CB-CD1 3.76Å; A211-F264 HydrophobicContact CB-CD2 4.22Å; A211-F264 HydrophobicContact CB-CE1 3.77Å; A211-F264 HydrophobicContact CB-CE2 4.23Å; A211-F264 HydrophobicContact CB-CG 3.99Å; A211-F264 HydrophobicContact CB-CZ 4.01Å
212S97.1Very high96.3Very high88 Ų8841.5 Ų41.562%0.61521%0.209SC*.EExtended strand (participates in β ladder)trans-90.2134.8165.1-179.80000109.1P214S212-P214 VanDerWaalsContact C-CD 3.4Å; S212-P214 WeakPolarHBondContact O-CD 3.36Å
213L97.3Very high96.3Very high0 Ų041.6 Ų41.60%021%0.209CC..EExtended strand (participates in β ladder)trans-122.467.1-177.6-54.2173.4000109.5A211 H215 L216 K217 S218 A220 V235 I259 S262A211-L213 HydrophobicContact CB-CD2 4.43Å; L213-H215 PolarHBondContact O-N 3.42Å; L213-L216 HydrophobicContact CB-CB 4.22Å; L213-L216 HydrophobicContact CD1-CD1 4.32Å; L213-L216 CarbonylContact O-C 3.31Å; L213-L216 WeakPolarHBondContact O-CA 3.39Å; L213-L216 PolarHBondContact O-N 3.31Å; L213-K217 PolarHBondContact O-N 3.12Å; L213-K217 VanDerWaalsContact O-N 3.1Å; L213-S218 CarbonylContact C-O 3.55Å; L213-S218 VanDerWaalsContact C-O 3.31Å; L213-S218 VanDerWaalsContact CA-O 3.27Å; L213-S218 WeakPolarHBondContact CA-O 3.43Å; L213-S218 WeakPolarHBondContact CB-O 3.45Å; L213-S218 PolarHBondContact N-O 3.04Å; L213-S218 PolarHBondContact O-N 3.28Å; L213-A220 HydrophobicContact CD1-CB 3.73Å; L213-A220 HydrophobicContact CG-CB 4.4Å; L213-V235 HydrophobicContact CD1-CG1 3.86Å; L213-I259 HydrophobicContact CD1-CG1 4.28Å; L213-I259 HydrophobicContact CD1-CG2 3.95Å; L213-S262 VanDerWaalsContact CD2-OG 3.27Å; L213-S262 WeakPolarHBondContact CD2-OG 3.39Å
214P95.6Very high96.3Very high97 Ų9742 Ų4263%0.6321%0.214SC*.G310 helixtrans-61.3-31.7-173.824-34.3000113S212 L216 K217S212-P214 VanDerWaalsContact C-CD 3.4Å; S212-P214 WeakPolarHBondContact O-CD 3.36Å; P214-L216 PolarHBondContact O-N 2.93Å; P214-K217 PolarHBondContact O-N 3.34Å; P214-K217 VanDerWaalsContact O-N 3.09Å
215H94.1Very high96.3Very high77 Ų7741.2 Ų41.236%0.35621%0.21SC..G310 helixtrans-66.6-18.9175.462.7-80.8000113.3L213L213-H215 PolarHBondContact O-N 3.42Å
216L96.8Very high96.2Very high8 Ų842.6 Ų42.64%0.04222%0.215CC..G310 helixtrans-108.76.5173-62.5178000112.7L213 P214 S218 L246 M250 H253 I259L213-L216 HydrophobicContact CB-CB 4.22Å; L213-L216 HydrophobicContact CD1-CD1 4.32Å; L213-L216 CarbonylContact O-C 3.31Å; L213-L216 WeakPolarHBondContact O-CA 3.39Å; L213-L216 PolarHBondContact O-N 3.31Å; P214-L216 PolarHBondContact O-N 2.93Å; L216-S218 PolarHBondContact O-N 3.27Å; L216-S218 PolarHBondContact O-OG 3.23Å; L216-L246 HydrophobicContact CB-CD1 3.91Å; L216-L246 HydrophobicContact CD1-CD1 4Å; L216-L246 HydrophobicContact CG-CD1 4.37Å; L216-M250 HydrophobicContact CD1-CG 4.37Å; L216-H253 HydrophobicContact CD2-CB 4.23Å; L216-I259 HydrophobicContact CD1-CD1 3.9Å; L216-I259 HydrophobicContact CD1-CG1 3.75Å
217K97.4Very high96Very high140 Ų14042.5 Ų42.561%0.60921%0.213SC*.THydrogen-bonded Turntrans47.844.4-174.3-55.4176.9-175.4171.90112.2L213 P214 D238L213-K217 PolarHBondContact O-N 3.12Å; L213-K217 VanDerWaalsContact O-N 3.1Å; P214-K217 PolarHBondContact O-N 3.34Å; P214-K217 VanDerWaalsContact O-N 3.09Å; K217-D238 PolarHBondContact O-N 3.09Å
218S98.5Very high95.8Very high0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-147.4171.4-169.3-630000111.1L213 L216 L236 P237 D238L213-S218 CarbonylContact C-O 3.55Å; L213-S218 VanDerWaalsContact C-O 3.31Å; L213-S218 VanDerWaalsContact CA-O 3.27Å; L213-S218 WeakPolarHBondContact CA-O 3.43Å; L213-S218 WeakPolarHBondContact CB-O 3.45Å; L213-S218 PolarHBondContact N-O 3.04Å; L213-S218 PolarHBondContact O-N 3.28Å; L216-S218 PolarHBondContact O-N 3.27Å; L216-S218 PolarHBondContact O-OG 3.23Å; S218-L236 CarbonylContact C-O 3.45Å; S218-L236 VanDerWaalsContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CB-O 3.49Å; S218-P237 WeakPolarHBondContact OG-CA 3.19Å; S218-D238 PolarHBondContact N-OD2 2.95Å
219R98Very high95.8Very high66 Ų6645.7 Ų45.725%0.24924%0.239CC..EExtended strand (participates in β ladder)trans-133.6153.3170.549.5179.9167.7167-0.5109.8M210 A211 L236 E357 F358M210-R219 HydrophobicContact CE-CB 4.08Å; A211-R219 WeakPolarHBondContact O-CA 3.45Å; R219-L236 HydrophobicContact CG-CB 4.44Å; R219-L236 PolarHBondContact N-O 3.48Å; R219-L236 PolarHBondContact O-N 3.48Å; R219-E357 PolarHBondContact NH1-O 3.4Å; R219-F358 HydrophobicContact CB-CE2 3.94Å; R219-F358 HydrophobicContact CG-CD2 4.31Å; R219-F358 HydrophobicContact CG-CE2 3.61Å; R219-F358 HydrophobicContact CG-CZ 4.11Å
220A98.6Very high95.7Very high0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-127.6147.6-178.200000112.2M210 A211 L213 L233 V234 V235 F264M210-A220 CarbonylContact C-O 3.56Å; M210-A220 VanDerWaalsContact CA-O 3.26Å; M210-A220 WeakPolarHBondContact CA-O 3.36Å; M210-A220 WeakPolarHBondContact CG-O 3.42Å; A211-A220 PolarHBondContact N-O 2.88Å; A211-A220 PolarHBondContact O-N 3.19Å; L213-A220 HydrophobicContact CD1-CB 3.73Å; L213-A220 HydrophobicContact CG-CB 4.4Å; A220-L233 HydrophobicContact CB-CD1 4.02Å; A220-V234 CarbonylContact C-O 3.55Å; A220-V234 WeakPolarHBondContact CA-O 3.48Å; A220-V235 HydrophobicContact CB-CG2 4.04Å; A220-F264 HydrophobicContact CB-CE1 3.91Å; A220-F264 HydrophobicContact CB-CZ 3.98Å
221V98.3Very high95.6Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-131.4141.4170.967.30000110.1F208 N209 I223 V234 L269 L271 F358F208-V221 HydrophobicContact CB-CG2 3.71Å; F208-V221 HydrophobicContact CG-CG2 4.4Å; N209-V221 CarbonylContact O-C 3.59Å; N209-V221 WeakPolarHBondContact O-CA 3.41Å; V221-I223 HydrophobicContact CG1-CG1 4.37Å; V221-V234 HydrophobicContact CG1-CB 3.92Å; V221-V234 PolarHBondContact N-O 2.88Å; V221-V234 PolarHBondContact O-N 3.36Å; V221-L269 HydrophobicContact CG2-CD1 4.48Å; V221-L271 HydrophobicContact CG1-CD1 4.08Å; V221-F358 HydrophobicContact CB-CD1 4.38Å; V221-F358 HydrophobicContact CB-CD2 4.15Å; V221-F358 HydrophobicContact CB-CE1 4.22Å; V221-F358 HydrophobicContact CB-CE2 3.98Å; V221-F358 HydrophobicContact CB-CG 4.35Å; V221-F358 HydrophobicContact CB-CZ 4.03Å; V221-F358 HydrophobicContact CG1-CD1 3.8Å; V221-F358 HydrophobicContact CG1-CD2 4.42Å; V221-F358 HydrophobicContact CG1-CE1 3.51Å; V221-F358 HydrophobicContact CG1-CE2 4.17Å; V221-F358 HydrophobicContact CG1-CG 4.26Å; V221-F358 HydrophobicContact CG1-CZ 3.73Å
222K96.9Very high95.5Very high15 Ų1541.1 Ų41.17%0.06522%0.215CC..EExtended strand (participates in β ladder)trans-107.4118.3175.4-86.2-175.4179.8-167.60108.6N209 T231 L232 L233 F264 D372N209-K222 HydrophobicContact CB-CB 3.88Å; N209-K222 PolarHBondContact O-N 3.05Å; K222-T231 HydrophobicContact CB-CG2 3.51Å; K222-T231 HydrophobicContact CD-CG2 4.21Å; K222-T231 HydrophobicContact CG-CG2 3.75Å; K222-L232 WeakPolarHBondContact CA-O 3.33Å; K222-L233 HydrophobicContact CG-CD1 4.05Å; K222-F264 HydrophobicContact CB-CD1 4.48Å; K222-F264 HydrophobicContact CB-CE1 4.47Å; K222-F264 HydrophobicContact CD-CD1 4.07Å; K222-F264 HydrophobicContact CD-CD2 4.29Å; K222-F264 HydrophobicContact CD-CE1 4.1Å; K222-F264 HydrophobicContact CD-CE2 4.31Å; K222-F264 HydrophobicContact CD-CG 4.18Å; K222-F264 HydrophobicContact CD-CZ 4.23Å; K222-F264 HydrophobicContact CG-CD1 4.09Å; K222-F264 HydrophobicContact CG-CE1 3.8Å; K222-F264 HydrophobicContact CG-CZ 4.16Å; K222-D372 IonicContact NZ-OD1 3.63Å; K222-D372 PolarHBondContact NZ-OD1 2.77Å
223I95.5Very high95.5Very high1 Ų137 Ų371%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-109.3108.9-178.6-49.4169.2000108.1W175 F208 V221 L232 V234 L271 L273W175-I223 HydrophobicContact CD2-CG2 4.25Å; W175-I223 HydrophobicContact CE3-CB 4.39Å; W175-I223 HydrophobicContact CE3-CG2 3.53Å; W175-I223 HydrophobicContact CZ3-CB 4.11Å; W175-I223 HydrophobicContact CZ3-CG2 3.71Å; F208-I223 HydrophobicContact CE1-CG2 4.17Å; V221-I223 HydrophobicContact CG1-CG1 4.37Å; I223-L232 HydrophobicContact CB-CB 4.37Å; I223-L232 HydrophobicContact CD1-CD2 4.32Å; I223-L232 PolarHBondContact N-O 3.43Å; I223-L232 PolarHBondContact O-N 3.27Å; I223-V234 HydrophobicContact CD1-CG2 4.23Å; I223-L271 HydrophobicContact CD1-CD2 3.73Å; I223-L271 HydrophobicContact CG1-CD2 3.87Å; I223-L273 HydrophobicContact CD1-CD2 3.96Å
224P94.2Very high95.6Very high38 Ų3837 Ų3725%0.24719%0.186CC..EExtended strand (participates in β ladder)trans-73.1141-176.128-32.5000111.9D176D176-P224 HydrophobicContact CB-CB 4.21Å; D176-P224 HydrophobicContact CB-CG 4.07Å; D176-P224 PolarHBondContact N-O 3.33Å
225F93.2Very high95.7Very high2 Ų232.3 Ų32.31%0.00916%0.156CC..BIsolated β-bridgetrans-84.5166.1164.3-64.9-79.6000110.3V88 F171 G173 M174 W175 N227 F230 L232 F326 I368V88-F225 HydrophobicContact CG2-CB 3.66Å; V88-F225 HydrophobicContact CG2-CG 4.28Å; F171-F225 HydrophobicContact CE1-CD1 4.35Å; F171-F225 HydrophobicContact CE1-CD2 4.33Å; F171-F225 AromaticContact CE1-CE1 3.82Å; F171-F225 HydrophobicContact CE1-CE1 3.82Å; F171-F225 AromaticContact CE1-CE2 3.81Å; F171-F225 HydrophobicContact CE1-CE2 3.81Å; F171-F225 AromaticContact CE1-CZ 3.52Å; F171-F225 HydrophobicContact CE1-CZ 3.52Å; F171-F225 HydrophobicContact CZ-CD1 4.47Å; F171-F225 AromaticContact CZ-CD2 3.91Å; F171-F225 HydrophobicContact CZ-CD2 3.91Å; F171-F225 HydrophobicContact CZ-CE1 4.3Å; F171-F225 AromaticContact CZ-CE2 3.74Å; F171-F225 HydrophobicContact CZ-CE2 3.74Å; F171-F225 HydrophobicContact CZ-CG 4.28Å; F171-F225 AromaticContact CZ-CZ 3.94Å; F171-F225 HydrophobicContact CZ-CZ 3.94Å; G173-F225 VanDerWaalsContact C-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CE1 3.22Å; M174-F225 CarbonylContact O-C 3.58Å; M174-F225 VanDerWaalsContact O-CA 3.27Å; M174-F225 WeakPolarHBondContact O-CA 3.34Å; M174-F225 WeakPolarHBondContact O-CB 3.34Å; W175-F225 HydrophobicContact CD2-CD1 4.47Å; W175-F225 HydrophobicContact CD2-CE1 4.31Å; W175-F225 AromaticContact CE3-CD1 3.74Å; W175-F225 HydrophobicContact CE3-CD1 3.74Å; W175-F225 AromaticContact CE3-CE1 3.63Å; W175-F225 HydrophobicContact CE3-CE1 3.63Å; W175-F225 HydrophobicContact CE3-CG 4.44Å; W175-F225 HydrophobicContact CE3-CZ 4.22Å; W175-F225 HydrophobicContact CH2-CD1 4.49Å; W175-F225 AromaticContact CH2-CE1 3.56Å; W175-F225 HydrophobicContact CH2-CE1 3.56Å; W175-F225 AromaticContact CH2-CZ 3.64Å; W175-F225 HydrophobicContact CH2-CZ 3.64Å; W175-F225 HydrophobicContact CZ2-CE1 4.27Å; W175-F225 AromaticContact CZ3-CD1 3.77Å; W175-F225 HydrophobicContact CZ3-CD1 3.77Å; W175-F225 AromaticContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE2 4.05Å; W175-F225 HydrophobicContact CZ3-CG 4.4Å; W175-F225 AromaticContact CZ3-CZ 3.38Å; W175-F225 HydrophobicContact CZ3-CZ 3.38Å; F225-N227 CarbonylContact O-C 3.57Å; F225-N227 VanDerWaalsContact O-C 3.22Å; F225-N227 PolarHBondContact O-N 2.96Å; F225-F230 HydrophobicContact CB-CB 4.31Å; F225-F230 HydrophobicContact CD2-CB 3.77Å; F225-F230 WeakPolarHBondContact CD2-O 3.27Å; F225-F230 HydrophobicContact CG-CB 4.42Å; F225-F230 PolarHBondContact N-O 3.39Å; F225-L232 HydrophobicContact CE2-CB 3.97Å; F225-L232 HydrophobicContact CZ-CB 4.07Å; F225-F326 HydrophobicContact CZ-CE2 4.34Å; F225-F326 HydrophobicContact CZ-CZ 4.47Å; F225-I368 HydrophobicContact CE2-CG2 4.43Å
226K91.7Very high95.9Very high95 Ų9528.7 Ų28.741%0.41314%0.139SC..SBendtrans-53-30.7177.4-76.9-168.5179.4168.70113.5M174 W175 P228M174-K226 HydrophobicContact CB-CD 3.73Å; M174-K226 HydrophobicContact CB-CG 3.91Å; M174-K226 PolarHBondContact O-N 3.12Å; M174-K226 HydrophobicContact SD-CD 4.03Å; M174-K226 PolarHBondContact SD-NZ 2.76Å; M174-K226 VanDerWaalsContact SD-NZ 3.36Å; W175-K226 WeakPolarHBondContact O-CG 3.44Å; K226-P228 WeakPolarHBondContact O-CD 3.06Å
227N91.9Very high96Very high23 Ų2328.4 Ų28.412%0.12314%0.138CC..SBendtrans-90.2108.2163.1-179.5-5.7000108.1S85 V88 F225 K229 F230S85-N227 WeakPolarHBondContact CB-ND2 3.32Å; S85-N227 PolarHBondContact OG-ND2 2.95Å; V88-N227 HydrophobicContact CB-CB 4.12Å; V88-N227 HydrophobicContact CG2-CB 3.79Å; F225-N227 CarbonylContact O-C 3.57Å; F225-N227 VanDerWaalsContact O-C 3.22Å; F225-N227 PolarHBondContact O-N 2.96Å; N227-K229 PolarHBondContact O-N 2.98Å; N227-K229 WeakPolarHBondContact OD1-CB 3.38Å; N227-K229 WeakPolarHBondContact OD1-CG 3.35Å; N227-K229 PolarHBondContact OD1-N 2.81Å; N227-K229 VanDerWaalsContact OD1-N 3.14Å; N227-F230 HydrophobicContact CB-CD2 4.14Å; N227-F230 PolarHBondContact O-N 3.46Å
228P90.5Very high96Very high98 Ų9826 Ų2664%0.63613%0.132SC*.THydrogen-bonded Turntrans-67.4-8.3-173.429.2-37.1000113.4K226 F230K226-P228 WeakPolarHBondContact O-CD 3.06Å; P228-F230 PolarHBondContact O-N 2.64Å
229K93.8Very high96Very high104 Ų10429.9 Ų29.945%0.45216%0.155SC..THydrogen-bonded Turntrans-66.5-22.7168.7-65.1-174.3174.9-174.40112.3N227 W370 N371N227-K229 PolarHBondContact O-N 2.98Å; N227-K229 WeakPolarHBondContact OD1-CB 3.38Å; N227-K229 WeakPolarHBondContact OD1-CG 3.35Å; N227-K229 PolarHBondContact OD1-N 2.81Å; N227-K229 VanDerWaalsContact OD1-N 3.14Å; K229-W370 CarbonylContact O-C 3.22Å; K229-W370 VanDerWaalsContact O-CA 3.26Å; K229-W370 WeakPolarHBondContact O-CA 3.33Å; K229-N371 WeakPolarHBondContact CD-OD1 3.2Å; K229-N371 WeakPolarHBondContact CG-OD1 3.41Å; K229-N371 PolarHBondContact O-N 3.35Å
230F94.1Very high95.9Very high3 Ų329.7 Ų29.71%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-109.2132.8179-63.3-85000109.9V88 F171 F225 N227 P228 I368 I369 W370V88-F230 HydrophobicContact CB-CD2 4.13Å; V88-F230 HydrophobicContact CB-CE2 4.44Å; V88-F230 HydrophobicContact CG1-CD2 3.71Å; V88-F230 HydrophobicContact CG1-CE2 3.86Å; V88-F230 HydrophobicContact CG1-CG 4.1Å; V88-F230 HydrophobicContact CG1-CZ 4.37Å; V88-F230 HydrophobicContact CG2-CB 4.44Å; V88-F230 HydrophobicContact CG2-CD2 4.18Å; F171-F230 HydrophobicContact CE2-CB 4.36Å; F171-F230 AromaticContact CE2-CD1 3.73Å; F171-F230 HydrophobicContact CE2-CD1 3.73Å; F171-F230 HydrophobicContact CE2-CE1 4.17Å; F171-F230 HydrophobicContact CE2-CG 4.07Å; F171-F230 HydrophobicContact CZ-CB 4.25Å; F171-F230 HydrophobicContact CZ-CD1 4.43Å; F171-F230 HydrophobicContact CZ-CG 4.43Å; F225-F230 HydrophobicContact CB-CB 4.31Å; F225-F230 HydrophobicContact CD2-CB 3.77Å; F225-F230 WeakPolarHBondContact CD2-O 3.27Å; F225-F230 HydrophobicContact CG-CB 4.42Å; F225-F230 PolarHBondContact N-O 3.39Å; N227-F230 HydrophobicContact CB-CD2 4.14Å; N227-F230 PolarHBondContact O-N 3.46Å; P228-F230 PolarHBondContact O-N 2.64Å; F230-I368 HydrophobicContact CD1-CG2 4.3Å; F230-I369 WeakPolarHBondContact CA-O 3.23Å; F230-W370 HydrophobicContact CD1-CB 4.26Å; F230-W370 AromaticContact CD1-CD1 3.97Å; F230-W370 HydrophobicContact CD1-CG 4.48Å; F230-W370 HydrophobicContact CE1-CB 4.11Å; F230-W370 AromaticContact CE1-CD1 3.51Å; F230-W370 HydrophobicContact CE1-CG 4.02Å; F230-W370 AromaticContact CZ-CD1 3.55Å; F230-W370 HydrophobicContact CZ-CG 4.39Å; F230-W370 AromaticContact CZ-NE1 3.96Å
231T95.4Very high95.7Very high9 Ų934.5 Ų34.56%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-137.6134179.3-59.10000109.1K222 L233 I369K222-T231 HydrophobicContact CB-CG2 3.51Å; K222-T231 HydrophobicContact CD-CG2 4.21Å; K222-T231 HydrophobicContact CG-CG2 3.75Å; T231-L233 PolarHBondContact O-N 3.43Å; T231-I369 PolarHBondContact N-O 3.16Å; T231-I369 PolarHBondContact O-N 3Å
232L95.9Very high95.6Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-81.4114.3165.6179.867.8000108.5W175 K222 I223 F225 V234 L273 F326 I366 I368W175-L232 HydrophobicContact CH2-CB 3.97Å; W175-L232 HydrophobicContact CH2-CD2 3.55Å; W175-L232 HydrophobicContact CH2-CG 4.37Å; W175-L232 HydrophobicContact CZ2-CD2 4.45Å; W175-L232 HydrophobicContact CZ3-CB 3.84Å; W175-L232 HydrophobicContact CZ3-CD2 4.23Å; K222-L232 WeakPolarHBondContact CA-O 3.33Å; I223-L232 HydrophobicContact CB-CB 4.37Å; I223-L232 HydrophobicContact CD1-CD2 4.32Å; I223-L232 PolarHBondContact N-O 3.43Å; I223-L232 PolarHBondContact O-N 3.27Å; F225-L232 HydrophobicContact CE2-CB 3.97Å; F225-L232 HydrophobicContact CZ-CB 4.07Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 4Å; L232-L273 HydrophobicContact CD2-CD2 4.43Å; L232-F326 HydrophobicContact CD1-CE1 4.04Å; L232-F326 HydrophobicContact CD1-CZ 3.99Å; L232-F326 HydrophobicContact CD2-CZ 4.31Å; L232-I366 HydrophobicContact CD1-CB 4.22Å; L232-I368 HydrophobicContact CD1-CG1 4.19Å
233L97.8Very high95.6Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-85.7124.4166.1175.866.8000108.6A220 K222 T231 V235 I259 L260 F264 I366 S367 I369A220-L233 HydrophobicContact CB-CD1 4.02Å; K222-L233 HydrophobicContact CG-CD1 4.05Å; T231-L233 PolarHBondContact O-N 3.43Å; L233-V235 HydrophobicContact CD1-CG2 4.25Å; L233-V235 HydrophobicContact CD2-CG2 4.21Å; L233-V235 HydrophobicContact CG-CG2 4.02Å; L233-I259 HydrophobicContact CD1-CG2 4.31Å; L233-I259 HydrophobicContact CD2-CG2 3.91Å; L233-L260 HydrophobicContact CD2-CD2 4.03Å; L233-F264 HydrophobicContact CD1-CE1 4.18Å; L233-F264 HydrophobicContact CD1-CZ 3.81Å; L233-I366 CarbonylContact O-C 3.56Å; L233-I366 VanDerWaalsContact O-CA 3.31Å; L233-I366 WeakPolarHBondContact O-CA 3.37Å; L233-S367 PolarHBondContact N-O 2.99Å; L233-S367 PolarHBondContact O-N 2.88Å; L233-I369 HydrophobicContact CB-CG1 3.9Å; L233-I369 HydrophobicContact CD2-CD1 4.42Å; L233-I369 HydrophobicContact CD2-CG1 4.48Å
234V98.3Very high95.5Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-114.1126.1169.7177.30000108A220 V221 I223 L232 L273 F358 V360 F364 I366A220-V234 CarbonylContact C-O 3.55Å; A220-V234 WeakPolarHBondContact CA-O 3.48Å; V221-V234 HydrophobicContact CG1-CB 3.92Å; V221-V234 PolarHBondContact N-O 2.88Å; V221-V234 PolarHBondContact O-N 3.36Å; I223-V234 HydrophobicContact CD1-CG2 4.23Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 4Å; V234-L273 HydrophobicContact CG2-CD1 4.16Å; V234-F358 HydrophobicContact CG1-CE1 4.26Å; V234-V360 HydrophobicContact CG1-CG1 4.42Å; V234-V360 HydrophobicContact CG1-CG2 3.94Å; V234-F364 HydrophobicContact CG1-CB 4.49Å; V234-F364 HydrophobicContact CG1-CD2 3.78Å; V234-F364 HydrophobicContact CG1-CE2 4.41Å; V234-F364 HydrophobicContact CG1-CG 4.44Å; V234-I366 HydrophobicContact CG2-CG2 4.3Å
235V98.7Very high95.5Very high0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-115.6117.2174.3-173.60000108.2L213 A220 L233 L246 I259 F365L213-V235 HydrophobicContact CD1-CG1 3.86Å; A220-V235 HydrophobicContact CB-CG2 4.04Å; L233-V235 HydrophobicContact CD1-CG2 4.25Å; L233-V235 HydrophobicContact CD2-CG2 4.21Å; L233-V235 HydrophobicContact CG-CG2 4.02Å; V235-L246 HydrophobicContact CB-CD2 4.31Å; V235-L246 HydrophobicContact CG1-CD1 3.96Å; V235-L246 HydrophobicContact CG1-CD2 3.79Å; V235-I259 HydrophobicContact CG2-CD1 4.28Å; V235-I259 HydrophobicContact CG2-CG2 4.11Å; V235-F365 HydrophobicContact CB-CB 4.21Å; V235-F365 HydrophobicContact CB-CD1 4.08Å; V235-F365 HydrophobicContact CG2-CD1 3.83Å; V235-F365 PolarHBondContact N-O 2.85Å; V235-F365 PolarHBondContact O-N 3.05Å
236L98.6Very high95.7Very high0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-113.7120.7-173.1-174.469.4000109.1S218 R219 F358 R359 V360 H362 F364S218-L236 CarbonylContact C-O 3.45Å; S218-L236 VanDerWaalsContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CB-O 3.49Å; R219-L236 HydrophobicContact CG-CB 4.44Å; R219-L236 PolarHBondContact N-O 3.48Å; R219-L236 PolarHBondContact O-N 3.48Å; L236-F358 HydrophobicContact CB-CE1 3.95Å; L236-F358 HydrophobicContact CB-CZ 3.76Å; L236-F358 HydrophobicContact CD2-CD1 4.44Å; L236-F358 HydrophobicContact CD2-CE1 4.01Å; L236-F358 HydrophobicContact CD2-CZ 4.36Å; L236-R359 WeakPolarHBondContact CD2-O 3.48Å; L236-V360 HydrophobicContact CD1-CG1 4.2Å; L236-V360 HydrophobicContact CD2-CG2 4.43Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.47Å; L236-H362 VanDerWaalsContact CD1-NE2 3.3Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.35Å; L236-F364 HydrophobicContact CD1-CB 3.89Å
237P98.6Very high95.8Very high2 Ų233.8 Ų33.81%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-55.1153.5169.9-24.134.4000112.7S218 V239 L243 L246 H362 P363S218-P237 WeakPolarHBondContact OG-CA 3.19Å; P237-V239 WeakPolarHBondContact CB-O 3.37Å; P237-V239 PolarHBondContact O-N 2.86Å; P237-L243 HydrophobicContact CG-CB 4.37Å; P237-L246 HydrophobicContact CG-CB 4.29Å; P237-L246 HydrophobicContact CG-CD2 3.92Å; P237-H362 PolarHBondContact O-CE1 3.44Å; P237-H362 PolarHBondContact O-NE2 3.45Å; P237-P363 WeakPolarHBondContact CD-O 3.23Å
238D98Very high95.8Very high90 Ų9035.7 Ų35.748%0.48120%0.197SC..SBendtrans-76.1-16.2176.5-65.6-35.4000112.2K217 S218K217-D238 PolarHBondContact O-N 3.09Å; S218-D238 PolarHBondContact N-OD2 2.95Å
239V97.3Very high95.9Very high82 Ų8232.5 Ų32.550%0.49718%0.177SC..SBendtrans-124.6145.3178.4-60.20000111.2P237 N241 G242P237-V239 WeakPolarHBondContact CB-O 3.37Å; P237-V239 PolarHBondContact O-N 2.86Å; V239-N241 VanDerWaalsContact C-N 3.28Å; V239-N241 PolarHBondContact O-N 2.83Å; V239-N241 VanDerWaalsContact O-N 3.12Å; V239-G242 PolarHBondContact O-N 2.85Å
240N96.5Very high95.9Very high61 Ų6128 Ų2833%0.32616%0.157SC..THydrogen-bonded Turntrans-56.4-35.8-169.7-65.3-4.6000114.9Y190 H362Y190-N240 WeakPolarHBondContact CB-ND2 3.02Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.43Å; Y190-N240 WeakPolarHBondContact CD2-ND2 3.24Å; Y190-N240 HydrophobicContact CG-CB 4.47Å; N240-H362 HydrophobicContact CB-CB 4Å
241N94.4Very high95.6Very high102 Ų10232.3 Ų32.355%0.54517%0.174SC..THydrogen-bonded Turntrans-99.518-179.766.2-18.3000113.2V239 L243 P244V239-N241 VanDerWaalsContact C-N 3.28Å; V239-N241 PolarHBondContact O-N 2.83Å; V239-N241 VanDerWaalsContact O-N 3.12Å; N241-L243 PolarHBondContact O-N 2.79Å; N241-P244 WeakPolarHBondContact O-CD 2.97Å
242G96.8Very high95.3Very high5 Ų539.3 Ų39.35%0.05220%0.204CC..  trans-82.2-4.9-172.700000115.6V239 D245 L246V239-G242 PolarHBondContact O-N 2.85Å; G242-D245 PolarHBondContact O-N 3.2Å; G242-L246 PolarHBondContact O-N 2.83Å
243L96.4Very high95Very high0 Ų043.4 Ų43.40%022%0.223CC..Hα-helixtrans-57.7-44.5-177.5177.669.7000113.1L192 P237 N241 D245 L246 L247 P363 F365 H380 T382L192-L243 HydrophobicContact CD2-CB 4.18Å; P237-L243 HydrophobicContact CG-CB 4.37Å; N241-L243 PolarHBondContact O-N 2.79Å; L243-D245 VanDerWaalsContact C-N 3.33Å; L243-D245 PolarHBondContact O-N 3.49Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.27Å; L243-L246 PolarHBondContact O-N 3.35Å; L243-L247 HydrophobicContact CD1-CD1 3.87Å; L243-L247 HydrophobicContact CD1-CD2 4.18Å; L243-L247 HydrophobicContact CD1-CG 3.83Å; L243-L247 HydrophobicContact CD2-CD1 4.3Å; L243-L247 HydrophobicContact CG-CD1 3.79Å; L243-L247 HydrophobicContact CG-CG 4.14Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.19Å; L243-P363 HydrophobicContact CB-CB 3.78Å; L243-P363 HydrophobicContact CD2-CB 3.57Å; L243-P363 HydrophobicContact CG-CB 4.26Å; L243-F365 HydrophobicContact CD1-CB 4.49Å; L243-H380 HydrophobicContact CD1-CB 4.09Å; L243-H380 HydrophobicContact CD2-CB 4Å; L243-T382 HydrophobicContact CD2-CG2 4.06Å
244P94.2Very high94.5Very high27 Ų2745.5 Ų45.518%0.17525%0.245CC..Hα-helixtrans-58.1-43.5176.4-27.338.1000112.9W26 L192 N241 L247 N248W26-P244 HydrophobicContact CD2-CG 4.45Å; W26-P244 HydrophobicContact CH2-CB 4.39Å; W26-P244 HydrophobicContact CZ2-CB 3.6Å; W26-P244 HydrophobicContact CZ2-CG 4.04Å; L192-P244 HydrophobicContact CD2-CG 4.33Å; N241-P244 WeakPolarHBondContact O-CD 2.97Å; P244-L247 PolarHBondContact O-N 2.99Å; P244-N248 VanDerWaalsContact O-CB 3.3Å; P244-N248 WeakPolarHBondContact O-CB 3.25Å; P244-N248 VanDerWaalsContact O-CG 3.26Å; P244-N248 PolarHBondContact O-N 3.22Å; P244-N248 PolarHBondContact O-ND2 3.43Å
245D94.2Very high94.1Very high93 Ų9345.6 Ų45.650%0.49725%0.246SC..Hα-helixtrans-65.5-41178.2-79.5-2.5000111.5G242 L243 S249G242-D245 PolarHBondContact O-N 3.2Å; L243-D245 VanDerWaalsContact C-N 3.33Å; L243-D245 PolarHBondContact O-N 3.49Å; D245-S249 WeakPolarHBondContact O-CB 3.4Å; D245-S249 PolarHBondContact O-N 3.14Å; D245-S249 PolarHBondContact O-OG 3.01Å
246L96.2Very high93.9Very high2 Ų245.7 Ų45.71%0.0125%0.246CC..Hα-helixtrans-58.1-56.4173.5166.261000110.4L216 V235 P237 G242 L243 N248 S249 M250 F365L216-L246 HydrophobicContact CB-CD1 3.91Å; L216-L246 HydrophobicContact CD1-CD1 4Å; L216-L246 HydrophobicContact CG-CD1 4.37Å; V235-L246 HydrophobicContact CB-CD2 4.31Å; V235-L246 HydrophobicContact CG1-CD1 3.96Å; V235-L246 HydrophobicContact CG1-CD2 3.79Å; P237-L246 HydrophobicContact CG-CB 4.29Å; P237-L246 HydrophobicContact CG-CD2 3.92Å; G242-L246 PolarHBondContact O-N 2.83Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.27Å; L243-L246 PolarHBondContact O-N 3.35Å; L246-N248 PolarHBondContact O-N 3.09Å; L246-S249 CarbonylContact O-C 3.58Å; L246-S249 PolarHBondContact O-N 3.13Å; L246-M250 HydrophobicContact CD1-CG 3.77Å; L246-M250 HydrophobicContact CD1-SD 4.08Å; L246-M250 HydrophobicContact CG-CG 4.32Å; L246-M250 HydrophobicContact CG-SD 4.2Å; L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.84Å; L246-F365 HydrophobicContact CD2-CB 4.15Å
247L94.5Very high93.5Very high8 Ų847.6 Ų47.64%0.04226%0.26CS..Hα-helixtrans-61.8-42.7-175.6-65.5176.7000112.1Y15 I19 W26 L243 P244 S249 M250 F365 H380Y15-L247 HydrophobicContact CE1-CD2 3.93Å; Y15-L247 WeakPolarHBondContact OH-CD2 3.28Å; I19-L247 HydrophobicContact CD1-CD1 3.96Å; I19-L247 HydrophobicContact CG1-CB 4.35Å; I19-L247 HydrophobicContact CG2-CB 4.09Å; W26-L247 HydrophobicContact CE3-CD1 4.01Å; W26-L247 HydrophobicContact CH2-CB 4.4Å; W26-L247 HydrophobicContact CH2-CD1 4.06Å; W26-L247 HydrophobicContact CZ3-CB 4.49Å; W26-L247 HydrophobicContact CZ3-CD1 3.39Å; L243-L247 HydrophobicContact CD1-CD1 3.87Å; L243-L247 HydrophobicContact CD1-CD2 4.18Å; L243-L247 HydrophobicContact CD1-CG 3.83Å; L243-L247 HydrophobicContact CD2-CD1 4.3Å; L243-L247 HydrophobicContact CG-CD1 3.79Å; L243-L247 HydrophobicContact CG-CG 4.14Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.19Å; P244-L247 PolarHBondContact O-N 2.99Å; L247-S249 PolarHBondContact O-N 3.49Å; L247-M250 HydrophobicContact CD2-SD 4.04Å; L247-M250 PolarHBondContact O-N 3.14Å; L247-F365 HydrophobicContact CD2-CB 4.35Å; L247-F365 HydrophobicContact CD2-CD2 3.94Å; L247-H380 HydrophobicContact CD1-CB 4.16Å; L247-H380 HydrophobicContact CD2-CB 4.47Å
248N91.7Very high93.2Very high64 Ų6449.3 Ų49.334%0.34227%0.272SS..Hα-helixtrans-66.3-24.1175.3-74.4-35.4000113.5P244 L246 K252P244-N248 VanDerWaalsContact O-CB 3.3Å; P244-N248 WeakPolarHBondContact O-CB 3.25Å; P244-N248 VanDerWaalsContact O-CG 3.26Å; P244-N248 PolarHBondContact O-N 3.22Å; P244-N248 PolarHBondContact O-ND2 3.43Å; L246-N248 PolarHBondContact O-N 3.09Å; N248-K252 WeakPolarHBondContact O-CD 3.44Å; N248-K252 WeakPolarHBondContact O-CE 3.42Å
249S92.8Very high93.2Very high31 Ų3145 Ų4522%0.21725%0.249CC..Hα-helixtrans-91.8-27179.4-60.10000112.6D245 L246 L247 Y251 K252 H253D245-S249 WeakPolarHBondContact O-CB 3.4Å; D245-S249 PolarHBondContact O-N 3.14Å; D245-S249 PolarHBondContact O-OG 3.01Å; L246-S249 CarbonylContact O-C 3.58Å; L246-S249 PolarHBondContact O-N 3.13Å; L247-S249 PolarHBondContact O-N 3.49Å; S249-Y251 PolarHBondContact O-N 3.44Å; S249-K252 PolarHBondContact O-N 2.9Å; S249-H253 PolarHBondContact O-N 3.34Å; S249-H253 PolarHBondContact O-ND1 3.2Å
250M93Very high93Very high8 Ų842.1 Ų42.14%0.03923%0.23CC..Hα-helixtrans-55.1-55.1-176.7-82.1-178.961.400111.9L216 L246 L247 K252 H253 G255 I256 I259 F365L216-M250 HydrophobicContact CD1-CG 4.37Å; L246-M250 HydrophobicContact CD1-CG 3.77Å; L246-M250 HydrophobicContact CD1-SD 4.08Å; L246-M250 HydrophobicContact CG-CG 4.32Å; L246-M250 HydrophobicContact CG-SD 4.2Å; L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.84Å; L247-M250 HydrophobicContact CD2-SD 4.04Å; L247-M250 PolarHBondContact O-N 3.14Å; M250-K252 PolarHBondContact O-N 3.25Å; M250-H253 PolarHBondContact O-N 2.93Å; M250-G255 VanDerWaalsContact O-CA 3.3Å; M250-G255 WeakPolarHBondContact O-CA 3.48Å; M250-G255 PolarHBondContact O-N 3.19Å; M250-I256 HydrophobicContact CE-CG1 3.81Å; M250-I259 HydrophobicContact CE-CD1 3.7Å; M250-I259 HydrophobicContact CG-CD1 4.16Å; M250-I259 HydrophobicContact SD-CD1 4.25Å; M250-F365 HydrophobicContact CE-CD1 4.19Å; M250-F365 HydrophobicContact CE-CD2 4.08Å; M250-F365 HydrophobicContact CE-CE1 3.94Å; M250-F365 HydrophobicContact CE-CE2 3.84Å; M250-F365 HydrophobicContact CE-CG 4.26Å; M250-F365 HydrophobicContact CE-CZ 3.76Å; M250-F365 HydrophobicContact SD-CB 4.5Å; M250-F365 HydrophobicContact SD-CD1 4.38Å; M250-F365 HydrophobicContact SD-CD2 4.02Å; M250-F365 HydrophobicContact SD-CE2 4.37Å; M250-F365 HydrophobicContact SD-CG 4.03Å
251Y88.3Confident92.9Very high94 Ų9444.1 Ų44.137%0.36925%0.249SC..G310 helixtrans-61.1-44.4-179.9-177.3-98.9000112D12 R13 E16 S249 H253 G254D12-Y251 HydrophobicContact CB-CD2 4Å; D12-Y251 HydrophobicContact CB-CE2 4.2Å; D12-Y251 WeakPolarHBondContact O-CD2 3.34Å; R13-Y251 HydrophobicContact CB-CE2 4.25Å; E16-Y251 HydrophobicContact CB-CD1 4.45Å; E16-Y251 HydrophobicContact CB-CD2 3.88Å; E16-Y251 HydrophobicContact CB-CE2 4.44Å; E16-Y251 HydrophobicContact CB-CG 3.87Å; E16-Y251 VanDerWaalsContact CD-CG 3.41Å; E16-Y251 HydrophobicContact CG-CD1 4.04Å; E16-Y251 HydrophobicContact CG-CD2 4.36Å; E16-Y251 HydrophobicContact CG-CG 3.87Å; E16-Y251 WeakPolarHBondContact OE1-CD1 3.09Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.4Å; E16-Y251 VanDerWaalsContact OE2-CD1 3.24Å; E16-Y251 WeakPolarHBondContact OE2-CD1 3.35Å; E16-Y251 WeakPolarHBondContact OE2-CE1 3.27Å; E16-Y251 VanDerWaalsContact OE2-CZ 3.26Å; S249-Y251 PolarHBondContact O-N 3.44Å; Y251-H253 PolarHBondContact O-N 2.83Å; Y251-H253 VanDerWaalsContact O-N 3.16Å; Y251-G254 PolarHBondContact O-N 3.37Å
252K89.6Confident92.9Very high157 Ų15740.7 Ų40.768%0.68323%0.233SC*.G310 helixtrans-60.1-27.9179.9-63.4179-174.1171.80113.6N248 S249 M250N248-K252 WeakPolarHBondContact O-CD 3.44Å; N248-K252 WeakPolarHBondContact O-CE 3.42Å; S249-K252 PolarHBondContact O-N 2.9Å; M250-K252 PolarHBondContact O-N 3.25Å
253H89Confident92.8Very high85 Ų8545 Ų4539%0.39426%0.262SS..G310 helixtrans-105.126.7-177.9-62.589.7000113.1L216 S249 M250 Y251 S258L216-H253 HydrophobicContact CD2-CB 4.23Å; S249-H253 PolarHBondContact O-N 3.34Å; S249-H253 PolarHBondContact O-ND1 3.2Å; M250-H253 PolarHBondContact O-N 2.93Å; Y251-H253 PolarHBondContact O-N 2.83Å; Y251-H253 VanDerWaalsContact O-N 3.16Å; H253-S258 WeakPolarHBondContact O-CB 3.37Å; H253-S258 PolarHBondContact O-OG 3.13Å
254G87.8Confident92.8Very high44 Ų4446.7 Ų46.745%0.45427%0.27SS..THydrogen-bonded Turntrans91.21917300000114.9Y251 S258Y251-G254 PolarHBondContact O-N 3.37Å; G254-S258 PolarHBondContact O-N 3.13Å
255G90.3Very high92.9Very high3 Ų351.5 Ų51.53%0.03129%0.29CS..Hα-helixtrans66.6-156.3170.500000114.4D12 M250 S257 S258D12-G255 WeakPolarHBondContact OD1-CA 3.34Å; M250-G255 VanDerWaalsContact O-CA 3.3Å; M250-G255 WeakPolarHBondContact O-CA 3.48Å; M250-G255 PolarHBondContact O-N 3.19Å; G255-S257 PolarHBondContact O-N 3.47Å; G255-S258 PolarHBondContact O-N 2.81Å
256I92.8Very high93Very high1 Ų152.1 Ų52.11%0.00529%0.293CS..Hα-helixtrans-66-32.1-178-63.4167000111.1T11 D12 M250 S258 I259 L260 F365 I369 P375 L378T11-I256 HydrophobicContact CG2-CD1 4.27Å; D12-I256 PolarHBondContact OD1-N 2.94Å; M250-I256 HydrophobicContact CE-CG1 3.81Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 3.4Å; I256-I259 WeakPolarHBondContact O-CB 3.43Å; I256-I259 PolarHBondContact O-N 2.92Å; I256-I259 VanDerWaalsContact O-N 3.1Å; I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 3.98Å; I256-L260 WeakPolarHBondContact O-CG 3.49Å; I256-L260 PolarHBondContact O-N 3.4Å; I256-F365 HydrophobicContact CD1-CZ 3.86Å; I256-F365 HydrophobicContact CG1-CZ 4.06Å; I256-I369 HydrophobicContact CG2-CD1 4.25Å; I256-P375 HydrophobicContact CB-CG 4.04Å; I256-P375 HydrophobicContact CD1-CB 4.04Å; I256-P375 HydrophobicContact CD1-CG 3.82Å; I256-P375 HydrophobicContact CG2-CG 3.62Å; I256-L378 HydrophobicContact CD1-CB 4.21Å; I256-L378 HydrophobicContact CD1-CD2 3.36Å; I256-L378 HydrophobicContact CD1-CG 4.43Å
257S91.6Very high93Very high40 Ų4053.8 Ų53.828%0.2830%0.304SS..Hα-helixtrans-59.7-37.6179.3-60.70000113T8 G255 L260 S261T8-S257 WeakPolarHBondContact CG2-OG 3.43Å; G255-S257 PolarHBondContact O-N 3.47Å; S257-L260 PolarHBondContact O-N 2.89Å; S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.38Å; S257-S261 PolarHBondContact O-OG 3.17Å
258S92.7Very high93Very high39 Ų3956.8 Ų56.827%0.27332%0.316SS..Hα-helixtrans-63.3-41.8175.3-1780000112H253 G254 G255 I256 S261 S262H253-S258 WeakPolarHBondContact O-CB 3.37Å; H253-S258 PolarHBondContact O-OG 3.13Å; G254-S258 PolarHBondContact O-N 3.13Å; G255-S258 PolarHBondContact O-N 2.81Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 3.4Å; S258-S261 PolarHBondContact O-N 2.93Å; S258-S262 PolarHBondContact O-N 3.43Å; S258-S262 PolarHBondContact O-OG 3.23Å; S258-S262 VanDerWaalsContact O-OG 3.14Å
259I96.1Very high93.2Very high0 Ų053.7 Ų53.70%030%0.3CS..Hα-helixtrans-64.3-48.4174.8-62.7165.1000110.1L213 L216 L233 V235 M250 I256 S261 S262 F264L213-I259 HydrophobicContact CD1-CG1 4.28Å; L213-I259 HydrophobicContact CD1-CG2 3.95Å; L216-I259 HydrophobicContact CD1-CD1 3.9Å; L216-I259 HydrophobicContact CD1-CG1 3.75Å; L233-I259 HydrophobicContact CD1-CG2 4.31Å; L233-I259 HydrophobicContact CD2-CG2 3.91Å; V235-I259 HydrophobicContact CG2-CD1 4.28Å; V235-I259 HydrophobicContact CG2-CG2 4.11Å; M250-I259 HydrophobicContact CE-CD1 3.7Å; M250-I259 HydrophobicContact CG-CD1 4.16Å; M250-I259 HydrophobicContact SD-CD1 4.25Å; I256-I259 WeakPolarHBondContact O-CB 3.43Å; I256-I259 PolarHBondContact O-N 2.92Å; I256-I259 VanDerWaalsContact O-N 3.1Å; I259-S261 PolarHBondContact O-N 3.25Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 2.8Å; I259-S262 VanDerWaalsContact O-N 3.08Å; I259-S262 PolarHBondContact O-OG 2.64Å; I259-F264 HydrophobicContact CG2-CZ 4.47Å; I259-F264 VanDerWaalsContact O-CE2 3.28Å; I259-F264 WeakPolarHBondContact O-CE2 3.38Å
260L94.5Very high93.4Very high20 Ų2053.2 Ų53.211%0.10530%0.295CS..Hα-helixtrans-62.6-30.8-179.7-66.4176.2000113.3L233 I256 S257 S262 I369L233-L260 HydrophobicContact CD2-CD2 4.03Å; I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 3.98Å; I256-L260 WeakPolarHBondContact O-CG 3.49Å; I256-L260 PolarHBondContact O-N 3.4Å; S257-L260 PolarHBondContact O-N 2.89Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-I369 HydrophobicContact CD1-CD1 4.15Å; L260-I369 HydrophobicContact CD1-CG2 4.12Å; L260-I369 HydrophobicContact CD2-CD1 3.96Å; L260-I369 HydrophobicContact CD2-CG1 3.85Å; L260-I369 HydrophobicContact CD2-CG2 4.04Å
261S93.7Very high93.6Very high104 Ų10452.8 Ų52.873%0.72729%0.293SS*.THydrogen-bonded Turntrans-80.6-6.4178-55.40000113.6S257 S258 I259S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.38Å; S257-S261 PolarHBondContact O-OG 3.17Å; S258-S261 PolarHBondContact O-N 2.93Å; I259-S261 PolarHBondContact O-N 3.25Å
262S95.3Very high94Very high29 Ų2949.5 Ų49.520%0.20328%0.28CS..SBendtrans-67156.1176.9-64.70000111.6L213 S258 I259 L260 F264L213-S262 VanDerWaalsContact CD2-OG 3.27Å; L213-S262 WeakPolarHBondContact CD2-OG 3.39Å; S258-S262 PolarHBondContact O-N 3.43Å; S258-S262 PolarHBondContact O-OG 3.23Å; S258-S262 VanDerWaalsContact O-OG 3.14Å; I259-S262 WeakPolarHBondContact O-CB 3.42Å; I259-S262 PolarHBondContact O-N 2.8Å; I259-S262 VanDerWaalsContact O-N 3.08Å; I259-S262 PolarHBondContact O-OG 2.64Å; L260-S262 VanDerWaalsContact C-N 3.28Å; S262-F264 VanDerWaalsContact O-CD2 3.31Å; S262-F264 WeakPolarHBondContact O-CD2 3.32Å; S262-F264 PolarHBondContact O-N 3.38Å
263S94.3Very high94.4Very high95 Ų9542 Ų4266%0.66425%0.247SC*.  trans-7388.4179.9-173.30000111.1
264F96.9Very high94.7Very high37 Ų3738 Ų3816%0.16223%0.229CC..  trans-75.1121.4170.5-76.1-89.2000110.2N209 M210 A211 A220 K222 L233 I259 S262N209-F264 HydrophobicContact CB-CB 4.14Å; N209-F264 HydrophobicContact CB-CD1 4.3Å; M210-F264 WeakPolarHBondContact O-CA 3.46Å; A211-F264 HydrophobicContact CB-CD1 3.76Å; A211-F264 HydrophobicContact CB-CD2 4.22Å; A211-F264 HydrophobicContact CB-CE1 3.77Å; A211-F264 HydrophobicContact CB-CE2 4.23Å; A211-F264 HydrophobicContact CB-CG 3.99Å; A211-F264 HydrophobicContact CB-CZ 4.01Å; A220-F264 HydrophobicContact CB-CE1 3.91Å; A220-F264 HydrophobicContact CB-CZ 3.98Å; K222-F264 HydrophobicContact CB-CD1 4.48Å; K222-F264 HydrophobicContact CB-CE1 4.47Å; K222-F264 HydrophobicContact CD-CD1 4.07Å; K222-F264 HydrophobicContact CD-CD2 4.29Å; K222-F264 HydrophobicContact CD-CE1 4.1Å; K222-F264 HydrophobicContact CD-CE2 4.31Å; K222-F264 HydrophobicContact CD-CG 4.18Å; K222-F264 HydrophobicContact CD-CZ 4.23Å; K222-F264 HydrophobicContact CG-CD1 4.09Å; K222-F264 HydrophobicContact CG-CE1 3.8Å; K222-F264 HydrophobicContact CG-CZ 4.16Å; L233-F264 HydrophobicContact CD1-CE1 4.18Å; L233-F264 HydrophobicContact CD1-CZ 3.81Å; I259-F264 HydrophobicContact CG2-CZ 4.47Å; I259-F264 VanDerWaalsContact O-CE2 3.28Å; I259-F264 WeakPolarHBondContact O-CE2 3.38Å; S262-F264 VanDerWaalsContact O-CD2 3.31Å; S262-F264 WeakPolarHBondContact O-CD2 3.32Å; S262-F264 PolarHBondContact O-N 3.38Å
265Q96.6Very high94.8Very high128 Ų12839 Ų3960%0.59822%0.221SC*.EExtended strand (participates in β ladder)trans-107.5133.8177.6-64.2-172-22.300110.4M210 T267M210-Q265 PolarHBondContact N-O 3.12Å; M210-Q265 PolarHBondContact O-N 2.89Å; Q265-T267 PolarHBondContact O-N 3.05Å; Q265-T267 PolarHBondContact O-OG1 2.81Å
266N95.8Very high94.8Very high105 Ų10539 Ų3956%0.56122%0.22SC*.EExtended strand (participates in β ladder)trans-68.5101.5174.8-170.638.4000110Y207 N209Y207-N266 WeakPolarHBondContact CB-OD1 3.32Å; N209-N266 WeakPolarHBondContact OD1-CA 3.4Å
267T94.8Very high94.3Very high38 Ų3843 Ų4323%0.23324%0.237CC..EExtended strand (participates in β ladder)trans-120.7133.4-166.3-55.10000109.9Y207 F208 Q265 L269 P356Y207-T267 WeakPolarHBondContact CA-O 3.41Å; F208-T267 PolarHBondContact N-O 3.07Å; F208-T267 PolarHBondContact O-N 2.91Å; Q265-T267 PolarHBondContact O-N 3.05Å; Q265-T267 PolarHBondContact O-OG1 2.81Å; T267-L269 HydrophobicContact CG2-CD2 3.99Å; T267-L269 HydrophobicContact CG2-CG 3.99Å; T267-L269 PolarHBondContact O-N 3.19Å; T267-P356 HydrophobicContact CG2-CG 4.43Å
268K95.8Very high93.8Very high70 Ų7041.5 Ų41.530%0.30423%0.226SC..EExtended strand (participates in β ladder)trans-69120.3170.3-165-178.9-177.1-161.50108.8E205 S206 Y207 V355E205-K268 WeakPolarHBondContact OE1-CE 3.33Å; E205-K268 IonicContact OE1-NZ 2.67Å; E205-K268 PolarHBondContact OE1-NZ 3.21Å; S206-K268 CarbonylContact O-C 3.58Å; S206-K268 WeakPolarHBondContact O-CA 3.41Å; Y207-K268 HydrophobicContact CD1-CB 4.15Å; Y207-K268 HydrophobicContact CD2-CG 4.44Å; Y207-K268 HydrophobicContact CE1-CB 3.81Å; Y207-K268 HydrophobicContact CE2-CB 4.19Å; Y207-K268 HydrophobicContact CE2-CD 4.27Å; Y207-K268 HydrophobicContact CE2-CG 4.11Å; Y207-K268 HydrophobicContact CG-CB 4.49Å; K268-V355 HydrophobicContact CD-CG2 4.16Å; K268-V355 HydrophobicContact CG-CG1 4.14Å; K268-V355 WeakPolarHBondContact O-CG1 3.44Å
269L95Very high92.5Very high0 Ų042.8 Ų42.80%023%0.225CC..EExtended strand (participates in β ladder)trans-136.5146-172.8-69.1168.1000111.5E205 S206 F208 M210 V221 T267 L271 P356E205-L269 WeakPolarHBondContact CA-O 3.33Å; S206-L269 PolarHBondContact N-O 3.4Å; S206-L269 VanDerWaalsContact N-O 3.12Å; S206-L269 PolarHBondContact O-N 3.39Å; F208-L269 HydrophobicContact CB-CD1 4.27Å; F208-L269 HydrophobicContact CD2-CB 4.41Å; M210-L269 HydrophobicContact CB-CD1 3.73Å; M210-L269 HydrophobicContact CG-CD1 4.18Å; M210-L269 HydrophobicContact SD-CD1 3.79Å; M210-L269 HydrophobicContact SD-CD2 3.69Å; M210-L269 HydrophobicContact SD-CG 4.39Å; V221-L269 HydrophobicContact CG2-CD1 4.48Å; T267-L269 HydrophobicContact CG2-CD2 3.99Å; T267-L269 HydrophobicContact CG2-CG 3.99Å; T267-L269 PolarHBondContact O-N 3.19Å; L269-L271 PolarHBondContact O-N 3.08Å; L269-P356 WeakPolarHBondContact CA-O 3.05Å; L269-P356 HydrophobicContact CD2-CB 3.95Å; L269-P356 HydrophobicContact CD2-CG 3.76Å
270N96.8Very high90.5Very high20 Ų2049.3 Ų49.311%0.10726%0.255CS..EExtended strand (participates in β ladder)trans-84.397.3156.6-80.1-59000108H203 Y272 P356 E357 F358H203-N270 PolarHBondContact NE2-OD1 3.24Å; N270-Y272 HydrophobicContact CB-CE2 3.78Å; N270-P356 PolarHBondContact N-O 3.15Å; N270-E357 HydrophobicContact CB-CG 4.1Å; N270-E357 WeakPolarHBondContact O-CA 3.47Å; N270-F358 PolarHBondContact O-N 3.42Å
271L97.5Very high88.9Confident0 Ų050.3 Ų50.30%027%0.27CS..EExtended strand (participates in β ladder)trans-89.2123179177.261.9000109.5F179 H203 N204 F208 V221 I223 L269 F358F179-L271 HydrophobicContact CE1-CD2 4.11Å; F179-L271 HydrophobicContact CE1-CG 4.16Å; F179-L271 HydrophobicContact CZ-CD2 3.87Å; F179-L271 HydrophobicContact CZ-CG 4.34Å; H203-L271 WeakPolarHBondContact CA-O 3.21Å; N204-L271 PolarHBondContact N-O 2.98Å; N204-L271 PolarHBondContact O-N 3.12Å; F208-L271 HydrophobicContact CD1-CD2 4.21Å; F208-L271 HydrophobicContact CD2-CB 4.09Å; F208-L271 HydrophobicContact CD2-CD2 4.09Å; F208-L271 HydrophobicContact CE1-CD2 3.94Å; F208-L271 HydrophobicContact CE2-CB 3.75Å; F208-L271 HydrophobicContact CE2-CD2 3.8Å; F208-L271 HydrophobicContact CE2-CG 4.45Å; F208-L271 HydrophobicContact CG-CD2 4.28Å; F208-L271 HydrophobicContact CZ-CB 4.41Å; F208-L271 HydrophobicContact CZ-CD2 3.72Å; V221-L271 HydrophobicContact CG1-CD1 4.08Å; I223-L271 HydrophobicContact CD1-CD2 3.73Å; I223-L271 HydrophobicContact CG1-CD2 3.87Å; L269-L271 PolarHBondContact O-N 3.08Å; L271-F358 HydrophobicContact CD1-CB 4.14Å; L271-F358 HydrophobicContact CD1-CD1 3.86Å; L271-F358 HydrophobicContact CD1-CG 4.3Å
272Y97.9Very high87.7Confident24 Ų2456 Ų569%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-116.1121.8171.2-56.6-95.7000110.1H185 L201 M202 H203 N270 E357 F358 R359 V360H185-Y272 AromaticContact CE1-CD1 3.92Å; H185-Y272 AromaticContact CE1-CE1 3.79Å; L201-Y272 HydrophobicContact CD2-CD1 3.93Å; L201-Y272 HydrophobicContact CD2-CG 4.14Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; M202-Y272 CarbonylContact O-C 3.58Å; M202-Y272 WeakPolarHBondContact O-CA 3.43Å; H203-Y272 HydrophobicContact CB-CD1 3.65Å; H203-Y272 HydrophobicContact CB-CE1 3.63Å; H203-Y272 AromaticContact CD2-CD1 3.78Å; H203-Y272 AromaticContact CD2-CE1 3.3Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.44Å; H203-Y272 AromaticContact CD2-CE2 3.92Å; H203-Y272 AromaticContact CD2-CZ 3.36Å; H203-Y272 AromaticContact CG-CD1 3.92Å; H203-Y272 AromaticContact CG-CE1 3.44Å; H203-Y272 VanDerWaalsContact CG-CE1 3.44Å; H203-Y272 AromaticContact CG-CZ 3.95Å; H203-Y272 AromaticContact NE2-CZ 3.75Å; N270-Y272 HydrophobicContact CB-CE2 3.78Å; Y272-E357 HydrophobicContact CE2-CB 4.46Å; Y272-E357 HydrophobicContact CE2-CG 4.18Å; Y272-F358 PolarHBondContact N-O 3.36Å; Y272-R359 HydrophobicContact CD2-CB 4.1Å; Y272-R359 HydrophobicContact CD2-CG 4.31Å; Y272-R359 VanDerWaalsContact CE2-NH2 3.27Å; Y272-R359 HydrophobicContact CG-CG 4.33Å; Y272-R359 VanDerWaalsContact CZ-NH2 3.3Å; Y272-V360 WeakPolarHBondContact O-CB 3.26Å; Y272-V360 WeakPolarHBondContact O-CG2 3.24Å; Y272-V360 PolarHBondContact O-N 2.98Å
273L96.6Very high87.2Confident0 Ų055.7 Ų55.70%028%0.275CS..EExtended strand (participates in β ladder)trans-131.2128.8-176.8-173.572.6000109.7F179 M202 I223 L232 V234 V328 V360F179-L273 HydrophobicContact CE1-CB 4.27Å; F179-L273 HydrophobicContact CE2-CD2 4.44Å; F179-L273 HydrophobicContact CZ-CB 4.09Å; F179-L273 HydrophobicContact CZ-CD2 4.18Å; M202-L273 WeakPolarHBondContact CB-O 3.26Å; M202-L273 HydrophobicContact CE-CB 4.09Å; M202-L273 HydrophobicContact CE-CD2 3.95Å; M202-L273 HydrophobicContact CE-CG 4.14Å; M202-L273 WeakPolarHBondContact CE-O 3.46Å; M202-L273 PolarHBondContact N-O 2.95Å; M202-L273 PolarHBondContact O-N 2.93Å; I223-L273 HydrophobicContact CD1-CD2 3.96Å; L232-L273 HydrophobicContact CD2-CD2 4.43Å; V234-L273 HydrophobicContact CG2-CD1 4.16Å; L273-V328 HydrophobicContact CD2-CG1 3.72Å; L273-V328 HydrophobicContact CG-CG1 4.32Å; L273-V360 HydrophobicContact CD1-CB 4.22Å; L273-V360 HydrophobicContact CD1-CG1 4.28Å; L273-V360 HydrophobicContact CD1-CG2 4.01Å
274P95.4Very high86.9Confident0 Ų053.7 Ų53.70%026%0.257CS..EExtended strand (participates in β ladder)trans-70.6149.3179.228-32.1000109.9F189 V199 E200 L201 F276 V360 F364 P384F189-P274 HydrophobicContact CE2-CG 4.39Å; V199-P274 HydrophobicContact CG2-CB 4.24Å; E200-P274 WeakPolarHBondContact O-CA 3.48Å; L201-P274 HydrophobicContact CD1-CB 4.33Å; P274-F276 HydrophobicContact CG-CD1 4.32Å; P274-F276 VanDerWaalsContact O-CD1 3.25Å; P274-F276 WeakPolarHBondContact O-CD1 3.5Å; P274-V360 VanDerWaalsContact CD-O 3.29Å; P274-V360 WeakPolarHBondContact CD-O 3.47Å; P274-V360 HydrophobicContact CG-CG1 4.31Å; P274-F364 HydrophobicContact CG-CE1 3.99Å; P274-F364 HydrophobicContact CG-CZ 4.05Å; P274-P384 HydrophobicContact CB-CB 4.17Å; P274-P384 HydrophobicContact CB-CG 4Å; P274-P384 HydrophobicContact CG-CG 4.04Å
275K91.6Very high86.7Confident65 Ų6556.1 Ų56.128%0.28327%0.267SS..  trans-70.8136.2162-59.7-175.5-165.4-168.50108.7E200 M202 V328 E330E200-K275 HydrophobicContact CB-CD 3.96Å; E200-K275 HydrophobicContact CB-CG 4.23Å; E200-K275 PolarHBondContact O-N 3.12Å; M202-K275 HydrophobicContact CG-CD 4.47Å; M202-K275 HydrophobicContact CG-CG 3.68Å; M202-K275 HydrophobicContact SD-CG 3.75Å; K275-V328 WeakPolarHBondContact CA-O 3.33Å; K275-E330 WeakPolarHBondContact CE-OE1 3.45Å; K275-E330 WeakPolarHBondContact CE-OE2 3.34Å; K275-E330 IonicContact NZ-OE1 3.22Å; K275-E330 PolarHBondContact NZ-OE1 3.19Å; K275-E330 IonicContact NZ-OE2 2.7Å; K275-E330 PolarHBondContact NZ-OE2 3.17Å
276F89Confident86.6Confident5 Ų550 Ų502%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-154.9156.8174.660.5-92000111.1P274 L278 F326 V328 F364 I366 V381 P384P274-F276 HydrophobicContact CG-CD1 4.32Å; P274-F276 VanDerWaalsContact O-CD1 3.25Å; P274-F276 WeakPolarHBondContact O-CD1 3.5Å; F276-L278 HydrophobicContact CD2-CD1 4.14Å; F276-L278 HydrophobicContact CD2-CD2 4.33Å; F276-L278 HydrophobicContact CD2-CG 3.88Å; F276-L278 HydrophobicContact CE2-CD1 3.89Å; F276-L278 HydrophobicContact CE2-CG 4.12Å; F276-F326 AromaticContact CE2-CD1 3.93Å; F276-F326 HydrophobicContact CE2-CD1 3.93Å; F276-F326 AromaticContact CE2-CE1 3.96Å; F276-F326 HydrophobicContact CE2-CE1 3.96Å; F276-F326 HydrophobicContact CZ-CD1 4.44Å; F276-F326 HydrophobicContact CZ-CE1 4.01Å; F276-V328 HydrophobicContact CD1-CB 4.04Å; F276-V328 HydrophobicContact CD1-CG1 4.34Å; F276-V328 HydrophobicContact CD1-CG2 4.44Å; F276-V328 HydrophobicContact CD2-CG2 4.49Å; F276-V328 HydrophobicContact CE1-CB 3.78Å; F276-V328 HydrophobicContact CE1-CG1 4Å; F276-V328 HydrophobicContact CE1-CG2 3.76Å; F276-V328 HydrophobicContact CE2-CB 4.3Å; F276-V328 HydrophobicContact CE2-CG2 3.84Å; F276-V328 HydrophobicContact CG-CB 4.4Å; F276-V328 HydrophobicContact CZ-CB 3.94Å; F276-V328 HydrophobicContact CZ-CG2 3.43Å; F276-V328 VanDerWaalsContact CZ-CG2 3.43Å; F276-V328 PolarHBondContact N-O 2.95Å; F276-V328 PolarHBondContact O-N 3.41Å; F276-F364 HydrophobicContact CD1-CZ 4.09Å; F276-F364 HydrophobicContact CE1-CE2 4.05Å; F276-F364 AromaticContact CE1-CZ 3.69Å; F276-F364 HydrophobicContact CE1-CZ 3.69Å; F276-F364 HydrophobicContact CZ-CE2 4.25Å; F276-F364 HydrophobicContact CZ-CZ 4.23Å; F276-I366 HydrophobicContact CE2-CD1 3.93Å; F276-I366 HydrophobicContact CZ-CD1 4.06Å; F276-V381 HydrophobicContact CD2-CG2 4.23Å; F276-V381 HydrophobicContact CE2-CG2 4.06Å; F276-V381 HydrophobicContact CZ-CG2 4.32Å; F276-P384 HydrophobicContact CB-CB 4.04Å
277K83.4Confident86.6Confident83 Ų8347.6 Ų47.636%0.36122%0.223SC..EExtended strand (participates in β ladder)trans-130.5122.7174.3-52.4-166.7-169.1-153.80108.7R279 E327 H387K277-R279 HydrophobicContact CB-CG 4.25Å; K277-E327 HydrophobicContact CD-CG 4.17Å; K277-E327 WeakPolarHBondContact CD-OE1 3.41Å; K277-E327 WeakPolarHBondContact CE-OE1 3.45Å; K277-E327 HydrophobicContact CG-CB 4.34Å; K277-E327 HydrophobicContact CG-CG 3.88Å; K277-E327 IonicContact NZ-OE1 3.38Å; K277-E327 PolarHBondContact NZ-OE1 2.82Å; K277-E327 IonicContact NZ-OE2 3.74Å; K277-H387 PolarHBondContact O-ND1 3.25Å
278L80.7Confident86.6Confident9 Ų950.7 Ų50.75%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-103.578.9173.2-55.6177.4000106.3N28 F30 F276 I325 F326 I366 V381N28-L278 HydrophobicContact CB-CD2 3.85Å; F30-L278 HydrophobicContact CB-CB 3.98Å; F30-L278 HydrophobicContact CB-CD1 3.68Å; F30-L278 HydrophobicContact CB-CG 4.4Å; F30-L278 HydrophobicContact CD2-CD1 3.81Å; F30-L278 HydrophobicContact CG-CB 4.34Å; F30-L278 HydrophobicContact CG-CD1 3.83Å; F276-L278 HydrophobicContact CD2-CD1 4.14Å; F276-L278 HydrophobicContact CD2-CD2 4.33Å; F276-L278 HydrophobicContact CD2-CG 3.88Å; F276-L278 HydrophobicContact CE2-CD1 3.89Å; F276-L278 HydrophobicContact CE2-CG 4.12Å; L278-I325 WeakPolarHBondContact O-CA 3.18Å; L278-F326 PolarHBondContact N-O 3.19Å; L278-F326 PolarHBondContact O-N 3.48Å; L278-F326 VanDerWaalsContact O-N 3.15Å; L278-I366 HydrophobicContact CD1-CD1 3.68Å; L278-V381 HydrophobicContact CD1-CG2 4.08Å; L278-V381 HydrophobicContact CD2-CG2 4.39Å
279R65.2Low86.6Confident66 Ų6648.7 Ų48.725%0.24923%0.23CC..  trans-118.8-41.1-171.7-81.7177.2175.8-119.9-4112.4K277 K323 I325 E327 H387K277-R279 HydrophobicContact CB-CG 4.25Å; R279-K323 WeakPolarHBondContact O-CE 3.48Å; R279-I325 HydrophobicContact CG-CD1 4.38Å; R279-I325 HydrophobicContact CG-CG2 3.6Å; R279-E327 IonicContact CZ-OE2 2.72Å; R279-E327 IonicContact NE-OE2 2.78Å; R279-E327 PolarHBondContact NE-OE2 3.36Å; R279-E327 IonicContact NH2-OE2 2.84Å; R279-E327 PolarHBondContact NH2-OE2 3.48Å; R279-H387 PolarHBondContact N-OXT 2.7Å
280E53.8Low86.7Confident137 Ų13748.7 Ų48.764%0.6423%0.23SC*.  trans-102.90.2-159.5-60.8-169.7169.900114.1R282 H387E280-R282 PolarHBondContact O-N 3.03Å; E280-H387 WeakPolarHBondContact CA-OXT 3.46Å; E280-H387 HydrophobicContact CB-CB 3.83Å; E280-H387 HydrophobicContact CG-CB 3.93Å; E280-H387 PolarHBondContact N-OXT 3.4Å
281G60.5Low86.8Confident41 Ų4153.4 Ų53.442%0.42325%0.247SC..SBendtrans-45.8136.4164.100000112.4A283 K323 H387G281-A283 PolarHBondContact O-N 3.38Å; G281-K323 WeakPolarHBondContact O-CE 3.23Å; G281-K323 PolarHBondContact O-NZ 3.23Å; G281-K323 VanDerWaalsContact O-NZ 3.14Å; G281-H387 PolarHBondContact N-OXT 3.36Å
282R69.2Low86.7Confident224 Ų22459.3 Ų59.385%0.84527%0.272SS*.PPolyproline II helixtrans-56.4139.9172.5-68.617772.5167.83.1108.6E280 L284E280-R282 PolarHBondContact O-N 3.03Å; R282-L284 PolarHBondContact O-N 2.84Å
283A84.3Confident86.6Confident23 Ų2358.5 Ų58.519%0.1927%0.269CS..PPolyproline II helixtrans-55.2135.3171.600000110L151 G281 K285 M321 K323L151-A283 HydrophobicContact CD1-CB 3.83Å; L151-A283 WeakPolarHBondContact O-CB 3.44Å; G281-A283 PolarHBondContact O-N 3.38Å; A283-K285 PolarHBondContact O-N 3.01Å; A283-M321 HydrophobicContact CB-CE 4.1Å; A283-K323 HydrophobicContact CB-CB 4.38Å; A283-K323 HydrophobicContact CB-CD 4.25Å
284L89.1Confident86.6Confident53 Ų5359.9 Ų59.928%0.27728%0.283SS..EExtended strand (participates in β ladder)trans-78.8120.1180-62.8-179.8000109.5L31 R282 L286 H322L31-L284 HydrophobicContact CB-CD1 4.26Å; L31-L284 HydrophobicContact CD2-CD1 3.97Å; R282-L284 PolarHBondContact O-N 2.84Å; L284-L286 HydrophobicContact CB-CD2 3.66Å; L284-L286 HydrophobicContact CB-CG 4.47Å; L284-L286 HydrophobicContact CD1-CD2 4.41Å; L284-H322 HydrophobicContact CB-CB 4.45Å; L284-H322 PolarHBondContact N-O 3.1Å; L284-H322 PolarHBondContact O-N 3.18Å
285K92Very high86.7Confident87 Ų8759.9 Ų59.938%0.37828%0.284SS..EExtended strand (participates in β ladder)trans-81.7107.1165-70.5-166.8177.7-170.90108.6S156 A283 H289 D319 M321S156-K285 VanDerWaalsContact CB-NZ 3.33Å; S156-K285 VanDerWaalsContact OG-CE 3.23Å; S156-K285 WeakPolarHBondContact OG-CE 3.47Å; S156-K285 PolarHBondContact OG-NZ 3.32Å; A283-K285 PolarHBondContact O-N 3.01Å; K285-H289 PolarHBondContact O-ND1 3.46Å; K285-H289 VanDerWaalsContact O-ND1 3.08Å; K285-D319 WeakPolarHBondContact CB-OD2 3.44Å; K285-D319 WeakPolarHBondContact CD-OD2 3.21Å; K285-M321 HydrophobicContact CG-CE 3.83Å; K285-M321 HydrophobicContact CG-SD 3.73Å
286L95Very high87.1Confident0 Ų059.6 Ų59.60%029%0.285CS..  trans-87.4-11.2-170-58.4-173.4000113.4F14 I36 L284 N288 H289 L290 D319 V320 H322F14-L286 HydrophobicContact CZ-CD1 4.44Å; F14-L286 HydrophobicContact CZ-CD2 3.93Å; I36-L286 HydrophobicContact CB-CD1 4.38Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.78Å; I36-L286 HydrophobicContact CG2-CD1 3.7Å; L284-L286 HydrophobicContact CB-CD2 3.66Å; L284-L286 HydrophobicContact CB-CG 4.47Å; L284-L286 HydrophobicContact CD1-CD2 4.41Å; L286-N288 VanDerWaalsContact C-N 3.34Å; L286-N288 PolarHBondContact O-N 3.39Å; L286-H289 WeakPolarHBondContact O-CB 3.39Å; L286-H289 PolarHBondContact O-N 3.5Å; L286-L290 HydrophobicContact CB-CD1 3.67Å; L286-L290 HydrophobicContact CB-CG 3.95Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.32Å; L286-D319 PolarHBondContact N-OD1 2.87Å; L286-V320 HydrophobicContact CB-CB 4.14Å; L286-V320 VanDerWaalsContact CB-O 3.31Å; L286-V320 WeakPolarHBondContact CB-O 3.3Å; L286-V320 HydrophobicContact CD1-CG1 4.14Å; L286-V320 WeakPolarHBondContact CG-O 3.29Å; L286-V320 PolarHBondContact N-O 2.88Å; L286-H322 HydrophobicContact CD1-CB 3.79Å; L286-H322 HydrophobicContact CG-CB 4.19Å
287K95.7Very high87.5Confident55 Ų5560.7 Ų60.724%0.23929%0.291CS..Hα-helixtrans-45.2-52.9179.9171.6165.71781650113.7L290 R291 F299 S318 D319K287-L290 PolarHBondContact O-N 2.79Å; K287-R291 WeakPolarHBondContact O-CB 3.12Å; K287-R291 VanDerWaalsContact O-CG 3.29Å; K287-R291 WeakPolarHBondContact O-CG 3.42Å; K287-R291 PolarHBondContact O-N 2.78Å; K287-F299 HydrophobicContact CB-CD1 3.96Å; K287-F299 HydrophobicContact CB-CE1 3.93Å; K287-F299 HydrophobicContact CB-CZ 4.48Å; K287-F299 HydrophobicContact CD-CB 4.2Å; K287-F299 HydrophobicContact CD-CD1 3.87Å; K287-F299 HydrophobicContact CD-CG 4.22Å; K287-F299 HydrophobicContact CG-CB 4.24Å; K287-F299 HydrophobicContact CG-CD1 3.68Å; K287-F299 HydrophobicContact CG-CD2 4.46Å; K287-F299 HydrophobicContact CG-CE1 4.16Å; K287-F299 HydrophobicContact CG-CG 3.88Å; K287-S318 VanDerWaalsContact CD-O 3.26Å; K287-S318 WeakPolarHBondContact CD-O 3.49Å; K287-D319 VanDerWaalsContact CB-OD1 3.27Å; K287-D319 WeakPolarHBondContact CB-OD1 3.26Å; K287-D319 PolarHBondContact N-OD1 3.23Å
288N95.3Very high88.2Confident103 Ų10356.8 Ų56.855%0.55127%0.274SS*.Hα-helixtrans-67.3-40.4-177.7-71-18.1000112.5L286 R291 K292L286-N288 VanDerWaalsContact C-N 3.34Å; L286-N288 PolarHBondContact O-N 3.39Å; N288-R291 PolarHBondContact O-N 3.13Å; N288-K292 PolarHBondContact O-N 3.45Å
289H94.8Very high89Confident27 Ų2756.8 Ų56.813%0.12527%0.274CS..Hα-helixtrans-62.7-45176.5-56.292.3000111.2F14 L17 I18 E21 K285 L286 K292 L293F14-H289 HydrophobicContact CE2-CB 4.04Å; L17-H289 WeakPolarHBondContact CD1-O 3.17Å; L17-H289 HydrophobicContact CD2-CB 3.85Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.34Å; E21-H289 VanDerWaalsContact CD-CD2 3.46Å; E21-H289 IonicContact OE1-CD2 2.72Å; E21-H289 IonicContact OE2-CD2 3.77Å; E21-H289 PolarHBondContact OE2-CD2 3.49Å; E21-H289 VanDerWaalsContact OE2-CD2 3.24Å; E21-H289 IonicContact OE2-CE1 2.57Å; E21-H289 IonicContact OE2-NE2 2.64Å; E21-H289 PolarHBondContact OE2-NE2 2.87Å; E21-H289 VanDerWaalsContact OE2-NE2 3.15Å; K285-H289 PolarHBondContact O-ND1 3.46Å; K285-H289 VanDerWaalsContact O-ND1 3.08Å; L286-H289 WeakPolarHBondContact O-CB 3.39Å; L286-H289 PolarHBondContact O-N 3.5Å; H289-K292 WeakPolarHBondContact O-CB 3.33Å; H289-K292 PolarHBondContact O-N 3.11Å; H289-L293 PolarHBondContact O-N 2.95Å; H289-L293 VanDerWaalsContact O-N 3.15Å
290L97.2Very high90.5Very high0 Ų055.6 Ų55.60%028%0.275CS..Hα-helixtrans-69.7-34.6-179.4-65.8172.2000112.1L40 L286 K287 K292 L293 G294 I295 F299 V320L40-L290 HydrophobicContact CD1-CD2 3.88Å; L40-L290 HydrophobicContact CD2-CD1 3.81Å; L40-L290 HydrophobicContact CD2-CD2 3.96Å; L40-L290 HydrophobicContact CG-CD2 4.47Å; L286-L290 HydrophobicContact CB-CD1 3.67Å; L286-L290 HydrophobicContact CB-CG 3.95Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.32Å; K287-L290 PolarHBondContact O-N 2.79Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.38Å; L290-L293 HydrophobicContact CD2-CD1 4.38Å; L290-L293 CarbonylContact O-C 3.26Å; L290-L293 WeakPolarHBondContact O-CA 3.46Å; L290-L293 WeakPolarHBondContact O-CB 3.47Å; L290-L293 PolarHBondContact O-N 3.2Å; L290-L293 VanDerWaalsContact O-N 3.09Å; L290-G294 PolarHBondContact O-N 3.43Å; L290-I295 HydrophobicContact CB-CB 4.44Å; L290-I295 HydrophobicContact CB-CD1 4.17Å; L290-I295 HydrophobicContact CD2-CD1 4.13Å; L290-I295 WeakPolarHBondContact O-CB 3.37Å; L290-I295 PolarHBondContact O-N 3.08Å; L290-F299 HydrophobicContact CB-CE2 3.72Å; L290-F299 HydrophobicContact CB-CZ 3.89Å; L290-F299 HydrophobicContact CD1-CE2 4.34Å; L290-F299 HydrophobicContact CD1-CZ 3.67Å; L290-F299 HydrophobicContact CG-CZ 4.44Å; L290-V320 HydrophobicContact CD1-CB 4.02Å; L290-V320 HydrophobicContact CD1-CG2 3.85Å
291R97.7Very high92.4Very high120 Ų12052.6 Ų52.645%0.45327%0.268SS..Hα-helixtrans-61-40170.1-75.3-176.672.8-171.95.7112.7K287 N288 L293 G294 I295 N296 F299K287-R291 WeakPolarHBondContact O-CB 3.12Å; K287-R291 VanDerWaalsContact O-CG 3.29Å; K287-R291 WeakPolarHBondContact O-CG 3.42Å; K287-R291 PolarHBondContact O-N 2.78Å; N288-R291 PolarHBondContact O-N 3.13Å; R291-L293 PolarHBondContact O-N 3.13Å; R291-G294 WeakPolarHBondContact O-CA 3.28Å; R291-G294 PolarHBondContact O-N 3.42Å; R291-I295 VanDerWaalsContact CA-O 3.25Å; R291-I295 WeakPolarHBondContact CA-O 3.08Å; R291-I295 VanDerWaalsContact CG-O 3.26Å; R291-I295 WeakPolarHBondContact CG-O 3.31Å; R291-N296 PolarHBondContact NE-OD1 3.14Å; R291-F299 HydrophobicContact CG-CD2 3.95Å
292K96.5Very high94.1Very high124 Ų12457.8 Ų57.854%0.53929%0.285SS..Hα-helixtrans-68-23.9174-74.5173.4-178.1176.60113L17 E21 N288 H289 L290 G294L17-K292 HydrophobicContact CD1-CB 3.7Å; E21-K292 WeakPolarHBondContact OE1-CD 3.31Å; E21-K292 WeakPolarHBondContact OE1-CE 3.4Å; E21-K292 IonicContact OE1-NZ 3.62Å; E21-K292 PolarHBondContact OE1-NZ 3.05Å; E21-K292 IonicContact OE2-NZ 3.82Å; N288-K292 PolarHBondContact O-N 3.45Å; H289-K292 WeakPolarHBondContact O-CB 3.33Å; H289-K292 PolarHBondContact O-N 3.11Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 3.38Å; K292-G294 PolarHBondContact O-N 3.48Å
293L95.9Very high95.4Very high6 Ų649.8 Ų49.83%0.03126%0.263CS..THydrogen-bonded Turntrans-77.6-5.3167.3-68.5-173.8000114F10 R13 F14 L17 A58 H289 L290 R291F10-L293 HydrophobicContact CD2-CD1 4.34Å; F10-L293 HydrophobicContact CE2-CD1 3.74Å; R13-L293 HydrophobicContact CG-CD2 3.99Å; F14-L293 HydrophobicContact CB-CD1 4.42Å; F14-L293 HydrophobicContact CD2-CD1 3.79Å; L17-L293 HydrophobicContact CD1-CD2 3.61Å; L17-L293 HydrophobicContact CD1-CG 3.8Å; A58-L293 HydrophobicContact CB-CB 4.2Å; H289-L293 PolarHBondContact O-N 2.95Å; H289-L293 VanDerWaalsContact O-N 3.15Å; L290-L293 HydrophobicContact CD2-CD1 4.38Å; L290-L293 CarbonylContact O-C 3.26Å; L290-L293 WeakPolarHBondContact O-CA 3.46Å; L290-L293 WeakPolarHBondContact O-CB 3.47Å; L290-L293 PolarHBondContact O-N 3.2Å; L290-L293 VanDerWaalsContact O-N 3.09Å; R291-L293 PolarHBondContact O-N 3.13Å
294G97.2Very high96Very high29 Ų2949.6 Ų49.630%0.29926%0.262SS..THydrogen-bonded Turntrans101.46.2177.300000114.8E54 L290 R291 K292 N296E54-G294 VanDerWaalsContact CD-O 3.27Å; E54-G294 WeakPolarHBondContact CG-O 3.45Å; L290-G294 PolarHBondContact O-N 3.43Å; R291-G294 WeakPolarHBondContact O-CA 3.28Å; R291-G294 PolarHBondContact O-N 3.42Å; K292-G294 PolarHBondContact O-N 3.48Å; G294-N296 PolarHBondContact O-N 3.41Å; G294-N296 PolarHBondContact O-ND2 3.19Å
295I97.7Very high96.4Very high1 Ų148.8 Ų48.81%0.00526%0.258CS..  trans-87.193.6174.4-54169.2000108.2L40 M55 A58 L290 R291 A298 F299L40-I295 HydrophobicContact CD1-CD1 4.45Å; L40-I295 HydrophobicContact CD2-CD1 4.21Å; M55-I295 HydrophobicContact CE-CD1 4.41Å; M55-I295 HydrophobicContact SD-CB 4.49Å; M55-I295 HydrophobicContact SD-CD1 3.72Å; M55-I295 HydrophobicContact SD-CG1 4.03Å; M55-I295 HydrophobicContact SD-CG2 3.62Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.34Å; L290-I295 HydrophobicContact CB-CB 4.44Å; L290-I295 HydrophobicContact CB-CD1 4.17Å; L290-I295 HydrophobicContact CD2-CD1 4.13Å; L290-I295 WeakPolarHBondContact O-CB 3.37Å; L290-I295 PolarHBondContact O-N 3.08Å; R291-I295 VanDerWaalsContact CA-O 3.25Å; R291-I295 WeakPolarHBondContact CA-O 3.08Å; R291-I295 VanDerWaalsContact CG-O 3.26Å; R291-I295 WeakPolarHBondContact CG-O 3.31Å; I295-A298 HydrophobicContact CG2-CB 3.61Å; I295-F299 HydrophobicContact CB-CE2 4.12Å; I295-F299 HydrophobicContact CG2-CD2 4.1Å; I295-F299 HydrophobicContact CG2-CE2 3.66Å; I295-F299 VanDerWaalsContact O-CD2 3.26Å; I295-F299 WeakPolarHBondContact O-CD2 3.36Å
296N98.3Very high96.6Very high59 Ų5945.1 Ų45.132%0.31624%0.242SC..  trans-107.1-48.1-177.9-67.1-70.1000112.2E54 R291 G294 A298 F299 C300E54-N296 PolarHBondContact OE2-N 3.42Å; R291-N296 PolarHBondContact NE-OD1 3.14Å; G294-N296 PolarHBondContact O-N 3.41Å; G294-N296 PolarHBondContact O-ND2 3.19Å; N296-A298 VanDerWaalsContact C-N 3.33Å; N296-A298 PolarHBondContact O-N 3.02Å; N296-F299 PolarHBondContact O-N 2.93Å; N296-F299 VanDerWaalsContact O-N 3.14Å; N296-C300 PolarHBondContact O-N 3.41Å
297D98.6Very high96.7Very high27 Ų2747.1 Ų47.114%0.14426%0.256CS..G310 helixtrans-63.7-40.5-172.6-78-4000111.3N50 T51 E54 F299 C300 S303 A304N50-D297 PolarHBondContact ND2-OD2 2.73Å; T51-D297 WeakPolarHBondContact OG1-CB 3.41Å; E54-D297 PolarHBondContact OE2-N 3.25Å; D297-F299 PolarHBondContact O-N 3.27Å; D297-C300 PolarHBondContact O-N 3.15Å; D297-S303 WeakPolarHBondContact OD1-CB 3.33Å; D297-A304 WeakPolarHBondContact O-CA 3.41Å; D297-A304 WeakPolarHBondContact O-CB 3.31Å; D297-A304 PolarHBondContact O-N 3.11Å
298A98.1Very high96.6Very high1 Ų147.3 Ų47.31%0.00826%0.26CS..G310 helixtrans-55.2-27.2178.400000113.5T51 I295 N296 F306 I317T51-A298 HydrophobicContact CG2-CB 3.9Å; I295-A298 HydrophobicContact CG2-CB 3.61Å; N296-A298 VanDerWaalsContact C-N 3.33Å; N296-A298 PolarHBondContact O-N 3.02Å; A298-F306 HydrophobicContact CB-CE2 4.34Å; A298-F306 HydrophobicContact CB-CZ 3.89Å; A298-I317 PolarHBondContact O-N 3.49Å
299F97.9Very high96.6Very high10 Ų1042.5 Ų42.54%0.04423%0.234CC..G310 helixtrans-102.73.7-179.8-58.5-77.6000113.9K287 L290 R291 I295 N296 D297 I317 V320K287-F299 HydrophobicContact CB-CD1 3.96Å; K287-F299 HydrophobicContact CB-CE1 3.93Å; K287-F299 HydrophobicContact CB-CZ 4.48Å; K287-F299 HydrophobicContact CD-CB 4.2Å; K287-F299 HydrophobicContact CD-CD1 3.87Å; K287-F299 HydrophobicContact CD-CG 4.22Å; K287-F299 HydrophobicContact CG-CB 4.24Å; K287-F299 HydrophobicContact CG-CD1 3.68Å; K287-F299 HydrophobicContact CG-CD2 4.46Å; K287-F299 HydrophobicContact CG-CE1 4.16Å; K287-F299 HydrophobicContact CG-CG 3.88Å; L290-F299 HydrophobicContact CB-CE2 3.72Å; L290-F299 HydrophobicContact CB-CZ 3.89Å; L290-F299 HydrophobicContact CD1-CE2 4.34Å; L290-F299 HydrophobicContact CD1-CZ 3.67Å; L290-F299 HydrophobicContact CG-CZ 4.44Å; R291-F299 HydrophobicContact CG-CD2 3.95Å; I295-F299 HydrophobicContact CB-CE2 4.12Å; I295-F299 HydrophobicContact CG2-CD2 4.1Å; I295-F299 HydrophobicContact CG2-CE2 3.66Å; I295-F299 VanDerWaalsContact O-CD2 3.26Å; I295-F299 WeakPolarHBondContact O-CD2 3.36Å; N296-F299 PolarHBondContact O-N 2.93Å; N296-F299 VanDerWaalsContact O-N 3.14Å; D297-F299 PolarHBondContact O-N 3.27Å; F299-I317 WeakPolarHBondContact CA-O 3.41Å; F299-I317 HydrophobicContact CD1-CB 4.22Å; F299-I317 HydrophobicContact CD1-CG2 4.19Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.19Å; F299-I317 HydrophobicContact CE1-CG2 3.78Å; F299-V320 HydrophobicContact CE1-CG2 4.24Å; F299-V320 HydrophobicContact CZ-CG2 4.25Å
300C96.4Very high96.6Very high41 Ų4141.4 Ų41.428%0.27723%0.229SC..  trans-108.1117.3-175.5-176.50000110.3N296 D297 L302 S303 A304N296-C300 PolarHBondContact O-N 3.41Å; D297-C300 PolarHBondContact O-N 3.15Å; C300-L302 PolarHBondContact O-N 3.09Å; C300-S303 PolarHBondContact O-N 3.32Å; C300-A304 WeakPolarHBondContact O-CB 3.3Å; C300-A304 PolarHBondContact O-N 3.3Å
301P93.9Very high96.2Very high74 Ų7447.9 Ų47.948%0.48126%0.264SS..THydrogen-bonded Turntrans-57.8-24.8-178-24.231.6000115.2F316P301-F316 HydrophobicContact CB-CD1 3.83Å; P301-F316 HydrophobicContact CB-CE1 3.9Å; P301-F316 HydrophobicContact CB-CG 4.35Å; P301-F316 HydrophobicContact CB-CZ 4.46Å; P301-F316 HydrophobicContact CG-CD1 3.91Å; P301-F316 HydrophobicContact CG-CD2 4.19Å; P301-F316 HydrophobicContact CG-CE1 3.72Å; P301-F316 HydrophobicContact CG-CE2 4Å; P301-F316 HydrophobicContact CG-CG 4.16Å; P301-F316 HydrophobicContact CG-CZ 3.77Å
302L94.5Very high95.7Very high149 Ų14946.3 Ų46.378%0.7827%0.271SS*.THydrogen-bonded Turntrans-92.8-25.3-176.8-63.4177.9000113.7C300C300-L302 PolarHBondContact O-N 3.09Å
303S97Very high95.3Very high56 Ų5643 Ų4339%0.39226%0.259SS..THydrogen-bonded Turntrans-110.9-19.6-173.6-50.70000113.4D297 C300 D305D297-S303 WeakPolarHBondContact OD1-CB 3.33Å; C300-S303 PolarHBondContact O-N 3.32Å; S303-D305 PolarHBondContact O-N 3.42Å
304A97.6Very high95Very high20 Ų2053.1 Ų53.117%0.16530%0.297CS..  trans-58.4123.4-179.700000110.9D297 C300 F306 M315 F316D297-A304 WeakPolarHBondContact O-CA 3.41Å; D297-A304 WeakPolarHBondContact O-CB 3.31Å; D297-A304 PolarHBondContact O-N 3.11Å; C300-A304 WeakPolarHBondContact O-CB 3.3Å; C300-A304 PolarHBondContact O-N 3.3Å; A304-F306 HydrophobicContact CB-CD2 3.97Å; A304-F306 HydrophobicContact CB-CE2 3.93Å; A304-M315 WeakPolarHBondContact CB-O 3.25Å; A304-F316 HydrophobicContact CB-CB 3.58Å
305D97.3Very high94.8Very high36 Ų3652 Ų5219%0.19328%0.284CS..  trans-113.399.6173-169.2-17.3000109.6S47 E48 N49 T51 S303 S307S47-D305 VanDerWaalsContact CA-O 3.3Å; S47-D305 WeakPolarHBondContact CA-O 3.28Å; E48-D305 PolarHBondContact N-O 3.16Å; N49-D305 PolarHBondContact ND2-OD2 2.79Å; T51-D305 PolarHBondContact OG1-N 3.07Å; S303-D305 PolarHBondContact O-N 3.42Å; D305-S307 VanDerWaalsContact OD1-CB 3.26Å; D305-S307 WeakPolarHBondContact OD1-CB 3.44Å; D305-S307 PolarHBondContact OD1-N 3.16Å; D305-S307 VanDerWaalsContact OD1-N 3.07Å; D305-S307 PolarHBondContact OD1-OG 3.18Å
306F97.1Very high94.7Very high10 Ų1053.1 Ų53.14%0.04429%0.289CS..  trans-115.438.2173.8-70.5-71.3000111.2V43 G46 T51 A298 A304 N308 V309 S310 M315 I317V43-F306 HydrophobicContact CG1-CE1 3.68Å; V43-F306 HydrophobicContact CG1-CZ 3.77Å; G46-F306 CarbonylContact O-C 3.48Å; G46-F306 VanDerWaalsContact O-CA 3.24Å; G46-F306 WeakPolarHBondContact O-CA 3.46Å; T51-F306 HydrophobicContact CG2-CE1 4.45Å; T51-F306 HydrophobicContact CG2-CE2 4.48Å; T51-F306 HydrophobicContact CG2-CZ 4.1Å; A298-F306 HydrophobicContact CB-CE2 4.34Å; A298-F306 HydrophobicContact CB-CZ 3.89Å; A304-F306 HydrophobicContact CB-CD2 3.97Å; A304-F306 HydrophobicContact CB-CE2 3.93Å; F306-N308 PolarHBondContact O-N 2.72Å; F306-V309 HydrophobicContact CB-CB 4.2Å; F306-V309 HydrophobicContact CB-CG2 3.91Å; F306-V309 HydrophobicContact CD1-CG2 4.1Å; F306-V309 HydrophobicContact CG-CG2 4.41Å; F306-V309 WeakPolarHBondContact O-CA 3.47Å; F306-V309 WeakPolarHBondContact O-CB 3.28Å; F306-V309 PolarHBondContact O-N 2.89Å; F306-S310 PolarHBondContact O-N 2.89Å; F306-M315 HydrophobicContact CB-CG 3.68Å; F306-M315 HydrophobicContact CB-SD 4.16Å; F306-M315 HydrophobicContact CD2-CG 4.28Å; F306-M315 WeakPolarHBondContact CD2-O 3.35Å; F306-M315 HydrophobicContact CG-CG 4.28Å; F306-I317 HydrophobicContact CE1-CG1 4.37Å; F306-I317 HydrophobicContact CE2-CD1 4.46Å; F306-I317 HydrophobicContact CE2-CG1 3.96Å; F306-I317 HydrophobicContact CZ-CD1 4.17Å; F306-I317 HydrophobicContact CZ-CG1 3.6Å
307S95.5Very high94.7Very high41 Ų4150.5 Ų50.529%0.28728%0.275SS..THydrogen-bonded Turntrans-57.7-26.4179.146.80000113.4Q105 D305 V309 S310 N311Q105-S307 PolarHBondContact NE2-O 2.95Å; D305-S307 VanDerWaalsContact OD1-CB 3.26Å; D305-S307 WeakPolarHBondContact OD1-CB 3.44Å; D305-S307 PolarHBondContact OD1-N 3.16Å; D305-S307 VanDerWaalsContact OD1-N 3.07Å; D305-S307 PolarHBondContact OD1-OG 3.18Å; S307-V309 VanDerWaalsContact C-N 3.25Å; S307-V309 PolarHBondContact O-N 3.46Å; S307-S310 WeakPolarHBondContact CA-O 3.17Å; S307-S310 CarbonylContact O-C 3.02Å; S307-N311 PolarHBondContact O-OD1 3.47Å
308N94.4Very high94.6Very high60 Ų6050 Ų5032%0.32127%0.274SS..THydrogen-bonded Turntrans-73-15.3172.1-67.5-41.2000113.3G46 S47 E48 F108 F306G46-N308 WeakPolarHBondContact O-CB 3.33Å; S47-N308 PolarHBondContact O-ND2 2.9Å; E48-N308 PolarHBondContact OE2-ND2 2.78Å; F108-N308 WeakPolarHBondContact CB-O 3.47Å; F306-N308 PolarHBondContact O-N 2.72Å
309V96.1Very high94.5Very high2 Ų251 Ų511%0.01228%0.279CS..THydrogen-bonded Turntrans-90.8-48.3174.9-172.20000111.4I104 Q105 F108 F306 S307 M315I104-V309 CarbonylContact C-O 3.59Å; I104-V309 WeakPolarHBondContact CA-O 3.46Å; I104-V309 HydrophobicContact CG1-CG1 4.42Å; I104-V309 HydrophobicContact CG2-CG1 4.13Å; Q105-V309 WeakPolarHBondContact CG-O 3.23Å; Q105-V309 PolarHBondContact N-O 2.83Å; F108-V309 HydrophobicContact CD1-CB 4.34Å; F108-V309 HydrophobicContact CD1-CG1 3.85Å; F108-V309 HydrophobicContact CD1-CG2 4.2Å; F108-V309 HydrophobicContact CD2-CG2 4.17Å; F108-V309 HydrophobicContact CE1-CB 4.36Å; F108-V309 HydrophobicContact CE1-CG1 3.79Å; F108-V309 HydrophobicContact CE1-CG2 3.88Å; F108-V309 HydrophobicContact CE2-CG2 3.89Å; F108-V309 HydrophobicContact CG-CG2 4.31Å; F108-V309 HydrophobicContact CZ-CG1 4.46Å; F108-V309 HydrophobicContact CZ-CG2 3.71Å; F306-V309 HydrophobicContact CB-CB 4.2Å; F306-V309 HydrophobicContact CB-CG2 3.91Å; F306-V309 HydrophobicContact CD1-CG2 4.1Å; F306-V309 HydrophobicContact CG-CG2 4.41Å; F306-V309 WeakPolarHBondContact O-CA 3.47Å; F306-V309 WeakPolarHBondContact O-CB 3.28Å; F306-V309 PolarHBondContact O-N 2.89Å; S307-V309 VanDerWaalsContact C-N 3.25Å; S307-V309 PolarHBondContact O-N 3.46Å; V309-M315 HydrophobicContact CB-SD 3.67Å; V309-M315 HydrophobicContact CG1-CE 4.19Å; V309-M315 HydrophobicContact CG1-SD 3.39Å; V309-M315 WeakPolarHBondContact CG1-SD 3.48Å; V309-M315 HydrophobicContact CG2-SD 4.3Å
310S95Very high94.4Very high4 Ų450.6 Ų50.63%0.02828%0.277CS..  trans-140.7134.8176.8179.10000110.8S103 F306 S307 S312 D313S103-S310 WeakPolarHBondContact O-CB 3.42Å; S103-S310 PolarHBondContact O-OG 2.92Å; F306-S310 PolarHBondContact O-N 2.89Å; S307-S310 WeakPolarHBondContact CA-O 3.17Å; S307-S310 CarbonylContact O-C 3.02Å; S310-S312 PolarHBondContact OG-N 2.79Å; S310-S312 PolarHBondContact OG-OG 2.83Å; S310-D313 WeakPolarHBondContact OG-CB 3.47Å; S310-D313 PolarHBondContact OG-N 3.34Å; S310-D313 PolarHBondContact OG-OD2 3.3Å
311N88.2Confident94.4Very high136 Ų13649 Ų4973%0.72727%0.266SS*.SBendtrans-84.7-24.9174.3-72.8-35.3000112.7Q105 S307Q105-N311 PolarHBondContact NE2-ND2 3.22Å; Q105-N311 PolarHBondContact NE2-OD1 3.47Å; S307-N311 PolarHBondContact O-OD1 3.47Å
312S86.8Confident94.4Very high87 Ų8745.5 Ų45.561%0.60824%0.243SC*.SBendtrans-99.7-29.6-172.244.40000113.1S310S310-S312 PolarHBondContact OG-N 2.79Å; S310-S312 PolarHBondContact OG-OG 2.83Å
313D88.6Confident94.3Very high53 Ų5340 Ų4028%0.28321%0.213SC..  trans-116.9132.4-166.4-49.9-65.8000110.5V102 S103 S310V102-D313 HydrophobicContact CG1-CB 4.22Å; V102-D313 HydrophobicContact CG2-CB 4.42Å; S103-D313 WeakPolarHBondContact CB-OD2 3.26Å; S103-D313 PolarHBondContact N-OD2 2.91Å; S310-D313 WeakPolarHBondContact OG-CB 3.47Å; S310-D313 PolarHBondContact OG-N 3.34Å; S310-D313 PolarHBondContact OG-OD2 3.3Å
314R88.7Confident94Very high219 Ų21937.8 Ų37.883%0.82620%0.198SC*.  trans-76.6131.3168.5-68.1-172.5-179.8-174.6-0.7108.9
315M93.7Very high93.4Very high6 Ų637 Ų373%0.0319%0.191CC..  trans-139.2161.8175.766.4173.7-70.700110.5V98 V102 S162 A163 A304 F306 V309V98-M315 HydrophobicContact CG1-CE 4.27Å; V102-M315 HydrophobicContact CG1-SD 4.12Å; S162-M315 WeakPolarHBondContact OG-CA 3.48Å; S162-M315 WeakPolarHBondContact OG-CB 3.26Å; A163-M315 HydrophobicContact CB-CE 3.66Å; A304-M315 WeakPolarHBondContact CB-O 3.25Å; F306-M315 HydrophobicContact CB-CG 3.68Å; F306-M315 HydrophobicContact CB-SD 4.16Å; F306-M315 HydrophobicContact CD2-CG 4.28Å; F306-M315 WeakPolarHBondContact CD2-O 3.35Å; F306-M315 HydrophobicContact CG-CG 4.28Å; V309-M315 HydrophobicContact CB-SD 3.67Å; V309-M315 HydrophobicContact CG1-CE 4.19Å; V309-M315 HydrophobicContact CG1-SD 3.39Å; V309-M315 WeakPolarHBondContact CG1-SD 3.48Å; V309-M315 HydrophobicContact CG2-SD 4.3Å
316F96.3Very high92.8Very high25 Ų2535.4 Ų35.411%0.1118%0.182CC..  trans-145.4159.3174.265-79.8000109.1D160 S162 A163 P301 A304 S318D160-F316 WeakPolarHBondContact O-CZ 3.29Å; S162-F316 VanDerWaalsContact CB-CE1 3.49Å; S162-F316 WeakPolarHBondContact CB-O 3.38Å; S162-F316 PolarHBondContact OG-N 3.36Å; S162-F316 PolarHBondContact OG-O 3.35Å; A163-F316 PolarHBondContact N-O 2.85Å; P301-F316 HydrophobicContact CB-CD1 3.83Å; P301-F316 HydrophobicContact CB-CE1 3.9Å; P301-F316 HydrophobicContact CB-CG 4.35Å; P301-F316 HydrophobicContact CB-CZ 4.46Å; P301-F316 HydrophobicContact CG-CD1 3.91Å; P301-F316 HydrophobicContact CG-CD2 4.19Å; P301-F316 HydrophobicContact CG-CE1 3.72Å; P301-F316 HydrophobicContact CG-CE2 4Å; P301-F316 HydrophobicContact CG-CG 4.16Å; P301-F316 HydrophobicContact CG-CZ 3.77Å; A304-F316 HydrophobicContact CB-CB 3.58Å; F316-S318 PolarHBondContact O-N 3.17Å
317I97.6Very high92.2Very high4 Ų435.7 Ų35.72%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-78.6118.9172-55.7-53.8000108V43 L96 A163 V165 A298 F299 F306 D319 V320V43-I317 HydrophobicContact CG1-CG1 4.09Å; V43-I317 HydrophobicContact CG2-CD1 4.43Å; V43-I317 HydrophobicContact CG2-CG1 4.26Å; L96-I317 HydrophobicContact CD1-CD1 4.3Å; A163-I317 HydrophobicContact CB-CD1 4.05Å; V165-I317 HydrophobicContact CG2-CD1 4.04Å; V165-I317 HydrophobicContact CG2-CG2 4.18Å; A298-I317 PolarHBondContact O-N 3.49Å; F299-I317 WeakPolarHBondContact CA-O 3.41Å; F299-I317 HydrophobicContact CD1-CB 4.22Å; F299-I317 HydrophobicContact CD1-CG2 4.19Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.19Å; F299-I317 HydrophobicContact CE1-CG2 3.78Å; F306-I317 HydrophobicContact CE1-CG1 4.37Å; F306-I317 HydrophobicContact CE2-CD1 4.46Å; F306-I317 HydrophobicContact CE2-CG1 3.96Å; F306-I317 HydrophobicContact CZ-CD1 4.17Å; F306-I317 HydrophobicContact CZ-CG1 3.6Å; I317-D319 WeakPolarHBondContact CG2-O 3.42Å; I317-V320 HydrophobicContact CG2-CG2 3.99Å
318S96.6Very high91.8Very high17 Ų1733.9 Ų33.912%0.11917%0.171CC..EExtended strand (participates in β ladder)trans-75.7-42.5176.9-58.70000111.1T161 S162 A163 K287 F316T161-S318 WeakPolarHBondContact CA-OG 3.36Å; S162-S318 PolarHBondContact N-OG 3.4Å; A163-S318 WeakPolarHBondContact O-CB 3.38Å; A163-S318 PolarHBondContact O-N 3.49Å; K287-S318 VanDerWaalsContact CD-O 3.26Å; K287-S318 WeakPolarHBondContact CD-O 3.49Å; F316-S318 PolarHBondContact O-N 3.17Å
319D95.8Very high91.5Very high22 Ų2232.2 Ų32.212%0.11816%0.162CC..EExtended strand (participates in β ladder)trans-160.2163.2170.5-142-34.2000111.8V165 K285 L286 K287 I317 M321V165-D319 PolarHBondContact N-O 2.91Å; V165-D319 VanDerWaalsContact N-O 3.12Å; K285-D319 WeakPolarHBondContact CB-OD2 3.44Å; K285-D319 WeakPolarHBondContact CD-OD2 3.21Å; L286-D319 PolarHBondContact N-OD1 2.87Å; K287-D319 VanDerWaalsContact CB-OD1 3.27Å; K287-D319 WeakPolarHBondContact CB-OD1 3.26Å; K287-D319 PolarHBondContact N-OD1 3.23Å; I317-D319 WeakPolarHBondContact CG2-O 3.42Å; D319-M321 HydrophobicContact CB-SD 4.1Å
320V96.4Very high91Very high1 Ų132.8 Ų32.81%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-114117.3166.8-178.10000107.2V165 L286 L290 F299 I317V165-V320 HydrophobicContact CB-CB 4.4Å; V165-V320 HydrophobicContact CB-CG1 4.16Å; V165-V320 HydrophobicContact CB-CG2 4.07Å; V165-V320 HydrophobicContact CG1-CG1 4.26Å; V165-V320 HydrophobicContact CG2-CG2 4.36Å; V165-V320 CarbonylContact O-C 3.58Å; V165-V320 WeakPolarHBondContact O-CA 3.27Å; L286-V320 HydrophobicContact CB-CB 4.14Å; L286-V320 VanDerWaalsContact CB-O 3.31Å; L286-V320 WeakPolarHBondContact CB-O 3.3Å; L286-V320 HydrophobicContact CD1-CG1 4.14Å; L286-V320 WeakPolarHBondContact CG-O 3.29Å; L286-V320 PolarHBondContact N-O 2.88Å; L290-V320 HydrophobicContact CD1-CB 4.02Å; L290-V320 HydrophobicContact CD1-CG2 3.85Å; F299-V320 HydrophobicContact CE1-CG2 4.24Å; F299-V320 HydrophobicContact CZ-CG2 4.25Å; I317-V320 HydrophobicContact CG2-CG2 3.99Å
321M95.3Very high90.2Very high6 Ų636.9 Ų36.93%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-102.9117.9-172.5-58.9-65.7-5300109.7L151 I152 V164 V165 A167 A283 K285 D319L151-M321 HydrophobicContact CD1-CB 4.24Å; L151-M321 HydrophobicContact CD2-CB 3.99Å; L151-M321 HydrophobicContact CG-CB 4.04Å; L151-M321 WeakPolarHBondContact O-CE 3.21Å; I152-M321 HydrophobicContact CD1-CB 4.02Å; I152-M321 HydrophobicContact CD1-CE 3.92Å; I152-M321 HydrophobicContact CD1-CG 3.49Å; I152-M321 VanDerWaalsContact CD1-CG 3.49Å; I152-M321 HydrophobicContact CD1-SD 4.19Å; V164-M321 HydrophobicContact CG1-CG 3.78Å; V165-M321 PolarHBondContact O-N 2.83Å; A167-M321 PolarHBondContact N-O 3.44Å; A283-M321 HydrophobicContact CB-CE 4.1Å; K285-M321 HydrophobicContact CG-CE 3.83Å; K285-M321 HydrophobicContact CG-SD 3.73Å; D319-M321 HydrophobicContact CB-SD 4.1Å
322H94.5Very high89.3Confident1 Ų130.6 Ų30.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-117.8136.1179.4-179.563000112.4L31 S32 I36 A167 L284 L286L31-H322 WeakPolarHBondContact CA-NE2 3.37Å; S32-H322 PolarHBondContact N-CE1 3.37Å; S32-H322 PolarHBondContact N-NE2 3.05Å; I36-H322 HydrophobicContact CD1-CB 4.28Å; I36-H322 HydrophobicContact CG1-CB 4.09Å; A167-H322 WeakPolarHBondContact O-CA 3.41Å; A167-H322 PolarHBondContact O-ND1 3.38Å; L284-H322 HydrophobicContact CB-CB 4.45Å; L284-H322 PolarHBondContact N-O 3.1Å; L284-H322 PolarHBondContact O-N 3.18Å; L286-H322 HydrophobicContact CD1-CB 3.79Å; L286-H322 HydrophobicContact CG-CB 4.19Å
323K91.5Very high87.6Confident33 Ų3326.6 Ų26.614%0.14312%0.121CC..EExtended strand (participates in β ladder)trans-145.6133.6167.2-171156.9174.51650109.9I148 L151 A167 T169 R279 G281 A283I148-K323 HydrophobicContact CD1-CB 4.22Å; I148-K323 HydrophobicContact CD1-CG 4.17Å; I148-K323 HydrophobicContact CG2-CB 4.45Å; I148-K323 HydrophobicContact CG2-CD 3.93Å; I148-K323 HydrophobicContact CG2-CG 4.27Å; L151-K323 HydrophobicContact CD1-CB 3.59Å; A167-K323 PolarHBondContact O-N 3.29Å; T169-K323 PolarHBondContact N-O 3.46Å; T169-K323 VanDerWaalsContact N-O 3.1Å; R279-K323 WeakPolarHBondContact O-CE 3.48Å; G281-K323 WeakPolarHBondContact O-CE 3.23Å; G281-K323 PolarHBondContact O-NZ 3.23Å; G281-K323 VanDerWaalsContact O-NZ 3.14Å; A283-K323 HydrophobicContact CB-CB 4.38Å; A283-K323 HydrophobicContact CB-CD 4.25Å
324A90.1Very high85.4Confident10 Ų1026 Ų268%0.08312%0.12CC..EExtended strand (participates in β ladder)trans-121.8144.917600000109.4F30 T169 F377F30-A324 HydrophobicContact CD1-CB 3.86Å; F30-A324 HydrophobicContact CE1-CB 4.22Å; T169-A324 WeakPolarHBondContact O-CA 3.36Å; A324-F377 HydrophobicContact CB-CD1 4.01Å; A324-F377 HydrophobicContact CB-CE1 3.89Å
325I85.2Confident82.5Confident4 Ų419.2 Ų19.22%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-124.9135.3174.2-67.9-173.5000109.8Q147 I148 T169 Y170 L278 R279Q147-I325 HydrophobicContact CB-CD1 4.25Å; Q147-I325 WeakPolarHBondContact O-CD1 3.39Å; I148-I325 HydrophobicContact CB-CD1 4.49Å; I148-I325 HydrophobicContact CD1-CD1 4.38Å; I148-I325 HydrophobicContact CD1-CG1 4.28Å; I148-I325 HydrophobicContact CG1-CD1 3.48Å; I148-I325 VanDerWaalsContact CG1-CD1 3.48Å; I148-I325 HydrophobicContact CG1-CG1 3.91Å; T169-I325 PolarHBondContact O-N 2.9Å; Y170-I325 HydrophobicContact CD2-CB 4.37Å; Y170-I325 HydrophobicContact CD2-CG2 4.36Å; Y170-I325 HydrophobicContact CE2-CG2 4.49Å; L278-I325 WeakPolarHBondContact O-CA 3.18Å; R279-I325 HydrophobicContact CG-CD1 4.38Å; R279-I325 HydrophobicContact CG-CG2 3.6Å
326F85.2Confident79.3Confident2 Ų222.6 Ų22.61%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-143.5143.5170.9179.1-123.3000111.6F30 F171 F225 L232 F276 L278 V328 I366 I368F30-F326 HydrophobicContact CD1-CB 3.74Å; F30-F326 HydrophobicContact CE1-CB 3.15Å; F30-F326 HydrophobicContact CE1-CG 4.05Å; F30-F326 HydrophobicContact CE2-CB 4.09Å; F30-F326 AromaticContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CG 4.24Å; F30-F326 HydrophobicContact CG-CB 4.42Å; F30-F326 HydrophobicContact CZ-CB 3.32Å; F30-F326 AromaticContact CZ-CD1 3.89Å; F30-F326 HydrophobicContact CZ-CD1 3.89Å; F30-F326 HydrophobicContact CZ-CD2 4.46Å; F30-F326 AromaticContact CZ-CG 3.67Å; F30-F326 HydrophobicContact CZ-CG 3.67Å; F171-F326 HydrophobicContact CD1-CD2 4.07Å; F171-F326 HydrophobicContact CD1-CE2 4.01Å; F171-F326 HydrophobicContact CE1-CE2 4.3Å; F225-F326 HydrophobicContact CZ-CE2 4.34Å; F225-F326 HydrophobicContact CZ-CZ 4.47Å; L232-F326 HydrophobicContact CD1-CE1 4.04Å; L232-F326 HydrophobicContact CD1-CZ 3.99Å; L232-F326 HydrophobicContact CD2-CZ 4.31Å; F276-F326 AromaticContact CE2-CD1 3.93Å; F276-F326 HydrophobicContact CE2-CD1 3.93Å; F276-F326 AromaticContact CE2-CE1 3.96Å; F276-F326 HydrophobicContact CE2-CE1 3.96Å; F276-F326 HydrophobicContact CZ-CD1 4.44Å; F276-F326 HydrophobicContact CZ-CE1 4.01Å; L278-F326 PolarHBondContact N-O 3.19Å; L278-F326 PolarHBondContact O-N 3.48Å; L278-F326 VanDerWaalsContact O-N 3.15Å; F326-V328 HydrophobicContact CD1-CG2 4.15Å; F326-V328 HydrophobicContact CE1-CG2 3.32Å; F326-V328 HydrophobicContact CE2-CG2 4.21Å; F326-V328 HydrophobicContact CZ-CG2 3.35Å; F326-I366 HydrophobicContact CD1-CD1 4.05Å; F326-I366 HydrophobicContact CE1-CD1 4.14Å; F326-I368 HydrophobicContact CD2-CD1 3.7Å; F326-I368 HydrophobicContact CE2-CD1 3.64Å; F326-I368 HydrophobicContact CE2-CG1 4.39Å; F326-I368 HydrophobicContact CG-CD1 4.26Å; F326-I368 HydrophobicContact CZ-CD1 4.14Å; F326-I368 HydrophobicContact CZ-CG1 4.45Å
327E84.8Confident76Confident16 Ų1625.8 Ų25.88%0.07517%0.17CC..EExtended strand (participates in β ladder)trans-139139.4-177.7167.9163.6-175.800109.5K277 R279 A333 V334K277-E327 HydrophobicContact CD-CG 4.17Å; K277-E327 WeakPolarHBondContact CD-OE1 3.41Å; K277-E327 WeakPolarHBondContact CE-OE1 3.45Å; K277-E327 HydrophobicContact CG-CB 4.34Å; K277-E327 HydrophobicContact CG-CG 3.88Å; K277-E327 IonicContact NZ-OE1 3.38Å; K277-E327 PolarHBondContact NZ-OE1 2.82Å; K277-E327 IonicContact NZ-OE2 3.74Å; R279-E327 IonicContact CZ-OE2 2.72Å; R279-E327 IonicContact NE-OE2 2.78Å; R279-E327 PolarHBondContact NE-OE2 3.36Å; R279-E327 IonicContact NH2-OE2 2.84Å; R279-E327 PolarHBondContact NH2-OE2 3.48Å; E327-A333 HydrophobicContact CB-CB 4.36Å; E327-A333 WeakPolarHBondContact O-CB 3.47Å; E327-V334 HydrophobicContact CG-CG2 4.45Å; E327-V334 WeakPolarHBondContact OE2-CG2 3.37Å
328V87.7Confident72.8Confident3 Ų329.6 Ų29.62%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-124.1121.5-178.8168.10000108.9W175 M202 L273 K275 F276 F326W175-V328 HydrophobicContact CZ2-CG1 4.08Å; W175-V328 HydrophobicContact CZ2-CG2 4.27Å; M202-V328 HydrophobicContact CE-CG1 3.49Å; M202-V328 VanDerWaalsContact CE-CG1 3.49Å; L273-V328 HydrophobicContact CD2-CG1 3.72Å; L273-V328 HydrophobicContact CG-CG1 4.32Å; K275-V328 WeakPolarHBondContact CA-O 3.33Å; F276-V328 HydrophobicContact CD1-CB 4.04Å; F276-V328 HydrophobicContact CD1-CG1 4.34Å; F276-V328 HydrophobicContact CD1-CG2 4.44Å; F276-V328 HydrophobicContact CD2-CG2 4.49Å; F276-V328 HydrophobicContact CE1-CB 3.78Å; F276-V328 HydrophobicContact CE1-CG1 4Å; F276-V328 HydrophobicContact CE1-CG2 3.76Å; F276-V328 HydrophobicContact CE2-CB 4.3Å; F276-V328 HydrophobicContact CE2-CG2 3.84Å; F276-V328 HydrophobicContact CG-CB 4.4Å; F276-V328 HydrophobicContact CZ-CB 3.94Å; F276-V328 HydrophobicContact CZ-CG2 3.43Å; F276-V328 VanDerWaalsContact CZ-CG2 3.43Å; F276-V328 PolarHBondContact N-O 2.95Å; F276-V328 PolarHBondContact O-N 3.41Å; F326-V328 HydrophobicContact CD1-CG2 4.15Å; F326-V328 HydrophobicContact CE1-CG2 3.32Å; F326-V328 HydrophobicContact CE2-CG2 4.21Å; F326-V328 HydrophobicContact CZ-CG2 3.35Å
329D88Confident69.7Low26 Ų2635.1 Ų35.114%0.13924%0.235CC..  trans-140.6-179.217469.628.6000109.9W175 K331 G332 A333 V334W175-D329 PolarHBondContact NE1-O 3.28Å; D329-K331 PolarHBondContact O-N 3.07Å; D329-K331 PolarHBondContact OD1-N 3.02Å; D329-G332 PolarHBondContact O-N 2.78Å; D329-G332 WeakPolarHBondContact OD1-CA 3.4Å; D329-G332 PolarHBondContact OD1-N 3.34Å; D329-A333 PolarHBondContact OD1-N 2.76Å; D329-V334 PolarHBondContact OD2-N 3.47Å
330E85.3Confident66.7Low13 Ų1338.3 Ų38.36%0.06126%0.264CS..SBendtrans-61.1-29.9-175.1-77.495.8155.600114.7S178 F179 E181 S184 M202 K275S178-E330 CarbonylContact C-O 3.52Å; S178-E330 WeakPolarHBondContact CA-O 3.39Å; S178-E330 WeakPolarHBondContact CB-O 3.4Å; F179-E330 HydrophobicContact CB-CB 4.18Å; F179-E330 HydrophobicContact CB-CG 3.97Å; F179-E330 PolarHBondContact N-O 2.79Å; F179-E330 VanDerWaalsContact O-CB 3.31Å; F179-E330 WeakPolarHBondContact O-CB 3.26Å; E181-E330 HydrophobicContact CG-CB 4Å; E181-E330 HydrophobicContact CG-CG 3.93Å; S184-E330 VanDerWaalsContact CB-OE1 3.31Å; S184-E330 WeakPolarHBondContact CB-OE1 3.25Å; S184-E330 PolarHBondContact OG-OE1 2.87Å; M202-E330 HydrophobicContact CG-CG 4.11Å; M202-E330 VanDerWaalsContact SD-CA 3.6Å; M202-E330 HydrophobicContact SD-CB 4.36Å; M202-E330 HydrophobicContact SD-CG 3.89Å; M202-E330 PolarHBondContact SD-N 3.18Å; K275-E330 WeakPolarHBondContact CE-OE1 3.45Å; K275-E330 WeakPolarHBondContact CE-OE2 3.34Å; K275-E330 IonicContact NZ-OE1 3.22Å; K275-E330 PolarHBondContact NZ-OE1 3.19Å; K275-E330 IonicContact NZ-OE2 2.7Å; K275-E330 PolarHBondContact NZ-OE2 3.17Å
331K77Confident63.5Low91 Ų9144.3 Ų44.340%0.39630%0.301SS..SBendtrans-95-21.9-174.4-69.6169.7173.7139.80111.4M174 W175 E181 D329M174-K331 VanDerWaalsContact CA-O 3.24Å; M174-K331 WeakPolarHBondContact CA-O 3.44Å; W175-K331 PolarHBondContact N-O 2.74Å; E181-K331 WeakPolarHBondContact OE1-CE 3.41Å; E181-K331 IonicContact OE1-NZ 3.47Å; E181-K331 PolarHBondContact OE1-NZ 2.98Å; D329-K331 PolarHBondContact O-N 3.07Å; D329-K331 PolarHBondContact OD1-N 3.02Å
332G70.3Confident60.6Low3 Ų354.6 Ų54.63%0.03134%0.34CS..SBendtrans93.3103.9-169.300000109.1G173 W175 D329G173-G332 CarbonylContact O-C 3.52Å; G173-G332 WeakPolarHBondContact O-CA 3.4Å; W175-G332 VanDerWaalsContact CD1-N 3.3Å; D329-G332 PolarHBondContact O-N 2.78Å; D329-G332 WeakPolarHBondContact OD1-CA 3.4Å; D329-G332 PolarHBondContact OD1-N 3.34Å
333A50Low57.4Low3 Ų363.3 Ų63.33%0.02538%0.383CS..SBendtrans31.7101.3174.700000117.2K172 E327 D329K172-A333 WeakPolarHBondContact CE-O 3.24Å; K172-A333 HydrophobicContact CG-CB 4.07Å; K172-A333 WeakPolarHBondContact CG-O 3.2Å; E327-A333 HydrophobicContact CB-CB 4.36Å; E327-A333 WeakPolarHBondContact O-CB 3.47Å; D329-A333 PolarHBondContact OD1-N 2.76Å
334V44Very low54.8Low42 Ų4267.7 Ų67.726%0.25541%0.406SS..SBendtrans66.585.9161-166.20000116.6K172 E327 D329K172-V334 WeakPolarHBondContact CE-O 3.3Å; K172-V334 PolarHBondContact NZ-O 3.19Å; E327-V334 HydrophobicContact CG-CG2 4.45Å; E327-V334 WeakPolarHBondContact OE2-CG2 3.37Å; D329-V334 PolarHBondContact OD2-N 3.47Å
335A27.8Very low52Low75 Ų7577.8 Ų77.862%0.6244%0.442SS*.  trans47.8110.3144.400000120.1
336A26.4Very low49.4Very low78 Ų7883.9 Ų83.965%0.64548%0.484SS*.  163.6120.8112.200000110.8
337A27.1Very low46.9Very low91 Ų9188.8 Ų88.875%0.75251%0.514SS*.  trans40.7114.4157.800000120.3
338A29.5Very low44.4Very low84 Ų8491.5 Ų91.569%0.69454%0.54SS*.  163.7106.9119.600000110.9
339T31.1Very low41.9Very low134 Ų134101.7 Ų101.782%0.82258%0.584SS**  trans-14.2116.1154.3-33.10000115.4
340A34.1Very low39.6Very low88 Ų88106.1 Ų106.173%0.72761%0.606SS**  trans-138.163.6159.700000109.4R342A340-R342 PolarHBondContact O-N 2.85Å
341T29.1Very low37.6Very low127 Ų127115.8 Ų115.878%0.77965%0.649SS**  trans-68.195.3168.829.40000108.9M343T341-M343 PolarHBondContact O-N 2.81Å; T341-M343 VanDerWaalsContact O-N 3.14Å
342R34.2Very low36.4Very low222 Ų222117.7 Ų117.784%0.83866%0.659SS**  trans-69.6105.8161.4-95.4-176.6160.7172.5-3.7107.6A340 I344A340-R342 PolarHBondContact O-N 2.85Å; R342-I344 PolarHBondContact O-N 2.92Å
343M27.8Very low36Very low184 Ų184126.5 Ų126.591%0.90670%0.696SS**  trans-59107175.3-156.8-178.9-70.300109T341 R345T341-M343 PolarHBondContact O-N 2.81Å; T341-M343 VanDerWaalsContact O-N 3.14Å; M343-R345 PolarHBondContact O-N 3Å
344I36.7Very low37.4Very low125 Ų125132.2 Ų132.264%0.64173%0.733SS**  trans-70.5126173.1-62.8173.8000107.2R342 C346R342-I344 PolarHBondContact O-N 2.92Å; I344-C346 PolarHBondContact O-N 3.4Å
345R30.4Very low39.3Very low222 Ų222131.9 Ų131.984%0.83873%0.731SS**  trans-65.7114.4176.9-147.3179.8-169.1174.72.6108.1M343 T347M343-R345 PolarHBondContact O-N 3Å; R345-T347 VanDerWaalsContact C-N 3.32Å; R345-T347 PolarHBondContact O-N 3.14Å
346C30.4Very low42.4Very low133 Ų133131.5 Ų131.590%0.89972%0.722SS**  trans-66.490170.1-650000109.2I344I344-C346 PolarHBondContact O-N 3.4Å
347T33.8Very low45.7Very low105 Ų105132.1 Ų132.164%0.64471%0.712SS**  trans-83.4127.8168.444.50000109.7R345R345-T347 VanDerWaalsContact C-N 3.32Å; R345-T347 PolarHBondContact O-N 3.14Å
348A31.7Very low49.1Very low73 Ų73127.8 Ų127.860%0.60368%0.676SS**  trans-51.8138.6-176.800000114I350A348-I350 PolarHBondContact O-N 2.83Å
349F34.4Very low52.3Low217 Ų217126.1 Ų126.195%0.95265%0.652SS**  trans17.172.6150.4-58.1-84.7000116.8
350I41.3Very low55.5Low118 Ų118119.8 Ų119.861%0.60561%0.613SS**  trans-111134.4156.4-60.5171.2000105.2A348 H352A348-I350 PolarHBondContact O-N 2.83Å; I350-H352 PolarHBondContact O-N 3.39Å
351F42.8Very low58.5Low217 Ų217116.9 Ų116.995%0.95259%0.585SS**  trans-55.780.5172.7-76.8-97.2000109.9
352H51.5Low61.8Low130 Ų130111 Ų11160%0.60255%0.549SS*.  trans-79.4126.6-179-79.6-29.9000108I350I350-H352 PolarHBondContact O-N 3.39Å
353K60.9Low64.8Low189 Ų189100.4 Ų100.482%0.82251%0.509SS*.  trans-43.9135.3161.6-72.3-179.3176.2-179.60108V355K353-V355 PolarHBondContact O-N 3.24Å
354P79.4Confident68.1Low122 Ų12291.7 Ų91.779%0.79247%0.465SS*.PPolyproline II helixtrans-54131179.122-31.9000109.2
355V85.7Confident70.9Confident35 Ų3585.7 Ų85.721%0.21244%0.435CS..PPolyproline II helixtrans-63.4123.8178.4176.60000107.7K268 K353K268-V355 HydrophobicContact CD-CG2 4.16Å; K268-V355 HydrophobicContact CG-CG1 4.14Å; K268-V355 WeakPolarHBondContact O-CG1 3.44Å; K353-V355 PolarHBondContact O-N 3.24Å
356P92.4Very high74.1Confident68 Ų6875.1 Ų75.144%0.44240%0.395SS..PPolyproline II helixtrans-60.7145.3-176.914.9-21.8000112.1T267 L269 N270T267-P356 HydrophobicContact CG2-CG 4.43Å; L269-P356 WeakPolarHBondContact CA-O 3.05Å; L269-P356 HydrophobicContact CD2-CB 3.95Å; L269-P356 HydrophobicContact CD2-CG 3.76Å; N270-P356 PolarHBondContact N-O 3.15Å
357E95.3Very high77.2Confident90 Ų9068.8 Ų68.842%0.42135%0.352SS..EExtended strand (participates in β ladder)trans-95.8132.5176.7-61.8-167.2-18000111.6R219 N270 Y272 R359R219-E357 PolarHBondContact NH1-O 3.4Å; N270-E357 HydrophobicContact CB-CG 4.1Å; N270-E357 WeakPolarHBondContact O-CA 3.47Å; Y272-E357 HydrophobicContact CE2-CB 4.46Å; Y272-E357 HydrophobicContact CE2-CG 4.18Å; E357-R359 IonicContact OE1-NH2 3.86Å; E357-R359 IonicContact OE2-CZ 2.95Å; E357-R359 IonicContact OE2-NE 3.2Å; E357-R359 PolarHBondContact OE2-NE 2.77Å; E357-R359 IonicContact OE2-NH2 3.25Å; E357-R359 PolarHBondContact OE2-NH2 3.36Å
358F97.6Very high80.1Confident0 Ų063.8 Ų63.80%032%0.322CS..EExtended strand (participates in β ladder)trans-111.792.9163.7-163.3-73.7000107.8M210 R219 V221 V234 L236 N270 L271 Y272 V360M210-F358 HydrophobicContact CE-CD2 3.96Å; M210-F358 HydrophobicContact CE-CE2 4.34Å; M210-F358 HydrophobicContact CG-CD2 4.35Å; M210-F358 HydrophobicContact SD-CD2 4.19Å; R219-F358 HydrophobicContact CB-CE2 3.94Å; R219-F358 HydrophobicContact CG-CD2 4.31Å; R219-F358 HydrophobicContact CG-CE2 3.61Å; R219-F358 HydrophobicContact CG-CZ 4.11Å; V221-F358 HydrophobicContact CB-CD1 4.38Å; V221-F358 HydrophobicContact CB-CD2 4.15Å; V221-F358 HydrophobicContact CB-CE1 4.22Å; V221-F358 HydrophobicContact CB-CE2 3.98Å; V221-F358 HydrophobicContact CB-CG 4.35Å; V221-F358 HydrophobicContact CB-CZ 4.03Å; V221-F358 HydrophobicContact CG1-CD1 3.8Å; V221-F358 HydrophobicContact CG1-CD2 4.42Å; V221-F358 HydrophobicContact CG1-CE1 3.51Å; V221-F358 HydrophobicContact CG1-CE2 4.17Å; V221-F358 HydrophobicContact CG1-CG 4.26Å; V221-F358 HydrophobicContact CG1-CZ 3.73Å; V234-F358 HydrophobicContact CG1-CE1 4.26Å; L236-F358 HydrophobicContact CB-CE1 3.95Å; L236-F358 HydrophobicContact CB-CZ 3.76Å; L236-F358 HydrophobicContact CD2-CD1 4.44Å; L236-F358 HydrophobicContact CD2-CE1 4.01Å; L236-F358 HydrophobicContact CD2-CZ 4.36Å; N270-F358 PolarHBondContact O-N 3.42Å; L271-F358 HydrophobicContact CD1-CB 4.14Å; L271-F358 HydrophobicContact CD1-CD1 3.86Å; L271-F358 HydrophobicContact CD1-CG 4.3Å; Y272-F358 PolarHBondContact N-O 3.36Å; F358-V360 HydrophobicContact CD1-CG2 3.85Å; F358-V360 HydrophobicContact CE1-CG2 3.67Å
359R97.7Very high83.1Confident50 Ų5060.3 Ų60.319%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-106.8107.2-173-175.7-178.5-62.7-87.9-1.4111.3L201 L236 Y272 E357 N361L201-R359 HydrophobicContact CD2-CG 4.37Å; L236-R359 WeakPolarHBondContact CD2-O 3.48Å; Y272-R359 HydrophobicContact CD2-CB 4.1Å; Y272-R359 HydrophobicContact CD2-CG 4.31Å; Y272-R359 VanDerWaalsContact CE2-NH2 3.27Å; Y272-R359 HydrophobicContact CG-CG 4.33Å; Y272-R359 VanDerWaalsContact CZ-NH2 3.3Å; E357-R359 IonicContact OE1-NH2 3.86Å; E357-R359 IonicContact OE2-CZ 2.95Å; E357-R359 IonicContact OE2-NE 3.2Å; E357-R359 PolarHBondContact OE2-NE 2.77Å; E357-R359 IonicContact OE2-NH2 3.25Å; E357-R359 PolarHBondContact OE2-NH2 3.36Å; R359-N361 VanDerWaalsContact C-N 3.27Å; R359-N361 HydrophobicContact CG-CB 3.94Å; R359-N361 PolarHBondContact O-N 3.41Å; R359-N361 PolarHBondContact O-OD1 3.28Å
360V98.2Very high86Confident0 Ų050.6 Ų50.60%025%0.25CC..  trans-83.671.4179.3-173.70000109.4V234 L236 Y272 L273 P274 F358 F364V234-V360 HydrophobicContact CG1-CG1 4.42Å; V234-V360 HydrophobicContact CG1-CG2 3.94Å; L236-V360 HydrophobicContact CD1-CG1 4.2Å; L236-V360 HydrophobicContact CD2-CG2 4.43Å; Y272-V360 WeakPolarHBondContact O-CB 3.26Å; Y272-V360 WeakPolarHBondContact O-CG2 3.24Å; Y272-V360 PolarHBondContact O-N 2.98Å; L273-V360 HydrophobicContact CD1-CB 4.22Å; L273-V360 HydrophobicContact CD1-CG1 4.28Å; L273-V360 HydrophobicContact CD1-CG2 4.01Å; P274-V360 VanDerWaalsContact CD-O 3.29Å; P274-V360 WeakPolarHBondContact CD-O 3.47Å; P274-V360 HydrophobicContact CG-CG1 4.31Å; F358-V360 HydrophobicContact CD1-CG2 3.85Å; F358-V360 HydrophobicContact CE1-CG2 3.67Å; V360-F364 HydrophobicContact CG1-CB 4.17Å; V360-F364 HydrophobicContact CG1-CD1 3.3Å; V360-F364 HydrophobicContact CG1-CD2 3.85Å; V360-F364 HydrophobicContact CG1-CE1 3.44Å; V360-F364 VanDerWaalsContact CG1-CE1 3.44Å; V360-F364 HydrophobicContact CG1-CE2 3.95Å; V360-F364 HydrophobicContact CG1-CG 3.51Å; V360-F364 HydrophobicContact CG1-CZ 3.77Å
361N97.2Very high88.4Confident27 Ų2748.3 Ų48.314%0.14424%0.239CC..  trans-108.619.1-177.465.5-10.5000113.4F189 Y190 R359F189-N361 CarbonylContact C-O 3.58Å; F189-N361 VanDerWaalsContact CA-O 3.27Å; F189-N361 WeakPolarHBondContact CA-O 3.37Å; Y190-N361 WeakPolarHBondContact CD2-O 3.39Å; Y190-N361 PolarHBondContact N-O 2.73Å; R359-N361 VanDerWaalsContact C-N 3.27Å; R359-N361 HydrophobicContact CG-CB 3.94Å; R359-N361 PolarHBondContact O-N 3.41Å; R359-N361 PolarHBondContact O-OD1 3.28Å
362H97.7Very high90.7Very high4 Ų441.9 Ų41.92%0.01922%0.215CC..SBendtrans-159.3166.2177.861.3-94.1000109.5F189 Y190 L236 P237 N240 F364F189-H362 VanDerWaalsContact CE2-N 3.29Å; F189-H362 VanDerWaalsContact CZ-CA 3.45Å; Y190-H362 WeakPolarHBondContact O-CA 3.36Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.47Å; L236-H362 VanDerWaalsContact CD1-NE2 3.3Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.35Å; P237-H362 PolarHBondContact O-CE1 3.44Å; P237-H362 PolarHBondContact O-NE2 3.45Å; N240-H362 HydrophobicContact CB-CB 4Å; H362-F364 VanDerWaalsContact O-CD1 3.31Å; H362-F364 WeakPolarHBondContact O-CD1 3.41Å; H362-F364 PolarHBondContact O-N 3.47Å
363P97.1Very high92.4Very high0 Ų038.3 Ų38.30%020%0.204CC..  trans-47.6135.1-173.1-32.530.9000114.9F189 Y190 L192 P237 L243 V381F189-P363 HydrophobicContact CE1-CG 4.29Å; F189-P363 HydrophobicContact CZ-CG 4.49Å; Y190-P363 WeakPolarHBondContact O-CD 3.43Å; L192-P363 HydrophobicContact CD2-CB 3.85Å; L192-P363 HydrophobicContact CD2-CG 3.63Å; L192-P363 HydrophobicContact CG-CB 4.24Å; L192-P363 HydrophobicContact CG-CG 3.69Å; P237-P363 WeakPolarHBondContact CD-O 3.23Å; L243-P363 HydrophobicContact CB-CB 3.78Å; L243-P363 HydrophobicContact CD2-CB 3.57Å; L243-P363 HydrophobicContact CG-CB 4.26Å; P363-V381 CarbonylContact C-O 3.47Å; P363-V381 WeakPolarHBondContact CA-O 3.42Å; P363-V381 WeakPolarHBondContact CB-O 3.21Å
364F97.5Very high93.9Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-146154.9-168.660-79.8000112F189 V234 L236 P274 F276 V360 H362 I366 H380 V381F189-F364 HydrophobicContact CE2-CD1 4.3Å; F189-F364 HydrophobicContact CE2-CE1 4.06Å; F189-F364 HydrophobicContact CZ-CD1 4.37Å; F189-F364 HydrophobicContact CZ-CE1 4.32Å; V234-F364 HydrophobicContact CG1-CB 4.49Å; V234-F364 HydrophobicContact CG1-CD2 3.78Å; V234-F364 HydrophobicContact CG1-CE2 4.41Å; V234-F364 HydrophobicContact CG1-CG 4.44Å; L236-F364 HydrophobicContact CD1-CB 3.89Å; P274-F364 HydrophobicContact CG-CE1 3.99Å; P274-F364 HydrophobicContact CG-CZ 4.05Å; F276-F364 HydrophobicContact CD1-CZ 4.09Å; F276-F364 HydrophobicContact CE1-CE2 4.05Å; F276-F364 AromaticContact CE1-CZ 3.69Å; F276-F364 HydrophobicContact CE1-CZ 3.69Å; F276-F364 HydrophobicContact CZ-CE2 4.25Å; F276-F364 HydrophobicContact CZ-CZ 4.23Å; V360-F364 HydrophobicContact CG1-CB 4.17Å; V360-F364 HydrophobicContact CG1-CD1 3.3Å; V360-F364 HydrophobicContact CG1-CD2 3.85Å; V360-F364 HydrophobicContact CG1-CE1 3.44Å; V360-F364 VanDerWaalsContact CG1-CE1 3.44Å; V360-F364 HydrophobicContact CG1-CE2 3.95Å; V360-F364 HydrophobicContact CG1-CG 3.51Å; V360-F364 HydrophobicContact CG1-CZ 3.77Å; H362-F364 VanDerWaalsContact O-CD1 3.31Å; H362-F364 WeakPolarHBondContact O-CD1 3.41Å; H362-F364 PolarHBondContact O-N 3.47Å; F364-I366 HydrophobicContact CD2-CG2 3.39Å; F364-I366 HydrophobicContact CE2-CG2 3.27Å; F364-H380 CarbonylContact O-C 3.54Å; F364-H380 VanDerWaalsContact O-CA 3.3Å; F364-H380 WeakPolarHBondContact O-CA 3.45Å; F364-V381 HydrophobicContact CD1-CB 4.06Å; F364-V381 HydrophobicContact CD1-CG1 4.48Å; F364-V381 HydrophobicContact CE1-CB 3.62Å; F364-V381 HydrophobicContact CE1-CG1 3.73Å; F364-V381 HydrophobicContact CE1-CG2 4.25Å; F364-V381 HydrophobicContact CE2-CB 4.18Å; F364-V381 HydrophobicContact CE2-CG2 4.02Å; F364-V381 HydrophobicContact CZ-CB 3.69Å; F364-V381 HydrophobicContact CZ-CG1 3.98Å; F364-V381 HydrophobicContact CZ-CG2 3.79Å; F364-V381 PolarHBondContact N-O 3.06Å; F364-V381 PolarHBondContact O-N 3.05Å
365F96.7Very high94.6Very high0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-89.7144.8171.1169.6-89.7000110.1Y15 V235 L243 L246 L247 M250 I256 L378 G379Y15-F365 HydrophobicContact CD1-CE2 4.35Å; Y15-F365 AromaticContact CE1-CD2 3.9Å; Y15-F365 HydrophobicContact CE1-CD2 3.9Å; Y15-F365 AromaticContact CE1-CE2 3.51Å; Y15-F365 HydrophobicContact CE1-CE2 3.51Å; Y15-F365 AromaticContact CZ-CE2 3.8Å; Y15-F365 WeakPolarHBondContact OH-CD2 3.22Å; V235-F365 HydrophobicContact CB-CB 4.21Å; V235-F365 HydrophobicContact CB-CD1 4.08Å; V235-F365 HydrophobicContact CG2-CD1 3.83Å; V235-F365 PolarHBondContact N-O 2.85Å; V235-F365 PolarHBondContact O-N 3.05Å; L243-F365 HydrophobicContact CD1-CB 4.49Å; L246-F365 HydrophobicContact CD2-CB 4.15Å; L247-F365 HydrophobicContact CD2-CB 4.35Å; L247-F365 HydrophobicContact CD2-CD2 3.94Å; M250-F365 HydrophobicContact CE-CD1 4.19Å; M250-F365 HydrophobicContact CE-CD2 4.08Å; M250-F365 HydrophobicContact CE-CE1 3.94Å; M250-F365 HydrophobicContact CE-CE2 3.84Å; M250-F365 HydrophobicContact CE-CG 4.26Å; M250-F365 HydrophobicContact CE-CZ 3.76Å; M250-F365 HydrophobicContact SD-CB 4.5Å; M250-F365 HydrophobicContact SD-CD1 4.38Å; M250-F365 HydrophobicContact SD-CD2 4.02Å; M250-F365 HydrophobicContact SD-CE2 4.37Å; M250-F365 HydrophobicContact SD-CG 4.03Å; I256-F365 HydrophobicContact CD1-CZ 3.86Å; I256-F365 HydrophobicContact CG1-CZ 4.06Å; F365-L378 HydrophobicContact CE2-CB 4.1Å; F365-L378 HydrophobicContact CZ-CB 3.94Å; F365-G379 WeakPolarHBondContact CD2-O 3.18Å; F365-G379 WeakPolarHBondContact CE2-O 3.42Å
366I95.9Very high94.9Very high0 Ų022 Ų220%012%0.118CC..EExtended strand (participates in β ladder)trans-131.2149.1174.658.9172.9000111.8F30 L232 L233 V234 F276 L278 F326 F364 L378 G379 V381F30-I366 HydrophobicContact CD2-CD1 3.81Å; F30-I366 HydrophobicContact CD2-CG1 4.27Å; F30-I366 HydrophobicContact CE2-CD1 3.81Å; F30-I366 HydrophobicContact CE2-CG1 4.29Å; L232-I366 HydrophobicContact CD1-CB 4.22Å; L233-I366 CarbonylContact O-C 3.56Å; L233-I366 VanDerWaalsContact O-CA 3.31Å; L233-I366 WeakPolarHBondContact O-CA 3.37Å; V234-I366 HydrophobicContact CG2-CG2 4.3Å; F276-I366 HydrophobicContact CE2-CD1 3.93Å; F276-I366 HydrophobicContact CZ-CD1 4.06Å; L278-I366 HydrophobicContact CD1-CD1 3.68Å; F326-I366 HydrophobicContact CD1-CD1 4.05Å; F326-I366 HydrophobicContact CE1-CD1 4.14Å; F364-I366 HydrophobicContact CD2-CG2 3.39Å; F364-I366 HydrophobicContact CE2-CG2 3.27Å; I366-L378 CarbonylContact O-C 3.55Å; I366-L378 WeakPolarHBondContact O-CA 3.26Å; I366-G379 PolarHBondContact N-O 3.45Å; I366-G379 PolarHBondContact O-N 2.7Å; I366-G379 VanDerWaalsContact O-O 3.13Å; I366-V381 HydrophobicContact CD1-CG2 4.14Å
367S96Very high94.9Very high0 Ų018.8 Ų18.80%010%0.097CC..EExtended strand (participates in β ladder)trans-150.2140.3167.7-177.20000111.5L233 I369 F377L233-S367 PolarHBondContact N-O 2.99Å; L233-S367 PolarHBondContact O-N 2.88Å; S367-I369 WeakPolarHBondContact OG-CD1 3.44Å; S367-F377 CarbonylContact C-O 3.58Å; S367-F377 WeakPolarHBondContact CA-O 3.44Å; S367-F377 WeakPolarHBondContact CB-O 3.28Å; S367-F377 PolarHBondContact OG-O 3.28Å
368I94.7Very high94.9Very high0 Ų014.5 Ų14.50%08%0.077CC..EExtended strand (participates in β ladder)trans-93113.9169.3-60.1172.8000107.1F30 F171 F225 F230 L232 F326 I376 F377F30-I368 HydrophobicContact CZ-CD1 4.08Å; F171-I368 HydrophobicContact CB-CD1 4.14Å; F171-I368 HydrophobicContact CD1-CD1 3.47Å; F171-I368 VanDerWaalsContact CD1-CD1 3.47Å; F171-I368 HydrophobicContact CD2-CD1 4.23Å; F171-I368 HydrophobicContact CD2-CG2 4.19Å; F171-I368 HydrophobicContact CE1-CD1 3.85Å; F171-I368 HydrophobicContact CE1-CG2 4.43Å; F171-I368 HydrophobicContact CE2-CG2 3.8Å; F171-I368 HydrophobicContact CG-CD1 3.68Å; F171-I368 HydrophobicContact CZ-CD1 4.37Å; F171-I368 HydrophobicContact CZ-CG2 3.93Å; F225-I368 HydrophobicContact CE2-CG2 4.43Å; F230-I368 HydrophobicContact CD1-CG2 4.3Å; L232-I368 HydrophobicContact CD1-CG1 4.19Å; F326-I368 HydrophobicContact CD2-CD1 3.7Å; F326-I368 HydrophobicContact CE2-CD1 3.64Å; F326-I368 HydrophobicContact CE2-CG1 4.39Å; F326-I368 HydrophobicContact CG-CD1 4.26Å; F326-I368 HydrophobicContact CZ-CD1 4.14Å; F326-I368 HydrophobicContact CZ-CG1 4.45Å; I368-I376 PolarHBondContact O-N 2.87Å; I368-F377 HydrophobicContact CB-CB 4.19Å; I368-F377 HydrophobicContact CB-CD2 4.06Å; I368-F377 HydrophobicContact CD1-CB 4.24Å; I368-F377 HydrophobicContact CD1-CD2 3.83Å; I368-F377 HydrophobicContact CD1-CE2 4.42Å; I368-F377 HydrophobicContact CD1-CG 4.19Å; I368-F377 HydrophobicContact CG1-CB 4.33Å; I368-F377 HydrophobicContact CG1-CD2 4.44Å; I368-F377 HydrophobicContact CG2-CD2 4.49Å; I368-F377 PolarHBondContact N-O 3.25Å; I368-F377 PolarHBondContact O-N 3.11Å
369I95.7Very high94.7Very high0 Ų014.5 Ų14.50%08%0.077CC..EExtended strand (participates in β ladder)trans-101.3131.7-175.3-49.7-62.5000109.2F230 T231 L233 I256 L260 S367 D372 L374 P375F230-I369 WeakPolarHBondContact CA-O 3.23Å; T231-I369 PolarHBondContact N-O 3.16Å; T231-I369 PolarHBondContact O-N 3Å; L233-I369 HydrophobicContact CB-CG1 3.9Å; L233-I369 HydrophobicContact CD2-CD1 4.42Å; L233-I369 HydrophobicContact CD2-CG1 4.48Å; I256-I369 HydrophobicContact CG2-CD1 4.25Å; L260-I369 HydrophobicContact CD1-CD1 4.15Å; L260-I369 HydrophobicContact CD1-CG2 4.12Å; L260-I369 HydrophobicContact CD2-CD1 3.96Å; L260-I369 HydrophobicContact CD2-CG1 3.85Å; L260-I369 HydrophobicContact CD2-CG2 4.04Å; S367-I369 WeakPolarHBondContact OG-CD1 3.44Å; I369-D372 VanDerWaalsContact CG2-C 3.44Å; I369-L374 CarbonylContact C-O 3.41Å; I369-L374 WeakPolarHBondContact CA-O 3.48Å; I369-P375 HydrophobicContact CD1-CB 4.16Å; I369-P375 HydrophobicContact CD1-CG 4.06Å
370W94.7Very high94.5Very high12 Ų1212.1 Ų12.15%0.0457%0.068CC..EExtended strand (participates in β ladder)trans-104.4132.1172.7-17959.8000111L77 D80 C81 K229 F230 D372 S373 L374 I376L77-W370 HydrophobicContact CD2-CZ3 3.99Å; D80-W370 HydrophobicContact CB-CH2 3.59Å; D80-W370 HydrophobicContact CB-CZ2 3.73Å; C81-W370 HydrophobicContact CB-CD2 4.36Å; C81-W370 HydrophobicContact CB-CE3 4.42Å; C81-W370 HydrophobicContact CB-CH2 4.3Å; C81-W370 HydrophobicContact CB-CZ2 4.23Å; C81-W370 HydrophobicContact CB-CZ3 4.38Å; K229-W370 CarbonylContact O-C 3.22Å; K229-W370 VanDerWaalsContact O-CA 3.26Å; K229-W370 WeakPolarHBondContact O-CA 3.33Å; F230-W370 HydrophobicContact CD1-CB 4.26Å; F230-W370 AromaticContact CD1-CD1 3.97Å; F230-W370 HydrophobicContact CD1-CG 4.48Å; F230-W370 HydrophobicContact CE1-CB 4.11Å; F230-W370 AromaticContact CE1-CD1 3.51Å; F230-W370 HydrophobicContact CE1-CG 4.02Å; F230-W370 AromaticContact CZ-CD1 3.55Å; F230-W370 HydrophobicContact CZ-CG 4.39Å; F230-W370 AromaticContact CZ-NE1 3.96Å; W370-D372 PolarHBondContact O-N 3.16Å; W370-S373 PolarHBondContact O-N 3.13Å; W370-L374 HydrophobicContact CE3-CB 4.36Å; W370-L374 HydrophobicContact CE3-CD2 3.85Å; W370-L374 HydrophobicContact CZ3-CD2 4.19Å; W370-L374 PolarHBondContact N-O 2.94Å; W370-L374 PolarHBondContact O-N 3.11Å; W370-I376 HydrophobicContact CB-CD1 3.79Å; W370-I376 HydrophobicContact CB-CG1 3.49Å; W370-I376 VanDerWaalsContact CB-CG1 3.49Å; W370-I376 HydrophobicContact CE3-CD1 4.28Å; W370-I376 HydrophobicContact CG-CD1 4.42Å; W370-I376 HydrophobicContact CG-CG1 4.42Å
371N92.4Very high94.3Very high71 Ų7112.1 Ų12.138%0.387%0.068SC..THydrogen-bonded Turntrans50.635.5-175.4-61.2-37.9000113.7K229 S373K229-N371 WeakPolarHBondContact CD-OD1 3.2Å; K229-N371 WeakPolarHBondContact CG-OD1 3.41Å; K229-N371 PolarHBondContact O-N 3.35Å; N371-S373 PolarHBondContact O-N 2.99Å
372D89.8Confident94Very high82 Ų8211.3 Ų11.344%0.4396%0.064SC..THydrogen-bonded Turntrans58.24.9-177.7-81.1-52.1000116.4K222 I369 W370K222-D372 IonicContact NZ-OD1 3.63Å; K222-D372 PolarHBondContact NZ-OD1 2.77Å; I369-D372 VanDerWaalsContact CG2-C 3.44Å; W370-D372 PolarHBondContact O-N 3.16Å
373S88.6Confident93.6Very high55 Ų5511.2 Ų11.239%0.3856%0.064SC..THydrogen-bonded Turntrans-124.1-32.8-173.164.70000114.3W370 N371W370-S373 PolarHBondContact O-N 3.13Å; N371-S373 PolarHBondContact O-N 2.99Å
374L91.7Very high93Very high0 Ų011.3 Ų11.30%07%0.065CC..EExtended strand (participates in β ladder)trans-114116.7-167.9-174.157.4000112.6L4 L7 F34 I369 W370 I376L4-L374 HydrophobicContact CD1-CB 4.24Å; L4-L374 HydrophobicContact CD1-CD1 3.81Å; L4-L374 HydrophobicContact CD1-CD2 3.9Å; L4-L374 HydrophobicContact CD1-CG 4.2Å; L7-L374 HydrophobicContact CD2-CD1 3.65Å; L7-L374 HydrophobicContact CD2-CD2 3.95Å; L7-L374 HydrophobicContact CD2-CG 4.35Å; L7-L374 HydrophobicContact CG-CD1 3.91Å; F34-L374 HydrophobicContact CD2-CD2 3.69Å; F34-L374 HydrophobicContact CD2-CG 4.4Å; F34-L374 HydrophobicContact CE2-CD2 3.82Å; I369-L374 CarbonylContact C-O 3.41Å; I369-L374 WeakPolarHBondContact CA-O 3.48Å; W370-L374 HydrophobicContact CE3-CB 4.36Å; W370-L374 HydrophobicContact CE3-CD2 3.85Å; W370-L374 HydrophobicContact CZ3-CD2 4.19Å; W370-L374 PolarHBondContact N-O 2.94Å; W370-L374 PolarHBondContact O-N 3.11Å; L374-I376 HydrophobicContact CD2-CD1 3.95Å; L374-I376 HydrophobicContact CG-CD1 4.03Å; L374-I376 PolarHBondContact O-N 3.06Å; L374-I376 VanDerWaalsContact O-N 3.16Å
375P93.1Very high92.4Very high3 Ų315.6 Ų15.62%0.0199%0.087CC..EExtended strand (participates in β ladder)trans-69.4106.8170.8-19.934.8000110.8T11 I256 I369T11-P375 HydrophobicContact CG2-CB 4.29Å; T11-P375 HydrophobicContact CG2-CG 4.43Å; I256-P375 HydrophobicContact CB-CG 4.04Å; I256-P375 HydrophobicContact CD1-CB 4.04Å; I256-P375 HydrophobicContact CD1-CG 3.82Å; I256-P375 HydrophobicContact CG2-CG 3.62Å; I369-P375 HydrophobicContact CD1-CB 4.16Å; I369-P375 HydrophobicContact CD1-CG 4.06Å
376I93.2Very high90.9Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-79.5-39.1173.7-54.9-58.7000110.2S32 F34 I90 I368 W370 L374S32-I376 VanDerWaalsContact CA-O 3.27Å; S32-I376 WeakPolarHBondContact CA-O 3.03Å; S32-I376 VanDerWaalsContact CB-O 3.3Å; S32-I376 WeakPolarHBondContact CB-O 3.47Å; S32-I376 PolarHBondContact OG-O 2.47Å; F34-I376 HydrophobicContact CB-CD1 4.24Å; F34-I376 HydrophobicContact CB-CG2 4.32Å; F34-I376 HydrophobicContact CD1-CD1 4.36Å; F34-I376 HydrophobicContact CD1-CG2 4.37Å; F34-I376 HydrophobicContact CD2-CD1 3.61Å; F34-I376 HydrophobicContact CE2-CD1 4.08Å; F34-I376 HydrophobicContact CG-CD1 3.81Å; F34-I376 HydrophobicContact CG-CG2 4.39Å; I90-I376 HydrophobicContact CD1-CG2 3.73Å; I368-I376 PolarHBondContact O-N 2.87Å; W370-I376 HydrophobicContact CB-CD1 3.79Å; W370-I376 HydrophobicContact CB-CG1 3.49Å; W370-I376 VanDerWaalsContact CB-CG1 3.49Å; W370-I376 HydrophobicContact CE3-CD1 4.28Å; W370-I376 HydrophobicContact CG-CD1 4.42Å; W370-I376 HydrophobicContact CG-CG1 4.42Å; L374-I376 HydrophobicContact CD2-CD1 3.95Å; L374-I376 HydrophobicContact CG-CD1 4.03Å; L374-I376 PolarHBondContact O-N 3.06Å; L374-I376 VanDerWaalsContact O-N 3.16Å
377F93Very high88.8Confident0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-131.3151.4172-60-101.6000110.3F30 L31 I90 T169 F171 A324 S367 I368F30-F377 HydrophobicContact CD1-CD1 4.14Å; F30-F377 HydrophobicContact CE1-CB 3.87Å; F30-F377 AromaticContact CE1-CD1 3.23Å; F30-F377 HydrophobicContact CE1-CD1 3.23Å; F30-F377 AromaticContact CE1-CE1 3.86Å; F30-F377 HydrophobicContact CE1-CE1 3.86Å; F30-F377 AromaticContact CE1-CG 3.79Å; F30-F377 HydrophobicContact CE1-CG 3.79Å; F30-F377 HydrophobicContact CE2-CB 3.72Å; F30-F377 HydrophobicContact CE2-CG 4.5Å; F30-F377 HydrophobicContact CZ-CB 3.25Å; F30-F377 AromaticContact CZ-CD1 3.56Å; F30-F377 HydrophobicContact CZ-CD1 3.56Å; F30-F377 HydrophobicContact CZ-CE1 4.44Å; F30-F377 AromaticContact CZ-CG 3.57Å; F30-F377 HydrophobicContact CZ-CG 3.57Å; L31-F377 VanDerWaalsContact O-CA 3.31Å; L31-F377 WeakPolarHBondContact O-CA 3.04Å; I90-F377 HydrophobicContact CD1-CE2 4.31Å; T169-F377 HydrophobicContact CG2-CE1 3.6Å; T169-F377 HydrophobicContact CG2-CE2 3.98Å; T169-F377 HydrophobicContact CG2-CZ 3.16Å; F171-F377 HydrophobicContact CB-CD2 4.28Å; F171-F377 HydrophobicContact CB-CE1 4.46Å; F171-F377 HydrophobicContact CB-CE2 3.43Å; F171-F377 VanDerWaalsContact CB-CE2 3.43Å; F171-F377 HydrophobicContact CB-CZ 3.49Å; F171-F377 VanDerWaalsContact CB-CZ 3.49Å; F171-F377 HydrophobicContact CD2-CE2 4.09Å; F171-F377 HydrophobicContact CG-CE2 4.07Å; A324-F377 HydrophobicContact CB-CD1 4.01Å; A324-F377 HydrophobicContact CB-CE1 3.89Å; S367-F377 CarbonylContact C-O 3.58Å; S367-F377 WeakPolarHBondContact CA-O 3.44Å; S367-F377 WeakPolarHBondContact CB-O 3.28Å; S367-F377 PolarHBondContact OG-O 3.28Å; I368-F377 HydrophobicContact CB-CB 4.19Å; I368-F377 HydrophobicContact CB-CD2 4.06Å; I368-F377 HydrophobicContact CD1-CB 4.24Å; I368-F377 HydrophobicContact CD1-CD2 3.83Å; I368-F377 HydrophobicContact CD1-CE2 4.42Å; I368-F377 HydrophobicContact CD1-CG 4.19Å; I368-F377 HydrophobicContact CG1-CB 4.33Å; I368-F377 HydrophobicContact CG1-CD2 4.44Å; I368-F377 HydrophobicContact CG2-CD2 4.49Å; I368-F377 PolarHBondContact N-O 3.25Å; I368-F377 PolarHBondContact O-N 3.11Å
378L94.2Very high88.5Confident0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-150.1165.4171.558.670.3000110.6T11 Y15 L31 P33 I256 F365 I366T11-L378 HydrophobicContact CG2-CD2 3.39Å; Y15-L378 HydrophobicContact CD1-CD1 4.22Å; Y15-L378 HydrophobicContact CD1-CD2 4.46Å; Y15-L378 HydrophobicContact CD2-CD1 3.16Å; Y15-L378 HydrophobicContact CD2-CG 4.48Å; Y15-L378 HydrophobicContact CE1-CD1 4.46Å; Y15-L378 HydrophobicContact CE2-CD1 3.46Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.46Å; Y15-L378 HydrophobicContact CG-CD1 3.57Å; Y15-L378 HydrophobicContact CG-CD2 4.14Å; L31-L378 HydrophobicContact CD1-CD1 3.67Å; L31-L378 HydrophobicContact CD1-CG 4.33Å; L31-L378 HydrophobicContact CG-CD1 4.11Å; L31-L378 PolarHBondContact N-O 3.27Å; L31-L378 PolarHBondContact O-N 2.83Å; P33-L378 HydrophobicContact CG-CD1 4.12Å; P33-L378 HydrophobicContact CG-CD2 3.58Å; P33-L378 HydrophobicContact CG-CG 3.56Å; I256-L378 HydrophobicContact CD1-CB 4.21Å; I256-L378 HydrophobicContact CD1-CD2 3.36Å; I256-L378 HydrophobicContact CD1-CG 4.43Å; F365-L378 HydrophobicContact CE2-CB 4.1Å; F365-L378 HydrophobicContact CZ-CB 3.94Å; I366-L378 CarbonylContact O-C 3.55Å; I366-L378 WeakPolarHBondContact O-CA 3.26Å
379G92.9Very high88.1Confident0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans162.6-166.6177.400000112.2T29 F365 I366T29-G379 CarbonylContact O-C 3.49Å; T29-G379 WeakPolarHBondContact O-CA 3.48Å; F365-G379 WeakPolarHBondContact CD2-O 3.18Å; F365-G379 WeakPolarHBondContact CE2-O 3.42Å; I366-G379 PolarHBondContact N-O 3.45Å; I366-G379 PolarHBondContact O-N 2.7Å; I366-G379 VanDerWaalsContact O-O 3.13Å
380H93.7Very high87.7Confident0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-143.9147.8179.455.8-90.8000110.9Y15 I19 W26 E27 N28 T29 L243 L247 F364Y15-H380 AromaticContact CZ-ND1 3.91Å; Y15-H380 PolarHBondContact OH-ND1 3.02Å; I19-H380 VanDerWaalsContact CD1-CE1 3.44Å; I19-H380 WeakPolarHBondContact CD1-CE1 3.35Å; W26-H380 AromaticContact CE3-NE2 3.77Å; E27-H380 PolarHBondContact O-CD2 2.68Å; E27-H380 PolarHBondContact O-NE2 3.29Å; E27-H380 VanDerWaalsContact O-NE2 3.11Å; N28-H380 WeakPolarHBondContact CA-O 3.18Å; T29-H380 VanDerWaalsContact CB-CE1 3.45Å; T29-H380 WeakPolarHBondContact CB-CE1 3.49Å; T29-H380 PolarHBondContact N-O 2.71Å; T29-H380 PolarHBondContact O-N 2.92Å; T29-H380 PolarHBondContact OG1-CE1 3.25Å; T29-H380 PolarHBondContact OG1-NE2 3.02Å; L243-H380 HydrophobicContact CD1-CB 4.09Å; L243-H380 HydrophobicContact CD2-CB 4Å; L247-H380 HydrophobicContact CD1-CB 4.16Å; L247-H380 HydrophobicContact CD2-CB 4.47Å; F364-H380 CarbonylContact O-C 3.54Å; F364-H380 VanDerWaalsContact O-CA 3.3Å; F364-H380 WeakPolarHBondContact O-CA 3.45Å
381V93.5Very high87.3Confident0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-109.8116.1177.91800000107.8N28 F276 L278 P363 F364 I366 P384N28-V381 WeakPolarHBondContact OD1-CA 3.15Å; F276-V381 HydrophobicContact CD2-CG2 4.23Å; F276-V381 HydrophobicContact CE2-CG2 4.06Å; F276-V381 HydrophobicContact CZ-CG2 4.32Å; L278-V381 HydrophobicContact CD1-CG2 4.08Å; L278-V381 HydrophobicContact CD2-CG2 4.39Å; P363-V381 CarbonylContact C-O 3.47Å; P363-V381 WeakPolarHBondContact CA-O 3.42Å; P363-V381 WeakPolarHBondContact CB-O 3.21Å; F364-V381 HydrophobicContact CD1-CB 4.06Å; F364-V381 HydrophobicContact CD1-CG1 4.48Å; F364-V381 HydrophobicContact CE1-CB 3.62Å; F364-V381 HydrophobicContact CE1-CG1 3.73Å; F364-V381 HydrophobicContact CE1-CG2 4.25Å; F364-V381 HydrophobicContact CE2-CB 4.18Å; F364-V381 HydrophobicContact CE2-CG2 4.02Å; F364-V381 HydrophobicContact CZ-CB 3.69Å; F364-V381 HydrophobicContact CZ-CG1 3.98Å; F364-V381 HydrophobicContact CZ-CG2 3.79Å; F364-V381 PolarHBondContact N-O 3.06Å; F364-V381 PolarHBondContact O-N 3.05Å; I366-V381 HydrophobicContact CD1-CG2 4.14Å; V381-P384 HydrophobicContact CG1-CG 4.24Å
382T92.4Very high87Confident11 Ų1127.9 Ų27.97%0.06715%0.151CC..SBendtrans-94.1-31.9173.964.90000111.8W26 N28 L192 L243W26-T382 HydrophobicContact CB-CG2 3.76Å; W26-T382 PolarHBondContact O-OG1 3.01Å; N28-T382 PolarHBondContact OD1-N 3.4Å; N28-T382 PolarHBondContact OD1-OG1 2.78Å; L192-T382 HydrophobicContact CD1-CG2 4.1Å; L243-T382 HydrophobicContact CD2-CG2 4.06Å
383S89.2Confident86.8Confident1 Ų124.3 Ų24.31%0.00713%0.131CC..  trans-149.7116.8176.3171.50000110.8N28 M197 L385 N386N28-S383 PolarHBondContact ND2-O 3.03Å; N28-S383 PolarHBondContact OD1-N 3.3Å; N28-S383 VanDerWaalsContact OD1-N 3.13Å; M197-S383 VanDerWaalsContact CE-OG 3.22Å; M197-S383 WeakPolarHBondContact CE-OG 3.49Å; M197-S383 PolarHBondContact SD-OG 3.2Å; S383-L385 PolarHBondContact O-N 2.83Å; S383-L385 VanDerWaalsContact O-N 3.16Å; S383-N386 WeakPolarHBondContact CB-ND2 3.34Å; S383-N386 PolarHBondContact O-N 2.92Å; S383-N386 PolarHBondContact OG-ND2 3.03Å
384P85.1Confident86.7Confident2 Ų222.1 Ų22.11%0.01311%0.113CC..THydrogen-bonded Turntrans-61.1-22.4-177.5-28.636.9000115.7F189 V199 P274 F276 V381F189-P384 HydrophobicContact CD1-CG 4.27Å; F189-P384 HydrophobicContact CD2-CG 3.68Å; F189-P384 VanDerWaalsContact CE1-CD 3.47Å; F189-P384 HydrophobicContact CE1-CG 4.16Å; F189-P384 HydrophobicContact CE2-CG 3.56Å; F189-P384 HydrophobicContact CG-CG 4.04Å; F189-P384 HydrophobicContact CZ-CG 3.81Å; V199-P384 HydrophobicContact CG1-CB 4.18Å; V199-P384 HydrophobicContact CG1-CG 4.2Å; P274-P384 HydrophobicContact CB-CB 4.17Å; P274-P384 HydrophobicContact CB-CG 4Å; P274-P384 HydrophobicContact CG-CG 4.04Å; F276-P384 HydrophobicContact CB-CB 4.04Å; V381-P384 HydrophobicContact CG1-CG 4.24Å
385L83.3Confident86.3Confident91 Ų9123.8 Ų23.848%0.47612%0.122SC..THydrogen-bonded Turntrans-95.5-12.5179.9-57.7-179.3000113.6M197 S198 V199 S383 H387M197-L385 HydrophobicContact CE-CB 3.45Å; M197-L385 VanDerWaalsContact CE-CB 3.45Å; M197-L385 HydrophobicContact CE-CD1 3.42Å; M197-L385 VanDerWaalsContact CE-CD1 3.42Å; M197-L385 HydrophobicContact CE-CG 3.32Å; S198-L385 WeakPolarHBondContact O-CD1 3.27Å; V199-L385 HydrophobicContact CG1-CG 4.3Å; S383-L385 PolarHBondContact O-N 2.83Å; S383-L385 VanDerWaalsContact O-N 3.16Å; L385-H387 PolarHBondContact O-N 2.9Å
386N65.4Low85.7Confident94 Ų9425.6 Ų25.650%0.50313%0.131SC..  trans-80.1119.7173.4-67.7-8000108.1N28 S383N28-N386 PolarHBondContact ND2-O 3.37Å; S383-N386 WeakPolarHBondContact CB-ND2 3.34Å; S383-N386 PolarHBondContact O-N 2.92Å; S383-N386 PolarHBondContact OG-ND2 3.03Å
387H53Low85.1Confident108 Ų10827.9 Ų27.950%0.514%0.142SC..  trans-88.30-171.6-69.1-44.4000115K277 R279 E280 G281 L385K277-H387 PolarHBondContact O-ND1 3.25Å; R279-H387 PolarHBondContact N-OXT 2.7Å; E280-H387 WeakPolarHBondContact CA-OXT 3.46Å; E280-H387 HydrophobicContact CB-CB 3.83Å; E280-H387 HydrophobicContact CG-CB 3.93Å; E280-H387 PolarHBondContact N-OXT 3.4Å; G281-H387 PolarHBondContact N-OXT 3.36Å; L385-H387 PolarHBondContact O-N 2.9Å

Retrieved 387 of 387 residues in 132.6 ms (Link to these results)

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