A0A077Z5A8_TRITR Loading...

Clathrin coat assembly protein ap 1

AlphaFold DB , UniProt , Accession A0A077Z5A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 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
1M65.7Low91.4Very high53 Ų5315.3 Ų15.326%0.2618%0.08SC..  0142.10-169.1-175.4-56.500106.5A79 V80 F83 M118 G121 Y122 P123M1-A79 HydrophobicContact CB-CB 4.37Å; M1-A79 HydrophobicContact CE-CB 3.43Å; M1-A79 VanDerWaalsContact CE-CB 3.43Å; M1-A79 WeakPolarHBondContact CE-O 3.27Å; M1-A79 HydrophobicContact CG-CB 4.46Å; M1-V80 HydrophobicContact CG-CG2 4.01Å; M1-F83 HydrophobicContact CE-CB 3.91Å; M1-F83 HydrophobicContact SD-CB 3.98Å; M1-F83 HydrophobicContact SD-CD1 4.49Å; M1-F83 HydrophobicContact SD-CG 4.29Å; M1-M118 HydrophobicContact SD-CE 3.84Å; M1-G121 CarbonylContact C-O 3.55Å; M1-Y122 WeakPolarHBondContact O-CE1 3.18Å; M1-P123 HydrophobicContact CE-CG 3.37Å; M1-P123 WeakPolarHBondContact SD-CD 3.47Å; M1-P123 HydrophobicContact SD-CG 3.36Å; M1-P123 WeakPolarHBondContact SD-CG 3.23Å
2S74.9Confident91.7Very high13 Ų1327.8 Ų27.89%0.09113%0.133CC..  trans-148.870.4170.172.40000110.6S4 R22 S71 S75S2-S4 PolarHBondContact O-N 3.12Å; S2-R22 PolarHBondContact OG-NH1 2.91Å; S2-S71 PolarHBondContact O-OG 2.82Å; S2-S75 PolarHBondContact N-OG 3.37Å; S2-S75 PolarHBondContact O-OG 3.44Å; S2-S75 PolarHBondContact OG-OG 3.19Å; S2-S75 VanDerWaalsContact OG-OG 3.09Å
3C91.1Very high91.9Very high0 Ų027 Ų270%014%0.137CC..  trans-62.9128.6167.2-62.70000108.4M118 G121C3-M118 HydrophobicContact CB-CE 4Å; C3-M118 HydrophobicContact CB-SD 3.91Å; C3-G121 WeakPolarHBondContact O-CA 3.5Å
4S95.1Very high92.2Very high0 Ų035.1 Ų35.10%017%0.171CC..  trans-84.3-43.6177.7-690000111.2S2 N20 Y21 R22 D24 L70S2-S4 PolarHBondContact O-N 3.12Å; S4-N20 PolarHBondContact O-OD1 2.98Å; S4-Y21 PolarHBondContact O-N 3.28Å; S4-R22 PolarHBondContact O-N 3.44Å; S4-D24 WeakPolarHBondContact CB-OD1 3.24Å; S4-D24 VanDerWaalsContact OG-CG 3.29Å; S4-D24 PolarHBondContact OG-OD1 2.97Å; S4-D24 PolarHBondContact OG-OD2 2.82Å; S4-L70 WeakPolarHBondContact CB-O 3.26Å; S4-L70 PolarHBondContact N-O 3.42Å
5A96.9Very high92.5Very high0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-152.2153.8178.300000110.2F7 R19 M27 A69 L70A5-F7 HydrophobicContact CB-CD2 4.41Å; A5-F7 HydrophobicContact CB-CE2 3.53Å; A5-F7 HydrophobicContact CB-CZ 4.05Å; A5-R19 CarbonylContact C-O 3.57Å; A5-R19 WeakPolarHBondContact CA-O 3.26Å; A5-R19 WeakPolarHBondContact CB-O 3.43Å; A5-M27 HydrophobicContact CB-CE 4.12Å; A5-M27 HydrophobicContact CB-SD 3.78Å; A5-A69 CarbonylContact O-C 3.59Å; A5-A69 WeakPolarHBondContact O-CA 3.32Å; A5-L70 PolarHBondContact O-N 2.83Å
6V97.3Very high92.8Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-126.1139.5176.8177.40000109N18 R19 Y21 L67 V68 A69 I87 F114V6-N18 CarbonylContact O-C 3.56Å; V6-N18 VanDerWaalsContact O-CA 3.26Å; V6-N18 WeakPolarHBondContact O-CA 3.36Å; V6-R19 PolarHBondContact N-O 2.99Å; V6-R19 PolarHBondContact O-N 2.87Å; V6-Y21 HydrophobicContact CB-CE2 4.08Å; V6-Y21 HydrophobicContact CG2-CD2 4.31Å; V6-Y21 HydrophobicContact CG2-CE2 3.74Å; V6-L67 HydrophobicContact CG1-CD1 3.58Å; V6-V68 CarbonylContact C-O 3.51Å; V6-V68 WeakPolarHBondContact CA-O 3.37Å; V6-A69 HydrophobicContact CG2-CB 4.37Å; V6-I87 HydrophobicContact CG1-CD1 4.04Å; V6-F114 HydrophobicContact CG1-CE1 4.08Å; V6-F114 HydrophobicContact CG1-CZ 4.45Å
7F98.1Very high93.1Very high2 Ų234.9 Ų34.91%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-134.5140.9-176.3-59.6-103.7000110.3A5 L9 V15 N18 M27 I30 L67 V68 L70A5-F7 HydrophobicContact CB-CD2 4.41Å; A5-F7 HydrophobicContact CB-CE2 3.53Å; A5-F7 HydrophobicContact CB-CZ 4.05Å; F7-L9 HydrophobicContact CB-CD2 3.99Å; F7-V15 HydrophobicContact CD1-CG1 4.12Å; F7-V15 HydrophobicContact CD1-CG2 4.15Å; F7-N18 HydrophobicContact CD1-CB 3.34Å; F7-N18 HydrophobicContact CE1-CB 3.66Å; F7-N18 HydrophobicContact CG-CB 4.01Å; F7-M27 HydrophobicContact CD1-CE 4.5Å; F7-M27 HydrophobicContact CE1-CE 3.47Å; F7-M27 VanDerWaalsContact CE1-CE 3.47Å; F7-M27 HydrophobicContact CE1-SD 4.4Å; F7-M27 HydrophobicContact CE2-CE 4.15Å; F7-M27 HydrophobicContact CZ-CE 3.25Å; F7-M27 HydrophobicContact CZ-SD 3.69Å; F7-I30 HydrophobicContact CB-CD1 4.16Å; F7-I30 HydrophobicContact CB-CG1 4.4Å; F7-I30 HydrophobicContact CD1-CB 4.16Å; F7-I30 HydrophobicContact CD1-CD1 4.17Å; F7-I30 HydrophobicContact CD1-CG1 3.75Å; F7-I30 HydrophobicContact CD1-CG2 4.38Å; F7-I30 HydrophobicContact CD2-CD1 3.88Å; F7-I30 HydrophobicContact CD2-CG1 4.36Å; F7-I30 HydrophobicContact CE1-CB 3.91Å; F7-I30 HydrophobicContact CE1-CG1 4.03Å; F7-I30 HydrophobicContact CE1-CG2 4.04Å; F7-I30 HydrophobicContact CE2-CD1 4.31Å; F7-I30 HydrophobicContact CG-CD1 3.82Å; F7-I30 HydrophobicContact CG-CG1 3.93Å; F7-I30 HydrophobicContact CZ-CB 4.16Å; F7-I30 HydrophobicContact CZ-CG1 4.46Å; F7-L67 WeakPolarHBondContact O-CA 3.35Å; F7-L67 WeakPolarHBondContact O-CD1 3.34Å; F7-V68 HydrophobicContact CB-CB 4.42Å; F7-V68 PolarHBondContact N-O 3.31Å; F7-V68 PolarHBondContact O-N 2.85Å; F7-L70 HydrophobicContact CD2-CD1 4.37Å; F7-L70 HydrophobicContact CD2-CG 4.3Å; F7-L70 HydrophobicContact CE2-CD1 3.46Å; F7-L70 VanDerWaalsContact CE2-CD1 3.46Å; F7-L70 HydrophobicContact CE2-CG 3.77Å; F7-L70 HydrophobicContact CZ-CD1 3.97Å
8F97.9Very high93.3Very high2 Ų236 Ų361%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-103.5128.8157.2-77.7-88.6000109.2I16 I17 L65 Y66 L67 I87 F91 L98 I103 F114F8-I16 PolarHBondContact O-N 2.95Å; F8-I17 HydrophobicContact CB-CG2 3.93Å; F8-I17 HydrophobicContact CD2-CG2 3.85Å; F8-I17 HydrophobicContact CG-CG2 4.31Å; F8-I17 PolarHBondContact N-O 2.9Å; F8-I17 PolarHBondContact O-N 2.94Å; F8-L65 HydrophobicContact CD1-CB 4.47Å; F8-L65 HydrophobicContact CD1-CD1 4.22Å; F8-L65 HydrophobicContact CE1-CD1 4.47Å; F8-Y66 CarbonylContact C-O 3.59Å; F8-Y66 WeakPolarHBondContact CA-O 3.39Å; F8-L67 HydrophobicContact CD1-CB 4.24Å; F8-L67 HydrophobicContact CD1-CD1 4.23Å; F8-L67 HydrophobicContact CD2-CD1 4.09Å; F8-L67 HydrophobicContact CE1-CB 4.03Å; F8-L67 HydrophobicContact CE1-CD1 3.96Å; F8-L67 HydrophobicContact CE1-CD2 4.35Å; F8-L67 HydrophobicContact CE1-CG 4.33Å; F8-L67 HydrophobicContact CE2-CD1 3.79Å; F8-L67 HydrophobicContact CG-CD1 4.3Å; F8-L67 HydrophobicContact CZ-CD1 3.74Å; F8-L67 HydrophobicContact CZ-CD2 4.21Å; F8-L67 HydrophobicContact CZ-CG 4.39Å; F8-I87 HydrophobicContact CE2-CG2 4.04Å; F8-I87 HydrophobicContact CZ-CG2 3.76Å; F8-F91 HydrophobicContact CD2-CE2 4.42Å; F8-F91 AromaticContact CE2-CD2 3.99Å; F8-F91 HydrophobicContact CE2-CD2 3.99Å; F8-F91 AromaticContact CE2-CE2 3.44Å; F8-F91 HydrophobicContact CE2-CE2 3.44Å; F8-F91 VanDerWaalsContact CE2-CE2 3.44Å; F8-F91 HydrophobicContact CE2-CZ 4.25Å; F8-F91 AromaticContact CZ-CD2 3.79Å; F8-F91 HydrophobicContact CZ-CD2 3.79Å; F8-F91 AromaticContact CZ-CE2 3.73Å; F8-F91 HydrophobicContact CZ-CE2 3.73Å; F8-L98 HydrophobicContact CE1-CD2 4.17Å; F8-L98 HydrophobicContact CZ-CD2 4.48Å; F8-I103 HydrophobicContact CB-CD1 3.76Å; F8-I103 HydrophobicContact CD1-CD1 3.48Å; F8-I103 VanDerWaalsContact CD1-CD1 3.48Å; F8-I103 HydrophobicContact CD2-CD1 4.18Å; F8-I103 HydrophobicContact CE1-CD1 4.04Å; F8-I103 HydrophobicContact CG-CD1 3.56Å; F8-F114 AromaticContact CD2-CZ 3.77Å; F8-F114 HydrophobicContact CD2-CZ 3.77Å; F8-F114 HydrophobicContact CE2-CE1 4.15Å; F8-F114 AromaticContact CE2-CZ 3.68Å; F8-F114 HydrophobicContact CE2-CZ 3.68Å
9L97.9Very high93.5Very high0 Ų038.7 Ų38.70%019%0.189CC..EExtended strand (participates in β ladder)trans-118.3151.4176.8-39.4175.5000110.7F7 K14 V15 I30 F33 L65 Y66 V68F7-L9 HydrophobicContact CB-CD2 3.99Å; L9-K14 CarbonylContact C-O 3.54Å; L9-K14 WeakPolarHBondContact CA-O 3.28Å; L9-V15 HydrophobicContact CD2-CB 4.12Å; L9-V15 HydrophobicContact CD2-CG2 3.63Å; L9-I30 HydrophobicContact CD1-CD1 4.14Å; L9-I30 HydrophobicContact CD1-CG1 4.23Å; L9-I30 HydrophobicContact CD2-CD1 4.33Å; L9-I30 HydrophobicContact CD2-CG1 3.85Å; L9-F33 HydrophobicContact CD1-CD1 3.4Å; L9-F33 HydrophobicContact CD1-CE1 3.82Å; L9-F33 HydrophobicContact CD1-CG 4.28Å; L9-L65 WeakPolarHBondContact O-CA 3.45Å; L9-Y66 PolarHBondContact N-O 2.88Å; L9-Y66 PolarHBondContact O-N 2.94Å; L9-V68 HydrophobicContact CD1-CG2 3.85Å; L9-V68 HydrophobicContact CG-CG2 4.26Å
10D96.3Very high93.7Very high10 Ų1039.5 Ų39.55%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-74.1175.6166.171.69.2000111.5K12 G13 K14 I16D10-K12 PolarHBondContact O-N 2.65Å; D10-K12 VanDerWaalsContact O-N 3.11Å; D10-K12 VanDerWaalsContact OD1-CA 3.24Å; D10-K12 WeakPolarHBondContact OD1-CA 3.15Å; D10-K12 WeakPolarHBondContact OD1-CB 3.24Å; D10-K12 PolarHBondContact OD1-N 3Å; D10-G13 PolarHBondContact O-N 3.24Å; D10-G13 PolarHBondContact OD1-N 2.9Å; D10-K14 PolarHBondContact N-O 2.88Å; D10-K14 PolarHBondContact OD1-N 2.8Å; D10-I16 HydrophobicContact CB-CD1 4.12Å; D10-I16 HydrophobicContact CB-CG1 4.33Å
11L94.7Very high93.8Very high88 Ų8838.8 Ų38.846%0.46119%0.19SC..THydrogen-bonded Turntrans-63.5-13.8176.2-66.2-178.9000114.2N64 Y66L11-N64 HydrophobicContact CD1-CB 4.17Å; L11-N64 HydrophobicContact CG-CB 4.21Å; L11-N64 WeakPolarHBondContact CG-O 3.26Å; L11-Y66 HydrophobicContact CD2-CE2 4.08Å
12K95Very high95.1Very high165 Ų16538.2 Ų38.272%0.71719%0.185SC*.THydrogen-bonded Turntrans-94.94.2176-58.9176-177.3172.60111.9D10 K14 L34D10-K12 PolarHBondContact O-N 2.65Å; D10-K12 VanDerWaalsContact O-N 3.11Å; D10-K12 VanDerWaalsContact OD1-CA 3.24Å; D10-K12 WeakPolarHBondContact OD1-CA 3.15Å; D10-K12 WeakPolarHBondContact OD1-CB 3.24Å; D10-K12 PolarHBondContact OD1-N 3Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 3.23Å; K12-L34 VanDerWaalsContact C-CD2 3.4Å; K12-L34 VanDerWaalsContact O-CD2 3.27Å; K12-L34 WeakPolarHBondContact O-CD2 3.44Å
13G93.9Very high96Very high18 Ų1840.3 Ų40.319%0.18621%0.208CC..  trans77.110.7178.900000114.2D10D10-G13 PolarHBondContact O-N 3.24Å; D10-G13 PolarHBondContact OD1-N 2.9Å
14K95.9Very high96.1Very high141 Ų14142.1 Ų42.161%0.61322%0.218SC*.  trans-79.3136.2176.4-64-173.9174.1-171.50110.3L9 D10 K12 I16L9-K14 CarbonylContact C-O 3.54Å; L9-K14 WeakPolarHBondContact CA-O 3.28Å; D10-K14 PolarHBondContact N-O 2.88Å; D10-K14 PolarHBondContact OD1-N 2.8Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 3.23Å; K14-I16 PolarHBondContact O-N 2.79Å
15V97.3Very high96Very high60 Ų6042.8 Ų42.836%0.36422%0.222SC..EExtended strand (participates in β ladder)trans-67.3120176.4-176.40000109.9F7 L9 N18 I30F7-V15 HydrophobicContact CD1-CG1 4.12Å; F7-V15 HydrophobicContact CD1-CG2 4.15Å; L9-V15 HydrophobicContact CD2-CB 4.12Å; L9-V15 HydrophobicContact CD2-CG2 3.63Å; V15-N18 HydrophobicContact CG1-CB 3.99Å; V15-I30 HydrophobicContact CG2-CG1 4.21Å; V15-I30 HydrophobicContact CG2-CG2 3.68Å
16I96.9Very high95.9Very high37 Ų3747.5 Ų47.519%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-86.9-49.8172-55.3163.9000109F8 D10 K14 L65 E100 I103 R104F8-I16 PolarHBondContact O-N 2.95Å; D10-I16 HydrophobicContact CB-CD1 4.12Å; D10-I16 HydrophobicContact CB-CG1 4.33Å; K14-I16 PolarHBondContact O-N 2.79Å; I16-L65 HydrophobicContact CD1-CD2 3.35Å; I16-E100 HydrophobicContact CD1-CB 4.25Å; I16-E100 HydrophobicContact CD1-CG 3.83Å; I16-E100 HydrophobicContact CG1-CG 4.48Å; I16-I103 HydrophobicContact CB-CG2 4.34Å; I16-I103 HydrophobicContact CG2-CB 4.04Å; I16-I103 HydrophobicContact CG2-CG2 3.48Å; I16-I103 VanDerWaalsContact CG2-CG2 3.48Å; I16-R104 HydrophobicContact CG2-CG 4.05Å
17I97.4Very high95.8Very high5 Ų549.5 Ų49.53%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-150.5153.2176.1-166.4160.5000109.9F8 I103 F107 I110 Y111 F114F8-I17 HydrophobicContact CB-CG2 3.93Å; F8-I17 HydrophobicContact CD2-CG2 3.85Å; F8-I17 HydrophobicContact CG-CG2 4.31Å; F8-I17 PolarHBondContact N-O 2.9Å; F8-I17 PolarHBondContact O-N 2.94Å; I17-I103 HydrophobicContact CB-CG2 4.12Å; I17-I103 HydrophobicContact CG2-CG2 3.54Å; I17-F107 HydrophobicContact CD1-CB 4.32Å; I17-I110 HydrophobicContact CD1-CB 4.07Å; I17-I110 HydrophobicContact CD1-CG2 3.63Å; I17-I110 HydrophobicContact CG2-CG2 4.3Å; I17-Y111 HydrophobicContact CD1-CD1 4.22Å; I17-Y111 HydrophobicContact CD1-CD2 3.8Å; I17-Y111 HydrophobicContact CD1-CE1 3.98Å; I17-Y111 HydrophobicContact CD1-CE2 3.52Å; I17-Y111 HydrophobicContact CD1-CG 4.13Å; I17-Y111 HydrophobicContact CG1-CD1 4.5Å; I17-Y111 HydrophobicContact CG1-CE1 3.85Å; I17-Y111 HydrophobicContact CG1-CE2 3.99Å; I17-F114 HydrophobicContact CD1-CE2 4.37Å; I17-F114 HydrophobicContact CG1-CE2 4.11Å; I17-F114 HydrophobicContact CG2-CE2 4.01Å; I17-F114 HydrophobicContact CG2-CZ 4.44Å
18N97Very high95.6Very high54 Ų5454.1 Ų54.129%0.28928%0.282SS..EExtended strand (participates in β ladder)trans-149.2155.8179.167.187.9000111.8V6 F7 V15 M27 Y111V6-N18 CarbonylContact O-C 3.56Å; V6-N18 VanDerWaalsContact O-CA 3.26Å; V6-N18 WeakPolarHBondContact O-CA 3.36Å; F7-N18 HydrophobicContact CD1-CB 3.34Å; F7-N18 HydrophobicContact CE1-CB 3.66Å; F7-N18 HydrophobicContact CG-CB 4.01Å; V15-N18 HydrophobicContact CG1-CB 3.99Å; N18-M27 HydrophobicContact CB-CE 3.98Å; N18-M27 WeakPolarHBondContact OD1-CE 3.32Å; N18-Y111 WeakPolarHBondContact O-CE1 3.34Å
19R97.2Very high95.5Very high88 Ų8854.7 Ų54.733%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-135.2128.3170.4-170.965.1173.9148.2-5.8110.7A5 V6 Y21 F114 D115A5-R19 CarbonylContact C-O 3.57Å; A5-R19 WeakPolarHBondContact CA-O 3.26Å; A5-R19 WeakPolarHBondContact CB-O 3.43Å; V6-R19 PolarHBondContact N-O 2.99Å; V6-R19 PolarHBondContact O-N 2.87Å; R19-Y21 HydrophobicContact CB-CE2 4.03Å; R19-Y21 HydrophobicContact CG-CD1 4.21Å; R19-Y21 HydrophobicContact CG-CD2 4.45Å; R19-Y21 HydrophobicContact CG-CE1 3.7Å; R19-Y21 HydrophobicContact CG-CE2 3.97Å; R19-F114 HydrophobicContact CB-CB 4.07Å; R19-F114 HydrophobicContact CB-CD1 4.47Å; R19-F114 HydrophobicContact CB-CD2 3.96Å; R19-F114 HydrophobicContact CB-CE2 4.49Å; R19-F114 HydrophobicContact CB-CG 3.95Å; R19-F114 HydrophobicContact CG-CB 4.02Å; R19-F114 HydrophobicContact CG-CG 4.45Å; R19-D115 IonicContact CZ-OD1 3.18Å; R19-D115 IonicContact CZ-OD2 2.66Å; R19-D115 IonicContact NE-OD1 2.66Å; R19-D115 PolarHBondContact NE-OD1 3.01Å; R19-D115 VanDerWaalsContact NH2-CG 3.31Å; R19-D115 IonicContact NH2-OD1 3.42Å; R19-D115 PolarHBondContact NH2-OD1 2.86Å; R19-D115 IonicContact NH2-OD2 2.99Å; R19-D115 PolarHBondContact NH2-OD2 3.34Å
20N96.9Very high95.4Very high54 Ų5455.1 Ų55.129%0.28929%0.287SS..EExtended strand (participates in β ladder)trans-97.8118.8172.6-169.3-8.8000109.6S4 R22 G23 M27S4-N20 PolarHBondContact O-OD1 2.98Å; N20-R22 PolarHBondContact OD1-N 3.05Å; N20-G23 PolarHBondContact OD1-N 3.07Å; N20-M27 HydrophobicContact CB-CE 3.99Å; N20-M27 HydrophobicContact CB-SD 3.72Å
21Y96.4Very high95.4Very high24 Ų2461.2 Ų61.29%0.09432%0.315CS..SBendtrans-97.2-22.4-176.6-67.7-73000113.4S4 V6 R19 F114 M118 F120S4-Y21 PolarHBondContact O-N 3.28Å; V6-Y21 HydrophobicContact CB-CE2 4.08Å; V6-Y21 HydrophobicContact CG2-CD2 4.31Å; V6-Y21 HydrophobicContact CG2-CE2 3.74Å; R19-Y21 HydrophobicContact CB-CE2 4.03Å; R19-Y21 HydrophobicContact CG-CD1 4.21Å; R19-Y21 HydrophobicContact CG-CD2 4.45Å; R19-Y21 HydrophobicContact CG-CE1 3.7Å; R19-Y21 HydrophobicContact CG-CE2 3.97Å; Y21-F114 WeakPolarHBondContact CE1-O 3.39Å; Y21-F114 WeakPolarHBondContact OH-CD1 3.39Å; Y21-F114 PolarHBondContact OH-O 2.93Å; Y21-M118 HydrophobicContact CD1-CB 4.32Å; Y21-M118 HydrophobicContact CD1-CG 3.83Å; Y21-M118 HydrophobicContact CD1-SD 4.28Å; Y21-M118 HydrophobicContact CD2-CG 4.23Å; Y21-M118 HydrophobicContact CD2-SD 3.58Å; Y21-M118 VanDerWaalsContact CD2-SD 3.58Å; Y21-M118 HydrophobicContact CE1-CB 3.73Å; Y21-M118 HydrophobicContact CE1-CG 3.74Å; Y21-M118 WeakPolarHBondContact CE1-O 3.26Å; Y21-M118 HydrophobicContact CE1-SD 4.27Å; Y21-M118 HydrophobicContact CE2-CB 4.42Å; Y21-M118 HydrophobicContact CE2-CG 4.14Å; Y21-M118 HydrophobicContact CE2-SD 3.56Å; Y21-M118 VanDerWaalsContact CE2-SD 3.56Å; Y21-M118 HydrophobicContact CG-CG 4.07Å; Y21-M118 HydrophobicContact CG-SD 3.95Å; Y21-F120 WeakPolarHBondContact O-CD2 3.5Å
22R93.9Very high95.5Very high42 Ų4262.3 Ų62.316%0.15832%0.316CS..SBendtrans-127.1-22.7-171.4-62-171.181170.721.5115.4S2 S4 N20 D24 K73 F120S2-R22 PolarHBondContact OG-NH1 2.91Å; S4-R22 PolarHBondContact O-N 3.44Å; N20-R22 PolarHBondContact OD1-N 3.05Å; R22-D24 HydrophobicContact CB-CB 4.4Å; R22-D24 VanDerWaalsContact CB-OD1 3.32Å; R22-D24 WeakPolarHBondContact CB-OD1 3.46Å; R22-D24 IonicContact CZ-OD2 3.83Å; R22-D24 IonicContact NE-OD2 3.72Å; R22-D24 IonicContact NH1-OD2 3.58Å; R22-D24 PolarHBondContact O-N 2.84Å; R22-K73 VanDerWaalsContact NH2-NZ 3.18Å; R22-F120 HydrophobicContact CB-CE2 4.19Å; R22-F120 HydrophobicContact CG-CD2 4.05Å; R22-F120 HydrophobicContact CG-CE2 4.06Å
23G92.9Very high95.5Very high57 Ų5754.5 Ų54.559%0.58828%0.282SS*.SBendtrans68.213-174.200000114.6N20N20-G23 PolarHBondContact OD1-N 3.07Å
24D93.1Very high95.6Very high37 Ų3754.9 Ų54.920%0.19828%0.28CS..  trans-97.6-0.1-174.566.7-16.2000114.4S4 R22 R72S4-D24 WeakPolarHBondContact CB-OD1 3.24Å; S4-D24 VanDerWaalsContact OG-CG 3.29Å; S4-D24 PolarHBondContact OG-OD1 2.97Å; S4-D24 PolarHBondContact OG-OD2 2.82Å; R22-D24 HydrophobicContact CB-CB 4.4Å; R22-D24 VanDerWaalsContact CB-OD1 3.32Å; R22-D24 WeakPolarHBondContact CB-OD1 3.46Å; R22-D24 IonicContact CZ-OD2 3.83Å; R22-D24 IonicContact NE-OD2 3.72Å; R22-D24 IonicContact NH1-OD2 3.58Å; R22-D24 PolarHBondContact O-N 2.84Å; D24-R72 WeakPolarHBondContact O-CD 3.24Å
25V92.7Very high95.6Very high14 Ų1451.7 Ų51.79%0.08527%0.274CS..SBendtrans-129.1139.9176.6179.90000109.1M27 L29 A55 L70 R72V25-M27 PolarHBondContact O-N 2.9Å; V25-L29 HydrophobicContact CG1-CB 4.44Å; V25-L29 HydrophobicContact CG1-CD2 3.79Å; V25-A55 HydrophobicContact CG1-CB 4.22Å; V25-A55 HydrophobicContact CG2-CB 4.36Å; V25-L70 HydrophobicContact CG1-CB 4.35Å; V25-L70 HydrophobicContact CG1-CD1 3.74Å; V25-R72 HydrophobicContact CG2-CB 4Å
26D94.3Very high95.5Very high100 Ų10050.4 Ų50.454%0.53526%0.264SS..  trans-69126.3170.9-176.7-0.4000109.7N28 L29D26-N28 PolarHBondContact O-N 2.84Å; D26-N28 PolarHBondContact OD1-N 2.9Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å; D26-L29 WeakPolarHBondContact O-CB 3.19Å; D26-L29 PolarHBondContact O-N 2.82Å; D26-L29 VanDerWaalsContact O-N 3.09Å
27M95.2Very high95.4Very high41 Ų4149 Ų4920%0.20226%0.257CS..G310 helixtrans-65.7-25.2-179.2-61.6-60.5-76.800112.3A5 F7 N18 N20 V25 L29 I30A5-M27 HydrophobicContact CB-CE 4.12Å; A5-M27 HydrophobicContact CB-SD 3.78Å; F7-M27 HydrophobicContact CD1-CE 4.5Å; F7-M27 HydrophobicContact CE1-CE 3.47Å; F7-M27 VanDerWaalsContact CE1-CE 3.47Å; F7-M27 HydrophobicContact CE1-SD 4.4Å; F7-M27 HydrophobicContact CE2-CE 4.15Å; F7-M27 HydrophobicContact CZ-CE 3.25Å; F7-M27 HydrophobicContact CZ-SD 3.69Å; N18-M27 HydrophobicContact CB-CE 3.98Å; N18-M27 WeakPolarHBondContact OD1-CE 3.32Å; N20-M27 HydrophobicContact CB-CE 3.99Å; N20-M27 HydrophobicContact CB-SD 3.72Å; V25-M27 PolarHBondContact O-N 2.9Å; M27-L29 PolarHBondContact O-N 2.91Å; M27-I30 WeakPolarHBondContact O-CG2 3.32Å; M27-I30 PolarHBondContact O-N 2.85Å
28N95.3Very high95.2Very high100 Ų10053.3 Ų53.354%0.53528%0.279SS..G310 helixtrans-70.3-15.4175.9-61-40.7000112.9D26 I30 E31D26-N28 PolarHBondContact O-N 2.84Å; D26-N28 PolarHBondContact OD1-N 2.9Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å; N28-I30 PolarHBondContact O-N 2.95Å; N28-I30 VanDerWaalsContact O-N 3.09Å; N28-E31 WeakPolarHBondContact O-CB 3.44Å; N28-E31 WeakPolarHBondContact O-CG 3.43Å; N28-E31 PolarHBondContact O-N 2.92Å; N28-E31 VanDerWaalsContact O-N 3.1Å
29L95.1Very high95Very high13 Ų1355.1 Ų55.17%0.06829%0.285CS..G310 helixtrans-58.5-24.6175.8-176.359.5000112.2V25 D26 M27 E31 K32 H52 D54 A55 F57V25-L29 HydrophobicContact CG1-CB 4.44Å; V25-L29 HydrophobicContact CG1-CD2 3.79Å; D26-L29 WeakPolarHBondContact O-CB 3.19Å; D26-L29 PolarHBondContact O-N 2.82Å; D26-L29 VanDerWaalsContact O-N 3.09Å; M27-L29 PolarHBondContact O-N 2.91Å; L29-E31 PolarHBondContact O-N 3.32Å; L29-E31 VanDerWaalsContact O-N 3.17Å; L29-K32 HydrophobicContact CD1-CG 4.2Å; L29-K32 WeakPolarHBondContact O-CB 3.48Å; L29-K32 PolarHBondContact O-N 2.88Å; L29-H52 WeakPolarHBondContact CD1-ND1 3.41Å; L29-D54 HydrophobicContact CD1-CB 4.31Å; L29-D54 HydrophobicContact CD2-CB 3.87Å; L29-A55 HydrophobicContact CD2-CB 3.43Å; L29-A55 VanDerWaalsContact CD2-CB 3.43Å; L29-F57 HydrophobicContact CD1-CZ 4.32Å; L29-F57 HydrophobicContact CD2-CZ 4.41Å; L29-F57 HydrophobicContact CG-CZ 3.86Å
30I97.1Very high94.8Very high9 Ų954 Ų545%0.04628%0.283CS..G310 helixtrans-58.1-26.8177.1-162.460.2000113.1F7 L9 V15 M27 N28 K32 F33 F57 V68F7-I30 HydrophobicContact CB-CD1 4.16Å; F7-I30 HydrophobicContact CB-CG1 4.4Å; F7-I30 HydrophobicContact CD1-CB 4.16Å; F7-I30 HydrophobicContact CD1-CD1 4.17Å; F7-I30 HydrophobicContact CD1-CG1 3.75Å; F7-I30 HydrophobicContact CD1-CG2 4.38Å; F7-I30 HydrophobicContact CD2-CD1 3.88Å; F7-I30 HydrophobicContact CD2-CG1 4.36Å; F7-I30 HydrophobicContact CE1-CB 3.91Å; F7-I30 HydrophobicContact CE1-CG1 4.03Å; F7-I30 HydrophobicContact CE1-CG2 4.04Å; F7-I30 HydrophobicContact CE2-CD1 4.31Å; F7-I30 HydrophobicContact CG-CD1 3.82Å; F7-I30 HydrophobicContact CG-CG1 3.93Å; F7-I30 HydrophobicContact CZ-CB 4.16Å; F7-I30 HydrophobicContact CZ-CG1 4.46Å; L9-I30 HydrophobicContact CD1-CD1 4.14Å; L9-I30 HydrophobicContact CD1-CG1 4.23Å; L9-I30 HydrophobicContact CD2-CD1 4.33Å; L9-I30 HydrophobicContact CD2-CG1 3.85Å; V15-I30 HydrophobicContact CG2-CG1 4.21Å; V15-I30 HydrophobicContact CG2-CG2 3.68Å; M27-I30 WeakPolarHBondContact O-CG2 3.32Å; M27-I30 PolarHBondContact O-N 2.85Å; N28-I30 PolarHBondContact O-N 2.95Å; N28-I30 VanDerWaalsContact O-N 3.09Å; I30-K32 PolarHBondContact O-N 2.79Å; I30-K32 VanDerWaalsContact O-N 3.15Å; I30-F33 HydrophobicContact CD1-CB 4.2Å; I30-F33 WeakPolarHBondContact O-CB 3.41Å; I30-F33 PolarHBondContact O-N 2.86Å; I30-F57 HydrophobicContact CD1-CE1 4.43Å; I30-V68 HydrophobicContact CD1-CB 4.23Å; I30-V68 HydrophobicContact CD1-CG1 4.01Å
31E95.6Very high94.6Very high139 Ų13956.9 Ų56.965%0.6530%0.295SS*.G310 helixtrans-63.8-20.1177.4-63.2-176.9168.800112.9N28 L29 P35N28-E31 WeakPolarHBondContact O-CB 3.44Å; N28-E31 WeakPolarHBondContact O-CG 3.43Å; N28-E31 PolarHBondContact O-N 2.92Å; N28-E31 VanDerWaalsContact O-N 3.1Å; L29-E31 PolarHBondContact O-N 3.32Å; L29-E31 VanDerWaalsContact O-N 3.17Å; E31-P35 WeakPolarHBondContact O-CD 3.31Å
32K95.5Very high94.4Very high111 Ų11164 Ų6448%0.48333%0.329SS..G310 helixtrans-81.9-14.5175.6-56.4-56.1-177.2-172.50113.3L29 I30 L36 F57L29-K32 HydrophobicContact CD1-CG 4.2Å; L29-K32 WeakPolarHBondContact O-CB 3.48Å; L29-K32 PolarHBondContact O-N 2.88Å; I30-K32 PolarHBondContact O-N 2.79Å; I30-K32 VanDerWaalsContact O-N 3.15Å; K32-L36 HydrophobicContact CB-CD1 4.43Å; K32-L36 WeakPolarHBondContact O-CD1 3.36Å; K32-L36 VanDerWaalsContact O-CG 3.23Å; K32-L36 WeakPolarHBondContact O-CG 3.44Å; K32-L36 PolarHBondContact O-N 2.9Å; K32-F57 HydrophobicContact CB-CZ 4.48Å
33F96.8Very high94.4Very high1 Ų166.9 Ų66.90%0.00434%0.344CS..Hα-helixtrans-60.6-58.3-174.3171-107.2000112.8L9 I30 L36 V37 L50 F57 Y59 Y66 V68L9-F33 HydrophobicContact CD1-CD1 3.4Å; L9-F33 HydrophobicContact CD1-CE1 3.82Å; L9-F33 HydrophobicContact CD1-CG 4.28Å; I30-F33 HydrophobicContact CD1-CB 4.2Å; I30-F33 WeakPolarHBondContact O-CB 3.41Å; I30-F33 PolarHBondContact O-N 2.86Å; F33-L36 WeakPolarHBondContact O-CB 3.44Å; F33-L36 PolarHBondContact O-N 2.86Å; F33-V37 HydrophobicContact CD1-CG2 4.38Å; F33-V37 HydrophobicContact CD2-CG2 4.11Å; F33-V37 HydrophobicContact CE1-CG2 3.92Å; F33-V37 HydrophobicContact CE2-CG2 3.6Å; F33-V37 HydrophobicContact CG-CG2 4.47Å; F33-V37 HydrophobicContact CZ-CG2 3.5Å; F33-V37 WeakPolarHBondContact O-CG2 3.41Å; F33-V37 PolarHBondContact O-N 2.82Å; F33-L50 HydrophobicContact CD2-CD1 4.03Å; F33-L50 HydrophobicContact CE2-CD1 3.94Å; F33-F57 HydrophobicContact CB-CD1 3.94Å; F33-F57 HydrophobicContact CB-CE1 3.79Å; F33-F57 HydrophobicContact CD2-CB 4.2Å; F33-F57 AromaticContact CD2-CD1 3.75Å; F33-F57 HydrophobicContact CD2-CD1 3.75Å; F33-F57 HydrophobicContact CD2-CE1 4.46Å; F33-F57 HydrophobicContact CD2-CG 4.18Å; F33-F57 HydrophobicContact CG-CD1 4.26Å; F33-Y59 AromaticContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD2 4.4Å; F33-Y59 HydrophobicContact CE2-CE1 4.25Å; F33-Y59 AromaticContact CE2-CG 3.64Å; F33-Y59 HydrophobicContact CE2-CG 3.64Å; F33-Y59 AromaticContact CZ-CD1 3.93Å; F33-Y59 HydrophobicContact CZ-CD1 3.93Å; F33-Y59 AromaticContact CZ-CD2 3.92Å; F33-Y59 HydrophobicContact CZ-CD2 3.92Å; F33-Y59 AromaticContact CZ-CG 3.57Å; F33-Y59 HydrophobicContact CZ-CG 3.57Å; F33-Y66 AromaticContact CE1-CD1 3.92Å; F33-Y66 HydrophobicContact CE1-CD1 3.92Å; F33-Y66 HydrophobicContact CE1-CE1 4.49Å; F33-Y66 AromaticContact CE1-CG 3.95Å; F33-Y66 HydrophobicContact CE1-CG 3.95Å; F33-Y66 AromaticContact CZ-CD1 3.92Å; F33-Y66 HydrophobicContact CZ-CD1 3.92Å; F33-Y66 HydrophobicContact CZ-CE1 4.47Å; F33-Y66 HydrophobicContact CZ-CG 4.36Å; F33-V68 HydrophobicContact CD1-CG2 4.1Å; F33-V68 HydrophobicContact CD2-CG1 4.11Å; F33-V68 HydrophobicContact CD2-CG2 4.29Å; F33-V68 HydrophobicContact CE1-CG2 3.76Å; F33-V68 HydrophobicContact CE2-CG1 4.22Å; F33-V68 HydrophobicContact CE2-CG2 3.97Å; F33-V68 HydrophobicContact CG-CG2 4.35Å; F33-V68 HydrophobicContact CZ-CG2 3.68Å
34L95.6Very high94.3Very high26 Ų2667.2 Ų67.214%0.13635%0.348CS..Hα-helixtrans-65.4-41.8-173.8-174.167000112.9K12 L36 V37 M38K12-L34 VanDerWaalsContact C-CD2 3.4Å; K12-L34 VanDerWaalsContact O-CD2 3.27Å; K12-L34 WeakPolarHBondContact O-CD2 3.44Å; L34-L36 VanDerWaalsContact C-N 3.28Å; L34-L36 PolarHBondContact O-N 2.92Å; L34-V37 PolarHBondContact O-N 2.79Å; L34-V37 VanDerWaalsContact O-N 3.16Å; L34-M38 HydrophobicContact CD1-CE 4.43Å; L34-M38 HydrophobicContact CD2-CE 4.19Å; L34-M38 HydrophobicContact CG-CE 4.2Å; L34-M38 HydrophobicContact CG-CG 4.48Å; L34-M38 HydrophobicContact CG-SD 4.28Å; L34-M38 WeakPolarHBondContact O-CG 3.37Å; L34-M38 PolarHBondContact O-N 2.79Å
35P95.2Very high94.2Very high74 Ų7469.1 Ų69.148%0.48136%0.363SS..Hα-helixtrans-54.8-41.8171.5-28.435.9000113.4E31 M38 E39E31-P35 WeakPolarHBondContact O-CD 3.31Å; P35-M38 PolarHBondContact O-N 3.46Å; P35-E39 WeakPolarHBondContact O-CB 3.42Å; P35-E39 PolarHBondContact O-N 2.87Å
36L94.8Very high94.1Very high32 Ų3273.4 Ų73.417%0.16838%0.384CS..Hα-helixtrans-68.3-36.7177.3-70.2170000112.6K32 F33 L34 K40 L50 H52 F57K32-L36 HydrophobicContact CB-CD1 4.43Å; K32-L36 WeakPolarHBondContact O-CD1 3.36Å; K32-L36 VanDerWaalsContact O-CG 3.23Å; K32-L36 WeakPolarHBondContact O-CG 3.44Å; K32-L36 PolarHBondContact O-N 2.9Å; F33-L36 WeakPolarHBondContact O-CB 3.44Å; F33-L36 PolarHBondContact O-N 2.86Å; L34-L36 VanDerWaalsContact C-N 3.28Å; L34-L36 PolarHBondContact O-N 2.92Å; L36-K40 WeakPolarHBondContact O-CG 3.39Å; L36-K40 PolarHBondContact O-N 2.68Å; L36-K40 VanDerWaalsContact O-N 3.09Å; L36-L50 HydrophobicContact CB-CD1 4.02Å; L36-H52 HydrophobicContact CD1-CB 4.29Å; L36-F57 HydrophobicContact CD1-CE2 4.11Å
37V94.7Very high94Very high7 Ų770.3 Ų70.34%0.04237%0.373CS..Hα-helixtrans-61.6-47.9173.4174.30000110F33 L34 K40 E41 L50 Y59F33-V37 HydrophobicContact CD1-CG2 4.38Å; F33-V37 HydrophobicContact CD2-CG2 4.11Å; F33-V37 HydrophobicContact CE1-CG2 3.92Å; F33-V37 HydrophobicContact CE2-CG2 3.6Å; F33-V37 HydrophobicContact CG-CG2 4.47Å; F33-V37 HydrophobicContact CZ-CG2 3.5Å; F33-V37 WeakPolarHBondContact O-CG2 3.41Å; F33-V37 PolarHBondContact O-N 2.82Å; L34-V37 PolarHBondContact O-N 2.79Å; L34-V37 VanDerWaalsContact O-N 3.16Å; V37-K40 PolarHBondContact O-N 2.85Å; V37-E41 WeakPolarHBondContact O-CB 3.46Å; V37-E41 PolarHBondContact O-N 2.98Å; V37-L50 HydrophobicContact CB-CD1 4.46Å; V37-L50 HydrophobicContact CG2-CD1 3.52Å; V37-Y59 HydrophobicContact CG2-CE1 4.38Å
38M93.9Very high94Very high96 Ų9671.7 Ų71.747%0.47339%0.385SS..Hα-helixtrans-63-45-179.8-71.8178.3159.400111.9L34 P35 K40 E41 E42L34-M38 HydrophobicContact CD1-CE 4.43Å; L34-M38 HydrophobicContact CD2-CE 4.19Å; L34-M38 HydrophobicContact CG-CE 4.2Å; L34-M38 HydrophobicContact CG-CG 4.48Å; L34-M38 HydrophobicContact CG-SD 4.28Å; L34-M38 WeakPolarHBondContact O-CG 3.37Å; L34-M38 PolarHBondContact O-N 2.79Å; P35-M38 PolarHBondContact O-N 3.46Å; M38-K40 VanDerWaalsContact C-N 3.33Å; M38-K40 PolarHBondContact O-N 3.45Å; M38-E41 PolarHBondContact O-N 2.95Å; M38-E41 VanDerWaalsContact O-N 3.17Å; M38-E42 WeakPolarHBondContact O-CG 3.17Å; M38-E42 PolarHBondContact O-N 3.1Å
39E93.8Very high94Very high92 Ų9268.5 Ų68.543%0.4337%0.367SS..Hα-helixtrans-56-46.8174.3-177-173156.900111.2P35 E41 E42 E43P35-E39 WeakPolarHBondContact O-CB 3.42Å; P35-E39 PolarHBondContact O-N 2.87Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 2.81Å; E39-E42 PolarHBondContact O-N 2.98Å; E39-E43 WeakPolarHBondContact O-CG 3.4Å; E39-E43 PolarHBondContact O-N 2.95Å
40K92.9Very high94.1Very high65 Ų6568.3 Ų68.328%0.28337%0.366SS..Hα-helixtrans-69.4-30.2178.7-69.4-69157.1-143.30113.5L36 V37 M38 E43 G44 C45 I46 L50L36-K40 WeakPolarHBondContact O-CG 3.39Å; L36-K40 PolarHBondContact O-N 2.68Å; L36-K40 VanDerWaalsContact O-N 3.09Å; V37-K40 PolarHBondContact O-N 2.85Å; M38-K40 VanDerWaalsContact C-N 3.33Å; M38-K40 PolarHBondContact O-N 3.45Å; K40-E43 IonicContact NZ-OE1 3.23Å; K40-E43 IonicContact NZ-OE2 3.94Å; K40-E43 PolarHBondContact NZ-OE2 3.29Å; K40-G44 PolarHBondContact O-N 3.33Å; K40-C45 HydrophobicContact CD-CB 4.46Å; K40-C45 CarbonylContact O-C 3.57Å; K40-C45 PolarHBondContact O-N 2.9Å; K40-I46 PolarHBondContact O-N 3.02Å; K40-L50 HydrophobicContact CB-CD2 4.5Å; K40-L50 HydrophobicContact CG-CD2 3.88Å
41E92.2Very high93.9Very high114 Ų11476 Ų7653%0.53340%0.396SS..Hα-helixtrans-69.7-43.6174.6-177.7164.9-155.200111.4V37 M38 E39 E43 G44 I46V37-E41 WeakPolarHBondContact O-CB 3.46Å; V37-E41 PolarHBondContact O-N 2.98Å; M38-E41 PolarHBondContact O-N 2.95Å; M38-E41 VanDerWaalsContact O-N 3.17Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 2.81Å; E41-E43 VanDerWaalsContact C-N 3.33Å; E41-E43 PolarHBondContact O-N 3.42Å; E41-G44 PolarHBondContact O-N 3.16Å; E41-I46 HydrophobicContact CB-CD1 4.29Å; E41-I46 HydrophobicContact CB-CG1 4.09Å; E41-I46 HydrophobicContact CG-CD1 4.02Å; E41-I46 HydrophobicContact CG-CG1 4.36Å
42E92.6Very high93.8Very high174 Ų17472.1 Ų72.181%0.81338%0.378SS*.Hα-helixtrans-63.4-37.3174.6-71.7177.3-175.400112.4M38 E39 G44M38-E42 WeakPolarHBondContact O-CG 3.17Å; M38-E42 PolarHBondContact O-N 3.1Å; E39-E42 PolarHBondContact O-N 2.98Å; E42-G44 PolarHBondContact O-N 3.15Å
43E92.6Very high93.6Very high102 Ų10276 Ų7648%0.47740%0.398SS..THydrogen-bonded Turntrans-73-7.5173-70.1179.2164.300113.7E39 K40 E41 C45E39-E43 WeakPolarHBondContact O-CG 3.4Å; E39-E43 PolarHBondContact O-N 2.95Å; K40-E43 IonicContact NZ-OE1 3.23Å; K40-E43 IonicContact NZ-OE2 3.94Å; K40-E43 PolarHBondContact NZ-OE2 3.29Å; E41-E43 VanDerWaalsContact C-N 3.33Å; E41-E43 PolarHBondContact O-N 3.42Å; E43-C45 HydrophobicContact CB-CB 4.31Å; E43-C45 PolarHBondContact O-N 3.32Å
44G90.5Very high93.4Very high64 Ų6480.5 Ų80.566%0.6642%0.422SS*.THydrogen-bonded Turntrans66.618.4-174.600000114K40 E41 E42K40-G44 PolarHBondContact O-N 3.33Å; E41-G44 PolarHBondContact O-N 3.16Å; E42-G44 PolarHBondContact O-N 3.15Å
45C91.1Very high93.3Very high77 Ų7779.5 Ų79.552%0.5242%0.417SS..  trans-114.741.6-174.5-71.90000111.5K40 E43 A47K40-C45 HydrophobicContact CD-CB 4.46Å; K40-C45 CarbonylContact O-C 3.57Å; K40-C45 PolarHBondContact O-N 2.9Å; E43-C45 HydrophobicContact CB-CB 4.31Å; E43-C45 PolarHBondContact O-N 3.32Å; C45-A47 PolarHBondContact O-N 3.26Å
46I90.8Very high93.3Very high104 Ų10477 Ų7753%0.53340%0.4SS..  trans-56.5123.3177.7-55.7172.3000109.4K40 E41K40-I46 PolarHBondContact O-N 3.02Å; E41-I46 HydrophobicContact CB-CD1 4.29Å; E41-I46 HydrophobicContact CB-CG1 4.09Å; E41-I46 HydrophobicContact CG-CD1 4.02Å; E41-I46 HydrophobicContact CG-CG1 4.36Å
47A93Very high93.4Very high35 Ų3575.5 Ų75.529%0.28939%0.392SS..  trans-130.4146.317600000109.5C45 I49 Y59C45-A47 PolarHBondContact O-N 3.26Å; A47-I49 PolarHBondContact O-N 3.4Å; A47-Y59 WeakPolarHBondContact O-CE1 3.41Å; A47-Y59 PolarHBondContact O-OH 3.43Å
48P95Very high93.6Very high70 Ų7075.5 Ų75.546%0.45539%0.392SS..SBendtrans-74.3-3.9176.332.7-36.3000112.7Y59 F81P48-Y59 WeakPolarHBondContact O-CD1 2.89Å; P48-Y59 PolarHBondContact O-N 3.27Å; P48-F81 HydrophobicContact CB-CE1 3.98Å; P48-F81 HydrophobicContact CB-CZ 3.72Å; P48-F81 HydrophobicContact CG-CZ 4.15Å; P48-F81 WeakPolarHBondContact O-CZ 3.46Å
49I96.2Very high93.7Very high34 Ų3472 Ų7217%0.17437%0.373CS..EExtended strand (participates in β ladder)trans-124.6126.3179-50.8175.1000107.7A47 Y51 T56 F57 Y58 V77 F81A47-I49 PolarHBondContact O-N 3.4Å; I49-Y51 HydrophobicContact CG2-CE1 4.35Å; I49-Y51 HydrophobicContact CG2-CE2 4.14Å; I49-T56 HydrophobicContact CG2-CG2 3.45Å; I49-T56 VanDerWaalsContact CG2-CG2 3.45Å; I49-F57 CarbonylContact C-O 3.47Å; I49-F57 VanDerWaalsContact CA-O 3.27Å; I49-F57 WeakPolarHBondContact CA-O 3.49Å; I49-Y58 HydrophobicContact CD1-CD1 4.27Å; I49-Y58 HydrophobicContact CD1-CE1 4.17Å; I49-Y58 HydrophobicContact CG1-CD1 3.92Å; I49-Y58 HydrophobicContact CG1-CE1 4.23Å; I49-Y58 HydrophobicContact CG2-CD1 4.17Å; I49-Y58 HydrophobicContact CG2-CE1 4Å; I49-V77 HydrophobicContact CD1-CG1 3.5Å; I49-V77 VanDerWaalsContact CD1-CG1 3.5Å; I49-V77 HydrophobicContact CD1-CG2 4.45Å; I49-V77 HydrophobicContact CG1-CG1 4.47Å; I49-F81 HydrophobicContact CD1-CE2 4.13Å; I49-F81 HydrophobicContact CG1-CE2 3.91Å; I49-F81 HydrophobicContact CG1-CZ 3.89Å
50L95.7Very high93.9Very high8 Ų868 Ų684%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-118.4138.5175.2-51.7171.6000109.4F33 L36 V37 K40 F57 Y59F33-L50 HydrophobicContact CD2-CD1 4.03Å; F33-L50 HydrophobicContact CE2-CD1 3.94Å; L36-L50 HydrophobicContact CB-CD1 4.02Å; V37-L50 HydrophobicContact CB-CD1 4.46Å; V37-L50 HydrophobicContact CG2-CD1 3.52Å; K40-L50 HydrophobicContact CB-CD2 4.5Å; K40-L50 HydrophobicContact CG-CD2 3.88Å; L50-F57 HydrophobicContact CB-CB 4.14Å; L50-F57 HydrophobicContact CB-CD2 4.36Å; L50-F57 PolarHBondContact N-O 2.89Å; L50-F57 PolarHBondContact O-N 2.91Å; L50-Y59 HydrophobicContact CD1-CD1 4.41Å; L50-Y59 HydrophobicContact CD1-CE1 4.09Å; L50-Y59 HydrophobicContact CG-CD1 4.47Å; L50-Y59 HydrophobicContact CG-CE1 4.07Å
51Y93Very high94Very high172 Ų17271 Ų7168%0.67537%0.368SS*.EExtended strand (participates in β ladder)trans-104.8127179.6-64.5-79.5000109.8I49 T56I49-Y51 HydrophobicContact CG2-CE1 4.35Å; I49-Y51 HydrophobicContact CG2-CE2 4.14Å; Y51-T56 HydrophobicContact CD1-CG2 3.99Å; Y51-T56 HydrophobicContact CE1-CG2 3.88Å
52H93.5Very high94.1Very high57 Ų5768.4 Ų68.426%0.26436%0.356SS..  trans-123.3158.9166.2-174.5-93.4000108.8L29 L36 D54 A55 F57L29-H52 WeakPolarHBondContact CD1-ND1 3.41Å; L36-H52 HydrophobicContact CD1-CB 4.29Å; H52-D54 IonicContact CE1-OD2 3.22Å; H52-D54 PolarHBondContact CE1-OD2 3.22Å; H52-D54 PolarHBondContact ND1-N 3.24Å; H52-D54 IonicContact ND1-OD2 2.78Å; H52-D54 PolarHBondContact ND1-OD2 3.12Å; H52-D54 PolarHBondContact O-N 3.31Å; H52-D54 VanDerWaalsContact O-N 3.16Å; H52-A55 CarbonylContact C-O 3.59Å; H52-A55 WeakPolarHBondContact CB-O 3.19Å; H52-A55 PolarHBondContact N-O 3.14Å; H52-A55 PolarHBondContact O-N 2.83Å; H52-F57 HydrophobicContact CB-CD2 4.39Å; H52-F57 HydrophobicContact CB-CE2 3.65Å
53Q91.8Very high94.1Very high193 Ų19363.7 Ų63.790%0.90234%0.339SS*.SBendtrans-57-34-175.8-63.4-179.9-1.200112.5
54D92.3Very high94.1Very high95 Ų9560.8 Ų60.851%0.50833%0.327SS..SBendtrans-92-28.2-176.1-58.7-52.1000114.8L29 H52L29-D54 HydrophobicContact CD1-CB 4.31Å; L29-D54 HydrophobicContact CD2-CB 3.87Å; H52-D54 IonicContact CE1-OD2 3.22Å; H52-D54 PolarHBondContact CE1-OD2 3.22Å; H52-D54 PolarHBondContact ND1-N 3.24Å; H52-D54 IonicContact ND1-OD2 2.78Å; H52-D54 PolarHBondContact ND1-OD2 3.12Å; H52-D54 PolarHBondContact O-N 3.31Å; H52-D54 VanDerWaalsContact O-N 3.16Å
55A94.2Very high94.4Very high4 Ų457.8 Ų57.83%0.03330%0.296CS..  trans-160.7162.1-179.500000112.7V25 L29 H52V25-A55 HydrophobicContact CG1-CB 4.22Å; V25-A55 HydrophobicContact CG2-CB 4.36Å; L29-A55 HydrophobicContact CD2-CB 3.43Å; L29-A55 VanDerWaalsContact CD2-CB 3.43Å; H52-A55 CarbonylContact C-O 3.59Å; H52-A55 WeakPolarHBondContact CB-O 3.19Å; H52-A55 PolarHBondContact N-O 3.14Å; H52-A55 PolarHBondContact O-N 2.83Å
56T95.8Very high94.7Very high22 Ų2255.1 Ų55.114%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-96.5132168.2-53.10000109.6I49 Y51 Y58 L70 S71I49-T56 HydrophobicContact CG2-CG2 3.45Å; I49-T56 VanDerWaalsContact CG2-CG2 3.45Å; Y51-T56 HydrophobicContact CD1-CG2 3.99Å; Y51-T56 HydrophobicContact CE1-CG2 3.88Å; T56-Y58 HydrophobicContact CG2-CE1 4.02Å; T56-Y58 HydrophobicContact CG2-CE2 3.92Å; T56-L70 WeakPolarHBondContact O-CA 3.15Å; T56-S71 PolarHBondContact N-O 3.22Å; T56-S71 PolarHBondContact O-N 2.63Å
57F96.9Very high95.1Very high0 Ų050.2 Ų50.20%025%0.25CC..EExtended strand (participates in β ladder)trans-96.9129.2173.1-57.9-103.7000109.2L29 I30 K32 F33 L36 I49 L50 H52 V68 L70L29-F57 HydrophobicContact CD1-CZ 4.32Å; L29-F57 HydrophobicContact CD2-CZ 4.41Å; L29-F57 HydrophobicContact CG-CZ 3.86Å; I30-F57 HydrophobicContact CD1-CE1 4.43Å; K32-F57 HydrophobicContact CB-CZ 4.48Å; F33-F57 HydrophobicContact CB-CD1 3.94Å; F33-F57 HydrophobicContact CB-CE1 3.79Å; F33-F57 HydrophobicContact CD2-CB 4.2Å; F33-F57 AromaticContact CD2-CD1 3.75Å; F33-F57 HydrophobicContact CD2-CD1 3.75Å; F33-F57 HydrophobicContact CD2-CE1 4.46Å; F33-F57 HydrophobicContact CD2-CG 4.18Å; F33-F57 HydrophobicContact CG-CD1 4.26Å; L36-F57 HydrophobicContact CD1-CE2 4.11Å; I49-F57 CarbonylContact C-O 3.47Å; I49-F57 VanDerWaalsContact CA-O 3.27Å; I49-F57 WeakPolarHBondContact CA-O 3.49Å; L50-F57 HydrophobicContact CB-CB 4.14Å; L50-F57 HydrophobicContact CB-CD2 4.36Å; L50-F57 PolarHBondContact N-O 2.89Å; L50-F57 PolarHBondContact O-N 2.91Å; H52-F57 HydrophobicContact CB-CD2 4.39Å; H52-F57 HydrophobicContact CB-CE2 3.65Å; F57-V68 HydrophobicContact CB-CG1 4.4Å; F57-V68 HydrophobicContact CD1-CG1 4.01Å; F57-L70 HydrophobicContact CB-CD2 4.38Å; F57-L70 HydrophobicContact CD1-CD2 3.11Å; F57-L70 HydrophobicContact CE1-CD2 3.33Å; F57-L70 HydrophobicContact CG-CD2 3.77Å; F57-L70 HydrophobicContact CZ-CD2 4.15Å
58Y97.1Very high95.3Very high7 Ų748.5 Ų48.53%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-112.7128.1167.2-53.3-87.8000107I49 T56 V68 A69 V77 V80 F81I49-Y58 HydrophobicContact CD1-CD1 4.27Å; I49-Y58 HydrophobicContact CD1-CE1 4.17Å; I49-Y58 HydrophobicContact CG1-CD1 3.92Å; I49-Y58 HydrophobicContact CG1-CE1 4.23Å; I49-Y58 HydrophobicContact CG2-CD1 4.17Å; I49-Y58 HydrophobicContact CG2-CE1 4Å; T56-Y58 HydrophobicContact CG2-CE1 4.02Å; T56-Y58 HydrophobicContact CG2-CE2 3.92Å; Y58-V68 CarbonylContact O-C 3.45Å; Y58-V68 WeakPolarHBondContact O-CA 3.21Å; Y58-A69 PolarHBondContact N-O 2.8Å; Y58-A69 PolarHBondContact O-N 2.74Å; Y58-V77 HydrophobicContact CD1-CG1 4.27Å; Y58-V77 HydrophobicContact CE1-CB 4.31Å; Y58-V77 HydrophobicContact CE1-CG1 4.03Å; Y58-V77 HydrophobicContact CE1-CG2 3.86Å; Y58-V80 HydrophobicContact CD1-CG1 4.43Å; Y58-V80 HydrophobicContact CD2-CG1 3.92Å; Y58-V80 HydrophobicContact CG-CB 4.48Å; Y58-V80 HydrophobicContact CG-CG1 3.79Å; Y58-F81 HydrophobicContact CD1-CE2 4.03Å; Y58-F81 HydrophobicContact CD1-CZ 4.2Å
59Y97.1Very high95.4Very high22 Ų2245.2 Ų45.29%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-137.5149.1179.676-84.1000113.4F33 V37 A47 P48 L50 Y66 L67F33-Y59 AromaticContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD2 4.4Å; F33-Y59 HydrophobicContact CE2-CE1 4.25Å; F33-Y59 AromaticContact CE2-CG 3.64Å; F33-Y59 HydrophobicContact CE2-CG 3.64Å; F33-Y59 AromaticContact CZ-CD1 3.93Å; F33-Y59 HydrophobicContact CZ-CD1 3.93Å; F33-Y59 AromaticContact CZ-CD2 3.92Å; F33-Y59 HydrophobicContact CZ-CD2 3.92Å; F33-Y59 AromaticContact CZ-CG 3.57Å; F33-Y59 HydrophobicContact CZ-CG 3.57Å; V37-Y59 HydrophobicContact CG2-CE1 4.38Å; A47-Y59 WeakPolarHBondContact O-CE1 3.41Å; A47-Y59 PolarHBondContact O-OH 3.43Å; P48-Y59 WeakPolarHBondContact O-CD1 2.89Å; P48-Y59 PolarHBondContact O-N 3.27Å; L50-Y59 HydrophobicContact CD1-CD1 4.41Å; L50-Y59 HydrophobicContact CD1-CE1 4.09Å; L50-Y59 HydrophobicContact CG-CD1 4.47Å; L50-Y59 HydrophobicContact CG-CE1 4.07Å; Y59-Y66 AromaticContact CD2-CD1 3.89Å; Y59-Y66 HydrophobicContact CD2-CD1 3.89Å; Y59-Y66 HydrophobicContact CD2-CE1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.35Å; Y59-Y66 HydrophobicContact CE2-CE1 4.18Å; Y59-L67 VanDerWaalsContact CA-O 3.26Å; Y59-L67 WeakPolarHBondContact CA-O 3.37Å
60V96.9Very high95.5Very high9 Ų943.6 Ų43.66%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-122.7141.5165.7-60.90000108.2L67 F81 L84 Y85V60-L67 HydrophobicContact CG2-CB 3.75Å; V60-L67 HydrophobicContact CG2-CD2 4.02Å; V60-L67 HydrophobicContact CG2-CG 4.15Å; V60-L67 PolarHBondContact N-O 3.18Å; V60-L67 PolarHBondContact O-N 3.37Å; V60-F81 HydrophobicContact CG1-CD1 3.8Å; V60-F81 HydrophobicContact CG1-CE1 4.09Å; V60-L84 HydrophobicContact CG1-CB 4.33Å; V60-L84 HydrophobicContact CG1-CD1 4.26Å; V60-L84 HydrophobicContact CG2-CB 4.07Å; V60-L84 HydrophobicContact CG2-CD1 4.39Å; V60-Y85 HydrophobicContact CG1-CE1 4.17Å; V60-Y85 HydrophobicContact CG1-CE2 4.09Å
61K95.5Very high95.4Very high127 Ų12743.2 Ų43.255%0.55220%0.204SC*.EExtended strand (participates in β ladder)trans-98.5125.8171.7-174.5176.2-179.8173.30108.1L65 Y66K61-L65 WeakPolarHBondContact CA-O 3.49Å; K61-Y66 HydrophobicContact CB-CD1 4.34Å; K61-Y66 HydrophobicContact CB-CE1 4.24Å; K61-Y66 HydrophobicContact CD-CE1 4.17Å; K61-Y66 HydrophobicContact CG-CE1 4.26Å
62H94.5Very high95.4Very high60 Ų6043 Ų4328%0.27820%0.202SC..EExtended strand (participates in β ladder)trans-129.7125.5175.6-174.579.4000107.5N64 L65 V88H62-N64 PolarHBondContact O-N 2.81Å; H62-N64 VanDerWaalsContact O-N 3.09Å; H62-L65 PolarHBondContact N-O 3.46Å; H62-L65 WeakPolarHBondContact O-CA 3.38Å; H62-L65 WeakPolarHBondContact O-CB 3.19Å; H62-L65 PolarHBondContact O-N 2.79Å; H62-L65 VanDerWaalsContact O-O 3.06Å; H62-V88 HydrophobicContact CB-CG2 4.43Å
63T93Very high95.2Very high75 Ų7545.6 Ų45.646%0.4621%0.213SC..THydrogen-bonded Turntrans47.2-114.3-17858.80000112.5L98T63-L98 PolarHBondContact OG1-O 2.74Å
64N93.2Very high95.1Very high41 Ų4144.2 Ų44.222%0.21921%0.212CC..THydrogen-bonded Turntrans-102.718.9177.958.9-8.7000113.2L11 H62 E99 E100L11-N64 HydrophobicContact CD1-CB 4.17Å; L11-N64 HydrophobicContact CG-CB 4.21Å; L11-N64 WeakPolarHBondContact CG-O 3.26Å; H62-N64 PolarHBondContact O-N 2.81Å; H62-N64 VanDerWaalsContact O-N 3.09Å; N64-E99 WeakPolarHBondContact OD1-CA 3.43Å; N64-E100 PolarHBondContact OD1-N 3.28Å
65L96.7Very high95Very high1 Ų140 Ų401%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-122.3144.9-174.9-61.4169.9000112.3F8 L9 I16 K61 H62 L98 E100 I103F8-L65 HydrophobicContact CD1-CB 4.47Å; F8-L65 HydrophobicContact CD1-CD1 4.22Å; F8-L65 HydrophobicContact CE1-CD1 4.47Å; L9-L65 WeakPolarHBondContact O-CA 3.45Å; I16-L65 HydrophobicContact CD1-CD2 3.35Å; K61-L65 WeakPolarHBondContact CA-O 3.49Å; H62-L65 PolarHBondContact N-O 3.46Å; H62-L65 WeakPolarHBondContact O-CA 3.38Å; H62-L65 WeakPolarHBondContact O-CB 3.19Å; H62-L65 PolarHBondContact O-N 2.79Å; H62-L65 VanDerWaalsContact O-O 3.06Å; L65-L98 HydrophobicContact CD1-CD1 4.18Å; L65-L98 HydrophobicContact CD1-CG 3.88Å; L65-E100 HydrophobicContact CD2-CB 4.22Å; L65-I103 HydrophobicContact CD1-CD1 3.59Å; L65-I103 HydrophobicContact CD1-CG1 4.45Å; L65-I103 HydrophobicContact CD2-CD1 3.94Å; L65-I103 HydrophobicContact CG-CD1 4.41Å
66Y97.5Very high95Very high21 Ų2144.2 Ų44.28%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-103124.2158.9-69.4-86.6000109.2F8 L9 L11 F33 Y59 K61F8-Y66 CarbonylContact C-O 3.59Å; F8-Y66 WeakPolarHBondContact CA-O 3.39Å; L9-Y66 PolarHBondContact N-O 2.88Å; L9-Y66 PolarHBondContact O-N 2.94Å; L11-Y66 HydrophobicContact CD2-CE2 4.08Å; F33-Y66 AromaticContact CE1-CD1 3.92Å; F33-Y66 HydrophobicContact CE1-CD1 3.92Å; F33-Y66 HydrophobicContact CE1-CE1 4.49Å; F33-Y66 AromaticContact CE1-CG 3.95Å; F33-Y66 HydrophobicContact CE1-CG 3.95Å; F33-Y66 AromaticContact CZ-CD1 3.92Å; F33-Y66 HydrophobicContact CZ-CD1 3.92Å; F33-Y66 HydrophobicContact CZ-CE1 4.47Å; F33-Y66 HydrophobicContact CZ-CG 4.36Å; Y59-Y66 AromaticContact CD2-CD1 3.89Å; Y59-Y66 HydrophobicContact CD2-CD1 3.89Å; Y59-Y66 HydrophobicContact CD2-CE1 4.19Å; Y59-Y66 HydrophobicContact CE2-CD1 4.35Å; Y59-Y66 HydrophobicContact CE2-CE1 4.18Å; K61-Y66 HydrophobicContact CB-CD1 4.34Å; K61-Y66 HydrophobicContact CB-CE1 4.24Å; K61-Y66 HydrophobicContact CD-CE1 4.17Å; K61-Y66 HydrophobicContact CG-CE1 4.26Å
67L97.7Very high94.9Very high1 Ų145.4 Ų45.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-101.4114.1168.417260.7000108.2V6 F7 F8 Y59 V60 L84 I87 V88V6-L67 HydrophobicContact CG1-CD1 3.58Å; F7-L67 WeakPolarHBondContact O-CA 3.35Å; F7-L67 WeakPolarHBondContact O-CD1 3.34Å; F8-L67 HydrophobicContact CD1-CB 4.24Å; F8-L67 HydrophobicContact CD1-CD1 4.23Å; F8-L67 HydrophobicContact CD2-CD1 4.09Å; F8-L67 HydrophobicContact CE1-CB 4.03Å; F8-L67 HydrophobicContact CE1-CD1 3.96Å; F8-L67 HydrophobicContact CE1-CD2 4.35Å; F8-L67 HydrophobicContact CE1-CG 4.33Å; F8-L67 HydrophobicContact CE2-CD1 3.79Å; F8-L67 HydrophobicContact CG-CD1 4.3Å; F8-L67 HydrophobicContact CZ-CD1 3.74Å; F8-L67 HydrophobicContact CZ-CD2 4.21Å; F8-L67 HydrophobicContact CZ-CG 4.39Å; Y59-L67 VanDerWaalsContact CA-O 3.26Å; Y59-L67 WeakPolarHBondContact CA-O 3.37Å; V60-L67 HydrophobicContact CG2-CB 3.75Å; V60-L67 HydrophobicContact CG2-CD2 4.02Å; V60-L67 HydrophobicContact CG2-CG 4.15Å; V60-L67 PolarHBondContact N-O 3.18Å; V60-L67 PolarHBondContact O-N 3.37Å; L67-L84 HydrophobicContact CD1-CD2 4.28Å; L67-L84 HydrophobicContact CD2-CB 3.92Å; L67-L84 HydrophobicContact CD2-CD2 4.01Å; L67-L84 HydrophobicContact CD2-CG 4.48Å; L67-L84 VanDerWaalsContact CD2-O 3.27Å; L67-L84 WeakPolarHBondContact CD2-O 3.41Å; L67-L84 HydrophobicContact CG-CB 4.42Å; L67-L84 HydrophobicContact CG-CD2 3.88Å; L67-I87 HydrophobicContact CD1-CD1 4.43Å; L67-I87 HydrophobicContact CD2-CB 4.09Å; L67-I87 HydrophobicContact CD2-CD1 4.38Å; L67-I87 HydrophobicContact CD2-CG2 4.27Å; L67-V88 HydrophobicContact CD2-CG2 3.91Å
68V97.8Very high94.7Very high0 Ų048.8 Ų48.80%025%0.247CC..EExtended strand (participates in β ladder)trans-119.8128.7-171.1-172.10000110.1V6 F7 L9 I30 F33 F57 Y58 L70V6-V68 CarbonylContact C-O 3.51Å; V6-V68 WeakPolarHBondContact CA-O 3.37Å; F7-V68 HydrophobicContact CB-CB 4.42Å; F7-V68 PolarHBondContact N-O 3.31Å; F7-V68 PolarHBondContact O-N 2.85Å; L9-V68 HydrophobicContact CD1-CG2 3.85Å; L9-V68 HydrophobicContact CG-CG2 4.26Å; I30-V68 HydrophobicContact CD1-CB 4.23Å; I30-V68 HydrophobicContact CD1-CG1 4.01Å; F33-V68 HydrophobicContact CD1-CG2 4.1Å; F33-V68 HydrophobicContact CD2-CG1 4.11Å; F33-V68 HydrophobicContact CD2-CG2 4.29Å; F33-V68 HydrophobicContact CE1-CG2 3.76Å; F33-V68 HydrophobicContact CE2-CG1 4.22Å; F33-V68 HydrophobicContact CE2-CG2 3.97Å; F33-V68 HydrophobicContact CG-CG2 4.35Å; F33-V68 HydrophobicContact CZ-CG2 3.68Å; F57-V68 HydrophobicContact CB-CG1 4.4Å; F57-V68 HydrophobicContact CD1-CG1 4.01Å; Y58-V68 CarbonylContact O-C 3.45Å; Y58-V68 WeakPolarHBondContact O-CA 3.21Å; V68-L70 HydrophobicContact CG1-CD2 4.33Å
69A97.5Very high94.6Very high0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-108.4136.9166.800000110.8A5 V6 Y58 V80 L84A5-A69 CarbonylContact O-C 3.59Å; A5-A69 WeakPolarHBondContact O-CA 3.32Å; V6-A69 HydrophobicContact CG2-CB 4.37Å; Y58-A69 PolarHBondContact N-O 2.8Å; Y58-A69 PolarHBondContact O-N 2.74Å; A69-V80 HydrophobicContact CB-CG1 3.92Å; A69-L84 HydrophobicContact CB-CD1 4.41Å; A69-L84 HydrophobicContact CB-CD2 3.97Å
70L96.8Very high94.6Very high0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-100.7143.9172.2-57.5-176.3000110.2S4 A5 F7 V25 T56 F57 V68S4-L70 WeakPolarHBondContact CB-O 3.26Å; S4-L70 PolarHBondContact N-O 3.42Å; A5-L70 PolarHBondContact O-N 2.83Å; F7-L70 HydrophobicContact CD2-CD1 4.37Å; F7-L70 HydrophobicContact CD2-CG 4.3Å; F7-L70 HydrophobicContact CE2-CD1 3.46Å; F7-L70 VanDerWaalsContact CE2-CD1 3.46Å; F7-L70 HydrophobicContact CE2-CG 3.77Å; F7-L70 HydrophobicContact CZ-CD1 3.97Å; V25-L70 HydrophobicContact CG1-CB 4.35Å; V25-L70 HydrophobicContact CG1-CD1 3.74Å; T56-L70 WeakPolarHBondContact O-CA 3.15Å; F57-L70 HydrophobicContact CB-CD2 4.38Å; F57-L70 HydrophobicContact CD1-CD2 3.11Å; F57-L70 HydrophobicContact CE1-CD2 3.33Å; F57-L70 HydrophobicContact CG-CD2 3.77Å; F57-L70 HydrophobicContact CZ-CD2 4.15Å; V68-L70 HydrophobicContact CG1-CD2 4.33Å
71S95.4Very high94.5Very high0 Ų049.7 Ų49.70%026%0.256CS..EExtended strand (participates in β ladder)trans-143.9132.9167.5179.40000109.8S2 T56 K73 S75S2-S71 PolarHBondContact O-OG 2.82Å; T56-S71 PolarHBondContact N-O 3.22Å; T56-S71 PolarHBondContact O-N 2.63Å; S71-K73 PolarHBondContact OG-N 2.79Å; S71-K73 PolarHBondContact OG-O 3.26Å; S71-S75 PolarHBondContact OG-OG 2.49Å
72R92.3Very high94.5Very high168 Ų16846.7 Ų46.763%0.63425%0.254SS*.SBendtrans-84.3-22.3169.8-169167.9-179.2-172.61.6113.3D24 V25D24-R72 WeakPolarHBondContact O-CD 3.24Å; V25-R72 HydrophobicContact CG2-CB 4Å
73K89.8Confident94.6Very high111 Ų11144.2 Ų44.248%0.48324%0.243SC..SBendtrans-99.9164.1-175.5-59.2-174.6-173.5175.20111.1R22 S71 S75R22-K73 VanDerWaalsContact NH2-NZ 3.18Å; S71-K73 PolarHBondContact OG-N 2.79Å; S71-K73 PolarHBondContact OG-O 3.26Å; K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 PolarHBondContact O-N 3Å
74N89.7Confident94.8Very high165 Ų16540.7 Ų40.788%0.88222%0.221SC*.  trans-66.588.8168.3-174.27.3000110
75S89.4Confident95Very high5 Ų545.9 Ų45.94%0.03524%0.239CC..  trans-85.8150.4-178.7-82.30000111.2S2 S71 K73 V77S2-S75 PolarHBondContact N-OG 3.37Å; S2-S75 PolarHBondContact O-OG 3.44Å; S2-S75 PolarHBondContact OG-OG 3.19Å; S2-S75 VanDerWaalsContact OG-OG 3.09Å; S71-S75 PolarHBondContact OG-OG 2.49Å; K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 PolarHBondContact O-N 3Å; S75-V77 PolarHBondContact O-N 3.2Å
76N93.4Very high94.9Very high93 Ų9348.1 Ų48.150%0.49725%0.248SC..  trans-66.3101.2168.7-178.2-32.4000109.4A78 A79 V80N76-A78 PolarHBondContact O-N 2.93Å; N76-A78 PolarHBondContact OD1-N 3.25Å; N76-A79 HydrophobicContact CB-CB 3.98Å; N76-A79 WeakPolarHBondContact O-CB 3.3Å; N76-A79 PolarHBondContact O-N 2.78Å; N76-A79 PolarHBondContact OD1-N 3Å; N76-A79 VanDerWaalsContact OD1-N 3.08Å; N76-V80 WeakPolarHBondContact O-CG2 3.41Å; N76-V80 PolarHBondContact O-N 2.87Å
77V94Very high94.9Very high48 Ų4847.2 Ų47.229%0.29125%0.245SC..Hα-helixtrans-56.8-46.7-175.3-179.70000112.3I49 Y58 S75 A79 V80 F81I49-V77 HydrophobicContact CD1-CG1 3.5Å; I49-V77 VanDerWaalsContact CD1-CG1 3.5Å; I49-V77 HydrophobicContact CD1-CG2 4.45Å; I49-V77 HydrophobicContact CG1-CG1 4.47Å; Y58-V77 HydrophobicContact CD1-CG1 4.27Å; Y58-V77 HydrophobicContact CE1-CB 4.31Å; Y58-V77 HydrophobicContact CE1-CG1 4.03Å; Y58-V77 HydrophobicContact CE1-CG2 3.86Å; S75-V77 PolarHBondContact O-N 3.2Å; V77-A79 VanDerWaalsContact C-N 3.26Å; V77-A79 PolarHBondContact O-N 3.47Å; V77-V80 PolarHBondContact O-N 2.8Å; V77-V80 VanDerWaalsContact O-N 3.16Å; V77-F81 HydrophobicContact CG1-CD2 3.7Å; V77-F81 HydrophobicContact CG1-CE2 3.51Å; V77-F81 VanDerWaalsContact O-CD2 3.29Å; V77-F81 WeakPolarHBondContact O-CD2 3.48Å; V77-F81 PolarHBondContact O-N 3.04Å
78A94.4Very high94.8Very high71 Ų7147.8 Ų47.859%0.58725%0.248SC*.Hα-helixtrans-61.3-39.7-179.500000111.4N76 A82N76-A78 PolarHBondContact O-N 2.93Å; N76-A78 PolarHBondContact OD1-N 3.25Å; A78-A82 VanDerWaalsContact O-CB 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 3.38Å
79A94.4Very high94.7Very high27 Ų2752.2 Ų52.222%0.22327%0.269CS..Hα-helixtrans-66.6-42.4177.400000110.8M1 N76 V77 A82 F83M1-A79 HydrophobicContact CB-CB 4.37Å; M1-A79 HydrophobicContact CE-CB 3.43Å; M1-A79 VanDerWaalsContact CE-CB 3.43Å; M1-A79 WeakPolarHBondContact CE-O 3.27Å; M1-A79 HydrophobicContact CG-CB 4.46Å; N76-A79 HydrophobicContact CB-CB 3.98Å; N76-A79 WeakPolarHBondContact O-CB 3.3Å; N76-A79 PolarHBondContact O-N 2.78Å; N76-A79 PolarHBondContact OD1-N 3Å; N76-A79 VanDerWaalsContact OD1-N 3.08Å; V77-A79 VanDerWaalsContact C-N 3.26Å; V77-A79 PolarHBondContact O-N 3.47Å; A79-A82 PolarHBondContact O-N 3.1Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.7Å
80V95.9Very high94.6Very high0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-58-51.3176.2176.10000110.6M1 Y58 A69 N76 V77 A82 F83 L84M1-V80 HydrophobicContact CG-CG2 4.01Å; Y58-V80 HydrophobicContact CD1-CG1 4.43Å; Y58-V80 HydrophobicContact CD2-CG1 3.92Å; Y58-V80 HydrophobicContact CG-CB 4.48Å; Y58-V80 HydrophobicContact CG-CG1 3.79Å; A69-V80 HydrophobicContact CB-CG1 3.92Å; N76-V80 WeakPolarHBondContact O-CG2 3.41Å; N76-V80 PolarHBondContact O-N 2.87Å; V77-V80 PolarHBondContact O-N 2.8Å; V77-V80 VanDerWaalsContact O-N 3.16Å; V80-A82 PolarHBondContact O-N 3.48Å; V80-F83 WeakPolarHBondContact O-CB 3.27Å; V80-F83 PolarHBondContact O-N 2.71Å; V80-L84 HydrophobicContact CG1-CD1 4.45Å; V80-L84 HydrophobicContact CG1-CG 4.38Å; V80-L84 WeakPolarHBondContact O-CG 3.4Å; V80-L84 PolarHBondContact O-N 3.22Å
81F96.5Very high94.5Very high30 Ų3052.3 Ų52.313%0.13227%0.269CS..Hα-helixtrans-63.5-42.4178.9-76.8-67.7000112.9P48 I49 Y58 V60 V77 F83 L84 Y85P48-F81 HydrophobicContact CB-CE1 3.98Å; P48-F81 HydrophobicContact CB-CZ 3.72Å; P48-F81 HydrophobicContact CG-CZ 4.15Å; P48-F81 WeakPolarHBondContact O-CZ 3.46Å; I49-F81 HydrophobicContact CD1-CE2 4.13Å; I49-F81 HydrophobicContact CG1-CE2 3.91Å; I49-F81 HydrophobicContact CG1-CZ 3.89Å; Y58-F81 HydrophobicContact CD1-CE2 4.03Å; Y58-F81 HydrophobicContact CD1-CZ 4.2Å; V60-F81 HydrophobicContact CG1-CD1 3.8Å; V60-F81 HydrophobicContact CG1-CE1 4.09Å; V77-F81 HydrophobicContact CG1-CD2 3.7Å; V77-F81 HydrophobicContact CG1-CE2 3.51Å; V77-F81 VanDerWaalsContact O-CD2 3.29Å; V77-F81 WeakPolarHBondContact O-CD2 3.48Å; V77-F81 PolarHBondContact O-N 3.04Å; F81-F83 PolarHBondContact O-N 2.79Å; F81-L84 HydrophobicContact CD1-CD1 4.45Å; F81-L84 PolarHBondContact O-N 3.36Å; F81-L84 VanDerWaalsContact O-N 3.15Å; F81-Y85 HydrophobicContact CB-CE2 4.43Å; F81-Y85 WeakPolarHBondContact O-CD2 3.4Å; F81-Y85 PolarHBondContact O-N 2.96Å
82A95.1Very high94.4Very high64 Ų6453.9 Ų53.953%0.52928%0.28SS..Hα-helixtrans-57-40.4175.500000111.3A78 A79 V80 K86A78-A82 VanDerWaalsContact O-CB 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 3.38Å; A79-A82 PolarHBondContact O-N 3.1Å; V80-A82 PolarHBondContact O-N 3.48Å; A82-K86 WeakPolarHBondContact O-CB 3.36Å; A82-K86 PolarHBondContact O-N 3.12Å
83F96.2Very high94.3Very high8 Ų849.3 Ų49.34%0.03527%0.269CS..Hα-helixtrans-68.3-43.9174.8178.8-110.6000112.7M1 A79 V80 F81 Y85 K86 I87 I117 M118 P123 T126M1-F83 HydrophobicContact CE-CB 3.91Å; M1-F83 HydrophobicContact SD-CB 3.98Å; M1-F83 HydrophobicContact SD-CD1 4.49Å; M1-F83 HydrophobicContact SD-CG 4.29Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.7Å; V80-F83 WeakPolarHBondContact O-CB 3.27Å; V80-F83 PolarHBondContact O-N 2.71Å; F81-F83 PolarHBondContact O-N 2.79Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 PolarHBondContact O-N 3.29Å; F83-K86 CarbonylContact O-C 3.57Å; F83-K86 WeakPolarHBondContact O-CA 3.18Å; F83-K86 WeakPolarHBondContact O-CB 3.24Å; F83-K86 PolarHBondContact O-N 2.87Å; F83-I87 HydrophobicContact CD1-CD1 4.05Å; F83-I87 HydrophobicContact CD1-CG1 4.35Å; F83-I87 HydrophobicContact CE1-CD1 3.51Å; F83-I87 HydrophobicContact CE1-CG1 3.96Å; F83-I87 HydrophobicContact CE2-CG1 4.24Å; F83-I87 HydrophobicContact CZ-CD1 3.83Å; F83-I87 HydrophobicContact CZ-CG1 3.88Å; F83-I87 WeakPolarHBondContact O-CG1 3.43Å; F83-I87 PolarHBondContact O-N 2.68Å; F83-I117 HydrophobicContact CE2-CB 4.38Å; F83-I117 HydrophobicContact CE2-CG1 4.29Å; F83-I117 HydrophobicContact CZ-CD1 4.11Å; F83-I117 HydrophobicContact CZ-CG1 3.96Å; F83-M118 HydrophobicContact CD1-CE 3.39Å; F83-M118 HydrophobicContact CD2-CE 4.33Å; F83-M118 HydrophobicContact CE1-CB 4.35Å; F83-M118 HydrophobicContact CE1-CE 3.08Å; F83-M118 HydrophobicContact CE1-SD 3.79Å; F83-M118 HydrophobicContact CE2-CB 4.31Å; F83-M118 HydrophobicContact CE2-CE 4.1Å; F83-M118 HydrophobicContact CG-CE 4.01Å; F83-M118 HydrophobicContact CZ-CB 3.68Å; F83-M118 HydrophobicContact CZ-CE 3.49Å; F83-M118 VanDerWaalsContact CZ-CE 3.49Å; F83-M118 HydrophobicContact CZ-CG 4.42Å; F83-M118 HydrophobicContact CZ-SD 4.11Å; F83-P123 HydrophobicContact CB-CG 4.13Å; F83-P123 HydrophobicContact CD2-CB 3.63Å; F83-P123 HydrophobicContact CD2-CG 3.5Å; F83-P123 VanDerWaalsContact CD2-CG 3.5Å; F83-P123 HydrophobicContact CE2-CB 3.85Å; F83-P123 HydrophobicContact CE2-CG 4.02Å; F83-P123 HydrophobicContact CG-CB 4.45Å; F83-P123 HydrophobicContact CG-CG 3.84Å; F83-T126 HydrophobicContact CD2-CG2 4.36Å; F83-T126 HydrophobicContact CE2-CG2 4.12Å
84L97.1Very high94.5Very high0 Ų044.9 Ų44.90%025%0.249CC..Hα-helixtrans-58.3-45.4176.6-65.4-171.6000112V60 L67 A69 V80 F81 K86 I87 V88V60-L84 HydrophobicContact CG1-CB 4.33Å; V60-L84 HydrophobicContact CG1-CD1 4.26Å; V60-L84 HydrophobicContact CG2-CB 4.07Å; V60-L84 HydrophobicContact CG2-CD1 4.39Å; L67-L84 HydrophobicContact CD1-CD2 4.28Å; L67-L84 HydrophobicContact CD2-CB 3.92Å; L67-L84 HydrophobicContact CD2-CD2 4.01Å; L67-L84 HydrophobicContact CD2-CG 4.48Å; L67-L84 VanDerWaalsContact CD2-O 3.27Å; L67-L84 WeakPolarHBondContact CD2-O 3.41Å; L67-L84 HydrophobicContact CG-CB 4.42Å; L67-L84 HydrophobicContact CG-CD2 3.88Å; A69-L84 HydrophobicContact CB-CD1 4.41Å; A69-L84 HydrophobicContact CB-CD2 3.97Å; V80-L84 HydrophobicContact CG1-CD1 4.45Å; V80-L84 HydrophobicContact CG1-CG 4.38Å; V80-L84 WeakPolarHBondContact O-CG 3.4Å; V80-L84 PolarHBondContact O-N 3.22Å; F81-L84 HydrophobicContact CD1-CD1 4.45Å; F81-L84 PolarHBondContact O-N 3.36Å; F81-L84 VanDerWaalsContact O-N 3.15Å; L84-K86 VanDerWaalsContact C-N 3.26Å; L84-K86 PolarHBondContact O-N 3.2Å; L84-I87 HydrophobicContact CD2-CD1 4.36Å; L84-I87 PolarHBondContact O-N 2.71Å; L84-V88 PolarHBondContact O-N 2.7Å
85Y96.6Very high94.6Very high150 Ų15038.2 Ų38.259%0.58821%0.212SC*.Hα-helixtrans-64-33.5173.9-73.2-65000112.2V60 F81 F83 V88 E89V60-Y85 HydrophobicContact CG1-CE1 4.17Å; V60-Y85 HydrophobicContact CG1-CE2 4.09Å; F81-Y85 HydrophobicContact CB-CE2 4.43Å; F81-Y85 WeakPolarHBondContact O-CD2 3.4Å; F81-Y85 PolarHBondContact O-N 2.96Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 PolarHBondContact O-N 3.29Å; Y85-V88 WeakPolarHBondContact O-CB 3.21Å; Y85-V88 PolarHBondContact O-N 2.78Å; Y85-E89 PolarHBondContact O-N 3.17Å
86K95.5Very high94.7Very high49 Ų4947.1 Ų47.121%0.21325%0.251CS..Hα-helixtrans-69.5-35.4176-164.264.6-176.4176.60112.9A82 F83 L84 V88 E89 V90 T126A82-K86 WeakPolarHBondContact O-CB 3.36Å; A82-K86 PolarHBondContact O-N 3.12Å; F83-K86 CarbonylContact O-C 3.57Å; F83-K86 WeakPolarHBondContact O-CA 3.18Å; F83-K86 WeakPolarHBondContact O-CB 3.24Å; F83-K86 PolarHBondContact O-N 2.87Å; L84-K86 VanDerWaalsContact C-N 3.26Å; L84-K86 PolarHBondContact O-N 3.2Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-E89 HydrophobicContact CD-CB 4.49Å; K86-E89 VanDerWaalsContact CD-OE2 3.26Å; K86-E89 WeakPolarHBondContact CD-OE2 3.32Å; K86-E89 IonicContact NZ-OE1 3.27Å; K86-E89 PolarHBondContact NZ-OE1 3.28Å; K86-E89 IonicContact NZ-OE2 3.2Å; K86-E89 PolarHBondContact NZ-OE2 3.42Å; K86-E89 PolarHBondContact O-N 3.12Å; K86-V90 VanDerWaalsContact O-CG2 3.31Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 3.17Å; K86-T126 WeakPolarHBondContact CE-O 3.38Å; K86-T126 HydrophobicContact CG-CG2 4.27Å
87I96.8Very high94.6Very high2 Ų249.2 Ų49.21%0.0126%0.257CS..Hα-helixtrans-59.1-48170.2-62.1178.5000109.6V6 F8 L67 F83 L84 E89 V90 F91 I117V6-I87 HydrophobicContact CG1-CD1 4.04Å; F8-I87 HydrophobicContact CE2-CG2 4.04Å; F8-I87 HydrophobicContact CZ-CG2 3.76Å; L67-I87 HydrophobicContact CD1-CD1 4.43Å; L67-I87 HydrophobicContact CD2-CB 4.09Å; L67-I87 HydrophobicContact CD2-CD1 4.38Å; L67-I87 HydrophobicContact CD2-CG2 4.27Å; F83-I87 HydrophobicContact CD1-CD1 4.05Å; F83-I87 HydrophobicContact CD1-CG1 4.35Å; F83-I87 HydrophobicContact CE1-CD1 3.51Å; F83-I87 HydrophobicContact CE1-CG1 3.96Å; F83-I87 HydrophobicContact CE2-CG1 4.24Å; F83-I87 HydrophobicContact CZ-CD1 3.83Å; F83-I87 HydrophobicContact CZ-CG1 3.88Å; F83-I87 WeakPolarHBondContact O-CG1 3.43Å; F83-I87 PolarHBondContact O-N 2.68Å; L84-I87 HydrophobicContact CD2-CD1 4.36Å; L84-I87 PolarHBondContact O-N 2.71Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.95Å; I87-V90 PolarHBondContact O-N 2.87Å; I87-F91 HydrophobicContact CG2-CD1 4.02Å; I87-F91 HydrophobicContact CG2-CD2 4.17Å; I87-F91 HydrophobicContact CG2-CE1 3.85Å; I87-F91 HydrophobicContact CG2-CE2 4.02Å; I87-F91 HydrophobicContact CG2-CG 4.18Å; I87-F91 HydrophobicContact CG2-CZ 3.84Å; I87-F91 WeakPolarHBondContact O-CB 3.46Å; I87-F91 WeakPolarHBondContact O-CD1 3.4Å; I87-F91 WeakPolarHBondContact O-CG 3.13Å; I87-F91 PolarHBondContact O-N 2.9Å; I87-I117 HydrophobicContact CD1-CD1 4.33Å; I87-I117 HydrophobicContact CG1-CD1 3.94Å
88V96.6Very high94.6Very high13 Ų1347 Ų478%0.07924%0.244CC..Hα-helixtrans-58.1-44.2178.3172.70000111H62 L67 L84 Y85 K86 S92 L98H62-V88 HydrophobicContact CB-CG2 4.43Å; L67-V88 HydrophobicContact CD2-CG2 3.91Å; L84-V88 PolarHBondContact O-N 2.7Å; Y85-V88 WeakPolarHBondContact O-CB 3.21Å; Y85-V88 PolarHBondContact O-N 2.78Å; K86-V88 VanDerWaalsContact C-N 3.33Å; V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.41Å; V88-S92 PolarHBondContact O-N 2.81Å; V88-S92 PolarHBondContact O-OG 2.89Å; V88-L98 HydrophobicContact CB-CD2 4.32Å; V88-L98 HydrophobicContact CG1-CD2 4.16Å; V88-L98 HydrophobicContact CG2-CD2 4.22Å
89E94.7Very high94.7Very high93 Ų9347 Ų4744%0.43523%0.232SC..Hα-helixtrans-60.7-53.9175.9-170.7-170.4147.700111.8Y85 K86 I87 F91 S92 D93Y85-E89 PolarHBondContact O-N 3.17Å; K86-E89 HydrophobicContact CD-CB 4.49Å; K86-E89 VanDerWaalsContact CD-OE2 3.26Å; K86-E89 WeakPolarHBondContact CD-OE2 3.32Å; K86-E89 IonicContact NZ-OE1 3.27Å; K86-E89 PolarHBondContact NZ-OE1 3.28Å; K86-E89 IonicContact NZ-OE2 3.2Å; K86-E89 PolarHBondContact NZ-OE2 3.42Å; K86-E89 PolarHBondContact O-N 3.12Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.95Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 3.07Å; E89-S92 WeakPolarHBondContact O-CB 3.49Å; E89-S92 PolarHBondContact O-N 3.05Å; E89-S92 VanDerWaalsContact O-N 3.15Å; E89-D93 PolarHBondContact O-N 3.19Å
90V95.4Very high94.7Very high1 Ų147.9 Ų47.91%0.00623%0.231CC..Hα-helixtrans-59.1-44.1-179.9172.20000110.9K86 I87 S92 D93 Y94 L113 T126 L131K86-V90 VanDerWaalsContact O-CG2 3.31Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 3.17Å; I87-V90 PolarHBondContact O-N 2.87Å; V90-S92 VanDerWaalsContact C-N 3.32Å; V90-S92 PolarHBondContact O-N 2.79Å; V90-D93 WeakPolarHBondContact O-CB 3.43Å; V90-D93 PolarHBondContact O-N 2.74Å; V90-Y94 HydrophobicContact CG1-CD2 4.29Å; V90-Y94 HydrophobicContact CG1-CE2 4.2Å; V90-Y94 VanDerWaalsContact O-CD2 3.31Å; V90-Y94 WeakPolarHBondContact O-CD2 3.23Å; V90-Y94 PolarHBondContact O-N 3.16Å; V90-L113 HydrophobicContact CG1-CD2 4.27Å; V90-T126 WeakPolarHBondContact CG2-O 3.3Å; V90-L131 HydrophobicContact CG1-CD1 3.85Å
91F95.6Very high94.6Very high0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-70.4-33-178.8-75.423.3000111.2F8 I87 E89 D93 Y94 F95 L98 I110 L113 F114 I117F8-F91 HydrophobicContact CD2-CE2 4.42Å; F8-F91 AromaticContact CE2-CD2 3.99Å; F8-F91 HydrophobicContact CE2-CD2 3.99Å; F8-F91 AromaticContact CE2-CE2 3.44Å; F8-F91 HydrophobicContact CE2-CE2 3.44Å; F8-F91 VanDerWaalsContact CE2-CE2 3.44Å; F8-F91 HydrophobicContact CE2-CZ 4.25Å; F8-F91 AromaticContact CZ-CD2 3.79Å; F8-F91 HydrophobicContact CZ-CD2 3.79Å; F8-F91 AromaticContact CZ-CE2 3.73Å; F8-F91 HydrophobicContact CZ-CE2 3.73Å; I87-F91 HydrophobicContact CG2-CD1 4.02Å; I87-F91 HydrophobicContact CG2-CD2 4.17Å; I87-F91 HydrophobicContact CG2-CE1 3.85Å; I87-F91 HydrophobicContact CG2-CE2 4.02Å; I87-F91 HydrophobicContact CG2-CG 4.18Å; I87-F91 HydrophobicContact CG2-CZ 3.84Å; I87-F91 WeakPolarHBondContact O-CB 3.46Å; I87-F91 WeakPolarHBondContact O-CD1 3.4Å; I87-F91 WeakPolarHBondContact O-CG 3.13Å; I87-F91 PolarHBondContact O-N 2.9Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 3.07Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-Y94 PolarHBondContact O-N 3Å; F91-F95 HydrophobicContact CB-CD2 4.12Å; F91-F95 HydrophobicContact CB-CE2 4.16Å; F91-F95 HydrophobicContact CD2-CE2 4.31Å; F91-F95 HydrophobicContact CG-CE2 4.22Å; F91-F95 WeakPolarHBondContact O-CD2 3.32Å; F91-F95 PolarHBondContact O-N 2.89Å; F91-L98 HydrophobicContact CB-CD1 3.95Å; F91-L98 HydrophobicContact CB-CD2 4.02Å; F91-L98 HydrophobicContact CD2-CD1 4.05Å; F91-I110 HydrophobicContact CE2-CB 4.45Å; F91-I110 HydrophobicContact CE2-CD1 4.36Å; F91-I110 HydrophobicContact CE2-CG1 4.11Å; F91-I110 HydrophobicContact CE2-CG2 3.64Å; F91-I110 HydrophobicContact CZ-CG1 4.45Å; F91-I110 HydrophobicContact CZ-CG2 3.73Å; F91-L113 HydrophobicContact CD1-CD1 4.04Å; F91-L113 HydrophobicContact CE1-CB 3.94Å; F91-L113 HydrophobicContact CE1-CD1 3.85Å; F91-L113 HydrophobicContact CE1-CG 4.49Å; F91-L113 HydrophobicContact CZ-CB 4.44Å; F91-F114 HydrophobicContact CE2-CZ 4.47Å; F91-F114 HydrophobicContact CZ-CD1 4.37Å; F91-F114 HydrophobicContact CZ-CE1 4.05Å; F91-F114 HydrophobicContact CZ-CZ 4.29Å; F91-I117 HydrophobicContact CE1-CD1 4.41Å
92S93.2Very high94.5Very high33 Ų3354 Ų5423%0.23126%0.263CS..Hα-helixtrans-66.3-35.1172.4-57.50000111.8V88 E89 V90 Y94 K96V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.41Å; V88-S92 PolarHBondContact O-N 2.81Å; V88-S92 PolarHBondContact O-OG 2.89Å; E89-S92 WeakPolarHBondContact O-CB 3.49Å; E89-S92 PolarHBondContact O-N 3.05Å; E89-S92 VanDerWaalsContact O-N 3.15Å; V90-S92 VanDerWaalsContact C-N 3.32Å; V90-S92 PolarHBondContact O-N 2.79Å; S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 PolarHBondContact O-N 2.92Å; S92-K96 WeakPolarHBondContact O-CA 3.41Å; S92-K96 PolarHBondContact O-N 2.86Å
93D90.8Very high94.4Very high73 Ų7351 Ų5139%0.3924%0.238SC..Hα-helixtrans-64.2-32173.9-73.6-17.6000112.5E89 V90 F91 Q132E89-D93 PolarHBondContact O-N 3.19Å; V90-D93 WeakPolarHBondContact O-CB 3.43Å; V90-D93 PolarHBondContact O-N 2.74Å; F91-D93 VanDerWaalsContact C-N 3.33Å; D93-Q132 PolarHBondContact O-NE2 2.49Å; D93-Q132 VanDerWaalsContact O-NE2 3.08Å
94Y93.2Very high94.3Very high17 Ų1757 Ų577%0.06726%0.26CS..Hα-helixtrans-82.3-41.6177.2-86.4-105.3000113.3V90 F91 S92 V109 L113 L131 Q132 I135 Q137V90-Y94 HydrophobicContact CG1-CD2 4.29Å; V90-Y94 HydrophobicContact CG1-CE2 4.2Å; V90-Y94 VanDerWaalsContact O-CD2 3.31Å; V90-Y94 WeakPolarHBondContact O-CD2 3.23Å; V90-Y94 PolarHBondContact O-N 3.16Å; F91-Y94 PolarHBondContact O-N 3Å; S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 PolarHBondContact O-N 2.92Å; Y94-V109 HydrophobicContact CD1-CG1 4.1Å; Y94-V109 HydrophobicContact CE1-CG1 4.15Å; Y94-L113 HydrophobicContact CD1-CD1 4.32Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CE1-CD1 4.4Å; Y94-L113 HydrophobicContact CE1-CD2 4.35Å; Y94-L113 HydrophobicContact CE2-CD1 4.38Å; Y94-L113 HydrophobicContact CE2-CD2 3.83Å; Y94-L113 HydrophobicContact CG-CD1 4.26Å; Y94-L131 HydrophobicContact CE2-CB 4.3Å; Y94-L131 VanDerWaalsContact OH-CB 3.31Å; Y94-L131 WeakPolarHBondContact OH-CB 3.45Å; Y94-L131 PolarHBondContact OH-O 3.27Å; Y94-Q132 HydrophobicContact CD1-CG 4.39Å; Y94-Q132 HydrophobicContact CD2-CG 4.1Å; Y94-Q132 HydrophobicContact CE1-CG 3.85Å; Y94-Q132 HydrophobicContact CE2-CG 3.54Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.4Å; Y94-Q132 VanDerWaalsContact OH-CA 3.3Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.48Å; Y94-Q132 PolarHBondContact OH-N 3.1Å; Y94-I135 HydrophobicContact CE1-CG2 4.44Å; Y94-I135 WeakPolarHBondContact CE1-O 3.42Å; Y94-I135 PolarHBondContact OH-O 3.48Å; Y94-Q137 HydrophobicContact CD1-CG 4.35Å; Y94-Q137 PolarHBondContact O-NE2 3.21Å
95F92.4Very high94.2Very high26 Ų2662.4 Ų62.411%0.11429%0.289CS..Hα-helixtrans-110.8-4.8-167.5-50.2-52.3000114.3F91 E97 N106 I110F91-F95 HydrophobicContact CB-CD2 4.12Å; F91-F95 HydrophobicContact CB-CE2 4.16Å; F91-F95 HydrophobicContact CD2-CE2 4.31Å; F91-F95 HydrophobicContact CG-CE2 4.22Å; F91-F95 WeakPolarHBondContact O-CD2 3.32Å; F91-F95 PolarHBondContact O-N 2.89Å; F95-E97 PolarHBondContact O-N 2.82Å; F95-N106 HydrophobicContact CD1-CB 4.09Å; F95-N106 HydrophobicContact CE1-CB 3.33Å; F95-N106 HydrophobicContact CZ-CB 3.62Å; F95-I110 HydrophobicContact CE2-CD1 3.91Å; F95-I110 HydrophobicContact CE2-CG1 3.79Å; F95-I110 HydrophobicContact CZ-CD1 4.09Å; F95-I110 HydrophobicContact CZ-CG1 3.7Å
96K90.2Very high94.1Very high192 Ų19257.4 Ų57.484%0.83527%0.272SS*.SBendtrans66.6-52.8-171.7-53171.3-177.1168.30113.6S92S92-K96 WeakPolarHBondContact O-CA 3.41Å; S92-K96 PolarHBondContact O-N 2.86Å
97E92.4Very high93.9Very high136 Ų13660.5 Ų60.564%0.63629%0.286SS*.SBendtrans-120.3125.8175.8-67.1-179170.600109F95 S102F95-E97 PolarHBondContact O-N 2.82Å; E97-S102 WeakPolarHBondContact O-CB 3.41Å; E97-S102 PolarHBondContact O-OG 3.22Å
98L94.2Very high93.8Very high2 Ų264.2 Ų64.21%0.0131%0.308CS..  trans-96.998.9178.7-179.459000109.6F8 T63 L65 V88 F91 I103F8-L98 HydrophobicContact CE1-CD2 4.17Å; F8-L98 HydrophobicContact CZ-CD2 4.48Å; T63-L98 PolarHBondContact OG1-O 2.74Å; L65-L98 HydrophobicContact CD1-CD1 4.18Å; L65-L98 HydrophobicContact CD1-CG 3.88Å; V88-L98 HydrophobicContact CB-CD2 4.32Å; V88-L98 HydrophobicContact CG1-CD2 4.16Å; V88-L98 HydrophobicContact CG2-CD2 4.22Å; F91-L98 HydrophobicContact CB-CD1 3.95Å; F91-L98 HydrophobicContact CB-CD2 4.02Å; F91-L98 HydrophobicContact CD2-CD1 4.05Å; L98-I103 HydrophobicContact CD1-CD1 4.18Å; L98-I103 HydrophobicContact CD1-CG1 3.97Å
99E95Very high93.7Very high72 Ų7264.3 Ų64.334%0.33631%0.309SS..SBendtrans-134.1173.5178.6-57.8-166.4168.700111.1N64 E101 S102 I103N64-E99 WeakPolarHBondContact OD1-CA 3.43Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.22Å; E99-S102 WeakPolarHBondContact O-CB 3.21Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-I103 PolarHBondContact O-N 2.86Å
100E94.9Very high93.7Very high45 Ų4559.9 Ų59.921%0.2129%0.288CS..Hα-helixtrans-53.3-41.1178-178178.8149.600113.4I16 N64 L65 I103 R104I16-E100 HydrophobicContact CD1-CB 4.25Å; I16-E100 HydrophobicContact CD1-CG 3.83Å; I16-E100 HydrophobicContact CG1-CG 4.48Å; N64-E100 PolarHBondContact OD1-N 3.28Å; L65-E100 HydrophobicContact CD2-CB 4.22Å; E100-I103 PolarHBondContact O-N 2.94Å; E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 2.88Å; E100-R104 IonicContact OE1-CZ 2.68Å; E100-R104 IonicContact OE1-NH1 3.9Å; E100-R104 PolarHBondContact OE1-NH1 2.94Å; E100-R104 IonicContact OE1-NH2 2.71Å; E100-R104 PolarHBondContact OE1-NH2 2.78Å
101E93.7Very high93.7Very high137 Ų13764.1 Ų64.164%0.6431%0.305SS*.Hα-helixtrans-65.5-46.8177.6-173171-169.900111.4E99 I103 R104 D105E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.22Å; E101-I103 PolarHBondContact O-N 3.38Å; E101-I103 VanDerWaalsContact O-N 3.17Å; E101-R104 PolarHBondContact O-N 2.81Å; E101-D105 PolarHBondContact O-N 2.95Å
102S94.1Very high93.7Very high22 Ų2268.5 Ų68.515%0.15433%0.325CS..Hα-helixtrans-54.6-38.6177.2-47.70000112.3E97 E99 N106E97-S102 WeakPolarHBondContact O-CB 3.41Å; E97-S102 PolarHBondContact O-OG 3.22Å; E99-S102 WeakPolarHBondContact O-CB 3.21Å; E99-S102 PolarHBondContact O-N 3.31Å; S102-N106 WeakPolarHBondContact O-CB 3.27Å; S102-N106 PolarHBondContact O-N 2.81Å; S102-N106 PolarHBondContact O-ND2 2.77Å
103I94.6Very high93.8Very high1 Ų166.9 Ų66.91%0.00531%0.314CS..Hα-helixtrans-72.2-43.6178.4-63.1179.1000111.7F8 I16 I17 L65 L98 E99 E100 E101 N106 F107 I110F8-I103 HydrophobicContact CB-CD1 3.76Å; F8-I103 HydrophobicContact CD1-CD1 3.48Å; F8-I103 VanDerWaalsContact CD1-CD1 3.48Å; F8-I103 HydrophobicContact CD2-CD1 4.18Å; F8-I103 HydrophobicContact CE1-CD1 4.04Å; F8-I103 HydrophobicContact CG-CD1 3.56Å; I16-I103 HydrophobicContact CB-CG2 4.34Å; I16-I103 HydrophobicContact CG2-CB 4.04Å; I16-I103 HydrophobicContact CG2-CG2 3.48Å; I16-I103 VanDerWaalsContact CG2-CG2 3.48Å; I17-I103 HydrophobicContact CB-CG2 4.12Å; I17-I103 HydrophobicContact CG2-CG2 3.54Å; L65-I103 HydrophobicContact CD1-CD1 3.59Å; L65-I103 HydrophobicContact CD1-CG1 4.45Å; L65-I103 HydrophobicContact CD2-CD1 3.94Å; L65-I103 HydrophobicContact CG-CD1 4.41Å; L98-I103 HydrophobicContact CD1-CD1 4.18Å; L98-I103 HydrophobicContact CD1-CG1 3.97Å; E99-I103 PolarHBondContact O-N 2.86Å; E100-I103 PolarHBondContact O-N 2.94Å; E101-I103 PolarHBondContact O-N 3.38Å; E101-I103 VanDerWaalsContact O-N 3.17Å; I103-N106 PolarHBondContact O-N 2.85Å; I103-F107 PolarHBondContact O-N 3.1Å; I103-I110 HydrophobicContact CB-CD1 4.04Å; I103-I110 HydrophobicContact CG1-CD1 4.09Å; I103-I110 HydrophobicContact CG2-CD1 3.88Å
104R94.2Very high94.1Very high133 Ų13363.4 Ų63.450%0.50230%0.296SS..Hα-helixtrans-64.7-40.3-179.3-75.8-175.3175.8141.19.8112.4I16 E100 E101 N106 F107I16-R104 HydrophobicContact CG2-CG 4.05Å; E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 2.88Å; E100-R104 IonicContact OE1-CZ 2.68Å; E100-R104 IonicContact OE1-NH1 3.9Å; E100-R104 PolarHBondContact OE1-NH1 2.94Å; E100-R104 IonicContact OE1-NH2 2.71Å; E100-R104 PolarHBondContact OE1-NH2 2.78Å; E101-R104 PolarHBondContact O-N 2.81Å; R104-N106 VanDerWaalsContact C-N 3.35Å; R104-F107 WeakPolarHBondContact O-CD1 3.24Å
105D93.7Very high94.2Very high113 Ų11366.2 Ų66.260%0.60431%0.312SS*.Hα-helixtrans-77.1-23.8-176.3-69.5-12.2000112.8E101E101-D105 PolarHBondContact O-N 2.95Å
106N93.8Very high94.3Very high45 Ų4568.7 Ų68.724%0.24132%0.324CS..THydrogen-bonded Turntrans-115.924-174.3-59.5-80.4000113.7F95 S102 I103 R104 V108 V109 I110F95-N106 HydrophobicContact CD1-CB 4.09Å; F95-N106 HydrophobicContact CE1-CB 3.33Å; F95-N106 HydrophobicContact CZ-CB 3.62Å; S102-N106 WeakPolarHBondContact O-CB 3.27Å; S102-N106 PolarHBondContact O-N 2.81Å; S102-N106 PolarHBondContact O-ND2 2.77Å; I103-N106 PolarHBondContact O-N 2.85Å; R104-N106 VanDerWaalsContact C-N 3.35Å; N106-V108 PolarHBondContact O-N 3.01Å; N106-V108 VanDerWaalsContact O-N 3.12Å; N106-V109 PolarHBondContact O-N 3.17Å; N106-V109 VanDerWaalsContact O-N 3.15Å; N106-I110 HydrophobicContact CB-CD1 4.39Å; N106-I110 WeakPolarHBondContact O-CG1 3.44Å; N106-I110 PolarHBondContact O-N 3Å
107F93.3Very high94.5Very high115 Ų11559.6 Ų59.650%0.50428%0.284SS..Hα-helixtrans-55-35.4-172.871.2-86.3000114.1I17 I103 R104 I110 Y111I17-F107 HydrophobicContact CD1-CB 4.32Å; I103-F107 PolarHBondContact O-N 3.1Å; R104-F107 WeakPolarHBondContact O-CD1 3.24Å; F107-I110 PolarHBondContact O-N 2.75Å; F107-Y111 HydrophobicContact CD2-CD2 4.41Å; F107-Y111 HydrophobicContact CD2-CE2 4.43Å; F107-Y111 WeakPolarHBondContact O-CD2 3.28Å; F107-Y111 PolarHBondContact O-N 3.41Å
108V94Very high94.7Very high79 Ų7953.2 Ų53.248%0.47926%0.255SS..Hα-helixtrans-61.8-54178.3-179.90000110.7N106 I110 Y111 E112N106-V108 PolarHBondContact O-N 3.01Å; N106-V108 VanDerWaalsContact O-N 3.12Å; V108-I110 VanDerWaalsContact C-N 3.26Å; V108-I110 PolarHBondContact O-N 2.97Å; V108-Y111 PolarHBondContact O-N 2.73Å; V108-E112 PolarHBondContact O-N 2.86Å; V108-E112 VanDerWaalsContact O-N 3.15Å
109V93.9Very high94.7Very high15 Ų1558.1 Ų58.19%0.09128%0.281CS..Hα-helixtrans-62.8-36.2179.3178.60000110.7Y94 N106 E112 L113 I135 Q137Y94-V109 HydrophobicContact CD1-CG1 4.1Å; Y94-V109 HydrophobicContact CE1-CG1 4.15Å; N106-V109 PolarHBondContact O-N 3.17Å; N106-V109 VanDerWaalsContact O-N 3.15Å; V109-E112 PolarHBondContact O-N 2.71Å; V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.33Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.32Å; V109-L113 PolarHBondContact O-N 3.44Å; V109-I135 HydrophobicContact CG1-CG2 4.1Å; V109-Q137 HydrophobicContact CG1-CG 4.49Å; V109-Q137 HydrophobicContact CG2-CG 4.3Å
110I95.5Very high94.7Very high0 Ų059.3 Ų59.30%029%0.285CS..Hα-helixtrans-66.7-38.2178-68.2172.4000111.9I17 F91 F95 I103 N106 F107 V108 L113 F114I17-I110 HydrophobicContact CD1-CB 4.07Å; I17-I110 HydrophobicContact CD1-CG2 3.63Å; I17-I110 HydrophobicContact CG2-CG2 4.3Å; F91-I110 HydrophobicContact CE2-CB 4.45Å; F91-I110 HydrophobicContact CE2-CD1 4.36Å; F91-I110 HydrophobicContact CE2-CG1 4.11Å; F91-I110 HydrophobicContact CE2-CG2 3.64Å; F91-I110 HydrophobicContact CZ-CG1 4.45Å; F91-I110 HydrophobicContact CZ-CG2 3.73Å; F95-I110 HydrophobicContact CE2-CD1 3.91Å; F95-I110 HydrophobicContact CE2-CG1 3.79Å; F95-I110 HydrophobicContact CZ-CD1 4.09Å; F95-I110 HydrophobicContact CZ-CG1 3.7Å; I103-I110 HydrophobicContact CB-CD1 4.04Å; I103-I110 HydrophobicContact CG1-CD1 4.09Å; I103-I110 HydrophobicContact CG2-CD1 3.88Å; N106-I110 HydrophobicContact CB-CD1 4.39Å; N106-I110 WeakPolarHBondContact O-CG1 3.44Å; N106-I110 PolarHBondContact O-N 3Å; F107-I110 PolarHBondContact O-N 2.75Å; V108-I110 VanDerWaalsContact C-N 3.26Å; V108-I110 PolarHBondContact O-N 2.97Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-F114 HydrophobicContact CG2-CD2 3.82Å; I110-F114 HydrophobicContact CG2-CE2 3.58Å; I110-F114 HydrophobicContact CG2-CZ 4.19Å; I110-F114 WeakPolarHBondContact O-CB 3.43Å; I110-F114 WeakPolarHBondContact O-CD2 3.08Å; I110-F114 WeakPolarHBondContact O-CG 3.44Å; I110-F114 PolarHBondContact O-N 2.63Å
111Y95.9Very high94.5Very high91 Ų9157.2 Ų57.236%0.35728%0.275SS..Hα-helixtrans-65.3-41.4173.8-82.1-61.2000112.1I17 N18 F107 V108 F114 D115I17-Y111 HydrophobicContact CD1-CD1 4.22Å; I17-Y111 HydrophobicContact CD1-CD2 3.8Å; I17-Y111 HydrophobicContact CD1-CE1 3.98Å; I17-Y111 HydrophobicContact CD1-CE2 3.52Å; I17-Y111 HydrophobicContact CD1-CG 4.13Å; I17-Y111 HydrophobicContact CG1-CD1 4.5Å; I17-Y111 HydrophobicContact CG1-CE1 3.85Å; I17-Y111 HydrophobicContact CG1-CE2 3.99Å; N18-Y111 WeakPolarHBondContact O-CE1 3.34Å; F107-Y111 HydrophobicContact CD2-CD2 4.41Å; F107-Y111 HydrophobicContact CD2-CE2 4.43Å; F107-Y111 WeakPolarHBondContact O-CD2 3.28Å; F107-Y111 PolarHBondContact O-N 3.41Å; V108-Y111 PolarHBondContact O-N 2.73Å; Y111-F114 PolarHBondContact O-N 2.87Å; Y111-D115 PolarHBondContact O-N 2.89Å
112E94.7Very high94.5Very high91 Ų9156.1 Ų56.143%0.42527%0.266SS..Hα-helixtrans-61.4-45.5173.4-67.8178.1-177.400111.3V108 V109 F114 D115 E116 I135V108-E112 PolarHBondContact O-N 2.86Å; V108-E112 VanDerWaalsContact O-N 3.15Å; V109-E112 PolarHBondContact O-N 2.71Å; E112-F114 VanDerWaalsContact C-N 3.35Å; E112-F114 PolarHBondContact O-N 2.73Å; E112-D115 PolarHBondContact O-N 2.85Å; E112-E116 WeakPolarHBondContact O-CG 3.34Å; E112-E116 PolarHBondContact O-N 2.8Å; E112-E116 VanDerWaalsContact O-N 3.13Å; E112-I135 HydrophobicContact CB-CG2 4.09Å
113L96.2Very high94.6Very high0 Ų057.2 Ų57.20%027%0.272CS..Hα-helixtrans-59.5-44.8175.1-75.1169.6000111.4V90 F91 Y94 V109 I110 D115 E116 I117 L131 I135V90-L113 HydrophobicContact CG1-CD2 4.27Å; F91-L113 HydrophobicContact CD1-CD1 4.04Å; F91-L113 HydrophobicContact CE1-CB 3.94Å; F91-L113 HydrophobicContact CE1-CD1 3.85Å; F91-L113 HydrophobicContact CE1-CG 4.49Å; F91-L113 HydrophobicContact CZ-CB 4.44Å; Y94-L113 HydrophobicContact CD1-CD1 4.32Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CE1-CD1 4.4Å; Y94-L113 HydrophobicContact CE1-CD2 4.35Å; Y94-L113 HydrophobicContact CE2-CD1 4.38Å; Y94-L113 HydrophobicContact CE2-CD2 3.83Å; Y94-L113 HydrophobicContact CG-CD1 4.26Å; V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.33Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.32Å; V109-L113 PolarHBondContact O-N 3.44Å; I110-L113 PolarHBondContact O-N 2.88Å; L113-D115 PolarHBondContact O-N 2.55Å; L113-E116 PolarHBondContact O-N 2.87Å; L113-I117 WeakPolarHBondContact O-CB 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.33Å; L113-I117 VanDerWaalsContact O-CG2 3.24Å; L113-I117 WeakPolarHBondContact O-CG2 3.11Å; L113-I117 PolarHBondContact O-N 2.92Å; L113-L131 HydrophobicContact CD2-CB 4.44Å; L113-L131 HydrophobicContact CD2-CD1 4.15Å; L113-I135 HydrophobicContact CD2-CD1 3.87Å; L113-I135 HydrophobicContact CD2-CG2 4.29Å; L113-I135 HydrophobicContact CG-CG2 4.3Å
114F96.2Very high94.5Very high0 Ų062.2 Ų62.20%030%0.296CS..Hα-helixtrans-58.6-35.8178.9-85.2-40.1000113.4V6 F8 I17 R19 Y21 F91 I110 Y111 E112 I117V6-F114 HydrophobicContact CG1-CE1 4.08Å; V6-F114 HydrophobicContact CG1-CZ 4.45Å; F8-F114 AromaticContact CD2-CZ 3.77Å; F8-F114 HydrophobicContact CD2-CZ 3.77Å; F8-F114 HydrophobicContact CE2-CE1 4.15Å; F8-F114 AromaticContact CE2-CZ 3.68Å; F8-F114 HydrophobicContact CE2-CZ 3.68Å; I17-F114 HydrophobicContact CD1-CE2 4.37Å; I17-F114 HydrophobicContact CG1-CE2 4.11Å; I17-F114 HydrophobicContact CG2-CE2 4.01Å; I17-F114 HydrophobicContact CG2-CZ 4.44Å; R19-F114 HydrophobicContact CB-CB 4.07Å; R19-F114 HydrophobicContact CB-CD1 4.47Å; R19-F114 HydrophobicContact CB-CD2 3.96Å; R19-F114 HydrophobicContact CB-CE2 4.49Å; R19-F114 HydrophobicContact CB-CG 3.95Å; R19-F114 HydrophobicContact CG-CB 4.02Å; R19-F114 HydrophobicContact CG-CG 4.45Å; Y21-F114 WeakPolarHBondContact CE1-O 3.39Å; Y21-F114 WeakPolarHBondContact OH-CD1 3.39Å; Y21-F114 PolarHBondContact OH-O 2.93Å; F91-F114 HydrophobicContact CE2-CZ 4.47Å; F91-F114 HydrophobicContact CZ-CD1 4.37Å; F91-F114 HydrophobicContact CZ-CE1 4.05Å; F91-F114 HydrophobicContact CZ-CZ 4.29Å; I110-F114 HydrophobicContact CG2-CD2 3.82Å; I110-F114 HydrophobicContact CG2-CE2 3.58Å; I110-F114 HydrophobicContact CG2-CZ 4.19Å; I110-F114 WeakPolarHBondContact O-CB 3.43Å; I110-F114 WeakPolarHBondContact O-CD2 3.08Å; I110-F114 WeakPolarHBondContact O-CG 3.44Å; I110-F114 PolarHBondContact O-N 2.63Å; Y111-F114 PolarHBondContact O-N 2.87Å; E112-F114 VanDerWaalsContact C-N 3.35Å; E112-F114 PolarHBondContact O-N 2.73Å; F114-I117 HydrophobicContact CD1-CD1 3.96Å
115D94.6Very high94.5Very high76 Ų7657 Ų5741%0.40628%0.279SS..Hα-helixtrans-74.6-31.9179.1-74.3-8.9000112.5R19 Y111 E112 L113R19-D115 IonicContact CZ-OD1 3.18Å; R19-D115 IonicContact CZ-OD2 2.66Å; R19-D115 IonicContact NE-OD1 2.66Å; R19-D115 PolarHBondContact NE-OD1 3.01Å; R19-D115 VanDerWaalsContact NH2-CG 3.31Å; R19-D115 IonicContact NH2-OD1 3.42Å; R19-D115 PolarHBondContact NH2-OD1 2.86Å; R19-D115 IonicContact NH2-OD2 2.99Å; R19-D115 PolarHBondContact NH2-OD2 3.34Å; Y111-D115 PolarHBondContact O-N 2.89Å; E112-D115 PolarHBondContact O-N 2.85Å; L113-D115 PolarHBondContact O-N 2.55Å
116E94.2Very high94.5Very high77 Ų7753.4 Ų53.436%0.3626%0.261SS..Hα-helixtrans-87.2-30.8-178.1-71.4-70.9144.100113.3E112 L113 L131 Y134 I135E112-E116 WeakPolarHBondContact O-CG 3.34Å; E112-E116 PolarHBondContact O-N 2.8Å; E112-E116 VanDerWaalsContact O-N 3.13Å; L113-E116 PolarHBondContact O-N 2.87Å; E116-L131 HydrophobicContact CB-CD2 4.12Å; E116-Y134 HydrophobicContact CG-CE2 4.14Å; E116-Y134 VanDerWaalsContact OE2-CE2 3.31Å; E116-Y134 WeakPolarHBondContact OE2-CE2 3.44Å; E116-Y134 PolarHBondContact OE2-OH 3.29Å; E116-I135 HydrophobicContact CB-CD1 3.73Å; E116-I135 HydrophobicContact CG-CD1 3.64Å; E116-I135 HydrophobicContact CG-CG1 4.43Å
117I95.9Very high94.4Very high2 Ų252.3 Ų52.31%0.0126%0.255CS..Hα-helixtrans-81.3-21.4-17768.6-173.8000113.6F83 I87 F91 L113 F114 P123 Q124 T125 T126 L131F83-I117 HydrophobicContact CE2-CB 4.38Å; F83-I117 HydrophobicContact CE2-CG1 4.29Å; F83-I117 HydrophobicContact CZ-CD1 4.11Å; F83-I117 HydrophobicContact CZ-CG1 3.96Å; I87-I117 HydrophobicContact CD1-CD1 4.33Å; I87-I117 HydrophobicContact CG1-CD1 3.94Å; F91-I117 HydrophobicContact CE1-CD1 4.41Å; L113-I117 WeakPolarHBondContact O-CB 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.33Å; L113-I117 VanDerWaalsContact O-CG2 3.24Å; L113-I117 WeakPolarHBondContact O-CG2 3.11Å; L113-I117 PolarHBondContact O-N 2.92Å; F114-I117 HydrophobicContact CD1-CD1 3.96Å; I117-P123 CarbonylContact O-C 3.59Å; I117-P123 VanDerWaalsContact O-CA 3.31Å; I117-P123 WeakPolarHBondContact O-CA 3.49Å; I117-Q124 PolarHBondContact O-N 2.92Å; I117-T125 WeakPolarHBondContact CA-O 3.33Å; I117-T125 WeakPolarHBondContact CG2-O 2.99Å; I117-T126 HydrophobicContact CB-CG2 4.39Å; I117-L131 HydrophobicContact CG2-CD1 3.85Å
118M95.4Very high94.3Very high2 Ų246.9 Ų46.91%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-151.8134.2-177.9173.3172.4-79.800111.5M1 C3 Y21 F83 Y122 P123M1-M118 HydrophobicContact SD-CE 3.84Å; C3-M118 HydrophobicContact CB-CE 4Å; C3-M118 HydrophobicContact CB-SD 3.91Å; Y21-M118 HydrophobicContact CD1-CB 4.32Å; Y21-M118 HydrophobicContact CD1-CG 3.83Å; Y21-M118 HydrophobicContact CD1-SD 4.28Å; Y21-M118 HydrophobicContact CD2-CG 4.23Å; Y21-M118 HydrophobicContact CD2-SD 3.58Å; Y21-M118 VanDerWaalsContact CD2-SD 3.58Å; Y21-M118 HydrophobicContact CE1-CB 3.73Å; Y21-M118 HydrophobicContact CE1-CG 3.74Å; Y21-M118 WeakPolarHBondContact CE1-O 3.26Å; Y21-M118 HydrophobicContact CE1-SD 4.27Å; Y21-M118 HydrophobicContact CE2-CB 4.42Å; Y21-M118 HydrophobicContact CE2-CG 4.14Å; Y21-M118 HydrophobicContact CE2-SD 3.56Å; Y21-M118 VanDerWaalsContact CE2-SD 3.56Å; Y21-M118 HydrophobicContact CG-CG 4.07Å; Y21-M118 HydrophobicContact CG-SD 3.95Å; F83-M118 HydrophobicContact CD1-CE 3.39Å; F83-M118 HydrophobicContact CD2-CE 4.33Å; F83-M118 HydrophobicContact CE1-CB 4.35Å; F83-M118 HydrophobicContact CE1-CE 3.08Å; F83-M118 HydrophobicContact CE1-SD 3.79Å; F83-M118 HydrophobicContact CE2-CB 4.31Å; F83-M118 HydrophobicContact CE2-CE 4.1Å; F83-M118 HydrophobicContact CG-CE 4.01Å; F83-M118 HydrophobicContact CZ-CB 3.68Å; F83-M118 HydrophobicContact CZ-CE 3.49Å; F83-M118 VanDerWaalsContact CZ-CE 3.49Å; F83-M118 HydrophobicContact CZ-CG 4.42Å; F83-M118 HydrophobicContact CZ-SD 4.11Å; M118-Y122 WeakPolarHBondContact CA-O 3.26Å; M118-P123 HydrophobicContact CE-CG 3.96Å
119D94.8Very high94Very high105 Ų10546.3 Ų46.356%0.56122%0.223SC*.EExtended strand (participates in β ladder)trans-123.8128.3171.5-176.516.5000109.7G121 Y122 Q124D119-G121 PolarHBondContact O-N 2.88Å; D119-Y122 PolarHBondContact N-O 2.92Å; D119-Y122 WeakPolarHBondContact O-CB 3.44Å; D119-Y122 PolarHBondContact O-N 2.81Å; D119-Q124 HydrophobicContact CB-CG 3.96Å
120F94.2Very high93.9Very high97 Ų9745.8 Ų45.843%0.42522%0.22SC..THydrogen-bonded Turntrans48.630.6178.4-160.8-116.2000115.7Y21 R22 Y122Y21-F120 WeakPolarHBondContact O-CD2 3.5Å; R22-F120 HydrophobicContact CB-CE2 4.19Å; R22-F120 HydrophobicContact CG-CD2 4.05Å; R22-F120 HydrophobicContact CG-CE2 4.06Å; F120-Y122 HydrophobicContact CB-CD2 4.43Å; F120-Y122 HydrophobicContact CD1-CE2 4.05Å
121G92.3Very high93.7Very high0 Ų045.8 Ų45.80%022%0.22CC..THydrogen-bonded Turntrans88.57.7-17900000115.3M1 C3 D119M1-G121 CarbonylContact C-O 3.55Å; C3-G121 WeakPolarHBondContact O-CA 3.5Å; D119-G121 PolarHBondContact O-N 2.88Å
122Y93.5Very high93.5Very high114 Ų11445.1 Ų45.145%0.44722%0.22SC..EExtended strand (participates in β ladder)trans-110.7119175.1-57.6-80.2000109.8M1 M118 D119 F120 Q124M1-Y122 WeakPolarHBondContact O-CE1 3.18Å; M118-Y122 WeakPolarHBondContact CA-O 3.26Å; D119-Y122 PolarHBondContact N-O 2.92Å; D119-Y122 WeakPolarHBondContact O-CB 3.44Å; D119-Y122 PolarHBondContact O-N 2.81Å; F120-Y122 HydrophobicContact CB-CD2 4.43Å; F120-Y122 HydrophobicContact CD1-CE2 4.05Å; Y122-Q124 PolarHBondContact O-NE2 2.89Å
123P94.8Very high93.1Very high45 Ų4545.1 Ų45.129%0.29222%0.22SC..EExtended strand (participates in β ladder)trans-59.3138.8174.2-23.433.9000111.3M1 F83 I117 M118 T126M1-P123 HydrophobicContact CE-CG 3.37Å; M1-P123 WeakPolarHBondContact SD-CD 3.47Å; M1-P123 HydrophobicContact SD-CG 3.36Å; M1-P123 WeakPolarHBondContact SD-CG 3.23Å; F83-P123 HydrophobicContact CB-CG 4.13Å; F83-P123 HydrophobicContact CD2-CB 3.63Å; F83-P123 HydrophobicContact CD2-CG 3.5Å; F83-P123 VanDerWaalsContact CD2-CG 3.5Å; F83-P123 HydrophobicContact CE2-CB 3.85Å; F83-P123 HydrophobicContact CE2-CG 4.02Å; F83-P123 HydrophobicContact CG-CB 4.45Å; F83-P123 HydrophobicContact CG-CG 3.84Å; I117-P123 CarbonylContact O-C 3.59Å; I117-P123 VanDerWaalsContact O-CA 3.31Å; I117-P123 WeakPolarHBondContact O-CA 3.49Å; M118-P123 HydrophobicContact CE-CG 3.96Å; P123-T126 HydrophobicContact CB-CG2 4.4Å
124Q93.9Very high92.7Very high106 Ų10646.2 Ų46.250%0.49522%0.224SC..  trans-113-111.3-179.8-56.3-58.2-39.100109.2I117 D119 Y122 T126I117-Q124 PolarHBondContact O-N 2.92Å; D119-Q124 HydrophobicContact CB-CG 3.96Å; Y122-Q124 PolarHBondContact O-NE2 2.89Å; Q124-T126 PolarHBondContact O-N 2.85Å
125T93.1Very high92.4Very high23 Ų2346.5 Ų46.514%0.14123%0.225CC..  trans-84.4115.4-179.8-530000109.7I117 L131 V152I117-T125 WeakPolarHBondContact CA-O 3.33Å; I117-T125 WeakPolarHBondContact CG2-O 2.99Å; T125-L131 HydrophobicContact CG2-CD2 3.69Å; T125-L131 HydrophobicContact CG2-CG 4Å; T125-V152 HydrophobicContact CG2-CG2 4.41Å; T125-V152 WeakPolarHBondContact OG1-CG1 3.41Å
126T93.9Very high91.9Very high39 Ų3945.9 Ų45.924%0.23922%0.224CC..  trans-124.713-177.256.60000113.2F83 K86 V90 I117 P123 Q124 G128F83-T126 HydrophobicContact CD2-CG2 4.36Å; F83-T126 HydrophobicContact CE2-CG2 4.12Å; K86-T126 WeakPolarHBondContact CE-O 3.38Å; K86-T126 HydrophobicContact CG-CG2 4.27Å; V90-T126 WeakPolarHBondContact CG2-O 3.3Å; I117-T126 HydrophobicContact CB-CG2 4.39Å; P123-T126 HydrophobicContact CB-CG2 4.4Å; Q124-T126 PolarHBondContact O-N 2.85Å; T126-G128 PolarHBondContact O-N 2.92Å
127D91.9Very high91.1Very high22 Ų2247 Ų4712%0.11823%0.229CC..  trans-87.3107.5174.1-164.4-51.1000109.4K129 I130 L131 W158D127-K129 PolarHBondContact O-N 2.88Å; D127-K129 PolarHBondContact OD1-N 2.82Å; D127-I130 HydrophobicContact CB-CB 4.15Å; D127-I130 HydrophobicContact CB-CG1 3.95Å; D127-I130 PolarHBondContact O-N 2.88Å; D127-I130 VanDerWaalsContact O-N 3.12Å; D127-L131 WeakPolarHBondContact O-CG 3.48Å; D127-L131 PolarHBondContact O-N 2.85Å; D127-W158 WeakPolarHBondContact OD2-CA 3.41Å; D127-W158 VanDerWaalsContact OD2-CB 3.23Å; D127-W158 WeakPolarHBondContact OD2-CB 3.34Å
128G91.2Very high89.9Confident1 Ų153.3 Ų53.31%0.0126%0.259CS..Hα-helixtrans-54.9-38.8-174.800000113T126 L131 Q132T126-G128 PolarHBondContact O-N 2.92Å; G128-L131 PolarHBondContact O-N 3.35Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.46Å; G128-Q132 PolarHBondContact O-N 2.88Å
129K88.6Confident88Confident67 Ų6757.1 Ų57.129%0.29130%0.299SS..Hα-helixtrans-70.3-34.5-178.9-66.9177.1-175.6161.90112.7D127 D258 E260D127-K129 PolarHBondContact O-N 2.88Å; D127-K129 PolarHBondContact OD1-N 2.82Å; K129-D258 WeakPolarHBondContact CD-O 3.39Å; K129-D258 WeakPolarHBondContact CE-O 3.38Å; K129-D258 PolarHBondContact NZ-O 2.8Å; K129-E260 PolarHBondContact NZ-O 2.8Å
130I90.9Very high85.7Confident4 Ų458.5 Ų58.52%0.02130%0.302CS..Hα-helixtrans-75.1-39.9176.3-57.7-58.7000110.6D127 Q132 E133 A151 V152 S157 T160D127-I130 HydrophobicContact CB-CB 4.15Å; D127-I130 HydrophobicContact CB-CG1 3.95Å; D127-I130 PolarHBondContact O-N 2.88Å; D127-I130 VanDerWaalsContact O-N 3.12Å; I130-Q132 VanDerWaalsContact C-N 3.26Å; I130-Q132 PolarHBondContact O-N 2.66Å; I130-E133 WeakPolarHBondContact O-CB 3.32Å; I130-E133 PolarHBondContact O-N 2.98Å; I130-A151 HydrophobicContact CD1-CB 4.03Å; I130-A151 HydrophobicContact CG2-CB 4.13Å; I130-V152 HydrophobicContact CG2-CG2 3.86Å; I130-S157 WeakPolarHBondContact CG1-O 3.38Å; I130-T160 WeakPolarHBondContact CD1-OG1 3.42Å
131L92Very high83.2Confident0 Ų063.6 Ų63.60%032%0.324CS..Hα-helixtrans-58.9-40.5175-69.6168000111.2V90 Y94 L113 E116 I117 T125 D127 G128 E133 Y134 I135V90-L131 HydrophobicContact CG1-CD1 3.85Å; Y94-L131 HydrophobicContact CE2-CB 4.3Å; Y94-L131 VanDerWaalsContact OH-CB 3.31Å; Y94-L131 WeakPolarHBondContact OH-CB 3.45Å; Y94-L131 PolarHBondContact OH-O 3.27Å; L113-L131 HydrophobicContact CD2-CB 4.44Å; L113-L131 HydrophobicContact CD2-CD1 4.15Å; E116-L131 HydrophobicContact CB-CD2 4.12Å; I117-L131 HydrophobicContact CG2-CD1 3.85Å; T125-L131 HydrophobicContact CG2-CD2 3.69Å; T125-L131 HydrophobicContact CG2-CG 4Å; D127-L131 WeakPolarHBondContact O-CG 3.48Å; D127-L131 PolarHBondContact O-N 2.85Å; G128-L131 PolarHBondContact O-N 3.35Å; L131-E133 PolarHBondContact O-N 3.27Å; L131-E133 VanDerWaalsContact O-N 3.07Å; L131-Y134 HydrophobicContact CD2-CE1 4.25Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.3Å; L131-Y134 PolarHBondContact O-N 3.47Å; L131-Y134 VanDerWaalsContact O-N 3.15Å; L131-I135 HydrophobicContact CB-CD1 4.36Å; L131-I135 HydrophobicContact CD2-CD1 3.88Å; L131-I135 PolarHBondContact O-N 2.79Å
132Q90.2Very high81.2Confident77 Ų7768.4 Ų68.436%0.3635%0.349SS..THydrogen-bonded Turntrans-61.3-17.3-179.4-79.4172.7-5.700114D93 Y94 G128 I130 Y134D93-Q132 PolarHBondContact O-NE2 2.49Å; D93-Q132 VanDerWaalsContact O-NE2 3.08Å; Y94-Q132 HydrophobicContact CD1-CG 4.39Å; Y94-Q132 HydrophobicContact CD2-CG 4.1Å; Y94-Q132 HydrophobicContact CE1-CG 3.85Å; Y94-Q132 HydrophobicContact CE2-CG 3.54Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.4Å; Y94-Q132 VanDerWaalsContact OH-CA 3.3Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.48Å; Y94-Q132 PolarHBondContact OH-N 3.1Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.46Å; G128-Q132 PolarHBondContact O-N 2.88Å; I130-Q132 VanDerWaalsContact C-N 3.26Å; I130-Q132 PolarHBondContact O-N 2.66Å; Q132-Y134 VanDerWaalsContact C-N 3.32Å
133E86.8Confident79.2Confident91 Ų9172.5 Ų72.543%0.42537%0.372SS..THydrogen-bonded Turntrans-73.4-23.9178.3-63.5-171.9178.900113.2I130 L131 P149 T160I130-E133 WeakPolarHBondContact O-CB 3.32Å; I130-E133 PolarHBondContact O-N 2.98Å; L131-E133 PolarHBondContact O-N 3.27Å; L131-E133 VanDerWaalsContact O-N 3.07Å; E133-P149 HydrophobicContact CB-CG 3.67Å; E133-P149 HydrophobicContact CG-CG 4.41Å; E133-P149 VanDerWaalsContact OE2-CB 3.27Å; E133-P149 WeakPolarHBondContact OE2-CB 3.3Å; E133-P149 WeakPolarHBondContact OE2-CG 3.36Å; E133-T160 VanDerWaalsContact CD-OG1 3.23Å; E133-T160 WeakPolarHBondContact OE1-CB 3.26Å; E133-T160 PolarHBondContact OE1-OG1 2.88Å; E133-T160 WeakPolarHBondContact OE2-CG2 3.22Å; E133-T160 PolarHBondContact OE2-OG1 2.92Å
134Y88.3Confident77.5Confident22 Ų2275.2 Ų75.29%0.08639%0.388CS..THydrogen-bonded Turntrans-133.2-14.1-176.269.8-84.9000114.7E116 L131 Q132 P149 V152E116-Y134 HydrophobicContact CG-CE2 4.14Å; E116-Y134 VanDerWaalsContact OE2-CE2 3.31Å; E116-Y134 WeakPolarHBondContact OE2-CE2 3.44Å; E116-Y134 PolarHBondContact OE2-OH 3.29Å; L131-Y134 HydrophobicContact CD2-CE1 4.25Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.3Å; L131-Y134 PolarHBondContact O-N 3.47Å; L131-Y134 VanDerWaalsContact O-N 3.15Å; Q132-Y134 VanDerWaalsContact C-N 3.32Å; Y134-P149 HydrophobicContact CD1-CG 3.91Å; Y134-V152 HydrophobicContact CE1-CG2 3.93Å
135I89.3Confident76Confident6 Ų678.2 Ų78.23%0.03140%0.401CS..SBendtrans-106.897.6168.1-53.6172.4000107.1Y94 V109 E112 L113 E116 L131Y94-I135 HydrophobicContact CE1-CG2 4.44Å; Y94-I135 WeakPolarHBondContact CE1-O 3.42Å; Y94-I135 PolarHBondContact OH-O 3.48Å; V109-I135 HydrophobicContact CG1-CG2 4.1Å; E112-I135 HydrophobicContact CB-CG2 4.09Å; L113-I135 HydrophobicContact CD2-CD1 3.87Å; L113-I135 HydrophobicContact CD2-CG2 4.29Å; L113-I135 HydrophobicContact CG-CG2 4.3Å; E116-I135 HydrophobicContact CB-CD1 3.73Å; E116-I135 HydrophobicContact CG-CD1 3.64Å; E116-I135 HydrophobicContact CG-CG1 4.43Å; L131-I135 HydrophobicContact CB-CD1 4.36Å; L131-I135 HydrophobicContact CD2-CD1 3.88Å; L131-I135 PolarHBondContact O-N 2.79Å
136T84.1Confident74.8Confident63 Ų6380.6 Ų80.639%0.38742%0.417SS..  trans-109138.6-170.658.60000111.9E138T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact OG1-O 3.17Å
137Q77.7Confident74.1Confident100 Ų10088.8 Ų88.847%0.46744%0.444SS..SBendtrans-72.7-24.5172-69172.7-7.500112.6Y94 V109 G139Y94-Q137 HydrophobicContact CD1-CG 4.35Å; Y94-Q137 PolarHBondContact O-NE2 3.21Å; V109-Q137 HydrophobicContact CG1-CG 4.49Å; V109-Q137 HydrophobicContact CG2-CG 4.3Å; Q137-G139 PolarHBondContact O-N 3.03Å
138E70Confident73.5Confident136 Ų13691.8 Ų91.864%0.63646%0.464SS*.SBendtrans-80.6117.4179.4-62.6-173.4166.800110T136 H140T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact OG1-O 3.17Å; E138-H140 PolarHBondContact O-N 3.46Å; E138-H140 IonicContact OE2-CD2 2.93Å; E138-H140 IonicContact OE2-NE2 3.27Å
139G55.4Low73.1Confident82 Ų8292.6 Ų92.685%0.84547%0.469SS*.  trans-69.838.3176.800000114.1Q137 K141Q137-G139 PolarHBondContact O-N 3.03Å; G139-K141 PolarHBondContact O-N 3.33Å; G139-K141 VanDerWaalsContact O-N 3.08Å
140H47.4Very low72.9Confident134 Ų13495.5 Ų95.562%0.6249%0.486SS*.  trans-55.2121171.2-92.7-80.3000107.7E138 L142E138-H140 PolarHBondContact O-N 3.46Å; E138-H140 IonicContact OE2-CD2 2.93Å; E138-H140 IonicContact OE2-NE2 3.27Å; H140-L142 PolarHBondContact O-N 2.88Å
141K42.7Very low72.5Confident204 Ų20495.5 Ų95.589%0.88749%0.486SS*.  trans-57.283.6164.2-75179.1175.6178.60107.4G139 E143G139-K141 PolarHBondContact O-N 3.33Å; G139-K141 VanDerWaalsContact O-N 3.08Å; K141-E143 PolarHBondContact O-N 3.02Å; K141-E143 VanDerWaalsContact O-N 3.09Å
142L49Very low72Confident100 Ų10097.5 Ų97.552%0.52450%0.498SS..  trans-70.2106.5174.2-71.9167.5000105.6H140 V144 P146H140-L142 PolarHBondContact O-N 2.88Å; L142-V144 WeakPolarHBondContact CB-O 3.41Å; L142-V144 PolarHBondContact O-N 2.62Å; L142-V144 VanDerWaalsContact O-N 3.08Å; L142-P146 HydrophobicContact CD1-CB 4.3Å; L142-P146 HydrophobicContact CD1-CG 4.32Å
143E51.1Low71.7Confident201 Ų20199.5 Ų99.594%0.93952%0.516SS*.SBendtrans-59.5-13.3170.9-69.6-173.615800112K141K141-E143 PolarHBondContact O-N 3.02Å; K141-E143 VanDerWaalsContact O-N 3.09Å
144V59.2Low71.7Confident102 Ų10297.8 Ų97.862%0.61851%0.51SS*.SBendtrans-120.8124.1179.5-176.50000108.2L142L142-V144 WeakPolarHBondContact CB-O 3.41Å; L142-V144 PolarHBondContact O-N 2.62Å; L142-V144 VanDerWaalsContact O-N 3.08Å
145Q63Low71.7Confident168 Ų168101.5 Ų101.579%0.78555%0.545SS*.PPolyproline II helixtrans-50.9127172.5-77-177.4-17.700109.9R147Q145-R147 PolarHBondContact O-N 2.72Å; Q145-R147 VanDerWaalsContact O-N 3.08Å
146P68Low71.8Confident73 Ų73102.7 Ų102.747%0.47455%0.553SS.*PPolyproline II helixtrans-57.8119176.421.7-29.4000108.3L142L142-P146 HydrophobicContact CD1-CB 4.3Å; L142-P146 HydrophobicContact CD1-CG 4.32Å
147R78.3Confident72.2Confident212 Ų212101.6 Ų101.680%0.855%0.547SS*.PPolyproline II helixtrans-90.4135.1176.5-69.3-175.9-177.5179.60.9108.1Q145Q145-R147 PolarHBondContact O-N 2.72Å; Q145-R147 VanDerWaalsContact O-N 3.08Å
148P81.1Confident72.9Confident84 Ų8498.1 Ų98.155%0.54553%0.53SS..PPolyproline II helixtrans-53.6133.4174.4-25.833.6000110.9
149P82.7Confident74.1Confident18 Ų1891.9 Ų91.912%0.11750%0.501CS..PPolyproline II helixtrans-58.9147174.2-2230.8000111.1E133 Y134 A151 V152E133-P149 HydrophobicContact CB-CG 3.67Å; E133-P149 HydrophobicContact CG-CG 4.41Å; E133-P149 VanDerWaalsContact OE2-CB 3.27Å; E133-P149 WeakPolarHBondContact OE2-CB 3.3Å; E133-P149 WeakPolarHBondContact OE2-CG 3.36Å; Y134-P149 HydrophobicContact CD1-CG 3.91Å; P149-A151 HydrophobicContact CB-CB 4.4Å; P149-A151 PolarHBondContact O-N 3.5Å; P149-V152 WeakPolarHBondContact O-CB 3.35Å; P149-V152 WeakPolarHBondContact O-CG2 3.35Å; P149-V152 PolarHBondContact O-N 3.35Å
150M84.1Confident75.8Confident129 Ų12989.2 Ų89.264%0.63547%0.468SS*.G310 helixtrans-57.7-26.5175.4-70.6-176.366.200112.6V152 T153 N154M150-V152 PolarHBondContact O-N 3.17Å; M150-T153 PolarHBondContact O-N 2.96Å; M150-T153 PolarHBondContact O-OG1 3.45Å; M150-N154 WeakPolarHBondContact O-CB 3.47Å; M150-N154 PolarHBondContact O-N 3.07Å
151A81.9Confident77.7Confident3 Ų388.1 Ų88.13%0.02546%0.463CS..G310 helixtrans-53.8-3517500000112.4I130 P149 T153 N154 S157I130-A151 HydrophobicContact CD1-CB 4.03Å; I130-A151 HydrophobicContact CG2-CB 4.13Å; P149-A151 HydrophobicContact CB-CB 4.4Å; P149-A151 PolarHBondContact O-N 3.5Å; A151-T153 PolarHBondContact O-N 3.17Å; A151-N154 PolarHBondContact O-N 3.2Å; A151-S157 VanDerWaalsContact O-CA 3.29Å; A151-S157 WeakPolarHBondContact O-CA 3.18Å
152V81Confident79.8Confident42 Ų4283.3 Ų83.326%0.25546%0.455SS..G310 helixtrans-59.6-34.4178176.80000111.9T125 I130 Y134 P149 M150T125-V152 HydrophobicContact CG2-CG2 4.41Å; T125-V152 WeakPolarHBondContact OG1-CG1 3.41Å; I130-V152 HydrophobicContact CG2-CG2 3.86Å; Y134-V152 HydrophobicContact CE1-CG2 3.93Å; P149-V152 WeakPolarHBondContact O-CB 3.35Å; P149-V152 WeakPolarHBondContact O-CG2 3.35Å; P149-V152 PolarHBondContact O-N 3.35Å; M150-V152 PolarHBondContact O-N 3.17Å
153T84.6Confident81.8Confident120 Ų12080.1 Ų80.174%0.73644%0.438SS*.THydrogen-bonded Turntrans-102.5-10.8-178.256.10000114.3M150 A151M150-T153 PolarHBondContact O-N 2.96Å; M150-T153 PolarHBondContact O-OG1 3.45Å; A151-T153 PolarHBondContact O-N 3.17Å
154N86.6Confident83.9Confident55 Ų5579.1 Ų79.129%0.29443%0.431SS..SBendtrans-82155.4-175.7-82.6-14.3000111.7M150 A151 V156M150-N154 WeakPolarHBondContact O-CB 3.47Å; M150-N154 PolarHBondContact O-N 3.07Å; A151-N154 PolarHBondContact O-N 3.2Å; N154-V156 PolarHBondContact O-N 2.83Å
155A88.1Confident85.6Confident100 Ų10077.9 Ų77.983%0.82642%0.415SS*.SBendtrans-62.5-22.2171.500000113.1
156V92Very high87.1Confident31 Ų3182.3 Ų82.319%0.18843%0.425CS..  trans-101.994.5169.3-179.80000107.1N154 W158 R159 M206 I255N154-V156 PolarHBondContact O-N 2.83Å; V156-W158 HydrophobicContact CB-CZ2 4.43Å; V156-W158 HydrophobicContact CG1-CD2 4.34Å; V156-W158 HydrophobicContact CG1-CZ2 3.96Å; V156-W158 HydrophobicContact CG2-CZ2 4.37Å; V156-R159 HydrophobicContact CG1-CB 4.22Å; V156-M206 HydrophobicContact CB-CE 4.35Å; V156-M206 HydrophobicContact CG1-CE 3.78Å; V156-I255 HydrophobicContact CG1-CG2 4.32Å; V156-I255 HydrophobicContact CG2-CD1 4.05Å
157S92.5Very high88.4Confident39 Ų3984.5 Ų84.527%0.27343%0.427SS..  trans-100.59.4-170.957.70000114.9I130 A151I130-S157 WeakPolarHBondContact CG1-O 3.38Å; A151-S157 VanDerWaalsContact O-CA 3.29Å; A151-S157 WeakPolarHBondContact O-CA 3.18Å
158W93.3Very high89.3Confident28 Ų2875.4 Ų75.411%0.10639%0.394CS..SBendtrans-124.83.4-174.456.276.2000113.2D127 V156 Q239 C240 I255 P257D127-W158 WeakPolarHBondContact OD2-CA 3.41Å; D127-W158 VanDerWaalsContact OD2-CB 3.23Å; D127-W158 WeakPolarHBondContact OD2-CB 3.34Å; V156-W158 HydrophobicContact CB-CZ2 4.43Å; V156-W158 HydrophobicContact CG1-CD2 4.34Å; V156-W158 HydrophobicContact CG1-CZ2 3.96Å; V156-W158 HydrophobicContact CG2-CZ2 4.37Å; W158-Q239 HydrophobicContact CD2-CG 4.26Å; W158-Q239 HydrophobicContact CE3-CG 3.67Å; W158-Q239 HydrophobicContact CZ3-CB 4.41Å; W158-Q239 HydrophobicContact CZ3-CG 4.05Å; W158-C240 HydrophobicContact CD2-CB 4.11Å; W158-C240 VanDerWaalsContact CE2-CB 3.45Å; W158-C240 HydrophobicContact CG-CB 4.49Å; W158-C240 HydrophobicContact CH2-CB 4.45Å; W158-C240 HydrophobicContact CZ2-CB 3.68Å; W158-I255 PolarHBondContact NE1-O 2.98Å; W158-P257 HydrophobicContact CB-CG 4.11Å; W158-P257 HydrophobicContact CG-CG 4.06Å; W158-P257 WeakPolarHBondContact O-CA 3.41Å
159R94.3Very high90Very high5 Ų572.8 Ų72.82%0.01938%0.375CS..  trans-147.8122.8179.6-170.3-173.6-172.669.511.3110.5V156 I163 L203 G205 M206 P256 D258V156-R159 HydrophobicContact CG1-CB 4.22Å; R159-I163 HydrophobicContact CG-CD1 4.05Å; R159-L203 PolarHBondContact NH2-O 3.28Å; R159-G205 PolarHBondContact NE-O 3.47Å; R159-G205 PolarHBondContact NH2-O 3.25Å; R159-M206 HydrophobicContact CB-CE 4.28Å; R159-M206 HydrophobicContact CB-SD 4.33Å; R159-M206 VanDerWaalsContact CD-SD 3.56Å; R159-M206 HydrophobicContact CG-CE 4.36Å; R159-M206 HydrophobicContact CG-SD 3.78Å; R159-P256 WeakPolarHBondContact CD-O 2.98Å; R159-P256 PolarHBondContact NH1-O 3.2Å; R159-D258 IonicContact CZ-OD1 3.83Å; R159-D258 IonicContact NH1-OD1 3.77Å; R159-D258 PolarHBondContact NH1-OD1 2.9Å; R159-D258 IonicContact NH2-OD1 3.9Å
160T90.4Very high90.8Very high26 Ų2672 Ų7216%0.1637%0.369CS..  trans-80.7145.8176.3-51.90000111I130 E133 I163I130-T160 WeakPolarHBondContact CD1-OG1 3.42Å; E133-T160 VanDerWaalsContact CD-OG1 3.23Å; E133-T160 WeakPolarHBondContact OE1-CB 3.26Å; E133-T160 PolarHBondContact OE1-OG1 2.88Å; E133-T160 WeakPolarHBondContact OE2-CG2 3.22Å; E133-T160 PolarHBondContact OE2-OG1 2.92Å; T160-I163 WeakPolarHBondContact O-CD1 3.49Å; T160-I163 WeakPolarHBondContact O-CG1 3.37Å
161E87.6Confident91.4Very high110 Ų11068.6 Ų68.651%0.51435%0.351SS..THydrogen-bonded Turntrans-67.3164.2171.7-59.7-171.8177.400110.2I163 M206E161-I163 VanDerWaalsContact C-N 3.34Å; E161-I163 PolarHBondContact O-N 3.3Å; E161-M206 HydrophobicContact CG-CG 4.15Å; E161-M206 HydrophobicContact CG-SD 4.22Å
162S86.3Confident92.2Very high103 Ų10368.6 Ų68.672%0.7235%0.351SS*.THydrogen-bonded Turntrans72.33.5175.181.70000118.7K164S162-K164 PolarHBondContact O-N 2.78Å
163I92.4Very high93Very high34 Ų3467.5 Ų67.517%0.17434%0.343CS..  trans-54.8132.8171.3-61.5174.3000110.2R159 T160 E161 Y165 S204 G205 D258R159-I163 HydrophobicContact CG-CD1 4.05Å; T160-I163 WeakPolarHBondContact O-CD1 3.49Å; T160-I163 WeakPolarHBondContact O-CG1 3.37Å; E161-I163 VanDerWaalsContact C-N 3.34Å; E161-I163 PolarHBondContact O-N 3.3Å; I163-Y165 HydrophobicContact CG2-CD2 3.87Å; I163-Y165 HydrophobicContact CG2-CE2 3.45Å; I163-Y165 VanDerWaalsContact CG2-CE2 3.45Å; I163-S204 CarbonylContact O-C 3.51Å; I163-S204 VanDerWaalsContact O-CA 3.24Å; I163-S204 WeakPolarHBondContact O-CA 3.28Å; I163-G205 PolarHBondContact O-N 3.43Å; I163-D258 HydrophobicContact CD1-CB 3.69Å
164K94.9Very high93.6Very high180 Ų18061.8 Ų61.878%0.78331%0.308SS*.  trans-136.6129.1179.1-73.6-179.4-174.7175.10110.9S162S162-K164 PolarHBondContact O-N 2.78Å
165Y95.4Very high94.1Very high75 Ų7560.3 Ų60.329%0.29430%0.3SS..  trans-116.3141.2172.2-74.5-82.7000110.3I163 K167 F202 L203 S204 D258I163-Y165 HydrophobicContact CG2-CD2 3.87Å; I163-Y165 HydrophobicContact CG2-CE2 3.45Å; I163-Y165 VanDerWaalsContact CG2-CE2 3.45Å; Y165-K167 WeakPolarHBondContact CB-O 3.4Å; Y165-K167 PolarHBondContact O-N 2.85Å; Y165-F202 HydrophobicContact CD1-CB 3.98Å; Y165-F202 HydrophobicContact CD1-CD1 4.35Å; Y165-F202 VanDerWaalsContact CD2-C 3.45Å; Y165-F202 HydrophobicContact CD2-CB 4.28Å; Y165-F202 HydrophobicContact CE1-CB 3.99Å; Y165-F202 AromaticContact CE1-CD1 3.61Å; Y165-F202 HydrophobicContact CE1-CD1 3.61Å; Y165-F202 HydrophobicContact CE1-CG 4.27Å; Y165-F202 HydrophobicContact CE2-CB 4.28Å; Y165-F202 HydrophobicContact CG-CB 4.12Å; Y165-F202 AromaticContact CZ-CD1 3.75Å; Y165-L203 WeakPolarHBondContact CD2-O 3.37Å; Y165-S204 PolarHBondContact N-OG 3.09Å; Y165-S204 PolarHBondContact O-OG 2.77Å; Y165-D258 WeakPolarHBondContact CE2-OD1 3.49Å; Y165-D258 PolarHBondContact OH-OD2 3.42Å
166R94.1Very high94.5Very high262 Ų26255.5 Ų55.599%0.98926%0.261SS*.SBendtrans-63-32.5172.4-175.5177.5178.4-177.80.6111.7
167K94.8Very high94.7Very high118 Ų11855.2 Ų55.251%0.51326%0.26SS..SBendtrans-132.3123179.5-167.2-174.5177.1-154.60108.7Y165 E169Y165-K167 WeakPolarHBondContact CB-O 3.4Å; Y165-K167 PolarHBondContact O-N 2.85Å; K167-E169 HydrophobicContact CD-CG 4.05Å; K167-E169 WeakPolarHBondContact CD-OE2 3.43Å; K167-E169 WeakPolarHBondContact CE-OE1 3.39Å; K167-E169 WeakPolarHBondContact CE-OE2 3.5Å; K167-E169 HydrophobicContact CG-CG 3.94Å; K167-E169 IonicContact NZ-OE1 2.7Å; K167-E169 PolarHBondContact NZ-OE1 2.96Å; K167-E169 IonicContact NZ-OE2 2.89Å; K167-E169 PolarHBondContact NZ-OE2 2.9Å
168N96.8Very high94.8Very high22 Ų2253.5 Ų53.512%0.11825%0.248CC..  trans-90.6111-178.1-63.3-68.9000110F202 L203 S204 Y402 A404 L405N168-F202 CarbonylContact C-O 3.49Å; N168-F202 VanDerWaalsContact CA-O 3.25Å; N168-F202 WeakPolarHBondContact CA-O 3.48Å; N168-L203 HydrophobicContact CB-CD2 3.79Å; N168-S204 WeakPolarHBondContact OD1-CB 3.37Å; N168-S204 PolarHBondContact OD1-N 2.85Å; N168-S204 PolarHBondContact OD1-OG 3.19Å; N168-Y402 HydrophobicContact CB-CD2 3.76Å; N168-Y402 HydrophobicContact CB-CE2 3.74Å; N168-Y402 WeakPolarHBondContact ND2-CD2 3.31Å; N168-A404 HydrophobicContact CB-CB 3.86Å; N168-A404 VanDerWaalsContact O-CA 3.3Å; N168-A404 WeakPolarHBondContact O-CA 3.25Å; N168-L405 PolarHBondContact O-N 2.83Å; N168-L405 VanDerWaalsContact O-N 3.1Å
169E97Very high94.9Very high29 Ų2953 Ų5314%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-136.2147.8-177.4-58.2-163.9107.300111.4K167 F171 F202 L405 W407K167-E169 HydrophobicContact CD-CG 4.05Å; K167-E169 WeakPolarHBondContact CD-OE2 3.43Å; K167-E169 WeakPolarHBondContact CE-OE1 3.39Å; K167-E169 WeakPolarHBondContact CE-OE2 3.5Å; K167-E169 HydrophobicContact CG-CG 3.94Å; K167-E169 IonicContact NZ-OE1 2.7Å; K167-E169 PolarHBondContact NZ-OE1 2.96Å; K167-E169 IonicContact NZ-OE2 2.89Å; K167-E169 PolarHBondContact NZ-OE2 2.9Å; E169-F171 HydrophobicContact CB-CE2 3.83Å; E169-F171 HydrophobicContact CB-CZ 4.07Å; E169-F202 PolarHBondContact N-O 3.16Å; E169-F202 CarbonylContact O-C 3.38Å; E169-F202 PolarHBondContact O-N 2.9Å; E169-L405 HydrophobicContact CG-CB 4.46Å; E169-W407 PolarHBondContact OE1-NE1 2.87Å
170V97.9Very high94.9Very high0 Ų053 Ų530%025%0.248CC..EExtended strand (participates in β ladder)trans-130.4126.9174-177.60000108.3L172 M199 R200 V201 L203 L394 I396 L405 P406 W407V170-L172 HydrophobicContact CG1-CD1 3.84Å; V170-M199 HydrophobicContact CG1-CE 3.36Å; V170-R200 WeakPolarHBondContact CA-O 3.45Å; V170-V201 HydrophobicContact CG1-CG2 4.1Å; V170-L203 HydrophobicContact CG2-CD1 3.62Å; V170-L203 HydrophobicContact CG2-CD2 3.79Å; V170-L203 HydrophobicContact CG2-CG 3.74Å; V170-L394 HydrophobicContact CB-CD2 4.07Å; V170-L394 HydrophobicContact CG1-CD2 3.64Å; V170-L394 HydrophobicContact CG2-CD2 4.41Å; V170-I396 HydrophobicContact CG2-CD1 3.97Å; V170-L405 PolarHBondContact N-O 3.24Å; V170-P406 CarbonylContact O-C 3.55Å; V170-P406 WeakPolarHBondContact O-CA 3.46Å; V170-W407 PolarHBondContact O-N 2.77Å
171F97.9Very high95.1Very high59 Ų5953.4 Ų53.426%0.25925%0.249SC..EExtended strand (participates in β ladder)trans-110.1133.3174-53.3-92.3000109.4E169 M199 R200 F202 W407E169-F171 HydrophobicContact CB-CE2 3.83Å; E169-F171 HydrophobicContact CB-CZ 4.07Å; F171-M199 CarbonylContact O-C 3.53Å; F171-M199 VanDerWaalsContact O-CA 3.26Å; F171-M199 WeakPolarHBondContact O-CA 3.23Å; F171-R200 HydrophobicContact CB-CB 4.19Å; F171-R200 HydrophobicContact CD2-CB 4.26Å; F171-R200 PolarHBondContact N-O 3.41Å; F171-R200 PolarHBondContact O-N 3.34Å; F171-F202 HydrophobicContact CD2-CD2 4.06Å; F171-F202 AromaticContact CD2-CE2 3.97Å; F171-F202 HydrophobicContact CD2-CE2 3.97Å; F171-F202 AromaticContact CE2-CD2 3.83Å; F171-F202 HydrophobicContact CE2-CD2 3.83Å; F171-F202 AromaticContact CE2-CE2 3.91Å; F171-F202 HydrophobicContact CE2-CE2 3.91Å; F171-W407 CarbonylContact C-O 3.55Å; F171-W407 HydrophobicContact CD1-CB 3.64Å; F171-W407 AromaticContact CD1-CD1 3.75Å; F171-W407 AromaticContact CD1-CG 3.86Å; F171-W407 HydrophobicContact CD1-CG 3.86Å; F171-W407 HydrophobicContact CE1-CB 4.13Å; F171-W407 AromaticContact CE1-CD1 3.42Å; F171-W407 VanDerWaalsContact CE1-CD1 3.42Å; F171-W407 AromaticContact CE1-CG 3.81Å; F171-W407 HydrophobicContact CE1-CG 3.81Å; F171-W407 HydrophobicContact CG-CB 4.43Å; F171-W407 AromaticContact CZ-CD1 3.99Å
172L97.7Very high95.4Very high2 Ų248.2 Ų48.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-118.9120.8176.9-6389000109.2V170 K198 M199 L211 V391 L394 W407 V408 R409V170-L172 HydrophobicContact CG1-CD1 3.84Å; L172-K198 WeakPolarHBondContact CA-O 3.26Å; L172-M199 HydrophobicContact CD1-CE 4.46Å; L172-M199 HydrophobicContact CD2-CE 4.23Å; L172-M199 HydrophobicContact CG-CE 4.08Å; L172-M199 HydrophobicContact CG-CG 4.33Å; L172-L211 HydrophobicContact CD2-CD1 3.93Å; L172-V391 HydrophobicContact CD2-CG1 4.5Å; L172-L394 HydrophobicContact CD1-CD2 3.86Å; L172-W407 VanDerWaalsContact CD1-O 3.22Å; L172-W407 WeakPolarHBondContact CD1-O 2.98Å; L172-W407 PolarHBondContact N-O 3.26Å; L172-V408 HydrophobicContact CB-CB 4.29Å; L172-V408 HydrophobicContact CB-CG2 4.14Å; L172-V408 CarbonylContact O-C 3.45Å; L172-V408 VanDerWaalsContact O-CA 3.3Å; L172-V408 WeakPolarHBondContact O-CA 3.44Å; L172-R409 PolarHBondContact O-N 3.23Å
173D97.6Very high95.6Very high19 Ų1945.3 Ų45.310%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-105.7106.8173-70-9.8000108I175 V197 K198 R409D173-I175 HydrophobicContact CB-CD1 4.2Å; D173-I175 HydrophobicContact CB-CG1 4.13Å; D173-V197 WeakPolarHBondContact O-CA 3.14Å; D173-K198 HydrophobicContact CB-CB 4.29Å; D173-K198 PolarHBondContact N-O 2.69Å; D173-K198 PolarHBondContact O-N 3.36Å; D173-R409 WeakPolarHBondContact OD1-CD 3.46Å; D173-R409 WeakPolarHBondContact OD1-CG 3.4Å; D173-R409 IonicContact OD1-CZ 2.63Å; D173-R409 IonicContact OD1-NE 3.66Å; D173-R409 PolarHBondContact OD1-NE 2.82Å; D173-R409 IonicContact OD1-NH2 3.6Å; D173-R409 IonicContact OD2-CZ 3.24Å; D173-R409 IonicContact OD2-NE 3.6Å; D173-R409 PolarHBondContact OD2-NE 2.95Å; D173-R409 IonicContact OD2-NH2 3.4Å; D173-R409 PolarHBondContact OD2-NH2 2.99Å
174V97.3Very high95.4Very high0 Ų046.4 Ų46.40%022%0.215CC..EExtended strand (participates in β ladder)trans-91.8102.1173.3-177.40000107.5V197 I389 V391 V408 R409 Y410 I411V174-V197 HydrophobicContact CG2-CG2 4.44Å; V174-I389 HydrophobicContact CG1-CD1 4.31Å; V174-I389 HydrophobicContact CG1-CG2 3.6Å; V174-V391 HydrophobicContact CG2-CG2 3.88Å; V174-V408 HydrophobicContact CG2-CG2 4.08Å; V174-R409 PolarHBondContact N-O 3.43Å; V174-Y410 HydrophobicContact CB-CD1 3.63Å; V174-Y410 HydrophobicContact CB-CE1 3.99Å; V174-Y410 HydrophobicContact CG1-CD1 3.89Å; V174-Y410 HydrophobicContact CG1-CE1 4.21Å; V174-Y410 HydrophobicContact CG2-CD1 4.08Å; V174-Y410 HydrophobicContact CG2-CE1 3.93Å; V174-Y410 CarbonylContact O-C 3.58Å; V174-Y410 WeakPolarHBondContact O-CA 3.3Å; V174-I411 PolarHBondContact O-N 2.98Å
175I97.6Very high95Very high24 Ų2442.3 Ų42.312%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-108.7122.8-173.3-54.6173.1000108.6D173 G195 S196 K198 I411 Q413D173-I175 HydrophobicContact CB-CD1 4.2Å; D173-I175 HydrophobicContact CB-CG1 4.13Å; I175-G195 CarbonylContact O-C 3.53Å; I175-G195 VanDerWaalsContact O-CA 3.25Å; I175-G195 WeakPolarHBondContact O-CA 3.45Å; I175-S196 PolarHBondContact N-O 3.15Å; I175-S196 PolarHBondContact O-N 2.89Å; I175-K198 HydrophobicContact CD1-CD 4.09Å; I175-K198 HydrophobicContact CD1-CG 4.47Å; I175-I411 CarbonylContact C-O 3.55Å; I175-I411 VanDerWaalsContact CA-O 3.32Å; I175-I411 WeakPolarHBondContact CA-O 3.5Å; I175-I411 HydrophobicContact CG1-CB 4.47Å; I175-Q413 HydrophobicContact CG2-CG 4.13Å
176E96.1Very high94.5Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-111.3114.9175.4-63.8-158.3139.300110.6I193 Y266 V386 S387 I411 T412 Q413E176-I193 HydrophobicContact CB-CG2 3.86Å; E176-I193 HydrophobicContact CG-CG2 4.11Å; E176-Y266 VanDerWaalsContact CG-OH 3.26Å; E176-Y266 WeakPolarHBondContact CG-OH 3.4Å; E176-Y266 PolarHBondContact OE1-OH 3.48Å; E176-V386 PolarHBondContact OE2-N 3.23Å; E176-S387 WeakPolarHBondContact OE1-CB 3.43Å; E176-S387 PolarHBondContact OE1-OG 2.96Å; E176-S387 PolarHBondContact OE2-N 3Å; E176-S387 PolarHBondContact OE2-OG 3.47Å; E176-I411 PolarHBondContact N-O 2.85Å; E176-T412 CarbonylContact O-C 3.56Å; E176-T412 WeakPolarHBondContact O-CA 3.25Å; E176-Q413 PolarHBondContact O-N 3.18Å
177S96.4Very high94.3Very high25 Ų2531.5 Ų31.518%0.17519%0.187CC..EExtended strand (participates in β ladder)trans-91.5120.1170.4-61.60000109.4V194 Q413S177-V194 WeakPolarHBondContact CB-O 3.49Å; S177-V194 PolarHBondContact N-O 3.08Å; S177-V194 PolarHBondContact O-N 2.94Å; S177-Q413 WeakPolarHBondContact CA-O 3.39Å; S177-Q413 PolarHBondContact OG-NE2 2.79Å; S177-Q413 VanDerWaalsContact OG-NE2 3.1Å
178V95.4Very high94.1Very high3 Ų328.3 Ų28.32%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-91.6115.2177.5-176.10000109.3L275 F379 V386 T412 Q413 G415 Y417V178-L275 HydrophobicContact CG2-CD1 4.02Å; V178-F379 HydrophobicContact CB-CZ 4.43Å; V178-V386 HydrophobicContact CG2-CG2 3.79Å; V178-T412 HydrophobicContact CG2-CG2 3.85Å; V178-Q413 PolarHBondContact N-O 3.4Å; V178-G415 PolarHBondContact O-N 2.93Å; V178-Y417 HydrophobicContact CB-CD2 4.49Å; V178-Y417 HydrophobicContact CG1-CD2 4.27Å; V178-Y417 HydrophobicContact CG1-CE2 4.12Å
179N95Very high93.9Very high17 Ų1731.6 Ų31.69%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-94.5128.1168.8-58.4-21.5000108.2S191 E192 G415 E416N179-S191 WeakPolarHBondContact O-CA 3.42Å; N179-E192 HydrophobicContact CB-CG 3.51Å; N179-E192 PolarHBondContact N-O 2.73Å; N179-E192 PolarHBondContact ND2-OE1 2.89Å; N179-E192 PolarHBondContact O-N 2.72Å; N179-G415 WeakPolarHBondContact OD1-CA 3.48Å; N179-E416 CarbonylContact C-O 3.57Å; N179-E416 VanDerWaalsContact CA-O 3.23Å; N179-E416 WeakPolarHBondContact CA-O 3.47Å; N179-E416 HydrophobicContact CB-CB 4.3Å; N179-E416 PolarHBondContact OD1-N 3.29Å
180L94.4Very high93.6Very high4 Ų436 Ų362%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-139.4129.2-178.9-173.282.5000108.7V188 R190 P274 E416 Y417 E418L180-V188 HydrophobicContact CD1-CG1 3.57Å; L180-V188 HydrophobicContact CD1-CG2 4.17Å; L180-R190 CarbonylContact C-O 3.58Å; L180-R190 WeakPolarHBondContact CA-O 3.36Å; L180-P274 HydrophobicContact CD1-CG 4.19Å; L180-P274 HydrophobicContact CD2-CB 3.69Å; L180-P274 HydrophobicContact CD2-CG 3.78Å; L180-E416 PolarHBondContact N-O 3.37Å; L180-Y417 HydrophobicContact CB-CD2 3.66Å; L180-Y417 HydrophobicContact CB-CE2 3.68Å; L180-Y417 HydrophobicContact CB-CG 4.15Å; L180-Y417 HydrophobicContact CD2-CD1 4.41Å; L180-Y417 HydrophobicContact CD2-CD2 4.42Å; L180-Y417 HydrophobicContact CD2-CE1 3.77Å; L180-Y417 HydrophobicContact CD2-CE2 3.76Å; L180-Y417 VanDerWaalsContact CD2-CZ 3.4Å; L180-Y417 WeakPolarHBondContact CD2-OH 3.38Å; L180-Y417 HydrophobicContact CG-CE2 4.32Å; L180-E418 PolarHBondContact O-N 3.26Å
181L94.4Very high93.4Very high36 Ų3636.1 Ų36.119%0.18821%0.21CC..EExtended strand (participates in β ladder)trans-120.8118.7166.9-179.264.1000109L189 R190 E418 R420L181-L189 HydrophobicContact CD2-CB 4.3Å; L181-L189 HydrophobicContact CD2-CD1 4.13Å; L181-L189 HydrophobicContact CG-CB 4.3Å; L181-L189 HydrophobicContact CG-CD1 4.26Å; L181-L189 PolarHBondContact O-N 2.8Å; L181-R190 HydrophobicContact CB-CB 4.04Å; L181-R190 PolarHBondContact N-O 3.22Å; L181-R190 PolarHBondContact O-N 2.78Å; L181-E418 WeakPolarHBondContact CA-O 3.15Å; L181-E418 HydrophobicContact CD1-CB 4.12Å; L181-R420 HydrophobicContact CD1-CG 4.17Å
182A93.5Very high93.1Very high0 Ų034.1 Ų34.10%020%0.202CC..EExtended strand (participates in β ladder)trans-110.7143.6170.900000111T187 W277 E418 L419 R420A182-T187 WeakPolarHBondContact CA-O 3.49Å; A182-W277 HydrophobicContact CB-CH2 3.85Å; A182-W277 HydrophobicContact CB-CZ3 3.82Å; A182-E418 PolarHBondContact N-O 3.21Å; A182-L419 HydrophobicContact CB-CD2 4.39Å; A182-L419 HydrophobicContact CB-CG 4.44Å; A182-R420 WeakPolarHBondContact O-CB 3.32Å; A182-R420 WeakPolarHBondContact O-CG 3.34Å; A182-R420 PolarHBondContact O-N 2.78Å
183N91.8Very high92.9Very high42 Ų4234 Ų3423%0.22520%0.201CC..  trans-80172.7171.873.9-0.6000111.3S185 G186 T187 L189N183-S185 VanDerWaalsContact CG-OG 3.23Å; N183-S185 PolarHBondContact ND2-OG 3.37Å; N183-S185 PolarHBondContact O-N 3.01Å; N183-S185 PolarHBondContact OD1-N 2.75Å; N183-S185 VanDerWaalsContact OD1-N 3.16Å; N183-S185 PolarHBondContact OD1-OG 2.76Å; N183-G186 PolarHBondContact O-N 2.89Å; N183-G186 PolarHBondContact OD1-N 3Å; N183-G186 VanDerWaalsContact OD1-N 3.12Å; N183-T187 PolarHBondContact N-O 3.14Å; N183-T187 WeakPolarHBondContact OD1-CA 3.16Å; N183-T187 WeakPolarHBondContact OD1-CB 3.39Å; N183-T187 PolarHBondContact OD1-N 2.84Å; N183-T187 PolarHBondContact OD1-O 2.85Å; N183-L189 HydrophobicContact CB-CD1 3.89Å; N183-L189 HydrophobicContact CB-CD2 4.16Å; N183-L189 HydrophobicContact CB-CG 4Å
184A87.2Confident92.8Very high57 Ų5735.4 Ų35.447%0.47121%0.21SC..THydrogen-bonded Turntrans-62-22.6178.900000114.3G186 R420 A422A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 2.86Å; A184-R420 WeakPolarHBondContact CA-O 3.34Å; A184-A422 HydrophobicContact CB-CB 4.08Å
185S87.1Confident92.7Very high94 Ų9435.4 Ų35.466%0.65721%0.211SC*.THydrogen-bonded Turntrans-83.1-0.2175.468.50000113.5N183 T187N183-S185 VanDerWaalsContact CG-OG 3.23Å; N183-S185 PolarHBondContact ND2-OG 3.37Å; N183-S185 PolarHBondContact O-N 3.01Å; N183-S185 PolarHBondContact OD1-N 2.75Å; N183-S185 VanDerWaalsContact OD1-N 3.16Å; N183-S185 PolarHBondContact OD1-OG 2.76Å; S185-T187 PolarHBondContact OG-OG1 2.93Å
186G83.7Confident92.7Very high32 Ų3235.1 Ų35.133%0.3321%0.211SC..SBendtrans83.28.9-178.500000114.9N183 A184 W277N183-G186 PolarHBondContact O-N 2.89Å; N183-G186 PolarHBondContact OD1-N 3Å; N183-G186 VanDerWaalsContact OD1-N 3.12Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 2.86Å; G186-W277 WeakPolarHBondContact O-CH2 3.35Å
187T90Very high92.8Very high79 Ų7935.1 Ų35.149%0.48521%0.211SC..  trans-80.7127.8173.5-49.60000110.1A182 N183 S185 L189A182-T187 WeakPolarHBondContact CA-O 3.49Å; N183-T187 PolarHBondContact N-O 3.14Å; N183-T187 WeakPolarHBondContact OD1-CA 3.16Å; N183-T187 WeakPolarHBondContact OD1-CB 3.39Å; N183-T187 PolarHBondContact OD1-N 2.84Å; N183-T187 PolarHBondContact OD1-O 2.85Å; S185-T187 PolarHBondContact OG-OG1 2.93Å; T187-L189 PolarHBondContact O-N 2.85Å
188V91.2Very high92.8Very high51 Ų5137.6 Ų37.631%0.30922%0.218SC..EExtended strand (participates in β ladder)trans-72.9115.6174.5179.60000109.1L180 P274L180-V188 HydrophobicContact CD1-CG1 3.57Å; L180-V188 HydrophobicContact CD1-CG2 4.17Å; V188-P274 HydrophobicContact CG2-CG 3.98Å
189L92.1Very high93Very high90 Ų9037.5 Ų37.547%0.47122%0.218SC..EExtended strand (participates in β ladder)trans-86.8-39.9179-60.5-178.1000112.3L181 N183 T187L181-L189 HydrophobicContact CD2-CB 4.3Å; L181-L189 HydrophobicContact CD2-CD1 4.13Å; L181-L189 HydrophobicContact CG-CB 4.3Å; L181-L189 HydrophobicContact CG-CD1 4.26Å; L181-L189 PolarHBondContact O-N 2.8Å; N183-L189 HydrophobicContact CB-CD1 3.89Å; N183-L189 HydrophobicContact CB-CD2 4.16Å; N183-L189 HydrophobicContact CB-CG 4Å; T187-L189 PolarHBondContact O-N 2.85Å
190R92Very high93.1Very high121 Ų12141.7 Ų41.746%0.45723%0.232SC..EExtended strand (participates in β ladder)trans-139.4135.1178.1-173.7178.5177.6-172.4-1.9109.1L180 L181 E192L180-R190 CarbonylContact C-O 3.58Å; L180-R190 WeakPolarHBondContact CA-O 3.36Å; L181-R190 HydrophobicContact CB-CB 4.04Å; L181-R190 PolarHBondContact N-O 3.22Å; L181-R190 PolarHBondContact O-N 2.78Å; R190-E192 IonicContact CZ-OE1 3.73Å; R190-E192 IonicContact CZ-OE2 2.73Å; R190-E192 IonicContact NE-OE1 3.51Å; R190-E192 IonicContact NE-OE2 3.06Å; R190-E192 PolarHBondContact NE-OE2 3.25Å; R190-E192 VanDerWaalsContact NE-OE2 3.14Å; R190-E192 IonicContact NH2-OE1 2.87Å; R190-E192 PolarHBondContact NH2-OE1 2.76Å; R190-E192 IonicContact NH2-OE2 3.02Å; R190-E192 PolarHBondContact NH2-OE2 3.43Å
191S92Very high93.3Very high4 Ų441.5 Ų41.53%0.02823%0.231CC..EExtended strand (participates in β ladder)trans-143.4116.3172.4-167.40000108.1N179 T270N179-S191 WeakPolarHBondContact O-CA 3.42Å; S191-T270 WeakPolarHBondContact CB-O 3.4Å; S191-T270 PolarHBondContact OG-O 2.92Å
192E92.7Very high93.4Very high16 Ų1642.3 Ų42.38%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-140.1147.3176.563.8-179.5-154.700109.8N179 R190 L268N179-E192 HydrophobicContact CB-CG 3.51Å; N179-E192 PolarHBondContact N-O 2.73Å; N179-E192 PolarHBondContact ND2-OE1 2.89Å; N179-E192 PolarHBondContact O-N 2.72Å; R190-E192 IonicContact CZ-OE1 3.73Å; R190-E192 IonicContact CZ-OE2 2.73Å; R190-E192 IonicContact NE-OE1 3.51Å; R190-E192 IonicContact NE-OE2 3.06Å; R190-E192 PolarHBondContact NE-OE2 3.25Å; R190-E192 VanDerWaalsContact NE-OE2 3.14Å; R190-E192 IonicContact NH2-OE1 2.87Å; R190-E192 PolarHBondContact NH2-OE1 2.76Å; R190-E192 IonicContact NH2-OE2 3.02Å; R190-E192 PolarHBondContact NH2-OE2 3.43Å; E192-L268 WeakPolarHBondContact CA-O 3.42Å
193I94.1Very high93.6Very high0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-107.1120172.5-53.7167.6000106.3E176 R267 L268 T270 V272 V386E176-I193 HydrophobicContact CB-CG2 3.86Å; E176-I193 HydrophobicContact CG-CG2 4.11Å; I193-R267 WeakPolarHBondContact O-CA 3.12Å; I193-L268 HydrophobicContact CB-CB 4.29Å; I193-L268 PolarHBondContact N-O 2.77Å; I193-L268 PolarHBondContact O-N 2.95Å; I193-T270 HydrophobicContact CD1-CG2 3.51Å; I193-T270 HydrophobicContact CG1-CG2 4.05Å; I193-V272 HydrophobicContact CD1-CG2 3.89Å; I193-V272 HydrophobicContact CG1-CG2 4.16Å; I193-V386 HydrophobicContact CD1-CB 3.85Å; I193-V386 HydrophobicContact CD1-CG1 3.61Å; I193-V386 HydrophobicContact CG1-CB 4.5Å; I193-V386 HydrophobicContact CG1-CG1 4.25Å
194V95Very high93.8Very high48 Ų4841.1 Ų41.129%0.29123%0.228SC..EExtended strand (participates in β ladder)trans-103.5105.6169.8-179.30000107S177S177-V194 WeakPolarHBondContact CB-O 3.49Å; S177-V194 PolarHBondContact N-O 3.08Å; S177-V194 PolarHBondContact O-N 2.94Å
195G95.7Very high94.1Very high1 Ų139.3 Ų39.31%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-98.8149.117900000112.5I175 S265 Y266I175-G195 CarbonylContact O-C 3.53Å; I175-G195 VanDerWaalsContact O-CA 3.25Å; I175-G195 WeakPolarHBondContact O-CA 3.45Å; G195-S265 CarbonylContact O-C 3.52Å; G195-S265 VanDerWaalsContact O-CA 3.26Å; G195-S265 WeakPolarHBondContact O-CA 3.42Å; G195-Y266 VanDerWaalsContact CA-CZ 3.49Å; G195-Y266 PolarHBondContact N-O 2.89Å; G195-Y266 PolarHBondContact O-N 3.5Å
196S97.1Very high94.5Very high18 Ų1837.2 Ų37.213%0.12620%0.195CC..EExtended strand (participates in β ladder)trans-136.1134.9175.7179.90000109I175 E262I175-S196 PolarHBondContact N-O 3.15Å; I175-S196 PolarHBondContact O-N 2.89Å; S196-E262 WeakPolarHBondContact CB-OE1 3.14Å; S196-E262 WeakPolarHBondContact OG-CG 3.44Å; S196-E262 PolarHBondContact OG-OE1 2.92Å
197V97.4Very high95.1Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-108.198.6172.6-176.70000107.4D173 V174 L263 M264 Y266D173-V197 WeakPolarHBondContact O-CA 3.14Å; V174-V197 HydrophobicContact CG2-CG2 4.44Å; V197-L263 PolarHBondContact O-N 2.83Å; V197-M264 HydrophobicContact CB-CG 3.66Å; V197-M264 HydrophobicContact CG2-CG 3.66Å; V197-M264 HydrophobicContact CG2-SD 4.08Å; V197-M264 PolarHBondContact N-O 2.97Å; V197-Y266 HydrophobicContact CG2-CE1 4.2Å
198K97.9Very high95.4Very high77 Ų7733.5 Ų33.534%0.33516%0.164SC..EExtended strand (participates in β ladder)trans-88.9139.1174.5-61.7-171.2176.7-169.10109.8L172 D173 I175L172-K198 WeakPolarHBondContact CA-O 3.26Å; D173-K198 HydrophobicContact CB-CB 4.29Å; D173-K198 PolarHBondContact N-O 2.69Å; D173-K198 PolarHBondContact O-N 3.36Å; I175-K198 HydrophobicContact CD1-CD 4.09Å; I175-K198 HydrophobicContact CD1-CG 4.47Å
199M98Very high95.7Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-120.7141.4179.5-65-168.270.500110.3V170 F171 L172 V201 L209 F254 E260 F261 L263 L394V170-M199 HydrophobicContact CG1-CE 3.36Å; F171-M199 CarbonylContact O-C 3.53Å; F171-M199 VanDerWaalsContact O-CA 3.26Å; F171-M199 WeakPolarHBondContact O-CA 3.23Å; L172-M199 HydrophobicContact CD1-CE 4.46Å; L172-M199 HydrophobicContact CD2-CE 4.23Å; L172-M199 HydrophobicContact CG-CE 4.08Å; L172-M199 HydrophobicContact CG-CG 4.33Å; M199-V201 HydrophobicContact CB-CG2 4.1Å; M199-V201 HydrophobicContact CE-CG2 4.03Å; M199-L209 HydrophobicContact CE-CD2 3.88Å; M199-F254 HydrophobicContact CE-CE2 4.18Å; M199-F254 HydrophobicContact CE-CZ 4.04Å; M199-F254 HydrophobicContact SD-CE2 3.75Å; M199-F254 HydrophobicContact SD-CZ 3.64Å; M199-E260 CarbonylContact O-C 3.52Å; M199-E260 VanDerWaalsContact O-CA 3.28Å; M199-E260 WeakPolarHBondContact O-CA 3.29Å; M199-F261 HydrophobicContact CB-CD1 4.24Å; M199-F261 HydrophobicContact CB-CE1 3.72Å; M199-F261 HydrophobicContact CB-CZ 3.88Å; M199-F261 HydrophobicContact CG-CZ 4.31Å; M199-F261 PolarHBondContact N-O 2.87Å; M199-F261 PolarHBondContact O-N 3.18Å; M199-F261 HydrophobicContact SD-CZ 3.91Å; M199-L263 HydrophobicContact CG-CB 4Å; M199-L263 HydrophobicContact SD-CB 3.85Å; M199-L263 HydrophobicContact SD-CD1 4.43Å; M199-L263 HydrophobicContact SD-CD2 3.6Å; M199-L263 HydrophobicContact SD-CG 4.14Å; M199-L394 HydrophobicContact CE-CD2 4.13Å
200R97.8Very high95.9Very high106 Ų10630.9 Ų30.940%0.414%0.142SC..EExtended strand (participates in β ladder)trans-119.1109.2165.4-60.4172.558.8-166-0.3108V170 F171 F202 G259 E260V170-R200 WeakPolarHBondContact CA-O 3.45Å; F171-R200 HydrophobicContact CB-CB 4.19Å; F171-R200 HydrophobicContact CD2-CB 4.26Å; F171-R200 PolarHBondContact N-O 3.41Å; F171-R200 PolarHBondContact O-N 3.34Å; R200-F202 HydrophobicContact CB-CE2 4.03Å; R200-F202 HydrophobicContact CB-CZ 4.49Å; R200-G259 CarbonylContact C-O 3.54Å; R200-G259 WeakPolarHBondContact CA-O 3.3Å; R200-E260 HydrophobicContact CG-CB 4.04Å; R200-E260 HydrophobicContact CG-CG 3.98Å
201V97.7Very high96.1Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-110.6116.6-169.7179.10000109.7V170 M199 L203 P256 G259 F261V170-V201 HydrophobicContact CG1-CG2 4.1Å; M199-V201 HydrophobicContact CB-CG2 4.1Å; M199-V201 HydrophobicContact CE-CG2 4.03Å; V201-L203 HydrophobicContact CG1-CB 3.92Å; V201-L203 HydrophobicContact CG1-CD1 3.71Å; V201-L203 HydrophobicContact CG1-CG 3.62Å; V201-P256 HydrophobicContact CB-CB 4.28Å; V201-P256 HydrophobicContact CG1-CB 4Å; V201-P256 HydrophobicContact CG1-CG 3.7Å; V201-P256 HydrophobicContact CG2-CB 3.84Å; V201-P256 HydrophobicContact CG2-CG 4.33Å; V201-G259 PolarHBondContact N-O 3.07Å; V201-G259 PolarHBondContact O-N 3.28Å; V201-F261 HydrophobicContact CB-CE1 4.45Å; V201-F261 HydrophobicContact CG2-CE1 3.66Å; V201-F261 HydrophobicContact CG2-CZ 4.42Å
202F97.2Very high96.1Very high52 Ų5225.1 Ų25.123%0.22812%0.121CC..EExtended strand (participates in β ladder)trans-119.176.2174.1-55.9-75.2000107.6Y165 N168 E169 F171 R200Y165-F202 HydrophobicContact CD1-CB 3.98Å; Y165-F202 HydrophobicContact CD1-CD1 4.35Å; Y165-F202 VanDerWaalsContact CD2-C 3.45Å; Y165-F202 HydrophobicContact CD2-CB 4.28Å; Y165-F202 HydrophobicContact CE1-CB 3.99Å; Y165-F202 AromaticContact CE1-CD1 3.61Å; Y165-F202 HydrophobicContact CE1-CD1 3.61Å; Y165-F202 HydrophobicContact CE1-CG 4.27Å; Y165-F202 HydrophobicContact CE2-CB 4.28Å; Y165-F202 HydrophobicContact CG-CB 4.12Å; Y165-F202 AromaticContact CZ-CD1 3.75Å; N168-F202 CarbonylContact C-O 3.49Å; N168-F202 VanDerWaalsContact CA-O 3.25Å; N168-F202 WeakPolarHBondContact CA-O 3.48Å; E169-F202 PolarHBondContact N-O 3.16Å; E169-F202 CarbonylContact O-C 3.38Å; E169-F202 PolarHBondContact O-N 2.9Å; F171-F202 HydrophobicContact CD2-CD2 4.06Å; F171-F202 AromaticContact CD2-CE2 3.97Å; F171-F202 HydrophobicContact CD2-CE2 3.97Å; F171-F202 AromaticContact CE2-CD2 3.83Å; F171-F202 HydrophobicContact CE2-CD2 3.83Å; F171-F202 AromaticContact CE2-CE2 3.91Å; F171-F202 HydrophobicContact CE2-CE2 3.91Å; R200-F202 HydrophobicContact CB-CE2 4.03Å; R200-F202 HydrophobicContact CB-CZ 4.49Å
203L97.2Very high96Very high0 Ų024.9 Ų24.90%012%0.12CC..  trans-123.5143.9-174.3-68.4-176.4000110.8R159 Y165 N168 V170 V201 P207 L209 I396 Y402 A404R159-L203 PolarHBondContact NH2-O 3.28Å; Y165-L203 WeakPolarHBondContact CD2-O 3.37Å; N168-L203 HydrophobicContact CB-CD2 3.79Å; V170-L203 HydrophobicContact CG2-CD1 3.62Å; V170-L203 HydrophobicContact CG2-CD2 3.79Å; V170-L203 HydrophobicContact CG2-CG 3.74Å; V201-L203 HydrophobicContact CG1-CB 3.92Å; V201-L203 HydrophobicContact CG1-CD1 3.71Å; V201-L203 HydrophobicContact CG1-CG 3.62Å; L203-P207 HydrophobicContact CB-CG 3.85Å; L203-P207 HydrophobicContact CD1-CB 4.09Å; L203-P207 HydrophobicContact CD1-CG 3.61Å; L203-P207 HydrophobicContact CG-CG 4.41Å; L203-L209 HydrophobicContact CD1-CD1 3.72Å; L203-L209 HydrophobicContact CD1-CD2 4.37Å; L203-I396 HydrophobicContact CD1-CG2 4.15Å; L203-Y402 HydrophobicContact CD2-CE2 4.05Å; L203-A404 HydrophobicContact CD2-CB 3.72Å
204S96.5Very high95.7Very high17 Ų1725 Ų2512%0.11912%0.121CC..SBendtrans-83.4147.6176.8-52.30000111.3I163 Y165 N168 Y402I163-S204 CarbonylContact O-C 3.51Å; I163-S204 VanDerWaalsContact O-CA 3.24Å; I163-S204 WeakPolarHBondContact O-CA 3.28Å; Y165-S204 PolarHBondContact N-OG 3.09Å; Y165-S204 PolarHBondContact O-OG 2.77Å; N168-S204 WeakPolarHBondContact OD1-CB 3.37Å; N168-S204 PolarHBondContact OD1-N 2.85Å; N168-S204 PolarHBondContact OD1-OG 3.19Å; S204-Y402 VanDerWaalsContact O-CE1 3.24Å; S204-Y402 WeakPolarHBondContact O-CE1 3.36Å; S204-Y402 PolarHBondContact O-OH 3Å
205G94.6Very high95Very high19 Ų1923.2 Ų23.220%0.19611%0.109CC..SBendtrans73.1-145.9175.900000113.8R159 I163 P207R159-G205 PolarHBondContact NE-O 3.47Å; R159-G205 PolarHBondContact NH2-O 3.25Å; I163-G205 PolarHBondContact O-N 3.43Å; G205-P207 VanDerWaalsContact O-CD 3.3Å; G205-P207 WeakPolarHBondContact O-CD 3.47Å
206M95Very high94Very high50 Ų5026.8 Ų26.825%0.24613%0.125CC..  trans-122.464.8-173.1-66.2-63.3-7600110.6V156 R159 E161 I255 E398V156-M206 HydrophobicContact CB-CE 4.35Å; V156-M206 HydrophobicContact CG1-CE 3.78Å; R159-M206 HydrophobicContact CB-CE 4.28Å; R159-M206 HydrophobicContact CB-SD 4.33Å; R159-M206 VanDerWaalsContact CD-SD 3.56Å; R159-M206 HydrophobicContact CG-CE 4.36Å; R159-M206 HydrophobicContact CG-SD 3.78Å; E161-M206 HydrophobicContact CG-CG 4.15Å; E161-M206 HydrophobicContact CG-SD 4.22Å; M206-I255 HydrophobicContact CE-CG2 4.23Å; M206-E398 PolarHBondContact N-OE2 3.42Å
207P96.3Very high92.9Very high0 Ų028.6 Ų28.60%013%0.132CC..  trans-72135.3-169.729.9-37.4000111.2L203 G205 L209 P256 I396 I397 E398L203-P207 HydrophobicContact CB-CG 3.85Å; L203-P207 HydrophobicContact CD1-CB 4.09Å; L203-P207 HydrophobicContact CD1-CG 3.61Å; L203-P207 HydrophobicContact CG-CG 4.41Å; G205-P207 VanDerWaalsContact O-CD 3.3Å; G205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-L209 HydrophobicContact CB-CD1 3.76Å; P207-L209 HydrophobicContact CG-CD1 4.02Å; P207-P256 HydrophobicContact CG-CG 4.31Å; P207-P256 VanDerWaalsContact O-CD 3.27Å; P207-P256 WeakPolarHBondContact O-CD 3.22Å; P207-I396 HydrophobicContact CB-CG2 4.29Å; P207-I397 CarbonylContact C-O 3.56Å; P207-I397 WeakPolarHBondContact CA-O 3.41Å; P207-E398 WeakPolarHBondContact CA-OE2 3.47Å; P207-E398 HydrophobicContact CB-CB 4.23Å
208E96.6Very high91.6Very high34 Ų3429.9 Ų29.916%0.15914%0.139CC..EExtended strand (participates in β ladder)trans-86.3114.7165.4-175.1176.7132.200108.8R210 R242 R245 S253 I397E208-R210 IonicContact OE1-CZ 3.65Å; E208-R210 IonicContact OE1-NE 3.6Å; E208-R210 PolarHBondContact OE1-NE 2.95Å; E208-R210 IonicContact OE1-NH2 3.86Å; E208-R210 PolarHBondContact OE1-NH2 3.31Å; E208-R242 IonicContact OE1-NH1 2.89Å; E208-R242 IonicContact OE2-CZ 2.67Å; E208-R242 IonicContact OE2-NH1 3.96Å; E208-R242 PolarHBondContact OE2-NH1 3.01Å; E208-R242 IonicContact OE2-NH2 3.52Å; E208-R245 IonicContact OE1-NH1 2.77Å; E208-R245 PolarHBondContact OE1-NH1 3.47Å; E208-R245 IonicContact OE2-NH1 2.78Å; E208-S253 PolarHBondContact OE1-OG 2.83Å; E208-I397 HydrophobicContact CB-CB 4.34Å; E208-I397 PolarHBondContact N-O 3.08Å; E208-I397 WeakPolarHBondContact O-CB 3.35Å; E208-I397 PolarHBondContact O-N 3.18Å
209L97.3Very high90.3Very high0 Ų026.5 Ų26.50%013%0.125CC..EExtended strand (participates in β ladder)trans-93.6146.4174.5-88.659.9000110.7M199 L203 P207 S253 F254 P256 L394 K395 I396M199-L209 HydrophobicContact CE-CD2 3.88Å; L203-L209 HydrophobicContact CD1-CD1 3.72Å; L203-L209 HydrophobicContact CD1-CD2 4.37Å; P207-L209 HydrophobicContact CB-CD1 3.76Å; P207-L209 HydrophobicContact CG-CD1 4.02Å; L209-S253 WeakPolarHBondContact O-CA 3.12Å; L209-F254 HydrophobicContact CB-CD1 4.35Å; L209-F254 HydrophobicContact CB-CD2 4.08Å; L209-F254 HydrophobicContact CB-CE1 3.96Å; L209-F254 HydrophobicContact CB-CE2 3.67Å; L209-F254 HydrophobicContact CB-CG 4.39Å; L209-F254 HydrophobicContact CB-CZ 3.6Å; L209-F254 HydrophobicContact CD2-CE2 3.76Å; L209-F254 HydrophobicContact CD2-CZ 3.95Å; L209-F254 HydrophobicContact CG-CE2 4.36Å; L209-F254 HydrophobicContact CG-CZ 4.42Å; L209-F254 PolarHBondContact N-O 3.29Å; L209-F254 PolarHBondContact O-N 2.81Å; L209-P256 HydrophobicContact CD1-CG 3.96Å; L209-P256 HydrophobicContact CD2-CB 4.42Å; L209-P256 HydrophobicContact CD2-CG 3.93Å; L209-P256 HydrophobicContact CG-CG 4.46Å; L209-L394 HydrophobicContact CB-CD1 4.21Å; L209-L394 HydrophobicContact CD2-CD1 4.11Å; L209-L394 HydrophobicContact CD2-CD2 4.05Å; L209-L394 HydrophobicContact CD2-CG 4.45Å; L209-L394 HydrophobicContact CG-CD1 4.18Å; L209-K395 CarbonylContact C-O 3.59Å; L209-K395 VanDerWaalsContact CA-O 3.3Å; L209-K395 WeakPolarHBondContact CA-O 3.36Å; L209-I396 HydrophobicContact CD1-CG1 4.3Å; L209-I396 HydrophobicContact CD1-CG2 4.17Å; L209-I396 HydrophobicContact CG-CG1 4.22Å
210R96.4Very high89.1Confident85 Ų8532.5 Ų32.532%0.32115%0.153SC..EExtended strand (participates in β ladder)trans-131.9116.4169.6-54.2-177-174.8170.85.5110.7E208 I252 L394 K395 I397E208-R210 IonicContact OE1-CZ 3.65Å; E208-R210 IonicContact OE1-NE 3.6Å; E208-R210 PolarHBondContact OE1-NE 2.95Å; E208-R210 IonicContact OE1-NH2 3.86Å; E208-R210 PolarHBondContact OE1-NH2 3.31Å; R210-I252 CarbonylContact C-O 3.6Å; R210-I252 VanDerWaalsContact CA-O 3.29Å; R210-I252 WeakPolarHBondContact CA-O 3.3Å; R210-L394 WeakPolarHBondContact O-CA 3.2Å; R210-K395 HydrophobicContact CB-CB 4.23Å; R210-K395 PolarHBondContact N-O 3.09Å; R210-K395 PolarHBondContact O-N 3.49Å; R210-I397 HydrophobicContact CG-CD1 4.49Å
211L95.6Very high87.7Confident3 Ų331.7 Ų31.72%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-95.2127179.6178.566.6000110.1L172 L213 I252 F254 L263 M264 V391 L394L172-L211 HydrophobicContact CD2-CD1 3.93Å; L211-L213 HydrophobicContact CD1-CD2 4.31Å; L211-L213 HydrophobicContact CD2-CD2 4.14Å; L211-L213 HydrophobicContact CD2-CG 4.3Å; L211-L213 HydrophobicContact CG-CD2 4.14Å; L211-L213 HydrophobicContact CG-CG 4.27Å; L211-I252 HydrophobicContact CB-CB 4.11Å; L211-I252 HydrophobicContact CB-CG2 4.17Å; L211-I252 HydrophobicContact CD2-CD1 4.19Å; L211-I252 HydrophobicContact CG-CD1 4.47Å; L211-I252 PolarHBondContact N-O 2.82Å; L211-F254 HydrophobicContact CB-CE1 4.05Å; L211-L263 HydrophobicContact CD2-CD2 3.6Å; L211-M264 HydrophobicContact CD2-SD 4.3Å; L211-V391 HydrophobicContact CD1-CG1 3.66Å; L211-V391 HydrophobicContact CD1-CG2 4.35Å; L211-L394 HydrophobicContact CB-CD1 4.23Å; L211-L394 HydrophobicContact CD1-CD1 4.33Å
212G91.8Very high86.4Confident2 Ų236.3 Ų36.32%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-107.3119.4172.100000111.1R392 Y393G212-R392 PolarHBondContact O-N 3.35Å; G212-Y393 PolarHBondContact N-O 3.31Å; G212-Y393 PolarHBondContact O-N 3.29Å
213L91.3Very high85Confident10 Ų1037 Ų375%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-105.3168.6173-60.3178.8000110.8L211 D215 I252 M264 I389 Q390 V391L211-L213 HydrophobicContact CD1-CD2 4.31Å; L211-L213 HydrophobicContact CD2-CD2 4.14Å; L211-L213 HydrophobicContact CD2-CG 4.3Å; L211-L213 HydrophobicContact CG-CD2 4.14Å; L211-L213 HydrophobicContact CG-CG 4.27Å; L213-D215 PolarHBondContact O-N 2.93Å; L213-I252 HydrophobicContact CD1-CD1 3.85Å; L213-I252 HydrophobicContact CG-CD1 4.22Å; L213-M264 HydrophobicContact CD1-CE 3.89Å; L213-M264 HydrophobicContact CD1-SD 3.83Å; L213-I389 HydrophobicContact CD1-CD1 4.25Å; L213-I389 HydrophobicContact CD2-CD1 4.36Å; L213-I389 HydrophobicContact CD2-CG1 4.44Å; L213-Q390 WeakPolarHBondContact CA-O 3.33Å; L213-V391 HydrophobicContact CD2-CG2 3.9Å
214N87.5Confident83.2Confident4 Ų439 Ų392%0.02123%0.227CC..  trans-79.946171.362.1-26.6000113.5K216 F219 L230 G388 Q390N214-K216 PolarHBondContact O-N 2.85Å; N214-F219 HydrophobicContact CB-CE2 3.99Å; N214-L230 PolarHBondContact O-N 3.36Å; N214-G388 PolarHBondContact ND2-O 3.31Å; N214-Q390 HydrophobicContact CB-CB 4.37Å; N214-Q390 PolarHBondContact N-O 2.94Å; N214-Q390 PolarHBondContact OD1-N 3.24Å; N214-Q390 PolarHBondContact OD1-O 3.33Å
215D79.8Confident81.3Confident9 Ų948.1 Ų48.15%0.04827%0.265CS..BIsolated β-bridgetrans-67.5124.8179.9-175.3-7.5000111.2L213 I217 L218 F219 F232 R250L213-D215 PolarHBondContact O-N 2.93Å; D215-I217 VanDerWaalsContact C-N 3.28Å; D215-I217 PolarHBondContact O-N 2.99Å; D215-I217 PolarHBondContact OD1-N 3.27Å; D215-L218 HydrophobicContact CB-CB 4.1Å; D215-L218 PolarHBondContact O-N 3.11Å; D215-F219 WeakPolarHBondContact O-CD2 3.43Å; D215-F219 PolarHBondContact O-N 3.12Å; D215-F232 HydrophobicContact CB-CD2 4.25Å; D215-F232 HydrophobicContact CB-CE2 4.25Å; D215-R250 IonicContact OD1-NH2 2.93Å; D215-R250 IonicContact OD2-CZ 3.8Å; D215-R250 VanDerWaalsContact OD2-CZ 3.27Å; D215-R250 IonicContact OD2-NE 3.78Å; D215-R250 PolarHBondContact OD2-NE 3.02Å; D215-R250 IonicContact OD2-NH2 3.53Å; D215-R250 PolarHBondContact OD2-NH2 2.73Å
216K75.6Confident79.4Confident77 Ų7752.2 Ų52.234%0.33528%0.277SS..Hα-helixtrans-52.9-44.7177.3-173.4170.6170-176.10112N214 F219 E220 H229 L230 F231N214-K216 PolarHBondContact O-N 2.85Å; K216-F219 PolarHBondContact O-N 3.01Å; K216-F219 VanDerWaalsContact O-N 3.16Å; K216-E220 WeakPolarHBondContact CE-OE1 3.47Å; K216-E220 HydrophobicContact CG-CG 4.36Å; K216-E220 IonicContact NZ-OE1 2.62Å; K216-E220 WeakPolarHBondContact O-CG 3.49Å; K216-E220 PolarHBondContact O-N 3.15Å; K216-H229 HydrophobicContact CB-CB 3.68Å; K216-H229 HydrophobicContact CD-CB 4.16Å; K216-H229 HydrophobicContact CG-CB 3.7Å; K216-L230 WeakPolarHBondContact CB-O 3.24Å; K216-L230 PolarHBondContact N-O 3.18Å; K216-F231 HydrophobicContact CB-CB 4.48Å; K216-F231 HydrophobicContact CD-CB 4.3Å
217I72.8Confident77.5Confident55 Ų5561.7 Ų61.728%0.28231%0.31SS..Hα-helixtrans-69.1-41-173.7-58.8167.8000110.6D215 F219 E220 S221 F231 R250D215-I217 VanDerWaalsContact C-N 3.28Å; D215-I217 PolarHBondContact O-N 2.99Å; D215-I217 PolarHBondContact OD1-N 3.27Å; I217-F219 PolarHBondContact O-N 2.81Å; I217-E220 PolarHBondContact O-N 2.9Å; I217-S221 PolarHBondContact O-N 3.01Å; I217-S221 PolarHBondContact O-OG 3.27Å; I217-F231 HydrophobicContact CD1-CD2 4.1Å; I217-F231 HydrophobicContact CD1-CE2 3.84Å; I217-F231 HydrophobicContact CG1-CD2 4.16Å; I217-F231 HydrophobicContact CG1-CE2 4.23Å; I217-R250 HydrophobicContact CB-CG 4.18Å; I217-R250 HydrophobicContact CG2-CG 3.77Å
218L71.6Confident75.8Confident28 Ų2865.9 Ų65.915%0.14734%0.336CS..Hα-helixtrans-64.4-28.9175.6-174.5134.4000112D215 S221 T222 R250D215-L218 HydrophobicContact CB-CB 4.1Å; D215-L218 PolarHBondContact O-N 3.11Å; L218-S221 PolarHBondContact O-OG 3.33Å; L218-T222 PolarHBondContact O-OG1 2.91Å; L218-R250 HydrophobicContact CB-CB 3.89Å; L218-R250 HydrophobicContact CD1-CB 3.86Å; L218-R250 HydrophobicContact CG-CB 4.37Å
219F70.4Confident74.3Confident6 Ų667.4 Ų67.43%0.02634%0.343CS..Hα-helixtrans-85.4-35.7178.6-80.6-60.7000114.4N214 D215 K216 I217 S221 T222 G223 S224 F226 H229 R392N214-F219 HydrophobicContact CB-CE2 3.99Å; D215-F219 WeakPolarHBondContact O-CD2 3.43Å; D215-F219 PolarHBondContact O-N 3.12Å; K216-F219 PolarHBondContact O-N 3.01Å; K216-F219 VanDerWaalsContact O-N 3.16Å; I217-F219 PolarHBondContact O-N 2.81Å; F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 3.46Å; F219-T222 WeakPolarHBondContact CA-OG1 3.47Å; F219-T222 PolarHBondContact O-N 3.09Å; F219-T222 PolarHBondContact O-OG1 3.29Å; F219-G223 PolarHBondContact O-N 3.08Å; F219-G223 VanDerWaalsContact O-N 3.08Å; F219-S224 PolarHBondContact O-N 2.68Å; F219-F226 HydrophobicContact CD1-CD2 4.21Å; F219-F226 AromaticContact CE1-CD2 3.61Å; F219-F226 HydrophobicContact CE1-CD2 3.61Å; F219-F226 AromaticContact CE1-CE2 3.97Å; F219-F226 HydrophobicContact CE1-CE2 3.97Å; F219-F226 AromaticContact CZ-CD2 3.93Å; F219-F226 HydrophobicContact CZ-CD2 3.93Å; F219-F226 HydrophobicContact CZ-CE2 4.41Å; F219-H229 VanDerWaalsContact CB-CE1 3.45Å; F219-H229 WeakPolarHBondContact CB-CE1 3.48Å; F219-H229 AromaticContact CD2-CE1 3.8Å; F219-H229 AromaticContact CD2-ND1 3.44Å; F219-H229 WeakPolarHBondContact CD2-ND1 3.44Å; F219-H229 AromaticContact CG-CE1 3.75Å; F219-H229 AromaticContact CG-ND1 3.8Å; F219-R392 VanDerWaalsContact CZ-CZ 3.44Å
220E71.3Confident73Confident126 Ų12668.3 Ų68.359%0.58935%0.348SS*.Hα-helixtrans-61.9-39.3174.2-75.8177.9169.200110.8K216 I217 T222 G223K216-E220 WeakPolarHBondContact CE-OE1 3.47Å; K216-E220 HydrophobicContact CG-CG 4.36Å; K216-E220 IonicContact NZ-OE1 2.62Å; K216-E220 WeakPolarHBondContact O-CG 3.49Å; K216-E220 PolarHBondContact O-N 3.15Å; I217-E220 PolarHBondContact O-N 2.9Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 3.35Å; E220-G223 PolarHBondContact O-N 3.43Å
221S68.3Low72Confident89 Ų8969.7 Ų69.762%0.62236%0.356SS*.Hα-helixtrans-68.5-25.1175.152.40000114.3I217 L218 F219I217-S221 PolarHBondContact O-N 3.01Å; I217-S221 PolarHBondContact O-OG 3.27Å; L218-S221 PolarHBondContact O-OG 3.33Å; F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 3.46Å
222T71.9Confident71Confident96 Ų9670 Ų7059%0.58936%0.357SS*.Hα-helixtrans-99.92.518050.20000114L218 F219 E220 S224L218-T222 PolarHBondContact O-OG1 2.91Å; F219-T222 WeakPolarHBondContact CA-OG1 3.47Å; F219-T222 PolarHBondContact O-N 3.09Å; F219-T222 PolarHBondContact O-OG1 3.29Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 3.35Å; T222-S224 VanDerWaalsContact C-N 3.26Å; T222-S224 PolarHBondContact O-N 3.03Å
223G66.2Low70.2Confident66 Ų6673.6 Ų73.668%0.6838%0.38SS*.THydrogen-bonded Turntrans68.518.1176.800000114.9F219 E220F219-G223 PolarHBondContact O-N 3.08Å; F219-G223 VanDerWaalsContact O-N 3.08Å; E220-G223 PolarHBondContact O-N 3.43Å
224S60.8Low69.9Low43 Ų4376 Ų7630%0.30139%0.394SS..  trans-87.2117.6-172-150.10000112.6F219 T222 F226F219-S224 PolarHBondContact O-N 2.68Å; T222-S224 VanDerWaalsContact C-N 3.26Å; T222-S224 PolarHBondContact O-N 3.03Å; S224-F226 VanDerWaalsContact C-N 3.31Å; S224-F226 PolarHBondContact O-N 3.27Å; S224-F226 VanDerWaalsContact OG-CD2 3.23Å; S224-F226 WeakPolarHBondContact OG-CD2 3.4Å; S224-F226 WeakPolarHBondContact OG-CE2 3.39Å
225K56Low70.2Confident208 Ų20877.4 Ų77.490%0.90440%0.402SS*.  trans-80.759.7-179.2-62.9-175.3-179179.80113.3
226F55Low70.9Confident106 Ų10683.3 Ų83.347%0.46543%0.427SS..  trans-81.7151.3173.1-79.5-78000111.8F219 S224 H229F219-F226 HydrophobicContact CD1-CD2 4.21Å; F219-F226 AromaticContact CE1-CD2 3.61Å; F219-F226 HydrophobicContact CE1-CD2 3.61Å; F219-F226 AromaticContact CE1-CE2 3.97Å; F219-F226 HydrophobicContact CE1-CE2 3.97Å; F219-F226 AromaticContact CZ-CD2 3.93Å; F219-F226 HydrophobicContact CZ-CD2 3.93Å; F219-F226 HydrophobicContact CZ-CE2 4.41Å; S224-F226 VanDerWaalsContact C-N 3.31Å; S224-F226 PolarHBondContact O-N 3.27Å; S224-F226 VanDerWaalsContact OG-CD2 3.23Å; S224-F226 WeakPolarHBondContact OG-CD2 3.4Å; S224-F226 WeakPolarHBondContact OG-CE2 3.39Å; F226-H229 PolarHBondContact O-CD2 3.21Å; F226-H229 PolarHBondContact O-NE2 2.86Å
227R55.8Low71.9Confident249 Ų24981.4 Ų81.494%0.9442%0.419SS*.SBendtrans-79.4-17.8-174.5-81.9-175.2166.4-177.9-3.7114.5
228T59.1Low73Confident87 Ų8781 Ų8153%0.53442%0.416SS..  trans-133.5105.8-173.748.90000109.6
229H64.8Low74.1Confident66 Ų6684.9 Ų84.931%0.30643%0.433SS..  trans-116.5134.3178-65.2-67.9000109.2K216 F219 F226K216-H229 HydrophobicContact CB-CB 3.68Å; K216-H229 HydrophobicContact CD-CB 4.16Å; K216-H229 HydrophobicContact CG-CB 3.7Å; F219-H229 VanDerWaalsContact CB-CE1 3.45Å; F219-H229 WeakPolarHBondContact CB-CE1 3.48Å; F219-H229 AromaticContact CD2-CE1 3.8Å; F219-H229 AromaticContact CD2-ND1 3.44Å; F219-H229 WeakPolarHBondContact CD2-ND1 3.44Å; F219-H229 AromaticContact CG-CE1 3.75Å; F219-H229 AromaticContact CG-ND1 3.8Å; F226-H229 PolarHBondContact O-CD2 3.21Å; F226-H229 PolarHBondContact O-NE2 2.86Å
230L71.6Confident75.4Confident20 Ų2084.8 Ų84.811%0.10543%0.433CS..BIsolated β-bridgetrans-105.3123.1174.5-90.3159.3000110.4N214 K216 F232 L268 S387 I389N214-L230 PolarHBondContact O-N 3.36Å; K216-L230 WeakPolarHBondContact CB-O 3.24Å; K216-L230 PolarHBondContact N-O 3.18Å; L230-F232 HydrophobicContact CB-CD2 4.36Å; L230-F232 HydrophobicContact CB-CE1 4.4Å; L230-F232 HydrophobicContact CB-CE2 3.68Å; L230-F232 HydrophobicContact CB-CZ 3.71Å; L230-F232 HydrophobicContact CD1-CZ 4.12Å; L230-F232 HydrophobicContact CG-CZ 4.47Å; L230-L268 HydrophobicContact CD2-CD1 3.93Å; L230-S387 WeakPolarHBondContact CD1-O 3.23Å; L230-S387 WeakPolarHBondContact CD2-O 3.39Å; L230-I389 HydrophobicContact CD1-CB 3.83Å
231F74.3Confident76.6Confident113 Ų11379.1 Ų79.150%0.49641%0.407SS..  trans-89.3118.4169.7-179.8-108.3000108K216 I217 P233 L268K216-F231 HydrophobicContact CB-CB 4.48Å; K216-F231 HydrophobicContact CD-CB 4.3Å; I217-F231 HydrophobicContact CD1-CD2 4.1Å; I217-F231 HydrophobicContact CD1-CE2 3.84Å; I217-F231 HydrophobicContact CG1-CD2 4.16Å; I217-F231 HydrophobicContact CG1-CE2 4.23Å; F231-P233 HydrophobicContact CD1-CB 4.24Å; F231-P233 HydrophobicContact CE1-CB 3.76Å; F231-P233 VanDerWaalsContact O-CD 3.22Å; F231-P233 WeakPolarHBondContact O-CD 3.3Å; F231-L268 WeakPolarHBondContact O-CD2 3.42Å
232F74.9Confident77.9Confident9 Ų979 Ų794%0.03939%0.393CS..  trans-100.696.2177.2-61-83.4000109.2D215 L230 V235 Y266 L268 I389D215-F232 HydrophobicContact CB-CD2 4.25Å; D215-F232 HydrophobicContact CB-CE2 4.25Å; L230-F232 HydrophobicContact CB-CD2 4.36Å; L230-F232 HydrophobicContact CB-CE1 4.4Å; L230-F232 HydrophobicContact CB-CE2 3.68Å; L230-F232 HydrophobicContact CB-CZ 3.71Å; L230-F232 HydrophobicContact CD1-CZ 4.12Å; L230-F232 HydrophobicContact CG-CZ 4.47Å; F232-V235 HydrophobicContact CB-CG2 3.49Å; F232-V235 VanDerWaalsContact CB-CG2 3.49Å; F232-V235 HydrophobicContact CG-CG2 4.33Å; F232-Y266 AromaticContact CD1-CD2 3.85Å; F232-Y266 HydrophobicContact CD1-CD2 3.85Å; F232-Y266 AromaticContact CD1-CG 3.98Å; F232-Y266 HydrophobicContact CD1-CG 3.98Å; F232-Y266 AromaticContact CE1-CD2 3.8Å; F232-Y266 HydrophobicContact CE1-CD2 3.8Å; F232-Y266 HydrophobicContact CE1-CE2 4.05Å; F232-Y266 HydrophobicContact CE1-CG 4.08Å; F232-L268 HydrophobicContact CD1-CD2 4.11Å; F232-L268 HydrophobicContact CE1-CD1 4.44Å; F232-I389 HydrophobicContact CE1-CD1 3.93Å; F232-I389 HydrophobicContact CE1-CG1 4.48Å; F232-I389 HydrophobicContact CZ-CB 4.49Å; F232-I389 HydrophobicContact CZ-CD1 3.81Å; F232-I389 HydrophobicContact CZ-CG1 4Å
233P74.9Confident79Confident78 Ų7878.8 Ų78.851%0.50639%0.388SS..SBendtrans-71.4-35.5-176.227.8-32.6000112.6F231 R267F231-P233 HydrophobicContact CD1-CB 4.24Å; F231-P233 HydrophobicContact CE1-CB 3.76Å; F231-P233 VanDerWaalsContact O-CD 3.22Å; F231-P233 WeakPolarHBondContact O-CD 3.3Å; P233-R267 WeakPolarHBondContact CD-O 3.24Å; P233-R267 WeakPolarHBondContact CG-O 3.19Å
234D86.1Confident80.3Confident62 Ų6279.2 Ų79.233%0.33238%0.38SS..EExtended strand (participates in β ladder)trans-131.7111.5-175.3-177.313.3000108.1Y266 R267D234-Y266 CarbonylContact O-C 3.52Å; D234-Y266 VanDerWaalsContact O-CA 3.29Å; D234-Y266 WeakPolarHBondContact O-CA 3.43Å; D234-R267 HydrophobicContact CB-CB 4.3Å; D234-R267 PolarHBondContact O-N 2.86Å; D234-R267 IonicContact OD2-NH1 2.72Å; D234-R267 PolarHBondContact OD2-NH1 3.21Å
235V92.4Very high81.7Confident32 Ų3281.4 Ų81.419%0.19438%0.382CS..EExtended strand (participates in β ladder)trans-130.3128.3178.7-176.60000108.3F232 F237 M264 S265F232-V235 HydrophobicContact CB-CG2 3.49Å; F232-V235 VanDerWaalsContact CB-CG2 3.49Å; F232-V235 HydrophobicContact CG-CG2 4.33Å; V235-F237 HydrophobicContact CB-CE2 4.24Å; V235-F237 HydrophobicContact CB-CZ 4.38Å; V235-F237 HydrophobicContact CG1-CD1 4.32Å; V235-F237 HydrophobicContact CG1-CD2 4.1Å; V235-F237 HydrophobicContact CG1-CE1 3.81Å; V235-F237 HydrophobicContact CG1-CE2 3.56Å; V235-F237 HydrophobicContact CG1-CG 4.46Å; V235-F237 HydrophobicContact CG1-CZ 3.4Å; V235-M264 HydrophobicContact CG1-CB 4.48Å; V235-M264 HydrophobicContact CG1-CE 3.65Å; V235-S265 CarbonylContact C-O 3.59Å; V235-S265 WeakPolarHBondContact CA-O 3.27Å
236K94.9Very high83.4Confident133 Ų13372.5 Ų72.558%0.57834%0.343SS*.EExtended strand (participates in β ladder)trans-112.3131.5170.6-52.1-175.8176.2-168.20108.9M264 S265K236-M264 CarbonylContact O-C 3.52Å; K236-M264 WeakPolarHBondContact O-CA 2.81Å; K236-S265 WeakPolarHBondContact CB-OG 3.34Å; K236-S265 PolarHBondContact N-O 3.2Å; K236-S265 PolarHBondContact O-N 3.2Å
237F96.7Very high85.1Confident38 Ų3874.7 Ų74.717%0.16736%0.355CS..EExtended strand (participates in β ladder)trans-106.3154.2179.2-67.3-74.5000111.5V235 V241 L243 F246 I252 M264V235-F237 HydrophobicContact CB-CE2 4.24Å; V235-F237 HydrophobicContact CB-CZ 4.38Å; V235-F237 HydrophobicContact CG1-CD1 4.32Å; V235-F237 HydrophobicContact CG1-CD2 4.1Å; V235-F237 HydrophobicContact CG1-CE1 3.81Å; V235-F237 HydrophobicContact CG1-CE2 3.56Å; V235-F237 HydrophobicContact CG1-CG 4.46Å; V235-F237 HydrophobicContact CG1-CZ 3.4Å; F237-V241 HydrophobicContact CB-CB 3.75Å; F237-V241 HydrophobicContact CB-CG1 4.19Å; F237-V241 HydrophobicContact CB-CG2 3.82Å; F237-V241 HydrophobicContact CD1-CB 4.16Å; F237-V241 HydrophobicContact CD1-CG1 3.92Å; F237-V241 HydrophobicContact CD1-CG2 3.79Å; F237-V241 HydrophobicContact CD2-CG1 4.42Å; F237-V241 HydrophobicContact CE1-CG1 4.41Å; F237-V241 HydrophobicContact CG-CB 4.03Å; F237-V241 HydrophobicContact CG-CG1 3.92Å; F237-V241 HydrophobicContact CG-CG2 4.09Å; F237-L243 HydrophobicContact CB-CD2 4.03Å; F237-L243 HydrophobicContact CD2-CD2 3.65Å; F237-L243 HydrophobicContact CG-CD2 4.19Å; F237-F246 AromaticContact CE2-CD1 3.6Å; F237-F246 HydrophobicContact CE2-CD1 3.6Å; F237-F246 HydrophobicContact CE2-CD2 4.05Å; F237-F246 AromaticContact CE2-CE1 3.52Å; F237-F246 HydrophobicContact CE2-CE1 3.52Å; F237-F246 AromaticContact CE2-CE2 3.99Å; F237-F246 HydrophobicContact CE2-CE2 3.99Å; F237-F246 AromaticContact CE2-CG 3.85Å; F237-F246 HydrophobicContact CE2-CG 3.85Å; F237-F246 AromaticContact CE2-CZ 3.69Å; F237-F246 HydrophobicContact CE2-CZ 3.69Å; F237-F246 HydrophobicContact CZ-CD1 4.14Å; F237-F246 AromaticContact CZ-CD2 3.74Å; F237-F246 HydrophobicContact CZ-CD2 3.74Å; F237-F246 AromaticContact CZ-CE1 3.92Å; F237-F246 HydrophobicContact CZ-CE1 3.92Å; F237-F246 AromaticContact CZ-CE2 3.52Å; F237-F246 HydrophobicContact CZ-CE2 3.52Å; F237-F246 HydrophobicContact CZ-CG 4.02Å; F237-F246 AromaticContact CZ-CZ 3.58Å; F237-F246 HydrophobicContact CZ-CZ 3.58Å; F237-I252 HydrophobicContact CD1-CG2 4.43Å; F237-I252 HydrophobicContact CE1-CD1 3.96Å; F237-I252 HydrophobicContact CE1-CG1 3.88Å; F237-I252 HydrophobicContact CE1-CG2 3.98Å; F237-I252 HydrophobicContact CZ-CD1 4.3Å; F237-I252 HydrophobicContact CZ-CG1 4.06Å; F237-M264 HydrophobicContact CD1-CB 3.67Å; F237-M264 HydrophobicContact CE1-CB 3.92Å; F237-M264 HydrophobicContact CE1-CE 4.28Å; F237-M264 HydrophobicContact CE1-SD 3.99Å
238H96.5Very high86.6Confident47 Ų4769.4 Ų69.422%0.21835%0.346CS..  trans-61.7152.3162.6-168-103000110.8C240 V241 P257 E262 L263H238-C240 WeakPolarHBondContact ND1-CB 3.29Å; H238-C240 PolarHBondContact ND1-N 3.33Å; H238-C240 PolarHBondContact ND1-SG 3.39Å; H238-C240 PolarHBondContact O-N 3.31Å; H238-V241 PolarHBondContact O-N 3.15Å; H238-P257 VanDerWaalsContact CE1-CG 3.49Å; H238-P257 WeakPolarHBondContact CE1-CG 3.36Å; H238-E262 WeakPolarHBondContact CB-O 3.4Å; H238-L263 WeakPolarHBondContact CB-O 3.19Å; H238-L263 PolarHBondContact N-O 2.93Å
239Q94.8Very high87.8Confident108 Ų10869.3 Ų69.351%0.50534%0.342SS..THydrogen-bonded Turntrans-53.6-23.4178.561175-1.900113.9W158 V241W158-Q239 HydrophobicContact CD2-CG 4.26Å; W158-Q239 HydrophobicContact CE3-CG 3.67Å; W158-Q239 HydrophobicContact CZ3-CB 4.41Å; W158-Q239 HydrophobicContact CZ3-CG 4.05Å; Q239-V241 PolarHBondContact O-N 3.22Å
240C96.5Very high88.9Confident4 Ų468.4 Ų68.43%0.02734%0.336CS..THydrogen-bonded Turntrans-69.9-16.2179.670.20000115.1W158 H238 F254 I255W158-C240 HydrophobicContact CD2-CB 4.11Å; W158-C240 VanDerWaalsContact CE2-CB 3.45Å; W158-C240 HydrophobicContact CG-CB 4.49Å; W158-C240 HydrophobicContact CH2-CB 4.45Å; W158-C240 HydrophobicContact CZ2-CB 3.68Å; H238-C240 WeakPolarHBondContact ND1-CB 3.29Å; H238-C240 PolarHBondContact ND1-N 3.33Å; H238-C240 PolarHBondContact ND1-SG 3.39Å; H238-C240 PolarHBondContact O-N 3.31Å; C240-F254 HydrophobicContact CB-CB 4.26Å; C240-F254 VanDerWaalsContact O-CA 3.22Å; C240-F254 WeakPolarHBondContact O-CA 3.4Å; C240-F254 WeakPolarHBondContact O-CB 3.16Å; C240-I255 VanDerWaalsContact CB-O 3.28Å; C240-I255 WeakPolarHBondContact CB-O 3.27Å
241V97.3Very high89.7Confident7 Ų768.7 Ų68.74%0.04234%0.338CS..BIsolated β-bridgetrans-82.8128.9-178.8-177.90000110.5F237 H238 Q239 L243 I252 F254 L263F237-V241 HydrophobicContact CB-CB 3.75Å; F237-V241 HydrophobicContact CB-CG1 4.19Å; F237-V241 HydrophobicContact CB-CG2 3.82Å; F237-V241 HydrophobicContact CD1-CB 4.16Å; F237-V241 HydrophobicContact CD1-CG1 3.92Å; F237-V241 HydrophobicContact CD1-CG2 3.79Å; F237-V241 HydrophobicContact CD2-CG1 4.42Å; F237-V241 HydrophobicContact CE1-CG1 4.41Å; F237-V241 HydrophobicContact CG-CB 4.03Å; F237-V241 HydrophobicContact CG-CG1 3.92Å; F237-V241 HydrophobicContact CG-CG2 4.09Å; H238-V241 PolarHBondContact O-N 3.15Å; Q239-V241 PolarHBondContact O-N 3.22Å; V241-L243 PolarHBondContact O-N 3.42Å; V241-I252 HydrophobicContact CG1-CG2 4.14Å; V241-I252 HydrophobicContact CG2-CG2 4.33Å; V241-F254 HydrophobicContact CG2-CB 4.07Å; V241-F254 HydrophobicContact CG2-CD1 4.48Å; V241-F254 HydrophobicContact CG2-CG 4.45Å; V241-L263 HydrophobicContact CG2-CD1 3.63Å
242R95.4Very high90.7Very high87 Ų8763.6 Ų63.633%0.32832%0.316SS..  trans-7488174.7-64.2-178.2175.6157.31109.9E208 S244 R245 F246 S253E208-R242 IonicContact OE1-NH1 2.89Å; E208-R242 IonicContact OE2-CZ 2.67Å; E208-R242 IonicContact OE2-NH1 3.96Å; E208-R242 PolarHBondContact OE2-NH1 3.01Å; E208-R242 IonicContact OE2-NH2 3.52Å; R242-S244 VanDerWaalsContact C-N 3.26Å; R242-S244 PolarHBondContact O-N 3.07Å; R242-R245 HydrophobicContact CB-CB 4.31Å; R242-R245 HydrophobicContact CB-CG 4.22Å; R242-R245 VanDerWaalsContact NH1-CZ 3.25Å; R242-R245 WeakPolarHBondContact O-CB 3.37Å; R242-R245 PolarHBondContact O-N 3.02Å; R242-F246 PolarHBondContact O-N 3.39Å; R242-S253 PolarHBondContact N-O 2.93Å
243L94.4Very high91.8Very high92 Ų9263.2 Ų63.248%0.48231%0.314SS..Hα-helixtrans-54.6-39.5-176.9-62.9-179.5000113.1F237 V241 R245 F246 E247F237-L243 HydrophobicContact CB-CD2 4.03Å; F237-L243 HydrophobicContact CD2-CD2 3.65Å; F237-L243 HydrophobicContact CG-CD2 4.19Å; V241-L243 PolarHBondContact O-N 3.42Å; L243-R245 VanDerWaalsContact C-N 3.27Å; L243-R245 PolarHBondContact O-N 2.88Å; L243-F246 WeakPolarHBondContact O-CB 3.42Å; L243-F246 PolarHBondContact O-N 3.26Å; L243-F246 VanDerWaalsContact O-N 3.07Å; L243-E247 WeakPolarHBondContact O-CG 3.26Å; L243-E247 PolarHBondContact O-N 3.24Å
244S93.2Very high92.9Very high74 Ų7459.5 Ų59.552%0.51729%0.29SS..Hα-helixtrans-60.5-33.7177.157.60000113.5R242 N248R242-S244 VanDerWaalsContact C-N 3.26Å; R242-S244 PolarHBondContact O-N 3.07Å; S244-N248 PolarHBondContact O-N 2.96Å; S244-N248 PolarHBondContact O-ND2 3.48Å
245R91.5Very high93.4Very high89 Ų8957.6 Ų57.634%0.33628%0.28SS..Hα-helixtrans-70.5-44.5173.1-70.7-170.9175.5179.1-3.4110.7E208 R242 L243 E247 N248 D249 S253E208-R245 IonicContact OE1-NH1 2.77Å; E208-R245 PolarHBondContact OE1-NH1 3.47Å; E208-R245 IonicContact OE2-NH1 2.78Å; R242-R245 HydrophobicContact CB-CB 4.31Å; R242-R245 HydrophobicContact CB-CG 4.22Å; R242-R245 VanDerWaalsContact NH1-CZ 3.25Å; R242-R245 WeakPolarHBondContact O-CB 3.37Å; R242-R245 PolarHBondContact O-N 3.02Å; L243-R245 VanDerWaalsContact C-N 3.27Å; L243-R245 PolarHBondContact O-N 2.88Å; R245-E247 VanDerWaalsContact C-N 3.33Å; R245-E247 PolarHBondContact O-N 3.22Å; R245-N248 PolarHBondContact O-N 3.32Å; R245-D249 PolarHBondContact O-N 2.97Å; R245-S253 PolarHBondContact NH1-OG 3.06Å; R245-S253 VanDerWaalsContact NH1-OG 3.07Å
246F91.8Very high93.6Very high21 Ų2156.1 Ų56.19%0.09227%0.271CS..Hα-helixtrans-61.4-39.5178.2-179.7-100.2000112.8F237 R242 L243 N248 R250 T251 I252F237-F246 AromaticContact CE2-CD1 3.6Å; F237-F246 HydrophobicContact CE2-CD1 3.6Å; F237-F246 HydrophobicContact CE2-CD2 4.05Å; F237-F246 AromaticContact CE2-CE1 3.52Å; F237-F246 HydrophobicContact CE2-CE1 3.52Å; F237-F246 AromaticContact CE2-CE2 3.99Å; F237-F246 HydrophobicContact CE2-CE2 3.99Å; F237-F246 AromaticContact CE2-CG 3.85Å; F237-F246 HydrophobicContact CE2-CG 3.85Å; F237-F246 AromaticContact CE2-CZ 3.69Å; F237-F246 HydrophobicContact CE2-CZ 3.69Å; F237-F246 HydrophobicContact CZ-CD1 4.14Å; F237-F246 AromaticContact CZ-CD2 3.74Å; F237-F246 HydrophobicContact CZ-CD2 3.74Å; F237-F246 AromaticContact CZ-CE1 3.92Å; F237-F246 HydrophobicContact CZ-CE1 3.92Å; F237-F246 AromaticContact CZ-CE2 3.52Å; F237-F246 HydrophobicContact CZ-CE2 3.52Å; F237-F246 HydrophobicContact CZ-CG 4.02Å; F237-F246 AromaticContact CZ-CZ 3.58Å; F237-F246 HydrophobicContact CZ-CZ 3.58Å; R242-F246 PolarHBondContact O-N 3.39Å; L243-F246 WeakPolarHBondContact O-CB 3.42Å; L243-F246 PolarHBondContact O-N 3.26Å; L243-F246 VanDerWaalsContact O-N 3.07Å; F246-N248 VanDerWaalsContact C-N 3.34Å; F246-N248 PolarHBondContact O-N 2.53Å; F246-R250 VanDerWaalsContact CZ-NH1 3.32Å; F246-R250 VanDerWaalsContact CZ-NH2 3.35Å; F246-R250 WeakPolarHBondContact O-CA 3.4Å; F246-R250 PolarHBondContact O-N 3.12Å; F246-T251 PolarHBondContact N-O 3.21Å; F246-I252 HydrophobicContact CD2-CG1 3.82Å; F246-I252 HydrophobicContact CE2-CG1 3.97Å
247E89.4Confident93.7Very high152 Ų15250 Ų5071%0.7124%0.244SC*.Hα-helixtrans-64.1-37.9175.5-74.3176.1177.700112.5L243 R245L243-E247 WeakPolarHBondContact O-CG 3.26Å; L243-E247 PolarHBondContact O-N 3.24Å; R245-E247 VanDerWaalsContact C-N 3.33Å; R245-E247 PolarHBondContact O-N 3.22Å
248N88.2Confident93.7Very high139 Ų13949.6 Ų49.674%0.74324%0.244SC*.Hα-helixtrans-74.9-48.9-176.6-73.8-29.8000113.6S244 R245 F246S244-N248 PolarHBondContact O-N 2.96Å; S244-N248 PolarHBondContact O-ND2 3.48Å; R245-N248 PolarHBondContact O-N 3.32Å; F246-N248 VanDerWaalsContact C-N 3.34Å; F246-N248 PolarHBondContact O-N 2.53Å
249D85.2Confident93.6Very high85 Ų8548 Ų4846%0.45524%0.24SC..Hα-helixtrans-13510.2-170.269.79.7000113.8R245 T251R245-D249 PolarHBondContact O-N 2.97Å; D249-T251 PolarHBondContact O-N 3.3Å; D249-T251 WeakPolarHBondContact OD1-CA 3.24Å; D249-T251 WeakPolarHBondContact OD1-CB 3.45Å; D249-T251 PolarHBondContact OD1-N 3.3Å; D249-T251 PolarHBondContact OD1-OG1 3.06Å; D249-T251 PolarHBondContact OD2-OG1 2.72Å
250R86.8Confident93.6Very high47 Ų4748.1 Ų48.118%0.17724%0.241CC..  trans62.116.8-177.1-54.1-66.5-66.5-171.4-4.5113.9D215 I217 L218 F246 I252D215-R250 IonicContact OD1-NH2 2.93Å; D215-R250 IonicContact OD2-CZ 3.8Å; D215-R250 VanDerWaalsContact OD2-CZ 3.27Å; D215-R250 IonicContact OD2-NE 3.78Å; D215-R250 PolarHBondContact OD2-NE 3.02Å; D215-R250 IonicContact OD2-NH2 3.53Å; D215-R250 PolarHBondContact OD2-NH2 2.73Å; I217-R250 HydrophobicContact CB-CG 4.18Å; I217-R250 HydrophobicContact CG2-CG 3.77Å; L218-R250 HydrophobicContact CB-CB 3.89Å; L218-R250 HydrophobicContact CD1-CB 3.86Å; L218-R250 HydrophobicContact CG-CB 4.37Å; F246-R250 VanDerWaalsContact CZ-NH1 3.32Å; F246-R250 VanDerWaalsContact CZ-NH2 3.35Å; F246-R250 WeakPolarHBondContact O-CA 3.4Å; F246-R250 PolarHBondContact O-N 3.12Å; R250-I252 PolarHBondContact O-N 3Å
251T88.5Confident93.6Very high26 Ų2648.9 Ų48.916%0.1624%0.244CC..  trans-78.8119.7175.4-58.20000111.5F246 D249 S253F246-T251 PolarHBondContact N-O 3.21Å; D249-T251 PolarHBondContact O-N 3.3Å; D249-T251 WeakPolarHBondContact OD1-CA 3.24Å; D249-T251 WeakPolarHBondContact OD1-CB 3.45Å; D249-T251 PolarHBondContact OD1-N 3.3Å; D249-T251 PolarHBondContact OD1-OG1 3.06Å; D249-T251 PolarHBondContact OD2-OG1 2.72Å; T251-S253 PolarHBondContact O-N 3.3Å
252I95.3Very high93.6Very high6 Ų652.5 Ų52.53%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-8395.6171.8-54.7168.2000108.2R210 L211 L213 F237 V241 F246 R250 F254 L263 M264R210-I252 CarbonylContact C-O 3.6Å; R210-I252 VanDerWaalsContact CA-O 3.29Å; R210-I252 WeakPolarHBondContact CA-O 3.3Å; L211-I252 HydrophobicContact CB-CB 4.11Å; L211-I252 HydrophobicContact CB-CG2 4.17Å; L211-I252 HydrophobicContact CD2-CD1 4.19Å; L211-I252 HydrophobicContact CG-CD1 4.47Å; L211-I252 PolarHBondContact N-O 2.82Å; L213-I252 HydrophobicContact CD1-CD1 3.85Å; L213-I252 HydrophobicContact CG-CD1 4.22Å; F237-I252 HydrophobicContact CD1-CG2 4.43Å; F237-I252 HydrophobicContact CE1-CD1 3.96Å; F237-I252 HydrophobicContact CE1-CG1 3.88Å; F237-I252 HydrophobicContact CE1-CG2 3.98Å; F237-I252 HydrophobicContact CZ-CD1 4.3Å; F237-I252 HydrophobicContact CZ-CG1 4.06Å; V241-I252 HydrophobicContact CG1-CG2 4.14Å; V241-I252 HydrophobicContact CG2-CG2 4.33Å; F246-I252 HydrophobicContact CD2-CG1 3.82Å; F246-I252 HydrophobicContact CE2-CG1 3.97Å; R250-I252 PolarHBondContact O-N 3Å; I252-F254 HydrophobicContact CG2-CD1 4.01Å; I252-F254 HydrophobicContact CG2-CE1 4.1Å; I252-L263 HydrophobicContact CG2-CD2 4.43Å; I252-M264 HydrophobicContact CD1-SD 3.91Å
253S97.1Very high93.7Very high0 Ų048.4 Ų48.40%025%0.245CC..EExtended strand (participates in β ladder)trans-115.8128.2-178.5177.30000110.6E208 L209 R242 R245 T251E208-S253 PolarHBondContact OE1-OG 2.83Å; L209-S253 WeakPolarHBondContact O-CA 3.12Å; R242-S253 PolarHBondContact N-O 2.93Å; R245-S253 PolarHBondContact NH1-OG 3.06Å; R245-S253 VanDerWaalsContact NH1-OG 3.07Å; T251-S253 PolarHBondContact O-N 3.3Å
254F98Very high93.9Very high0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-155159.4-173.357-79.2000112.8M199 L209 L211 C240 V241 I252 P256 F261 L263 L394M199-F254 HydrophobicContact CE-CE2 4.18Å; M199-F254 HydrophobicContact CE-CZ 4.04Å; M199-F254 HydrophobicContact SD-CE2 3.75Å; M199-F254 HydrophobicContact SD-CZ 3.64Å; L209-F254 HydrophobicContact CB-CD1 4.35Å; L209-F254 HydrophobicContact CB-CD2 4.08Å; L209-F254 HydrophobicContact CB-CE1 3.96Å; L209-F254 HydrophobicContact CB-CE2 3.67Å; L209-F254 HydrophobicContact CB-CG 4.39Å; L209-F254 HydrophobicContact CB-CZ 3.6Å; L209-F254 HydrophobicContact CD2-CE2 3.76Å; L209-F254 HydrophobicContact CD2-CZ 3.95Å; L209-F254 HydrophobicContact CG-CE2 4.36Å; L209-F254 HydrophobicContact CG-CZ 4.42Å; L209-F254 PolarHBondContact N-O 3.29Å; L209-F254 PolarHBondContact O-N 2.81Å; L211-F254 HydrophobicContact CB-CE1 4.05Å; C240-F254 HydrophobicContact CB-CB 4.26Å; C240-F254 VanDerWaalsContact O-CA 3.22Å; C240-F254 WeakPolarHBondContact O-CA 3.4Å; C240-F254 WeakPolarHBondContact O-CB 3.16Å; V241-F254 HydrophobicContact CG2-CB 4.07Å; V241-F254 HydrophobicContact CG2-CD1 4.48Å; V241-F254 HydrophobicContact CG2-CG 4.45Å; I252-F254 HydrophobicContact CG2-CD1 4.01Å; I252-F254 HydrophobicContact CG2-CE1 4.1Å; F254-P256 HydrophobicContact CD2-CB 4.05Å; F254-P256 HydrophobicContact CE2-CB 3.99Å; F254-F261 HydrophobicContact CE2-CZ 4.27Å; F254-L263 HydrophobicContact CD1-CD1 3.86Å; F254-L263 HydrophobicContact CD1-CD2 4.48Å; F254-L263 HydrophobicContact CD2-CD1 3.77Å; F254-L263 HydrophobicContact CE1-CD1 3.84Å; F254-L263 HydrophobicContact CE1-CD2 3.72Å; F254-L263 HydrophobicContact CE1-CG 4.45Å; F254-L263 HydrophobicContact CE2-CD1 3.74Å; F254-L263 HydrophobicContact CE2-CD2 4.34Å; F254-L263 HydrophobicContact CG-CD1 3.84Å; F254-L263 HydrophobicContact CZ-CD1 3.78Å; F254-L263 HydrophobicContact CZ-CD2 3.63Å; F254-L263 HydrophobicContact CZ-CG 4.35Å; F254-L394 HydrophobicContact CZ-CD1 4.43Å
255I97.5Very high94Very high23 Ų2342.2 Ų42.212%0.11821%0.209CC..  trans-104.5112.4163.8-64.9169.7000105.8V156 W158 M206 C240V156-I255 HydrophobicContact CG1-CG2 4.32Å; V156-I255 HydrophobicContact CG2-CD1 4.05Å; W158-I255 PolarHBondContact NE1-O 2.98Å; M206-I255 HydrophobicContact CE-CG2 4.23Å; C240-I255 VanDerWaalsContact CB-O 3.28Å; C240-I255 WeakPolarHBondContact CB-O 3.27Å
256P97.3Very high94.2Very high0 Ų038.2 Ų38.20%019%0.194CC..PPolyproline II helixtrans-71.9140.4-171.228.7-35.6000112.5R159 V201 P207 L209 F254 F261R159-P256 WeakPolarHBondContact CD-O 2.98Å; R159-P256 PolarHBondContact NH1-O 3.2Å; V201-P256 HydrophobicContact CB-CB 4.28Å; V201-P256 HydrophobicContact CG1-CB 4Å; V201-P256 HydrophobicContact CG1-CG 3.7Å; V201-P256 HydrophobicContact CG2-CB 3.84Å; V201-P256 HydrophobicContact CG2-CG 4.33Å; P207-P256 HydrophobicContact CG-CG 4.31Å; P207-P256 VanDerWaalsContact O-CD 3.27Å; P207-P256 WeakPolarHBondContact O-CD 3.22Å; L209-P256 HydrophobicContact CD1-CG 3.96Å; L209-P256 HydrophobicContact CD2-CB 4.42Å; L209-P256 HydrophobicContact CD2-CG 3.93Å; L209-P256 HydrophobicContact CG-CG 4.46Å; F254-P256 HydrophobicContact CD2-CB 4.05Å; F254-P256 HydrophobicContact CE2-CB 3.99Å; P256-F261 HydrophobicContact CB-CE1 3.77Å; P256-F261 HydrophobicContact CB-CZ 3.72Å
257P96.2Very high94.3Very high4 Ų442 Ų423%0.02621%0.208CC..PPolyproline II helixtrans-51.5155.9158.1-20.530.2000111.3W158 H238 F261W158-P257 HydrophobicContact CB-CG 4.11Å; W158-P257 HydrophobicContact CG-CG 4.06Å; W158-P257 WeakPolarHBondContact O-CA 3.41Å; H238-P257 VanDerWaalsContact CE1-CG 3.49Å; H238-P257 WeakPolarHBondContact CE1-CG 3.36Å; P257-F261 HydrophobicContact CB-CD1 4.11Å; P257-F261 HydrophobicContact CB-CG 4.27Å; P257-F261 HydrophobicContact CG-CB 4.4Å; P257-F261 HydrophobicContact CG-CD1 4.15Å; P257-F261 HydrophobicContact CG-CD2 4.07Å; P257-F261 HydrophobicContact CG-CE1 4.46Å; P257-F261 HydrophobicContact CG-CE2 4.4Å; P257-F261 HydrophobicContact CG-CG 3.95Å
258D95.6Very high94.3Very high31 Ų3135.3 Ų35.317%0.16618%0.177CC..SBendtrans-80144.7176.2-154.460.2000111.9K129 R159 I163 Y165K129-D258 WeakPolarHBondContact CD-O 3.39Å; K129-D258 WeakPolarHBondContact CE-O 3.38Å; K129-D258 PolarHBondContact NZ-O 2.8Å; R159-D258 IonicContact CZ-OD1 3.83Å; R159-D258 IonicContact NH1-OD1 3.77Å; R159-D258 PolarHBondContact NH1-OD1 2.9Å; R159-D258 IonicContact NH2-OD1 3.9Å; I163-D258 HydrophobicContact CD1-CB 3.69Å; Y165-D258 WeakPolarHBondContact CE2-OD1 3.49Å; Y165-D258 PolarHBondContact OH-OD2 3.42Å
259G95.4Very high94.2Very high13 Ų1334.2 Ų34.213%0.13418%0.175CC..EExtended strand (participates in β ladder)trans75.3-144.7-178.300000113.7R200 V201R200-G259 CarbonylContact C-O 3.54Å; R200-G259 WeakPolarHBondContact CA-O 3.3Å; V201-G259 PolarHBondContact N-O 3.07Å; V201-G259 PolarHBondContact O-N 3.28Å
260E95.5Very high93.9Very high110 Ų11033.1 Ų33.151%0.51417%0.172SC..EExtended strand (participates in β ladder)trans-85.2133.2-175.5-171.2166.7168.600112.6K129 M199 R200K129-E260 PolarHBondContact NZ-O 2.8Å; M199-E260 CarbonylContact O-C 3.52Å; M199-E260 VanDerWaalsContact O-CA 3.28Å; M199-E260 WeakPolarHBondContact O-CA 3.29Å; R200-E260 HydrophobicContact CG-CB 4.04Å; R200-E260 HydrophobicContact CG-CG 3.98Å
261F96.6Very high93.3Very high20 Ų2038 Ų389%0.08820%0.201CC..EExtended strand (participates in β ladder)trans-158.3159.6170.471.2-78000111.2M199 V201 F254 P256 P257 L263M199-F261 HydrophobicContact CB-CD1 4.24Å; M199-F261 HydrophobicContact CB-CE1 3.72Å; M199-F261 HydrophobicContact CB-CZ 3.88Å; M199-F261 HydrophobicContact CG-CZ 4.31Å; M199-F261 PolarHBondContact N-O 2.87Å; M199-F261 PolarHBondContact O-N 3.18Å; M199-F261 HydrophobicContact SD-CZ 3.91Å; V201-F261 HydrophobicContact CB-CE1 4.45Å; V201-F261 HydrophobicContact CG2-CE1 3.66Å; V201-F261 HydrophobicContact CG2-CZ 4.42Å; F254-F261 HydrophobicContact CE2-CZ 4.27Å; P256-F261 HydrophobicContact CB-CE1 3.77Å; P256-F261 HydrophobicContact CB-CZ 3.72Å; P257-F261 HydrophobicContact CB-CD1 4.11Å; P257-F261 HydrophobicContact CB-CG 4.27Å; P257-F261 HydrophobicContact CG-CB 4.4Å; P257-F261 HydrophobicContact CG-CD1 4.15Å; P257-F261 HydrophobicContact CG-CD2 4.07Å; P257-F261 HydrophobicContact CG-CE1 4.46Å; P257-F261 HydrophobicContact CG-CE2 4.4Å; P257-F261 HydrophobicContact CG-CG 3.95Å; F261-L263 HydrophobicContact CE2-CB 3.88Å; F261-L263 HydrophobicContact CE2-CD1 3.99Å
262E97.3Very high92.8Very high84 Ų8438.1 Ų38.139%0.39320%0.202SC..EExtended strand (participates in β ladder)trans-87.2116.3169.9179.2168.3-170.800110.2S196 H238 S265S196-E262 WeakPolarHBondContact CB-OE1 3.14Å; S196-E262 WeakPolarHBondContact OG-CG 3.44Å; S196-E262 PolarHBondContact OG-OE1 2.92Å; H238-E262 WeakPolarHBondContact CB-O 3.4Å; E262-S265 WeakPolarHBondContact OE1-CB 3.43Å
263L97.9Very high92.3Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-75.8-45.4179.9173.268.2000111.8V197 M199 L211 H238 V241 I252 F254 F261V197-L263 PolarHBondContact O-N 2.83Å; M199-L263 HydrophobicContact CG-CB 4Å; M199-L263 HydrophobicContact SD-CB 3.85Å; M199-L263 HydrophobicContact SD-CD1 4.43Å; M199-L263 HydrophobicContact SD-CD2 3.6Å; M199-L263 HydrophobicContact SD-CG 4.14Å; L211-L263 HydrophobicContact CD2-CD2 3.6Å; H238-L263 WeakPolarHBondContact CB-O 3.19Å; H238-L263 PolarHBondContact N-O 2.93Å; V241-L263 HydrophobicContact CG2-CD1 3.63Å; I252-L263 HydrophobicContact CG2-CD2 4.43Å; F254-L263 HydrophobicContact CD1-CD1 3.86Å; F254-L263 HydrophobicContact CD1-CD2 4.48Å; F254-L263 HydrophobicContact CD2-CD1 3.77Å; F254-L263 HydrophobicContact CE1-CD1 3.84Å; F254-L263 HydrophobicContact CE1-CD2 3.72Å; F254-L263 HydrophobicContact CE1-CG 4.45Å; F254-L263 HydrophobicContact CE2-CD1 3.74Å; F254-L263 HydrophobicContact CE2-CD2 4.34Å; F254-L263 HydrophobicContact CG-CD1 3.84Å; F254-L263 HydrophobicContact CZ-CD1 3.78Å; F254-L263 HydrophobicContact CZ-CD2 3.63Å; F254-L263 HydrophobicContact CZ-CG 4.35Å; F261-L263 HydrophobicContact CE2-CB 3.88Å; F261-L263 HydrophobicContact CE2-CD1 3.99Å
264M96.8Very high92Very high3 Ų346.2 Ų46.22%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-154.5148-17759.9179.3-71.800111.3V197 L211 L213 V235 K236 F237 I252 Y266V197-M264 HydrophobicContact CB-CG 3.66Å; V197-M264 HydrophobicContact CG2-CG 3.66Å; V197-M264 HydrophobicContact CG2-SD 4.08Å; V197-M264 PolarHBondContact N-O 2.97Å; L211-M264 HydrophobicContact CD2-SD 4.3Å; L213-M264 HydrophobicContact CD1-CE 3.89Å; L213-M264 HydrophobicContact CD1-SD 3.83Å; V235-M264 HydrophobicContact CG1-CB 4.48Å; V235-M264 HydrophobicContact CG1-CE 3.65Å; K236-M264 CarbonylContact O-C 3.52Å; K236-M264 WeakPolarHBondContact O-CA 2.81Å; F237-M264 HydrophobicContact CD1-CB 3.67Å; F237-M264 HydrophobicContact CE1-CB 3.92Å; F237-M264 HydrophobicContact CE1-CE 4.28Å; F237-M264 HydrophobicContact CE1-SD 3.99Å; I252-M264 HydrophobicContact CD1-SD 3.91Å; M264-Y266 HydrophobicContact CE-CD1 4.1Å
265S96.6Very high91.9Very high33 Ų3346.5 Ų46.523%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-115.3147.4164.460.80000109G195 V235 K236 E262G195-S265 CarbonylContact O-C 3.52Å; G195-S265 VanDerWaalsContact O-CA 3.26Å; G195-S265 WeakPolarHBondContact O-CA 3.42Å; V235-S265 CarbonylContact C-O 3.59Å; V235-S265 WeakPolarHBondContact CA-O 3.27Å; K236-S265 WeakPolarHBondContact CB-OG 3.34Å; K236-S265 PolarHBondContact N-O 3.2Å; K236-S265 PolarHBondContact O-N 3.2Å; E262-S265 WeakPolarHBondContact OE1-CB 3.43Å
266Y94.6Very high91.8Very high5 Ų545.4 Ų45.42%0.0223%0.234CC..EExtended strand (participates in β ladder)trans-139.1149.1177.261.3-89.5000110.5E176 G195 V197 F232 D234 M264 L268 I389E176-Y266 VanDerWaalsContact CG-OH 3.26Å; E176-Y266 WeakPolarHBondContact CG-OH 3.4Å; E176-Y266 PolarHBondContact OE1-OH 3.48Å; G195-Y266 VanDerWaalsContact CA-CZ 3.49Å; G195-Y266 PolarHBondContact N-O 2.89Å; G195-Y266 PolarHBondContact O-N 3.5Å; V197-Y266 HydrophobicContact CG2-CE1 4.2Å; F232-Y266 AromaticContact CD1-CD2 3.85Å; F232-Y266 HydrophobicContact CD1-CD2 3.85Å; F232-Y266 AromaticContact CD1-CG 3.98Å; F232-Y266 HydrophobicContact CD1-CG 3.98Å; F232-Y266 AromaticContact CE1-CD2 3.8Å; F232-Y266 HydrophobicContact CE1-CD2 3.8Å; F232-Y266 HydrophobicContact CE1-CE2 4.05Å; F232-Y266 HydrophobicContact CE1-CG 4.08Å; D234-Y266 CarbonylContact O-C 3.52Å; D234-Y266 VanDerWaalsContact O-CA 3.29Å; D234-Y266 WeakPolarHBondContact O-CA 3.43Å; M264-Y266 HydrophobicContact CE-CD1 4.1Å; Y266-L268 HydrophobicContact CD2-CD1 3.98Å; Y266-L268 HydrophobicContact CD2-CG 4.09Å; Y266-L268 HydrophobicContact CE2-CD1 3.87Å; Y266-L268 HydrophobicContact CE2-CG 4.46Å; Y266-I389 HydrophobicContact CD1-CD1 4.43Å; Y266-I389 HydrophobicContact CE1-CD1 3.65Å; Y266-I389 HydrophobicContact CE2-CD1 4.43Å; Y266-I389 WeakPolarHBondContact OH-CG2 3.26Å
267R93.7Very high91.7Very high101 Ų10146.9 Ų46.938%0.38124%0.24SC..EExtended strand (participates in β ladder)trans-122.8133.7176-174.9-174.7-72.8137.6-13.9110.4I193 P233 D234I193-R267 WeakPolarHBondContact O-CA 3.12Å; P233-R267 WeakPolarHBondContact CD-O 3.24Å; P233-R267 WeakPolarHBondContact CG-O 3.19Å; D234-R267 HydrophobicContact CB-CB 4.3Å; D234-R267 PolarHBondContact O-N 2.86Å; D234-R267 IonicContact OD2-NH1 2.72Å; D234-R267 PolarHBondContact OD2-NH1 3.21Å
268L90.4Very high91.6Very high11 Ų1147 Ų476%0.05824%0.24CC..EExtended strand (participates in β ladder)trans-127.2113.8176.6-59.6164.7000109.3E192 I193 L230 F231 F232 Y266 T270E192-L268 WeakPolarHBondContact CA-O 3.42Å; I193-L268 HydrophobicContact CB-CB 4.29Å; I193-L268 PolarHBondContact N-O 2.77Å; I193-L268 PolarHBondContact O-N 2.95Å; L230-L268 HydrophobicContact CD2-CD1 3.93Å; F231-L268 WeakPolarHBondContact O-CD2 3.42Å; F232-L268 HydrophobicContact CD1-CD2 4.11Å; F232-L268 HydrophobicContact CE1-CD1 4.44Å; Y266-L268 HydrophobicContact CD2-CD1 3.98Å; Y266-L268 HydrophobicContact CD2-CG 4.09Å; Y266-L268 HydrophobicContact CE2-CD1 3.87Å; Y266-L268 HydrophobicContact CE2-CG 4.46Å; L268-T270 HydrophobicContact CB-CG2 4.43Å; L268-T270 PolarHBondContact O-N 2.89Å
269T86.3Confident91.6Very high116 Ų11649.1 Ų49.171%0.71225%0.249SC*.EExtended strand (participates in β ladder)trans-83.8103.1169.2-49.30000108
270T77.9Confident91.5Very high62 Ų6250.3 Ų50.338%0.3826%0.255SS..  trans-141.9140.2-178.81780000110.1S191 I193 L268 V272S191-T270 WeakPolarHBondContact CB-O 3.4Å; S191-T270 PolarHBondContact OG-O 2.92Å; I193-T270 HydrophobicContact CD1-CG2 3.51Å; I193-T270 HydrophobicContact CG1-CG2 4.05Å; L268-T270 HydrophobicContact CB-CG2 4.43Å; L268-T270 PolarHBondContact O-N 2.89Å; T270-V272 HydrophobicContact CG2-CG2 3.58Å; T270-V272 PolarHBondContact O-N 3.25Å
271N75.6Confident91.4Very high150 Ų15048.9 Ų48.980%0.80225%0.254SS*.  trans-76.778.6177.1-72-23.1000109.6
272V77.9Confident91.2Very high29 Ų2950.3 Ų50.318%0.17626%0.262CS..PPolyproline II helixtrans-77.5138.6173.3-163.70000109.2I193 T270 V386I193-V272 HydrophobicContact CD1-CG2 3.89Å; I193-V272 HydrophobicContact CG1-CG2 4.16Å; T270-V272 HydrophobicContact CG2-CG2 3.58Å; T270-V272 PolarHBondContact O-N 3.25Å; V272-V386 HydrophobicContact CB-CG1 4.01Å; V272-V386 HydrophobicContact CG1-CG1 3.23Å; V272-V386 HydrophobicContact CG2-CG1 3.58Å
273K84.8Confident91Very high161 Ų16150.8 Ų50.870%0.726%0.264SS*.PPolyproline II helixtrans-58.5130.8163.5-68.3-173.6179.5-176.60109.6L275K273-L275 PolarHBondContact O-N 2.7Å; K273-L275 VanDerWaalsContact O-N 3.12Å
274P90.8Very high90.7Very high14 Ų1455.9 Ų55.99%0.09129%0.29CS..PPolyproline II helixtrans-53.5116.5178.6-29.437.3000112.4L180 V188 V276 W277 Q299 Y417L180-P274 HydrophobicContact CD1-CG 4.19Å; L180-P274 HydrophobicContact CD2-CB 3.69Å; L180-P274 HydrophobicContact CD2-CG 3.78Å; V188-P274 HydrophobicContact CG2-CG 3.98Å; P274-V276 VanDerWaalsContact C-N 3.32Å; P274-V276 PolarHBondContact O-N 3.23Å; P274-W277 HydrophobicContact CB-CB 4.37Å; P274-W277 HydrophobicContact CB-CD2 4.43Å; P274-W277 HydrophobicContact CB-CE3 3.55Å; P274-W277 HydrophobicContact CB-CZ3 4.22Å; P274-W277 HydrophobicContact CG-CE3 3.53Å; P274-W277 HydrophobicContact CG-CZ3 3.76Å; P274-Q299 VanDerWaalsContact O-CB 3.3Å; P274-Q299 WeakPolarHBondContact O-CB 3.49Å; P274-Q299 WeakPolarHBondContact O-CG 3.24Å; P274-Q299 PolarHBondContact O-OE1 3.28Å; P274-Y417 WeakPolarHBondContact CA-OH 2.98Å; P274-Y417 WeakPolarHBondContact CB-OH 3.48Å
275L94.8Very high90.4Very high7 Ų759.4 Ų59.44%0.03731%0.307CS..SBendtrans-59.4-41-178.4-59.8176.7000112.7V178 K273 S298 Q299 F300 F379 I381 F384 V386 T412 Y417V178-L275 HydrophobicContact CG2-CD1 4.02Å; K273-L275 PolarHBondContact O-N 2.7Å; K273-L275 VanDerWaalsContact O-N 3.12Å; L275-S298 CarbonylContact O-C 3.54Å; L275-S298 WeakPolarHBondContact O-CA 3.37Å; L275-Q299 PolarHBondContact O-N 3.03Å; L275-F300 HydrophobicContact CB-CD1 4.04Å; L275-F300 HydrophobicContact CD2-CB 4.16Å; L275-F300 WeakPolarHBondContact O-CD1 3.16Å; L275-F300 WeakPolarHBondContact O-CE1 3.31Å; L275-F379 HydrophobicContact CB-CE2 4.48Å; L275-F379 HydrophobicContact CB-CZ 4.38Å; L275-F379 HydrophobicContact CD1-CE2 3.78Å; L275-F379 HydrophobicContact CD1-CZ 4.01Å; L275-I381 HydrophobicContact CB-CD1 4.49Å; L275-I381 HydrophobicContact CD1-CD1 4.12Å; L275-F384 HydrophobicContact CD1-CE1 4.44Å; L275-F384 HydrophobicContact CD2-CE1 3.93Å; L275-F384 HydrophobicContact CD2-CZ 4.35Å; L275-V386 HydrophobicContact CD1-CG2 3.7Å; L275-V386 HydrophobicContact CD2-CG2 4.37Å; L275-V386 HydrophobicContact CG-CG2 4.48Å; L275-T412 HydrophobicContact CD1-CG2 3.62Å; L275-Y417 PolarHBondContact N-OH 3.29Å
276V95.6Very high89.9Confident0 Ų066.9 Ų66.90%033%0.33CS..EExtended strand (participates in β ladder)trans-124.399.9175-178.50000108P274 I278 K297 F300 V309 F347 V377 F379 Y417P274-V276 VanDerWaalsContact C-N 3.32Å; P274-V276 PolarHBondContact O-N 3.23Å; V276-I278 HydrophobicContact CG1-CD1 4.02Å; V276-K297 CarbonylContact C-O 3.58Å; V276-F300 HydrophobicContact CG2-CE1 4.17Å; V276-V309 HydrophobicContact CG1-CG1 4.42Å; V276-F347 HydrophobicContact CG1-CE1 4.18Å; V276-V377 HydrophobicContact CB-CG1 4.24Å; V276-V377 HydrophobicContact CG1-CG1 3.93Å; V276-F379 HydrophobicContact CB-CD1 4.46Å; V276-F379 HydrophobicContact CG2-CB 4.41Å; V276-F379 HydrophobicContact CG2-CD1 4.09Å; V276-F379 HydrophobicContact CG2-CG 4.15Å; V276-Y417 PolarHBondContact N-OH 3.33Å; V276-Y417 VanDerWaalsContact O-CE1 3.28Å; V276-Y417 WeakPolarHBondContact O-CE1 3.49Å; V276-Y417 PolarHBondContact O-OH 2.58Å
277W95.3Very high89.5Confident30 Ų3070.9 Ų70.911%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-91.9130.4-178.4-175.3-111.7000111.2A182 G186 P274 E279 A296 K297 Q299 L419A182-W277 HydrophobicContact CB-CH2 3.85Å; A182-W277 HydrophobicContact CB-CZ3 3.82Å; G186-W277 WeakPolarHBondContact O-CH2 3.35Å; P274-W277 HydrophobicContact CB-CB 4.37Å; P274-W277 HydrophobicContact CB-CD2 4.43Å; P274-W277 HydrophobicContact CB-CE3 3.55Å; P274-W277 HydrophobicContact CB-CZ3 4.22Å; P274-W277 HydrophobicContact CG-CE3 3.53Å; P274-W277 HydrophobicContact CG-CZ3 3.76Å; W277-E279 PolarHBondContact NE1-OE1 3.48Å; W277-A296 CarbonylContact O-C 3.45Å; W277-A296 WeakPolarHBondContact O-CA 3.3Å; W277-K297 HydrophobicContact CB-CB 4.36Å; W277-K297 PolarHBondContact N-O 2.86Å; W277-K297 PolarHBondContact O-N 3.48Å; W277-Q299 HydrophobicContact CB-CG 4.36Å; W277-L419 HydrophobicContact CD2-CD2 4.32Å; W277-L419 HydrophobicContact CE3-CD2 3.64Å; W277-L419 HydrophobicContact CH2-CD2 4.19Å; W277-L419 HydrophobicContact CZ3-CD2 3.57Å
278I95.5Very high89.4Confident8 Ų869.4 Ų69.44%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-112.3122179.1-50.9-57.5000109.1V276 I294 A296 I311 I375 V377 L419V276-I278 HydrophobicContact CG1-CD1 4.02Å; I278-I294 HydrophobicContact CG2-CG2 3.57Å; I278-A296 HydrophobicContact CD1-CB 3.65Å; I278-I311 HydrophobicContact CD1-CD1 3.66Å; I278-I311 HydrophobicContact CD1-CG1 4.05Å; I278-I311 HydrophobicContact CD1-CG2 3.95Å; I278-I311 HydrophobicContact CG1-CG2 4.1Å; I278-I311 HydrophobicContact CG2-CG2 4.47Å; I278-I375 HydrophobicContact CG2-CD1 3.9Å; I278-I375 HydrophobicContact CG2-CG2 4.4Å; I278-V377 HydrophobicContact CD1-CG2 4.33Å; I278-V377 HydrophobicContact CG1-CG2 3.7Å; I278-L419 HydrophobicContact CB-CD1 4.24Å; I278-L419 HydrophobicContact CB-CD2 4.19Å; I278-L419 HydrophobicContact CG1-CD1 4.04Å
279E93.9Very high89.6Confident74 Ų7473.1 Ų73.135%0.34637%0.367SS..EExtended strand (participates in β ladder)trans-104.2120.4168.7-66.5168.617900107.6W277 I294 K295 K297W277-E279 PolarHBondContact NE1-OE1 3.48Å; E279-I294 CarbonylContact O-C 3.49Å; E279-I294 WeakPolarHBondContact O-CA 3.44Å; E279-K295 HydrophobicContact CB-CB 4.25Å; E279-K295 PolarHBondContact N-O 3.01Å; E279-K295 PolarHBondContact O-N 3.41Å; E279-K297 WeakPolarHBondContact OE1-CE 3.43Å; E279-K297 IonicContact OE1-NZ 3.14Å; E279-K297 PolarHBondContact OE1-NZ 3.42Å; E279-K297 WeakPolarHBondContact OE2-CE 3.43Å; E279-K297 IonicContact OE2-NZ 3.37Å; E279-K297 PolarHBondContact OE2-NZ 3.46Å
280S93.1Very high90Very high38 Ų3867.7 Ų67.727%0.26633%0.334SS..EExtended strand (participates in β ladder)trans-118.7126.3179.3600000110.5
281V93.5Very high90.8Very high81 Ų8167.6 Ų67.649%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-111.2126.6165.9-178.30000107.5M293V281-M293 HydrophobicContact CB-CB 4.42Å; V281-M293 PolarHBondContact N-O 3.41Å; V281-M293 PolarHBondContact O-N 3.46Å
282I92.8Very high91.8Very high50 Ų5060.9 Ų60.926%0.25629%0.292SS..EExtended strand (participates in β ladder)trans-118.5123.4-179.7-55.8-178000108.3I284 I290 E291 Y292 I421I282-I284 HydrophobicContact CG2-CD1 4.34Å; I282-I284 HydrophobicContact CG2-CG1 3.81Å; I282-I290 HydrophobicContact CG2-CD1 3.73Å; I282-I290 HydrophobicContact CG2-CG1 3.81Å; I282-E291 WeakPolarHBondContact CA-O 3.36Å; I282-Y292 HydrophobicContact CD1-CD1 3.87Å; I282-Y292 HydrophobicContact CD1-CE1 3.5Å; I282-Y292 VanDerWaalsContact CD1-CE1 3.5Å; I282-Y292 HydrophobicContact CG1-CD1 3.74Å; I282-Y292 HydrophobicContact CG1-CE1 3.86Å; I282-Y292 HydrophobicContact CG2-CD1 4.48Å; I282-Y292 HydrophobicContact CG2-CE1 4.22Å; I282-I421 HydrophobicContact CD1-CD1 4.38Å; I282-I421 HydrophobicContact CD1-CG2 3.2Å; I282-I421 HydrophobicContact CG1-CG2 4.26Å
283E93.6Very high92.7Very high94 Ų9463.2 Ų63.244%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-111.4108.4176.7-66.8178.7-162.600108.4I290 E291E283-I290 WeakPolarHBondContact O-CA 3.4Å; E283-E291 HydrophobicContact CB-CB 4.42Å; E283-E291 PolarHBondContact N-O 3.04Å; E283-E291 PolarHBondContact O-N 3.38Å
284I90.5Very high93.3Very high106 Ų10655.5 Ų55.554%0.54427%0.269SS..EExtended strand (participates in β ladder)trans-99.3116.3-178.7-50.7-177.2000108.9I282 I290 L361I282-I284 HydrophobicContact CG2-CD1 4.34Å; I282-I284 HydrophobicContact CG2-CG1 3.81Å; I284-I290 HydrophobicContact CD1-CD1 4.15Å; I284-I290 HydrophobicContact CG1-CD1 3.78Å; I284-I290 HydrophobicContact CG1-CG1 4.04Å; I284-L361 HydrophobicContact CG2-CD1 4.1Å
285H91.3Very high93.5Very high77 Ų7757.6 Ų57.636%0.35628%0.276SS..EExtended strand (participates in β ladder)trans-100.596.3167.9-61.5-88.1000108.3H287 S288 R289H285-H287 PolarHBondContact O-N 2.86Å; H285-S288 PolarHBondContact O-N 2.95Å; H285-R289 CarbonylContact C-O 3.52Å; H285-R289 WeakPolarHBondContact CA-O 3.35Å; H285-R289 HydrophobicContact CB-CG 3.89Å; H285-R289 WeakPolarHBondContact CB-O 3.4Å; H285-R289 PolarHBondContact N-O 2.94Å; H285-R289 PolarHBondContact O-N 2.99Å; H285-R289 VanDerWaalsContact O-O 3.07Å
286R85.4Confident93.7Very high191 Ų19157.2 Ų57.272%0.72127%0.274SS*.THydrogen-bonded Turntrans-49.1137-178-62-168.8-176.5-162.92110.8S288R286-S288 PolarHBondContact O-N 3.18Å
287H86.8Confident93.7Very high88 Ų8859 Ų5941%0.40728%0.282SS..THydrogen-bonded Turntrans63.816.9179.6-45.695.6000115.8H285 P362 S363 E365H285-H287 PolarHBondContact O-N 2.86Å; H287-P362 WeakPolarHBondContact CA-O 3.41Å; H287-S363 PolarHBondContact CD2-O 2.8Å; H287-S363 VanDerWaalsContact CD2-O 3.29Å; H287-E365 IonicContact CE1-OE1 3.33Å; H287-E365 PolarHBondContact CE1-OE1 3.34Å; H287-E365 VanDerWaalsContact CE1-OE1 3.24Å; H287-E365 WeakPolarHBondContact NE2-CG 3.39Å; H287-E365 IonicContact NE2-OE1 2.85Å; H287-E365 PolarHBondContact NE2-OE1 3.16Å
288S92.6Very high93.8Very high70 Ų7057.8 Ų57.849%0.4928%0.278SS..THydrogen-bonded Turntrans-141.5-64.4-176.5179.40000113.2H285 R286 L361H285-S288 PolarHBondContact O-N 2.95Å; R286-S288 PolarHBondContact O-N 3.18Å; S288-L361 PolarHBondContact O-N 2.89Å
289R93.1Very high93.8Very high90 Ų9061.2 Ų61.234%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-163.4162.7-171.261.1177.4-179.9175.610.4112.4H285 E291 H358 F359H285-R289 CarbonylContact C-O 3.52Å; H285-R289 WeakPolarHBondContact CA-O 3.35Å; H285-R289 HydrophobicContact CB-CG 3.89Å; H285-R289 WeakPolarHBondContact CB-O 3.4Å; H285-R289 PolarHBondContact N-O 2.94Å; H285-R289 PolarHBondContact O-N 2.99Å; H285-R289 VanDerWaalsContact O-O 3.07Å; R289-E291 IonicContact CZ-OE1 3.08Å; R289-E291 IonicContact NE-OE1 3.44Å; R289-E291 PolarHBondContact NE-OE1 3.17Å; R289-E291 IonicContact NH1-OE1 3.12Å; R289-E291 PolarHBondContact NH1-OE1 3.39Å; R289-E291 VanDerWaalsContact NH1-OE1 3.12Å; R289-E291 IonicContact NH2-OE1 3.44Å; R289-E291 PolarHBondContact NH2-OE1 2.91Å; R289-H358 WeakPolarHBondContact CD-NE2 3.31Å; R289-F359 CarbonylContact C-O 3.57Å; R289-F359 WeakPolarHBondContact CA-O 3.39Å; R289-F359 VanDerWaalsContact CB-O 3.24Å; R289-F359 WeakPolarHBondContact CB-O 3.36Å
290I94.6Very high93.8Very high2 Ų258.5 Ų58.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-131.7131.7171.6-175.3167.6000109.5I282 E283 I284 Y292 P316 H358 F359 L361I282-I290 HydrophobicContact CG2-CD1 3.73Å; I282-I290 HydrophobicContact CG2-CG1 3.81Å; E283-I290 WeakPolarHBondContact O-CA 3.4Å; I284-I290 HydrophobicContact CD1-CD1 4.15Å; I284-I290 HydrophobicContact CG1-CD1 3.78Å; I284-I290 HydrophobicContact CG1-CG1 4.04Å; I290-Y292 HydrophobicContact CB-CE2 4.37Å; I290-Y292 HydrophobicContact CD1-CE2 3.8Å; I290-Y292 VanDerWaalsContact CD1-OH 3.27Å; I290-Y292 WeakPolarHBondContact CD1-OH 3.46Å; I290-Y292 HydrophobicContact CG1-CD2 4.3Å; I290-Y292 HydrophobicContact CG1-CE2 3.63Å; I290-Y292 HydrophobicContact CG2-CE2 3.95Å; I290-P316 HydrophobicContact CD1-CG 4.08Å; I290-H358 WeakPolarHBondContact O-CA 3.27Å; I290-F359 HydrophobicContact CG2-CB 3.67Å; I290-F359 PolarHBondContact N-O 2.76Å; I290-F359 PolarHBondContact O-N 2.66Å; I290-L361 HydrophobicContact CB-CD1 4.12Å; I290-L361 HydrophobicContact CB-CG 4.34Å; I290-L361 HydrophobicContact CG2-CD1 4.46Å; I290-L361 HydrophobicContact CG2-CD2 4.1Å; I290-L361 HydrophobicContact CG2-CG 4.17Å
291E96.3Very high93.8Very high60 Ų6062.3 Ų62.328%0.2829%0.293SS..EExtended strand (participates in β ladder)trans-115.7132.5179.8-61.3-169-17300110.2I282 E283 R289 A357 H358I282-E291 WeakPolarHBondContact CA-O 3.36Å; E283-E291 HydrophobicContact CB-CB 4.42Å; E283-E291 PolarHBondContact N-O 3.04Å; E283-E291 PolarHBondContact O-N 3.38Å; R289-E291 IonicContact CZ-OE1 3.08Å; R289-E291 IonicContact NE-OE1 3.44Å; R289-E291 PolarHBondContact NE-OE1 3.17Å; R289-E291 IonicContact NH1-OE1 3.12Å; R289-E291 PolarHBondContact NH1-OE1 3.39Å; R289-E291 VanDerWaalsContact NH1-OE1 3.12Å; R289-E291 IonicContact NH2-OE1 3.44Å; R289-E291 PolarHBondContact NH2-OE1 2.91Å; E291-A357 CarbonylContact C-O 3.57Å; E291-A357 WeakPolarHBondContact CA-O 3.4Å; E291-H358 IonicContact OE1-CD2 3.59Å
292Y96.5Very high93.9Very high9 Ų968.4 Ų68.44%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-113.7127177.1-65-102000109.2I282 I290 I294 I313 P314 V315 P316 F340 R356 A357 F359I282-Y292 HydrophobicContact CD1-CD1 3.87Å; I282-Y292 HydrophobicContact CD1-CE1 3.5Å; I282-Y292 VanDerWaalsContact CD1-CE1 3.5Å; I282-Y292 HydrophobicContact CG1-CD1 3.74Å; I282-Y292 HydrophobicContact CG1-CE1 3.86Å; I282-Y292 HydrophobicContact CG2-CD1 4.48Å; I282-Y292 HydrophobicContact CG2-CE1 4.22Å; I290-Y292 HydrophobicContact CB-CE2 4.37Å; I290-Y292 HydrophobicContact CD1-CE2 3.8Å; I290-Y292 VanDerWaalsContact CD1-OH 3.27Å; I290-Y292 WeakPolarHBondContact CD1-OH 3.46Å; I290-Y292 HydrophobicContact CG1-CD2 4.3Å; I290-Y292 HydrophobicContact CG1-CE2 3.63Å; I290-Y292 HydrophobicContact CG2-CE2 3.95Å; Y292-I294 HydrophobicContact CD1-CD1 4.47Å; Y292-I313 HydrophobicContact CD1-CG2 3.92Å; Y292-I313 HydrophobicContact CE1-CG2 3.9Å; Y292-P314 PolarHBondContact OH-O 3.31Å; Y292-V315 HydrophobicContact CE2-CG1 3.93Å; Y292-V315 WeakPolarHBondContact OH-CA 3.42Å; Y292-P316 WeakPolarHBondContact OH-CD 3.23Å; Y292-F340 HydrophobicContact CD1-CE1 4.3Å; Y292-F340 HydrophobicContact CD1-CZ 4.4Å; Y292-F340 HydrophobicContact CD2-CE1 4.22Å; Y292-F340 HydrophobicContact CE1-CE1 4.5Å; Y292-F340 HydrophobicContact CE2-CE1 4.44Å; Y292-F340 HydrophobicContact CG-CE1 4.17Å; Y292-F340 HydrophobicContact CG-CZ 4.26Å; Y292-R356 CarbonylContact O-C 3.6Å; Y292-R356 VanDerWaalsContact O-CA 3.24Å; Y292-R356 WeakPolarHBondContact O-CA 3.45Å; Y292-A357 HydrophobicContact CD2-CB 4.3Å; Y292-A357 PolarHBondContact N-O 3.23Å; Y292-A357 PolarHBondContact O-N 2.67Å; Y292-F359 HydrophobicContact CD2-CD2 4.26Å; Y292-F359 HydrophobicContact CD2-CE2 4.49Å; Y292-F359 HydrophobicContact CE2-CD2 4.13Å; Y292-F359 HydrophobicContact CE2-CE2 4.46Å
293M96.2Very high94Very high77 Ų7775.7 Ų75.738%0.37933%0.331SS..EExtended strand (participates in β ladder)trans-114.8105.7167.1-166.8177.4-46.300108.9V281 R356V281-M293 HydrophobicContact CB-CB 4.42Å; V281-M293 PolarHBondContact N-O 3.41Å; V281-M293 PolarHBondContact O-N 3.46Å; M293-R356 HydrophobicContact CG-CG 4.36Å
294I96.5Very high94.2Very high0 Ų071.9 Ų71.90%032%0.315CS..EExtended strand (participates in β ladder)trans-108.9128.1-176.7-49.6-60.7000109.7I278 E279 Y292 I313 W342 L354 M355I278-I294 HydrophobicContact CG2-CG2 3.57Å; E279-I294 CarbonylContact O-C 3.49Å; E279-I294 WeakPolarHBondContact O-CA 3.44Å; Y292-I294 HydrophobicContact CD1-CD1 4.47Å; I294-I313 HydrophobicContact CD1-CG1 4.31Å; I294-I313 HydrophobicContact CG1-CG1 4.31Å; I294-W342 HydrophobicContact CG2-CE3 4.35Å; I294-W342 HydrophobicContact CG2-CZ3 4.19Å; I294-L354 WeakPolarHBondContact O-CA 3.16Å; I294-M355 HydrophobicContact CB-CE 3.71Å; I294-M355 HydrophobicContact CG1-CE 3.35Å; I294-M355 PolarHBondContact N-O 2.85Å; I294-M355 PolarHBondContact O-N 3.27Å
295K96.6Very high94.5Very high57 Ų5769 Ų6925%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-116.5117172.4-176.3175.9-176.5-177.80109.5E279 K297 E352 Y353 L354E279-K295 HydrophobicContact CB-CB 4.25Å; E279-K295 PolarHBondContact N-O 3.01Å; E279-K295 PolarHBondContact O-N 3.41Å; K295-K297 HydrophobicContact CG-CG 4.31Å; K295-E352 WeakPolarHBondContact CE-OE2 3.31Å; K295-E352 IonicContact NZ-OE1 3.83Å; K295-E352 IonicContact NZ-OE2 2.68Å; K295-E352 PolarHBondContact NZ-OE2 2.91Å; K295-Y353 WeakPolarHBondContact CA-O 3.45Å; K295-L354 HydrophobicContact CB-CD2 3.59Å; K295-L354 HydrophobicContact CD-CD2 3.99Å; K295-L354 HydrophobicContact CG-CD2 3.64Å
296A97.4Very high94.8Very high0 Ų065.3 Ų65.30%029%0.285CS..EExtended strand (participates in β ladder)trans-99.2128.4174.500000110W277 I278 I311 W342 F347 E352 Y353W277-A296 CarbonylContact O-C 3.45Å; W277-A296 WeakPolarHBondContact O-CA 3.3Å; I278-A296 HydrophobicContact CD1-CB 3.65Å; A296-I311 HydrophobicContact CB-CD1 3.73Å; A296-W342 HydrophobicContact CB-CH2 3.91Å; A296-W342 HydrophobicContact CB-CZ3 3.64Å; A296-F347 HydrophobicContact CB-CE1 3.9Å; A296-F347 HydrophobicContact CB-CZ 4.11Å; A296-E352 CarbonylContact O-C 3.53Å; A296-E352 VanDerWaalsContact O-CA 3.28Å; A296-E352 WeakPolarHBondContact O-CA 3.24Å; A296-Y353 PolarHBondContact N-O 3.1Å; A296-Y353 PolarHBondContact O-N 3.17Å
297K96.8Very high95.4Very high36 Ų3658.6 Ų58.616%0.15726%0.264CS..EExtended strand (participates in β ladder)trans-121.7127.6178.9-55.9-178.9175.8165.10110.1V276 W277 E279 K295 E352V276-K297 CarbonylContact C-O 3.58Å; W277-K297 HydrophobicContact CB-CB 4.36Å; W277-K297 PolarHBondContact N-O 2.86Å; W277-K297 PolarHBondContact O-N 3.48Å; E279-K297 WeakPolarHBondContact OE1-CE 3.43Å; E279-K297 IonicContact OE1-NZ 3.14Å; E279-K297 PolarHBondContact OE1-NZ 3.42Å; E279-K297 WeakPolarHBondContact OE2-CE 3.43Å; E279-K297 IonicContact OE2-NZ 3.37Å; E279-K297 PolarHBondContact OE2-NZ 3.46Å; K295-K297 HydrophobicContact CG-CG 4.31Å; K297-E352 HydrophobicContact CB-CG 4.25Å; K297-E352 HydrophobicContact CD-CG 4.46Å; K297-E352 WeakPolarHBondContact CD-OE1 3.49Å; K297-E352 WeakPolarHBondContact CE-OE1 3.46Å; K297-E352 HydrophobicContact CG-CB 4.34Å; K297-E352 HydrophobicContact CG-CG 3.84Å; K297-E352 WeakPolarHBondContact CG-OE1 3.31Å
298S97.1Very high95.9Very high5 Ų559.3 Ų59.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-91.5115.8173.151.50000110.8L275 F300 F347 P348 G350 K351L275-S298 CarbonylContact O-C 3.54Å; L275-S298 WeakPolarHBondContact O-CA 3.37Å; S298-F300 VanDerWaalsContact CB-CE1 3.49Å; S298-F347 WeakPolarHBondContact OG-CE2 3.45Å; S298-P348 PolarHBondContact OG-O 3.49Å; S298-G350 VanDerWaalsContact O-CA 3.26Å; S298-G350 WeakPolarHBondContact O-CA 3.4Å; S298-G350 PolarHBondContact O-N 2.91Å; S298-G350 PolarHBondContact OG-N 3.07Å; S298-G350 VanDerWaalsContact OG-N 3.1Å; S298-K351 PolarHBondContact N-O 3.05Å; S298-K351 PolarHBondContact OG-N 3.07Å; S298-K351 PolarHBondContact OG-O 2.9Å
299Q94.7Very high96.1Very high81 Ų8156 Ų5638%0.37925%0.247SC..  trans-104.931.6-175.2-49.3-171.8-20.900113.6P274 L275 W277P274-Q299 VanDerWaalsContact O-CB 3.3Å; P274-Q299 WeakPolarHBondContact O-CB 3.49Å; P274-Q299 WeakPolarHBondContact O-CG 3.24Å; P274-Q299 PolarHBondContact O-OE1 3.28Å; L275-Q299 PolarHBondContact O-N 3.03Å; W277-Q299 HydrophobicContact CB-CG 4.36Å
300F94.6Very high96.4Very high16 Ų1654 Ų547%0.0724%0.242CC..SBendtrans-112.9176.2173.449.8-92.9000112L275 V276 S298 R302 S304 A306 F347 G349 I381 F384L275-F300 HydrophobicContact CB-CD1 4.04Å; L275-F300 HydrophobicContact CD2-CB 4.16Å; L275-F300 WeakPolarHBondContact O-CD1 3.16Å; L275-F300 WeakPolarHBondContact O-CE1 3.31Å; V276-F300 HydrophobicContact CG2-CE1 4.17Å; S298-F300 VanDerWaalsContact CB-CE1 3.49Å; F300-R302 PolarHBondContact O-N 3.09Å; F300-S304 WeakPolarHBondContact CE2-O 3.08Å; F300-A306 HydrophobicContact CE1-CB 4.18Å; F300-A306 HydrophobicContact CZ-CB 3.66Å; F300-F347 WeakPolarHBondContact CZ-O 3.46Å; F300-G349 VanDerWaalsContact CD2-CA 3.47Å; F300-G349 VanDerWaalsContact CE2-N 3.29Å; F300-I381 HydrophobicContact CD1-CD1 3.64Å; F300-I381 HydrophobicContact CD2-CD1 4.22Å; F300-I381 HydrophobicContact CE1-CD1 3.69Å; F300-I381 HydrophobicContact CE2-CD1 4.24Å; F300-I381 HydrophobicContact CG-CD1 3.92Å; F300-I381 HydrophobicContact CZ-CD1 4.01Å; F300-F384 HydrophobicContact CB-CZ 4.14Å
301K94.1Very high96.5Very high118 Ų11853.9 Ų53.951%0.51324%0.241SC..  trans-58.1135.1-175.5-65.7179.11791700110.7R303 S304 F384K301-R303 HydrophobicContact CB-CG 4.12Å; K301-R303 PolarHBondContact O-N 3.38Å; K301-S304 WeakPolarHBondContact O-CB 3.12Å; K301-S304 PolarHBondContact O-N 2.83Å; K301-F384 HydrophobicContact CD-CE2 4.49Å; K301-F384 HydrophobicContact CG-CE2 4.5Å
302R94.9Very high96.6Very high210 Ų21052.3 Ų52.379%0.79224%0.235SC*.THydrogen-bonded Turntrans-56.4-23.7-179.5-63.4-175175176.7-0.8115.3F300 S304 G349F300-R302 PolarHBondContact O-N 3.09Å; R302-S304 VanDerWaalsContact C-N 3.33Å; R302-G349 WeakPolarHBondContact CA-O 3.26Å; R302-G349 WeakPolarHBondContact CG-O 3.04Å
303R95.4Very high96.6Very high203 Ų20351.9 Ų51.977%0.76623%0.233SC*.THydrogen-bonded Turntrans-77.4-17.6176.969.9-175.4-175.7-1765.4113.8K301K301-R303 HydrophobicContact CB-CG 4.12Å; K301-R303 PolarHBondContact O-N 3.38Å
304S96.5Very high96.6Very high13 Ų1349.1 Ų49.19%0.09122%0.22CC..  trans-96149.9177.8-62.80000108.9F300 K301 R302 G349F300-S304 WeakPolarHBondContact CE2-O 3.08Å; K301-S304 WeakPolarHBondContact O-CB 3.12Å; K301-S304 PolarHBondContact O-N 2.83Å; R302-S304 VanDerWaalsContact C-N 3.33Å; S304-G349 PolarHBondContact O-N 3.28Å
305T97.6Very high96.4Very high45 Ų4549.5 Ų49.528%0.27622%0.223SC..EExtended strand (participates in β ladder)trans-129.9130.5178.9-60.20000108A346 P348T305-A346 HydrophobicContact CG2-CB 3.99Å; T305-P348 HydrophobicContact CG2-CG 4.45Å
306A98Very high96.2Very high0 Ų048.2 Ų48.20%022%0.22CC..EExtended strand (participates in β ladder)trans-81.7127.3168.100000109F300 V309 F347 F379 E380 I381F300-A306 HydrophobicContact CE1-CB 4.18Å; F300-A306 HydrophobicContact CZ-CB 3.66Å; A306-V309 HydrophobicContact CB-CG2 3.53Å; A306-F347 HydrophobicContact CB-CB 4.31Å; A306-F347 PolarHBondContact N-O 2.86Å; A306-F347 PolarHBondContact O-N 3.42Å; A306-F379 HydrophobicContact CB-CB 4.44Å; A306-E380 CarbonylContact C-O 3.54Å; A306-E380 VanDerWaalsContact CA-O 3.32Å; A306-E380 WeakPolarHBondContact CA-O 3.19Å; A306-I381 HydrophobicContact CB-CD1 4.31Å; A306-I381 HydrophobicContact CB-CG1 3.81Å
307N97.7Very high95.9Very high51 Ų5151.5 Ų51.527%0.27324%0.243SC..EExtended strand (participates in β ladder)trans-96147.9178.9-62.3-28.9000109.8V309 K345 E380N307-V309 VanDerWaalsContact C-N 3.26Å; N307-V309 PolarHBondContact O-N 3.15Å; N307-K345 WeakPolarHBondContact CA-O 3.46Å; N307-E380 PolarHBondContact N-O 3.43Å; N307-E380 PolarHBondContact O-N 3.34Å
308N96.8Very high95.5Very high103 Ų10352.7 Ų52.755%0.55125%0.251SS*.EExtended strand (participates in β ladder)trans46.449.4172.6-55.9-31.1000112.7E310 K345N308-E310 PolarHBondContact O-N 2.84Å; N308-K345 PolarHBondContact N-O 2.78Å
309V97.9Very high95.3Very high0 Ų052.8 Ų52.80%025%0.252CS..EExtended strand (participates in β ladder)trans-72.2123.3179.6-177.20000108.6V276 A306 N307 I311 M343 I344 F347 V377 K378 F379V276-V309 HydrophobicContact CG1-CG1 4.42Å; A306-V309 HydrophobicContact CB-CG2 3.53Å; N307-V309 VanDerWaalsContact C-N 3.26Å; N307-V309 PolarHBondContact O-N 3.15Å; V309-I311 HydrophobicContact CG1-CG1 4.17Å; V309-M343 CarbonylContact O-C 3.53Å; V309-M343 WeakPolarHBondContact O-CA 3.37Å; V309-I344 HydrophobicContact CB-CB 4.34Å; V309-I344 PolarHBondContact N-O 3.26Å; V309-I344 PolarHBondContact O-N 3.25Å; V309-F347 HydrophobicContact CG1-CD1 4.38Å; V309-F347 HydrophobicContact CG2-CB 3.92Å; V309-F347 HydrophobicContact CG2-CD1 4.25Å; V309-V377 HydrophobicContact CG1-CG1 4.17Å; V309-K378 CarbonylContact C-O 3.55Å; V309-K378 VanDerWaalsContact CA-O 3.24Å; V309-K378 WeakPolarHBondContact CA-O 3.46Å; V309-F379 HydrophobicContact CG1-CB 4.35Å; V309-F379 HydrophobicContact CG2-CB 3.93Å
310E97.9Very high95.2Very high47 Ų4752.5 Ų52.522%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-115.8123.4175.3-64.9179.9-163.200108.8N308 N341 M343 V377 K378N308-E310 PolarHBondContact O-N 2.84Å; E310-N341 WeakPolarHBondContact CB-OD1 3.27Å; E310-N341 PolarHBondContact OE2-ND2 3.31Å; E310-N341 VanDerWaalsContact OE2-ND2 3.14Å; E310-M343 HydrophobicContact CG-CE 4.08Å; E310-M343 HydrophobicContact CG-CG 4.46Å; E310-V377 CarbonylContact O-C 3.53Å; E310-V377 WeakPolarHBondContact O-CA 3.47Å; E310-K378 HydrophobicContact CB-CB 4.15Å; E310-K378 PolarHBondContact N-O 3.19Å; E310-K378 PolarHBondContact O-N 3.2Å
311I97.8Very high95.2Very high0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-111.8110.5177-51.2163.6000105.7I278 A296 V309 I313 N341 W342 I344 I375 V377I278-I311 HydrophobicContact CD1-CD1 3.66Å; I278-I311 HydrophobicContact CD1-CG1 4.05Å; I278-I311 HydrophobicContact CD1-CG2 3.95Å; I278-I311 HydrophobicContact CG1-CG2 4.1Å; I278-I311 HydrophobicContact CG2-CG2 4.47Å; A296-I311 HydrophobicContact CB-CD1 3.73Å; V309-I311 HydrophobicContact CG1-CG1 4.17Å; I311-I313 HydrophobicContact CB-CD1 4.03Å; I311-I313 HydrophobicContact CG2-CD1 3.5Å; I311-I313 VanDerWaalsContact CG2-CD1 3.5Å; I311-I313 HydrophobicContact CG2-CG1 4.29Å; I311-I313 WeakPolarHBondContact O-CD1 3.18Å; I311-N341 PolarHBondContact N-OD1 2.94Å; I311-N341 CarbonylContact O-C 3.55Å; I311-N341 WeakPolarHBondContact O-CA 3.28Å; I311-N341 PolarHBondContact O-OD1 3.48Å; I311-W342 HydrophobicContact CB-CB 4.38Å; I311-W342 HydrophobicContact CD1-CD2 4.1Å; I311-W342 HydrophobicContact CD1-CE3 3.44Å; I311-W342 VanDerWaalsContact CD1-CE3 3.44Å; I311-W342 HydrophobicContact CD1-CZ3 3.79Å; I311-W342 PolarHBondContact N-O 2.94Å; I311-W342 PolarHBondContact O-N 3.38Å; I311-I344 HydrophobicContact CD1-CD1 4.39Å; I311-I375 HydrophobicContact CG2-CG2 3.78Å; I311-V377 HydrophobicContact CG1-CG1 4.27Å; I311-V377 HydrophobicContact CG2-CG2 4.38Å
312I97.3Very high95.3Very high28 Ų2852.2 Ų52.214%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-98.6110.6-177.9-55.7167.3000107.5A339 I375 K376I312-A339 HydrophobicContact CG2-CB 3.94Å; I312-I375 WeakPolarHBondContact O-CA 3.49Å; I312-I375 WeakPolarHBondContact O-CG2 3.5Å; I312-K376 HydrophobicContact CB-CB 4.27Å; I312-K376 HydrophobicContact CD1-CB 4.48Å; I312-K376 PolarHBondContact N-O 2.85Å; I312-K376 PolarHBondContact O-N 3.16Å
313I96.8Very high95.4Very high0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-108.8123.2-179-59.477.3000107.7Y292 I294 I311 A339 F340 I375Y292-I313 HydrophobicContact CD1-CG2 3.92Å; Y292-I313 HydrophobicContact CE1-CG2 3.9Å; I294-I313 HydrophobicContact CD1-CG1 4.31Å; I294-I313 HydrophobicContact CG1-CG1 4.31Å; I311-I313 HydrophobicContact CB-CD1 4.03Å; I311-I313 HydrophobicContact CG2-CD1 3.5Å; I311-I313 VanDerWaalsContact CG2-CD1 3.5Å; I311-I313 HydrophobicContact CG2-CG1 4.29Å; I311-I313 WeakPolarHBondContact O-CD1 3.18Å; I313-A339 CarbonylContact O-C 3.58Å; I313-A339 VanDerWaalsContact O-CA 3.27Å; I313-A339 WeakPolarHBondContact O-CA 3.43Å; I313-A339 WeakPolarHBondContact O-CB 3.45Å; I313-F340 HydrophobicContact CB-CD1 4.37Å; I313-F340 HydrophobicContact CB-CD2 4.33Å; I313-F340 HydrophobicContact CB-CE1 3.8Å; I313-F340 HydrophobicContact CB-CE2 3.74Å; I313-F340 HydrophobicContact CB-CZ 3.45Å; I313-F340 VanDerWaalsContact CB-CZ 3.45Å; I313-F340 HydrophobicContact CD1-CD2 4.17Å; I313-F340 HydrophobicContact CD1-CE2 3.57Å; I313-F340 HydrophobicContact CD1-CZ 4.1Å; I313-F340 HydrophobicContact CG1-CE2 3.86Å; I313-F340 HydrophobicContact CG1-CZ 3.85Å; I313-F340 HydrophobicContact CG2-CE1 3.79Å; I313-F340 HydrophobicContact CG2-CE2 4.43Å; I313-F340 HydrophobicContact CG2-CZ 3.64Å; I313-F340 PolarHBondContact N-O 3.18Å; I313-F340 PolarHBondContact O-N 2.96Å; I313-I375 HydrophobicContact CG1-CD1 4.4Å; I313-I375 HydrophobicContact CG1-CG1 4.44Å; I313-I375 HydrophobicContact CG1-CG2 4.3Å
314P95.6Very high95.5Very high18 Ų1842.5 Ų42.512%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-72.8148.4175.427.7-31000112.7Y292 S338 P373 I421Y292-P314 PolarHBondContact OH-O 3.31Å; P314-S338 CarbonylContact C-O 3.6Å; P314-S338 WeakPolarHBondContact CA-O 3.12Å; P314-P373 HydrophobicContact CB-CB 4.38Å; P314-P373 HydrophobicContact CB-CG 3.51Å; P314-P373 HydrophobicContact CG-CB 4.36Å; P314-P373 HydrophobicContact CG-CG 3.85Å; P314-P373 VanDerWaalsContact CG-O 3.23Å; P314-P373 WeakPolarHBondContact CG-O 3.34Å; P314-I421 HydrophobicContact CG-CD1 3.65Å
315V93.8Very high95.5Very high8 Ų849.7 Ų49.75%0.04827%0.266CS..  trans-129.2159.2175.5-60.50000110Y292 A319 Y333 S338 F340 F359Y292-V315 HydrophobicContact CE2-CG1 3.93Å; Y292-V315 WeakPolarHBondContact OH-CA 3.42Å; V315-A319 HydrophobicContact CB-CB 4.36Å; V315-A319 HydrophobicContact CG2-CB 4.35Å; V315-Y333 HydrophobicContact CG2-CD2 4.49Å; V315-Y333 HydrophobicContact CG2-CE2 3.63Å; V315-S338 PolarHBondContact N-O 3.02Å; V315-S338 WeakPolarHBondContact O-CB 3.32Å; V315-F340 HydrophobicContact CG1-CD1 3.39Å; V315-F340 HydrophobicContact CG1-CE1 3.58Å; V315-F359 HydrophobicContact CG1-CD2 4.34Å; V315-F359 HydrophobicContact CG1-CE2 3.83Å; V315-F359 HydrophobicContact CG1-CZ 3.94Å
316P91.5Very high95.4Very high30 Ų3049.8 Ų49.820%0.19527%0.266CS..  trans-53.2143.7170.4-27.236.8000111.7I290 Y292 D318 A319 L361 E370I290-P316 HydrophobicContact CD1-CG 4.08Å; Y292-P316 WeakPolarHBondContact OH-CD 3.23Å; P316-D318 WeakPolarHBondContact CB-OD1 3.43Å; P316-D318 PolarHBondContact O-N 3.44Å; P316-A319 HydrophobicContact CB-CB 4.3Å; P316-A319 WeakPolarHBondContact O-CB 3.49Å; P316-A319 PolarHBondContact O-N 2.95Å; P316-A319 VanDerWaalsContact O-N 3.15Å; P316-L361 HydrophobicContact CB-CD2 4.14Å; P316-L361 HydrophobicContact CG-CD2 4.09Å; P316-E370 WeakPolarHBondContact CA-OE2 3.36Å
317S90.6Very high95.3Very high69 Ų6953.4 Ų53.448%0.48329%0.292SS..THydrogen-bonded Turntrans-66-22.6-178.378.10000113.2S338 E370S317-S338 WeakPolarHBondContact CB-OG 3.5Å; S317-E370 WeakPolarHBondContact CB-OE1 3.4Å; S317-E370 PolarHBondContact N-OE1 2.9Å; S317-E370 PolarHBondContact N-OE2 3.41Å; S317-E370 PolarHBondContact OG-OE1 2.7Å
318D89.5Confident95.2Very high61 Ų6153.7 Ų53.733%0.32629%0.293SS..THydrogen-bonded Turntrans-94.23.2179.169-17.8000113.5P316 P362P316-D318 WeakPolarHBondContact CB-OD1 3.43Å; P316-D318 PolarHBondContact O-N 3.44Å; D318-P362 HydrophobicContact CB-CG 3.81Å; D318-P362 WeakPolarHBondContact O-CD 3.34Å; D318-P362 VanDerWaalsContact OD2-CD 3.32Å; D318-P362 WeakPolarHBondContact OD2-CD 3.26Å
319A92.2Very high95.1Very high7 Ų750.9 Ų50.96%0.05829%0.288CS..  trans-66.1135.7179.400000111.8V315 P316 Y333 F359 G360 L361V315-A319 HydrophobicContact CB-CB 4.36Å; V315-A319 HydrophobicContact CG2-CB 4.35Å; P316-A319 HydrophobicContact CB-CB 4.3Å; P316-A319 WeakPolarHBondContact O-CB 3.49Å; P316-A319 PolarHBondContact O-N 2.95Å; P316-A319 VanDerWaalsContact O-N 3.15Å; A319-Y333 PolarHBondContact O-OH 2.86Å; A319-F359 HydrophobicContact CB-CB 4.03Å; A319-F359 HydrophobicContact CB-CD1 3.91Å; A319-F359 HydrophobicContact CB-CG 4.19Å; A319-G360 WeakPolarHBondContact CA-O 2.88Å; A319-L361 HydrophobicContact CB-CD2 4.43Å
320D92.4Very high95.1Very high75 Ų7553.5 Ų53.540%0.40131%0.306SS..EExtended strand (participates in β ladder)trans-127.5-177.9-179.280.119.9000113.1F359 G360D320-F359 CarbonylContact O-C 3.59Å; D320-F359 VanDerWaalsContact O-CA 3.26Å; D320-F359 WeakPolarHBondContact O-CA 3.49Å; D320-F359 WeakPolarHBondContact O-CB 3.2Å; D320-F359 WeakPolarHBondContact O-CD1 3.28Å; D320-G360 PolarHBondContact N-O 3Å; D320-G360 PolarHBondContact O-N 2.95Å; D320-G360 VanDerWaalsContact OD1-CA 3.26Å; D320-G360 WeakPolarHBondContact OD1-CA 3.42Å
321S94.4Very high95.1Very high72 Ų7252.5 Ų52.550%0.50330%0.303SS..EExtended strand (participates in β ladder)trans49.552.7167.9-52.70000115K323S321-K323 PolarHBondContact O-N 3.23Å
322P96.6Very high95Very high56 Ų5660.5 Ų60.536%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-62.6129.2-174.526.4-36000112F324 Y333 H358 F359P322-F324 HydrophobicContact CB-CE2 3.7Å; P322-F324 HydrophobicContact CB-CZ 3.71Å; P322-Y333 HydrophobicContact CB-CD1 4.26Å; P322-Y333 HydrophobicContact CB-CG 4.4Å; P322-Y333 HydrophobicContact CG-CD1 3.85Å; P322-Y333 HydrophobicContact CG-CG 4.4Å; P322-H358 CarbonylContact C-O 3.52Å; P322-F359 HydrophobicContact CB-CD1 4.01Å; P322-F359 HydrophobicContact CB-CE1 3.58Å; P322-F359 HydrophobicContact CB-CZ 4.05Å
323K97Very high95Very high142 Ų14261.5 Ų61.562%0.61734%0.336SS*.EExtended strand (participates in β ladder)trans-128.2123171.7-66.5176.7-174.9172.20109.6S321 A357 H358S321-K323 PolarHBondContact O-N 3.23Å; K323-A357 CarbonylContact O-C 3.59Å; K323-A357 WeakPolarHBondContact O-CA 3.22Å; K323-H358 HydrophobicContact CB-CB 4.29Å; K323-H358 PolarHBondContact N-O 2.66Å; K323-H358 PolarHBondContact O-N 3.19Å
324F97.3Very high94.9Very high68 Ų6864.4 Ų64.430%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-117.7139.9-177.1-55-67.1000111.9P322 V331 F340 M355 R356 A357 F359P322-F324 HydrophobicContact CB-CE2 3.7Å; P322-F324 HydrophobicContact CB-CZ 3.71Å; F324-V331 HydrophobicContact CB-CB 4Å; F324-V331 HydrophobicContact CB-CG1 4.38Å; F324-V331 HydrophobicContact CB-CG2 4.23Å; F324-V331 HydrophobicContact CD1-CB 4.06Å; F324-V331 HydrophobicContact CD1-CG1 3.48Å; F324-V331 VanDerWaalsContact CD1-CG1 3.48Å; F324-V331 HydrophobicContact CD2-CB 3.98Å; F324-V331 HydrophobicContact CD2-CG1 3.87Å; F324-V331 HydrophobicContact CE1-CG1 3.56Å; F324-V331 HydrophobicContact CE2-CB 4.48Å; F324-V331 HydrophobicContact CE2-CG1 3.94Å; F324-V331 HydrophobicContact CG-CB 3.74Å; F324-V331 HydrophobicContact CG-CG1 3.64Å; F324-V331 HydrophobicContact CG-CG2 4.36Å; F324-V331 HydrophobicContact CZ-CG1 3.8Å; F324-F340 HydrophobicContact CE1-CB 4.1Å; F324-F340 HydrophobicContact CE1-CD1 4.24Å; F324-F340 HydrophobicContact CE1-CD2 4.1Å; F324-F340 AromaticContact CE1-CG 3.88Å; F324-F340 HydrophobicContact CE1-CG 3.88Å; F324-F340 HydrophobicContact CZ-CB 3.96Å; F324-F340 HydrophobicContact CZ-CG 4.25Å; F324-M355 HydrophobicContact CD1-SD 4.43Å; F324-R356 CarbonylContact C-O 3.5Å; F324-R356 WeakPolarHBondContact CA-O 3.1Å; F324-A357 HydrophobicContact CD1-CB 3.51Å; F324-A357 HydrophobicContact CE1-CB 3.61Å; F324-F359 AromaticContact CE1-CE2 3.87Å; F324-F359 HydrophobicContact CE1-CE2 3.87Å; F324-F359 AromaticContact CE1-CZ 3.78Å; F324-F359 HydrophobicContact CE1-CZ 3.78Å; F324-F359 HydrophobicContact CZ-CE1 4.46Å; F324-F359 HydrophobicContact CZ-CE2 4.24Å; F324-F359 AromaticContact CZ-CZ 3.68Å; F324-F359 HydrophobicContact CZ-CZ 3.68Å
325K97.1Very high94.7Very high163 Ų16367 Ų6771%0.70937%0.365SS*.EExtended strand (participates in β ladder)trans-133.1113.1169.2-175.7175.6-177.31750108.9R356K325-R356 HydrophobicContact CB-CB 4.5Å; K325-R356 PolarHBondContact N-O 3.22Å; K325-R356 PolarHBondContact O-N 3.08Å
326T96Very high94.7Very high47 Ų4773 Ų7329%0.28839%0.393SS..EExtended strand (participates in β ladder)trans-118.4148.6180-174.10000111.9I328 G329 W342T326-I328 PolarHBondContact OG1-N 2.89Å; T326-I328 PolarHBondContact OG1-O 3.23Å; T326-G329 WeakPolarHBondContact CG2-O 3.45Å; T326-W342 PolarHBondContact OG1-NE1 3.13Å
327S95Very high94.7Very high77 Ų7777.4 Ų77.454%0.53841%0.411SS..SBendtrans-75.1-29.7169.953.10000112.9L354S327-L354 PolarHBondContact N-O 3.09Å; S327-L354 PolarHBondContact OG-N 3.01Å; S327-L354 PolarHBondContact OG-O 3.41Å
328I95.6Very high94.8Very high57 Ų5775.9 Ų75.929%0.29240%0.4SS..SBendtrans-154.7156.6178.8-164.6167000111T326 W342 I344 Y353T326-I328 PolarHBondContact OG1-N 2.89Å; T326-I328 PolarHBondContact OG1-O 3.23Å; I328-W342 HydrophobicContact CG2-CZ2 4.38Å; I328-W342 PolarHBondContact O-NE1 2.89Å; I328-I344 HydrophobicContact CG2-CD1 4.25Å; I328-I344 HydrophobicContact CG2-CG1 4.32Å; I328-I344 HydrophobicContact CG2-CG2 4.24Å; I328-Y353 HydrophobicContact CB-CD1 4.2Å; I328-Y353 HydrophobicContact CB-CE1 4.31Å; I328-Y353 HydrophobicContact CB-CG 4.43Å; I328-Y353 HydrophobicContact CD1-CE1 4.07Å; I328-Y353 HydrophobicContact CD1-CE2 4.14Å; I328-Y353 HydrophobicContact CG2-CD1 3.57Å; I328-Y353 HydrophobicContact CG2-CD2 3.49Å; I328-Y353 VanDerWaalsContact CG2-CD2 3.49Å; I328-Y353 HydrophobicContact CG2-CE1 3.95Å; I328-Y353 HydrophobicContact CG2-CE2 3.87Å; I328-Y353 HydrophobicContact CG2-CG 3.34Å
329G95.7Very high95.1Very high43 Ų4373.2 Ų73.244%0.44339%0.386SS..SBendtrans77-164.6176.400000112.6T326 M343T326-G329 WeakPolarHBondContact CG2-O 3.45Å; G329-M343 CarbonylContact C-O 3.55Å; G329-M343 WeakPolarHBondContact CA-O 3.4Å
330S97Very high95.3Very high55 Ų5572.9 Ų72.939%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-131.7148.4-177.256.30000110.6M343S330-M343 PolarHBondContact N-O 3.27Å; S330-M343 PolarHBondContact O-N 3.01Å
331V97.8Very high95.6Very high26 Ų2670 Ų7016%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-115.1135.8175.7-171.90000109.2F324 F340 N341 W342 M355F324-V331 HydrophobicContact CB-CB 4Å; F324-V331 HydrophobicContact CB-CG1 4.38Å; F324-V331 HydrophobicContact CB-CG2 4.23Å; F324-V331 HydrophobicContact CD1-CB 4.06Å; F324-V331 HydrophobicContact CD1-CG1 3.48Å; F324-V331 VanDerWaalsContact CD1-CG1 3.48Å; F324-V331 HydrophobicContact CD2-CB 3.98Å; F324-V331 HydrophobicContact CD2-CG1 3.87Å; F324-V331 HydrophobicContact CE1-CG1 3.56Å; F324-V331 HydrophobicContact CE2-CB 4.48Å; F324-V331 HydrophobicContact CE2-CG1 3.94Å; F324-V331 HydrophobicContact CG-CB 3.74Å; F324-V331 HydrophobicContact CG-CG1 3.64Å; F324-V331 HydrophobicContact CG-CG2 4.36Å; F324-V331 HydrophobicContact CZ-CG1 3.8Å; V331-F340 HydrophobicContact CG1-CB 4.25Å; V331-F340 HydrophobicContact CG1-CD2 3.68Å; V331-F340 HydrophobicContact CG1-CE2 4.5Å; V331-F340 HydrophobicContact CG1-CG 4.3Å; V331-N341 WeakPolarHBondContact CA-O 3.42Å; V331-W342 HydrophobicContact CG2-CB 4.18Å; V331-W342 HydrophobicContact CG2-CG 4.12Å; V331-M355 HydrophobicContact CG2-CG 3.77Å; V331-M355 HydrophobicContact CG2-SD 4.21Å
332R96.4Very high95.7Very high169 Ų16966.6 Ų66.664%0.63835%0.345SS*.EExtended strand (participates in β ladder)trans-126.6136.3173.1-66.1-175.4-178.4-173.70.3109.3F334 F340 N341R332-F334 HydrophobicContact CB-CE2 3.78Å; R332-F334 HydrophobicContact CB-CZ 4.01Å; R332-F340 CarbonylContact O-C 3.57Å; R332-F340 VanDerWaalsContact O-CA 3.31Å; R332-F340 WeakPolarHBondContact O-CA 3.1Å; R332-F340 WeakPolarHBondContact O-CB 2.96Å; R332-N341 PolarHBondContact N-O 2.97Å; R332-N341 PolarHBondContact O-N 3.17Å
333Y96.4Very high95.8Very high49 Ų4967.2 Ų67.219%0.19234%0.343CS..EExtended strand (participates in β ladder)trans-90.9135.8174.5-179.7-139.1000109.8V315 A319 P322 P335 A339 F340 F359V315-Y333 HydrophobicContact CG2-CD2 4.49Å; V315-Y333 HydrophobicContact CG2-CE2 3.63Å; A319-Y333 PolarHBondContact O-OH 2.86Å; P322-Y333 HydrophobicContact CB-CD1 4.26Å; P322-Y333 HydrophobicContact CB-CG 4.4Å; P322-Y333 HydrophobicContact CG-CD1 3.85Å; P322-Y333 HydrophobicContact CG-CG 4.4Å; Y333-P335 HydrophobicContact CD1-CG 3.83Å; Y333-P335 HydrophobicContact CE1-CB 4.02Å; Y333-P335 HydrophobicContact CE1-CG 3.53Å; Y333-P335 HydrophobicContact CG-CG 4.47Å; Y333-A339 VanDerWaalsContact CD2-O 3.3Å; Y333-A339 WeakPolarHBondContact CD2-O 3.33Å; Y333-F340 HydrophobicContact CD2-CB 4.26Å; Y333-F359 HydrophobicContact CD1-CE1 4.21Å; Y333-F359 AromaticContact CD2-CE1 3.71Å; Y333-F359 HydrophobicContact CD2-CE1 3.71Å; Y333-F359 AromaticContact CD2-CZ 3.99Å; Y333-F359 HydrophobicContact CD2-CZ 3.99Å; Y333-F359 HydrophobicContact CE1-CE1 4.16Å; Y333-F359 AromaticContact CE2-CE1 3.74Å; Y333-F359 HydrophobicContact CE2-CE1 3.74Å; Y333-F359 HydrophobicContact CE2-CZ 4.3Å; Y333-F359 AromaticContact CG-CE1 3.99Å; Y333-F359 HydrophobicContact CG-CE1 3.99Å; Y333-F359 HydrophobicContact CG-CZ 4.41Å; Y333-F359 AromaticContact CZ-CE1 3.96Å
334F94.6Very high95.8Very high61 Ų6160.5 Ų60.527%0.26831%0.314SS..EExtended strand (participates in β ladder)trans-12582.6179.7-66.6-76.2000108.8R332 E336 Q337 S338 A339 N341R332-F334 HydrophobicContact CB-CE2 3.78Å; R332-F334 HydrophobicContact CB-CZ 4.01Å; F334-E336 WeakPolarHBondContact CB-OE1 3.5Å; F334-E336 VanDerWaalsContact CD1-OE1 3.26Å; F334-E336 WeakPolarHBondContact CD1-OE1 3.43Å; F334-E336 PolarHBondContact O-N 2.99Å; F334-Q337 HydrophobicContact CB-CB 4.45Å; F334-Q337 PolarHBondContact O-N 3.41Å; F334-Q337 VanDerWaalsContact O-N 3.12Å; F334-S338 PolarHBondContact O-N 2.89Å; F334-A339 CarbonylContact C-O 3.51Å; F334-A339 WeakPolarHBondContact CA-O 3.43Å; F334-A339 PolarHBondContact N-O 3.29Å; F334-A339 PolarHBondContact O-N 3.15Å; F334-A339 VanDerWaalsContact O-O 3.11Å; F334-N341 HydrophobicContact CD2-CB 3.97Å; F334-N341 HydrophobicContact CE2-CB 3.57Å
335P92.4Very high95.8Very high71 Ų7165.3 Ų65.346%0.46134%0.335SS..G310 helixtrans-56.8-34.3-178.4-15.622.5000113.1Y333 Q337 S338Y333-P335 HydrophobicContact CD1-CG 3.83Å; Y333-P335 HydrophobicContact CE1-CB 4.02Å; Y333-P335 HydrophobicContact CE1-CG 3.53Å; Y333-P335 HydrophobicContact CG-CG 4.47Å; P335-Q337 PolarHBondContact O-N 3.08Å; P335-S338 PolarHBondContact O-N 3.5Å
336E92.5Very high95.8Very high134 Ų13459.9 Ų59.963%0.62632%0.32SS*.G310 helixtrans-66.7-16.6-179.473.3-70.2170.900113.9F334F334-E336 WeakPolarHBondContact CB-OE1 3.5Å; F334-E336 VanDerWaalsContact CD1-OE1 3.26Å; F334-E336 WeakPolarHBondContact CD1-OE1 3.43Å; F334-E336 PolarHBondContact O-N 2.99Å
337Q91.5Very high95.9Very high124 Ų12457.6 Ų57.658%0.57931%0.307SS*.G310 helixtrans-110.44.5173.7-63.7176.833.900112.3F334 P335 A339F334-Q337 HydrophobicContact CB-CB 4.45Å; F334-Q337 PolarHBondContact O-N 3.41Å; F334-Q337 VanDerWaalsContact O-N 3.12Å; P335-Q337 PolarHBondContact O-N 3.08Å; Q337-A339 HydrophobicContact CB-CB 4.39Å; Q337-A339 PolarHBondContact O-N 3.4Å
338S93.4Very high96.1Very high36 Ų3655.9 Ų55.925%0.25229%0.293SS..THydrogen-bonded Turntrans46.247.9-170.4-53.50000111.6P314 V315 S317 F334 P335P314-S338 CarbonylContact C-O 3.6Å; P314-S338 WeakPolarHBondContact CA-O 3.12Å; V315-S338 PolarHBondContact N-O 3.02Å; V315-S338 WeakPolarHBondContact O-CB 3.32Å; S317-S338 WeakPolarHBondContact CB-OG 3.5Å; F334-S338 PolarHBondContact O-N 2.89Å; P335-S338 PolarHBondContact O-N 3.5Å
339A95.6Very high96.1Very high5 Ų553.3 Ų53.34%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-151.2160.4-175.200000112.5I312 I313 Y333 F334 Q337I312-A339 HydrophobicContact CG2-CB 3.94Å; I313-A339 CarbonylContact O-C 3.58Å; I313-A339 VanDerWaalsContact O-CA 3.27Å; I313-A339 WeakPolarHBondContact O-CA 3.43Å; I313-A339 WeakPolarHBondContact O-CB 3.45Å; Y333-A339 VanDerWaalsContact CD2-O 3.3Å; Y333-A339 WeakPolarHBondContact CD2-O 3.33Å; F334-A339 CarbonylContact C-O 3.51Å; F334-A339 WeakPolarHBondContact CA-O 3.43Å; F334-A339 PolarHBondContact N-O 3.29Å; F334-A339 PolarHBondContact O-N 3.15Å; F334-A339 VanDerWaalsContact O-O 3.11Å; Q337-A339 HydrophobicContact CB-CB 4.39Å; Q337-A339 PolarHBondContact O-N 3.4Å
340F97.3Very high96.1Very high0 Ų053.3 Ų53.30%028%0.281CS..EExtended strand (participates in β ladder)trans-119.4146.8163.366.1-93.7000110.7Y292 I313 V315 F324 V331 R332 Y333 M355 A357 F359Y292-F340 HydrophobicContact CD1-CE1 4.3Å; Y292-F340 HydrophobicContact CD1-CZ 4.4Å; Y292-F340 HydrophobicContact CD2-CE1 4.22Å; Y292-F340 HydrophobicContact CE1-CE1 4.5Å; Y292-F340 HydrophobicContact CE2-CE1 4.44Å; Y292-F340 HydrophobicContact CG-CE1 4.17Å; Y292-F340 HydrophobicContact CG-CZ 4.26Å; I313-F340 HydrophobicContact CB-CD1 4.37Å; I313-F340 HydrophobicContact CB-CD2 4.33Å; I313-F340 HydrophobicContact CB-CE1 3.8Å; I313-F340 HydrophobicContact CB-CE2 3.74Å; I313-F340 HydrophobicContact CB-CZ 3.45Å; I313-F340 VanDerWaalsContact CB-CZ 3.45Å; I313-F340 HydrophobicContact CD1-CD2 4.17Å; I313-F340 HydrophobicContact CD1-CE2 3.57Å; I313-F340 HydrophobicContact CD1-CZ 4.1Å; I313-F340 HydrophobicContact CG1-CE2 3.86Å; I313-F340 HydrophobicContact CG1-CZ 3.85Å; I313-F340 HydrophobicContact CG2-CE1 3.79Å; I313-F340 HydrophobicContact CG2-CE2 4.43Å; I313-F340 HydrophobicContact CG2-CZ 3.64Å; I313-F340 PolarHBondContact N-O 3.18Å; I313-F340 PolarHBondContact O-N 2.96Å; V315-F340 HydrophobicContact CG1-CD1 3.39Å; V315-F340 HydrophobicContact CG1-CE1 3.58Å; F324-F340 HydrophobicContact CE1-CB 4.1Å; F324-F340 HydrophobicContact CE1-CD1 4.24Å; F324-F340 HydrophobicContact CE1-CD2 4.1Å; F324-F340 AromaticContact CE1-CG 3.88Å; F324-F340 HydrophobicContact CE1-CG 3.88Å; F324-F340 HydrophobicContact CZ-CB 3.96Å; F324-F340 HydrophobicContact CZ-CG 4.25Å; V331-F340 HydrophobicContact CG1-CB 4.25Å; V331-F340 HydrophobicContact CG1-CD2 3.68Å; V331-F340 HydrophobicContact CG1-CE2 4.5Å; V331-F340 HydrophobicContact CG1-CG 4.3Å; R332-F340 CarbonylContact O-C 3.57Å; R332-F340 VanDerWaalsContact O-CA 3.31Å; R332-F340 WeakPolarHBondContact O-CA 3.1Å; R332-F340 WeakPolarHBondContact O-CB 2.96Å; Y333-F340 HydrophobicContact CD2-CB 4.26Å; F340-M355 HydrophobicContact CD2-CE 4.45Å; F340-M355 HydrophobicContact CE2-CE 3.32Å; F340-M355 HydrophobicContact CE2-SD 4.16Å; F340-M355 HydrophobicContact CZ-CE 3.7Å; F340-A357 HydrophobicContact CE1-CB 4.12Å; F340-A357 HydrophobicContact CE2-CB 4.45Å; F340-A357 HydrophobicContact CZ-CB 3.96Å; F340-F359 HydrophobicContact CB-CZ 4.38Å; F340-F359 AromaticContact CD1-CE2 3.66Å; F340-F359 HydrophobicContact CD1-CE2 3.66Å; F340-F359 AromaticContact CD1-CZ 3.69Å; F340-F359 HydrophobicContact CD1-CZ 3.69Å; F340-F359 AromaticContact CE1-CE2 3.91Å; F340-F359 HydrophobicContact CE1-CE2 3.91Å; F340-F359 HydrophobicContact CE1-CZ 4.41Å; F340-F359 HydrophobicContact CG-CZ 4.33Å
341N97.3Very high96.2Very high16 Ų1655.9 Ų55.99%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-108.5121.7179.4-169.2-8.2000109.9E310 I311 V331 R332 F334E310-N341 WeakPolarHBondContact CB-OD1 3.27Å; E310-N341 PolarHBondContact OE2-ND2 3.31Å; E310-N341 VanDerWaalsContact OE2-ND2 3.14Å; I311-N341 PolarHBondContact N-OD1 2.94Å; I311-N341 CarbonylContact O-C 3.55Å; I311-N341 WeakPolarHBondContact O-CA 3.28Å; I311-N341 PolarHBondContact O-OD1 3.48Å; V331-N341 WeakPolarHBondContact CA-O 3.42Å; R332-N341 PolarHBondContact N-O 2.97Å; R332-N341 PolarHBondContact O-N 3.17Å; F334-N341 HydrophobicContact CD2-CB 3.97Å; F334-N341 HydrophobicContact CE2-CB 3.57Å
342W98.1Very high96.1Very high0 Ų059.5 Ų59.50%030%0.301CS..EExtended strand (participates in β ladder)trans-97.5111.6169.3178.825.9000110.2I294 A296 I311 T326 I328 V331 I344 M355I294-W342 HydrophobicContact CG2-CE3 4.35Å; I294-W342 HydrophobicContact CG2-CZ3 4.19Å; A296-W342 HydrophobicContact CB-CH2 3.91Å; A296-W342 HydrophobicContact CB-CZ3 3.64Å; I311-W342 HydrophobicContact CB-CB 4.38Å; I311-W342 HydrophobicContact CD1-CD2 4.1Å; I311-W342 HydrophobicContact CD1-CE3 3.44Å; I311-W342 VanDerWaalsContact CD1-CE3 3.44Å; I311-W342 HydrophobicContact CD1-CZ3 3.79Å; I311-W342 PolarHBondContact N-O 2.94Å; I311-W342 PolarHBondContact O-N 3.38Å; T326-W342 PolarHBondContact OG1-NE1 3.13Å; I328-W342 HydrophobicContact CG2-CZ2 4.38Å; I328-W342 PolarHBondContact O-NE1 2.89Å; V331-W342 HydrophobicContact CG2-CB 4.18Å; V331-W342 HydrophobicContact CG2-CG 4.12Å; W342-I344 HydrophobicContact CD2-CD1 4.36Å; W342-I344 HydrophobicContact CD2-CG1 4.48Å; W342-I344 HydrophobicContact CH2-CD1 4.08Å; W342-I344 HydrophobicContact CZ2-CD1 3.64Å; W342-I344 HydrophobicContact CZ2-CG1 4.19Å; W342-M355 HydrophobicContact CD2-CB 3.7Å; W342-M355 HydrophobicContact CD2-CG 3.94Å; W342-M355 HydrophobicContact CE3-CB 3.65Å; W342-M355 HydrophobicContact CE3-CG 4.25Å; W342-M355 HydrophobicContact CG-CB 4.4Å; W342-M355 HydrophobicContact CG-CG 4.11Å; W342-M355 HydrophobicContact CH2-CB 3.85Å; W342-M355 HydrophobicContact CZ2-CB 3.89Å; W342-M355 HydrophobicContact CZ3-CB 3.73Å
343M97.9Very high96.2Very high69 Ų6953.5 Ų53.534%0.3428%0.278SS..EExtended strand (participates in β ladder)trans-102.6125.5-175.8-174.8-178.8-75.300111.7V309 E310 G329 S330V309-M343 CarbonylContact O-C 3.53Å; V309-M343 WeakPolarHBondContact O-CA 3.37Å; E310-M343 HydrophobicContact CG-CE 4.08Å; E310-M343 HydrophobicContact CG-CG 4.46Å; G329-M343 CarbonylContact C-O 3.55Å; G329-M343 WeakPolarHBondContact CA-O 3.4Å; S330-M343 PolarHBondContact N-O 3.27Å; S330-M343 PolarHBondContact O-N 3.01Å
344I97.9Very high96.2Very high1 Ų155.4 Ų55.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-121.6107176.1-52.5174.9000108.4V309 I311 I328 W342 A346 F347 Y353V309-I344 HydrophobicContact CB-CB 4.34Å; V309-I344 PolarHBondContact N-O 3.26Å; V309-I344 PolarHBondContact O-N 3.25Å; I311-I344 HydrophobicContact CD1-CD1 4.39Å; I328-I344 HydrophobicContact CG2-CD1 4.25Å; I328-I344 HydrophobicContact CG2-CG1 4.32Å; I328-I344 HydrophobicContact CG2-CG2 4.24Å; W342-I344 HydrophobicContact CD2-CD1 4.36Å; W342-I344 HydrophobicContact CD2-CG1 4.48Å; W342-I344 HydrophobicContact CH2-CD1 4.08Å; W342-I344 HydrophobicContact CZ2-CD1 3.64Å; W342-I344 HydrophobicContact CZ2-CG1 4.19Å; I344-A346 VanDerWaalsContact C-N 3.32Å; I344-A346 PolarHBondContact O-N 3.28Å; I344-F347 HydrophobicContact CD1-CD1 4.14Å; I344-F347 HydrophobicContact CD1-CE1 4.29Å; I344-F347 HydrophobicContact CG2-CB 4Å; I344-F347 HydrophobicContact CG2-CG 4.44Å; I344-Y353 HydrophobicContact CD1-CD2 4.14Å
345K97.1Very high96.4Very high168 Ų16852.5 Ų52.573%0.7328%0.279SS*.EExtended strand (participates in β ladder)trans-59.5-39.6-176.3-173.1175.2-178.1175.90113.5N307 N308N307-K345 WeakPolarHBondContact CA-O 3.46Å; N308-K345 PolarHBondContact N-O 2.78Å
346A97.3Very high96.6Very high49 Ų4956.1 Ų56.141%0.40528%0.283SS..EExtended strand (participates in β ladder)trans-140.2119.5178.800000109.8T305 I344T305-A346 HydrophobicContact CG2-CB 3.99Å; I344-A346 VanDerWaalsContact C-N 3.32Å; I344-A346 PolarHBondContact O-N 3.28Å
347F97.7Very high96.9Very high0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-122.491.4-178.7-165.4176.3000109.9V276 A296 S298 F300 A306 V309 I344 K351 Y353V276-F347 HydrophobicContact CG1-CE1 4.18Å; A296-F347 HydrophobicContact CB-CE1 3.9Å; A296-F347 HydrophobicContact CB-CZ 4.11Å; S298-F347 WeakPolarHBondContact OG-CE2 3.45Å; F300-F347 WeakPolarHBondContact CZ-O 3.46Å; A306-F347 HydrophobicContact CB-CB 4.31Å; A306-F347 PolarHBondContact N-O 2.86Å; A306-F347 PolarHBondContact O-N 3.42Å; V309-F347 HydrophobicContact CG1-CD1 4.38Å; V309-F347 HydrophobicContact CG2-CB 3.92Å; V309-F347 HydrophobicContact CG2-CD1 4.25Å; I344-F347 HydrophobicContact CD1-CD1 4.14Å; I344-F347 HydrophobicContact CD1-CE1 4.29Å; I344-F347 HydrophobicContact CG2-CB 4Å; I344-F347 HydrophobicContact CG2-CG 4.44Å; F347-K351 HydrophobicContact CD2-CB 4.19Å; F347-K351 HydrophobicContact CE2-CB 3.84Å; F347-K351 WeakPolarHBondContact CE2-O 3.33Å; F347-Y353 AromaticContact CD2-CD2 3.66Å; F347-Y353 HydrophobicContact CD2-CD2 3.66Å; F347-Y353 AromaticContact CD2-CE2 3.39Å; F347-Y353 HydrophobicContact CD2-CE2 3.39Å; F347-Y353 HydrophobicContact CE1-CD2 4.49Å; F347-Y353 AromaticContact CE2-CD2 3.34Å; F347-Y353 HydrophobicContact CE2-CD2 3.34Å; F347-Y353 AromaticContact CE2-CE2 3.49Å; F347-Y353 HydrophobicContact CE2-CE2 3.49Å; F347-Y353 VanDerWaalsContact CE2-CE2 3.49Å; F347-Y353 HydrophobicContact CE2-CG 4.41Å; F347-Y353 HydrophobicContact CG-CD2 4.34Å; F347-Y353 HydrophobicContact CG-CE2 4.21Å; F347-Y353 AromaticContact CZ-CD2 3.82Å; F347-Y353 HydrophobicContact CZ-CD2 3.82Å; F347-Y353 HydrophobicContact CZ-CE2 4.38Å
348P97.8Very high97.1Very high40 Ų4046.3 Ų46.326%0.2624%0.238SC..EExtended strand (participates in β ladder)trans-64.9145.9179.9-21.433.5000112S298 T305 K351S298-P348 PolarHBondContact OG-O 3.49Å; T305-P348 HydrophobicContact CG2-CG 4.45Å; P348-K351 HydrophobicContact CB-CG 4.08Å; P348-K351 WeakPolarHBondContact O-CB 3.48Å; P348-K351 WeakPolarHBondContact O-CG 3.47Å; P348-K351 PolarHBondContact O-N 3.19Å
349G97.1Very high97.3Very high3 Ų344.6 Ų44.63%0.03123%0.226CC..THydrogen-bonded Turntrans-61.2144.8-179.600000113.6F300 R302 S304 K351F300-G349 VanDerWaalsContact CD2-CA 3.47Å; F300-G349 VanDerWaalsContact CE2-N 3.29Å; R302-G349 WeakPolarHBondContact CA-O 3.26Å; R302-G349 WeakPolarHBondContact CG-O 3.04Å; S304-G349 PolarHBondContact O-N 3.28Å; G349-K351 VanDerWaalsContact C-N 3.27Å; G349-K351 PolarHBondContact O-N 3.15Å
350G96.2Very high97.2Very high44 Ų4444.9 Ų44.945%0.45423%0.229SC..THydrogen-bonded Turntrans72.717.6-179.200000114.2S298S298-G350 VanDerWaalsContact O-CA 3.26Å; S298-G350 WeakPolarHBondContact O-CA 3.4Å; S298-G350 PolarHBondContact O-N 2.91Å; S298-G350 PolarHBondContact OG-N 3.07Å; S298-G350 VanDerWaalsContact OG-N 3.1Å
351K97.2Very high97Very high108 Ų10845.9 Ų45.947%0.4724%0.235SC..  trans-100.9155172.5-66.1-66.6-174175.50110.8S298 F347 P348 G349 Y353S298-K351 PolarHBondContact N-O 3.05Å; S298-K351 PolarHBondContact OG-N 3.07Å; S298-K351 PolarHBondContact OG-O 2.9Å; F347-K351 HydrophobicContact CD2-CB 4.19Å; F347-K351 HydrophobicContact CE2-CB 3.84Å; F347-K351 WeakPolarHBondContact CE2-O 3.33Å; P348-K351 HydrophobicContact CB-CG 4.08Å; P348-K351 WeakPolarHBondContact O-CB 3.48Å; P348-K351 WeakPolarHBondContact O-CG 3.47Å; P348-K351 PolarHBondContact O-N 3.19Å; G349-K351 VanDerWaalsContact C-N 3.27Å; G349-K351 PolarHBondContact O-N 3.15Å; K351-Y353 HydrophobicContact CB-CE2 4.24Å
352E96.9Very high96.6Very high102 Ų10247.5 Ų47.548%0.47725%0.246SC..EExtended strand (participates in β ladder)trans-129.9137.4174.2-51-170.8148.700109K295 A296 K297K295-E352 WeakPolarHBondContact CE-OE2 3.31Å; K295-E352 IonicContact NZ-OE1 3.83Å; K295-E352 IonicContact NZ-OE2 2.68Å; K295-E352 PolarHBondContact NZ-OE2 2.91Å; A296-E352 CarbonylContact O-C 3.53Å; A296-E352 VanDerWaalsContact O-CA 3.28Å; A296-E352 WeakPolarHBondContact O-CA 3.24Å; K297-E352 HydrophobicContact CB-CG 4.25Å; K297-E352 HydrophobicContact CD-CG 4.46Å; K297-E352 WeakPolarHBondContact CD-OE1 3.49Å; K297-E352 WeakPolarHBondContact CE-OE1 3.46Å; K297-E352 HydrophobicContact CG-CB 4.34Å; K297-E352 HydrophobicContact CG-CG 3.84Å; K297-E352 WeakPolarHBondContact CG-OE1 3.31Å
353Y97.6Very high96.1Very high44 Ų4452.1 Ų52.117%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-131.1150.3178.3-63.4-54.6000110.3K295 A296 I328 I344 F347 K351K295-Y353 WeakPolarHBondContact CA-O 3.45Å; A296-Y353 PolarHBondContact N-O 3.1Å; A296-Y353 PolarHBondContact O-N 3.17Å; I328-Y353 HydrophobicContact CB-CD1 4.2Å; I328-Y353 HydrophobicContact CB-CE1 4.31Å; I328-Y353 HydrophobicContact CB-CG 4.43Å; I328-Y353 HydrophobicContact CD1-CE1 4.07Å; I328-Y353 HydrophobicContact CD1-CE2 4.14Å; I328-Y353 HydrophobicContact CG2-CD1 3.57Å; I328-Y353 HydrophobicContact CG2-CD2 3.49Å; I328-Y353 VanDerWaalsContact CG2-CD2 3.49Å; I328-Y353 HydrophobicContact CG2-CE1 3.95Å; I328-Y353 HydrophobicContact CG2-CE2 3.87Å; I328-Y353 HydrophobicContact CG2-CG 3.34Å; I344-Y353 HydrophobicContact CD1-CD2 4.14Å; F347-Y353 AromaticContact CD2-CD2 3.66Å; F347-Y353 HydrophobicContact CD2-CD2 3.66Å; F347-Y353 AromaticContact CD2-CE2 3.39Å; F347-Y353 HydrophobicContact CD2-CE2 3.39Å; F347-Y353 HydrophobicContact CE1-CD2 4.49Å; F347-Y353 AromaticContact CE2-CD2 3.34Å; F347-Y353 HydrophobicContact CE2-CD2 3.34Å; F347-Y353 AromaticContact CE2-CE2 3.49Å; F347-Y353 HydrophobicContact CE2-CE2 3.49Å; F347-Y353 VanDerWaalsContact CE2-CE2 3.49Å; F347-Y353 HydrophobicContact CE2-CG 4.41Å; F347-Y353 HydrophobicContact CG-CD2 4.34Å; F347-Y353 HydrophobicContact CG-CE2 4.21Å; F347-Y353 AromaticContact CZ-CD2 3.82Å; F347-Y353 HydrophobicContact CZ-CD2 3.82Å; F347-Y353 HydrophobicContact CZ-CE2 4.38Å; K351-Y353 HydrophobicContact CB-CE2 4.24Å
354L97.5Very high95.4Very high89 Ų8954.4 Ų54.447%0.46630%0.296SS..EExtended strand (participates in β ladder)trans-117142.8-179.7-65.8170000110.6I294 K295 S327I294-L354 WeakPolarHBondContact O-CA 3.16Å; K295-L354 HydrophobicContact CB-CD2 3.59Å; K295-L354 HydrophobicContact CD-CD2 3.99Å; K295-L354 HydrophobicContact CG-CD2 3.64Å; S327-L354 PolarHBondContact N-O 3.09Å; S327-L354 PolarHBondContact OG-N 3.01Å; S327-L354 PolarHBondContact OG-O 3.41Å
355M97.6Very high94.5Very high0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-137.8134.4172.1-173.5-72.8-52.500108.9I294 F324 V331 F340 W342 A357I294-M355 HydrophobicContact CB-CE 3.71Å; I294-M355 HydrophobicContact CG1-CE 3.35Å; I294-M355 PolarHBondContact N-O 2.85Å; I294-M355 PolarHBondContact O-N 3.27Å; F324-M355 HydrophobicContact CD1-SD 4.43Å; V331-M355 HydrophobicContact CG2-CG 3.77Å; V331-M355 HydrophobicContact CG2-SD 4.21Å; F340-M355 HydrophobicContact CD2-CE 4.45Å; F340-M355 HydrophobicContact CE2-CE 3.32Å; F340-M355 HydrophobicContact CE2-SD 4.16Å; F340-M355 HydrophobicContact CZ-CE 3.7Å; W342-M355 HydrophobicContact CD2-CB 3.7Å; W342-M355 HydrophobicContact CD2-CG 3.94Å; W342-M355 HydrophobicContact CE3-CB 3.65Å; W342-M355 HydrophobicContact CE3-CG 4.25Å; W342-M355 HydrophobicContact CG-CB 4.4Å; W342-M355 HydrophobicContact CG-CG 4.11Å; W342-M355 HydrophobicContact CH2-CB 3.85Å; W342-M355 HydrophobicContact CZ2-CB 3.89Å; W342-M355 HydrophobicContact CZ3-CB 3.73Å; M355-A357 HydrophobicContact CE-CB 4.44Å; M355-A357 HydrophobicContact SD-CB 4.03Å
356R97.6Very high93.4Very high146 Ų14654.6 Ų54.655%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-116.1132.2172.9-65.5-175.4-179.8-170.7-1.8109.7Y292 M293 F324 K325Y292-R356 CarbonylContact O-C 3.6Å; Y292-R356 VanDerWaalsContact O-CA 3.24Å; Y292-R356 WeakPolarHBondContact O-CA 3.45Å; M293-R356 HydrophobicContact CG-CG 4.36Å; F324-R356 CarbonylContact C-O 3.5Å; F324-R356 WeakPolarHBondContact CA-O 3.1Å; K325-R356 HydrophobicContact CB-CB 4.5Å; K325-R356 PolarHBondContact N-O 3.22Å; K325-R356 PolarHBondContact O-N 3.08Å
357A97.5Very high92.2Very high5 Ų562.1 Ų62.14%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-121.8145.6171.400000110.1E291 Y292 K323 F324 F340 M355 F359E291-A357 CarbonylContact C-O 3.57Å; E291-A357 WeakPolarHBondContact CA-O 3.4Å; Y292-A357 HydrophobicContact CD2-CB 4.3Å; Y292-A357 PolarHBondContact N-O 3.23Å; Y292-A357 PolarHBondContact O-N 2.67Å; K323-A357 CarbonylContact O-C 3.59Å; K323-A357 WeakPolarHBondContact O-CA 3.22Å; F324-A357 HydrophobicContact CD1-CB 3.51Å; F324-A357 HydrophobicContact CE1-CB 3.61Å; F340-A357 HydrophobicContact CE1-CB 4.12Å; F340-A357 HydrophobicContact CE2-CB 4.45Å; F340-A357 HydrophobicContact CZ-CB 3.96Å; M355-A357 HydrophobicContact CE-CB 4.44Å; M355-A357 HydrophobicContact SD-CB 4.03Å; A357-F359 HydrophobicContact CB-CD2 4.41Å; A357-F359 HydrophobicContact CB-CE2 3.9Å
358H97.1Very high91Very high48 Ų4866.3 Ų66.322%0.22237%0.37CS..EExtended strand (participates in β ladder)trans-131.8131.9172.9170.8-63.4000107.9R289 I290 E291 P322 K323R289-H358 WeakPolarHBondContact CD-NE2 3.31Å; I290-H358 WeakPolarHBondContact O-CA 3.27Å; E291-H358 IonicContact OE1-CD2 3.59Å; P322-H358 CarbonylContact C-O 3.52Å; K323-H358 HydrophobicContact CB-CB 4.29Å; K323-H358 PolarHBondContact N-O 2.66Å; K323-H358 PolarHBondContact O-N 3.19Å
359F96.4Very high89.8Confident0 Ų072.7 Ų72.70%040%0.401CS..EExtended strand (participates in β ladder)trans-126.8150.1172.7-67.2-103.2000109.6R289 I290 Y292 V315 A319 D320 P322 F324 Y333 F340 A357R289-F359 CarbonylContact C-O 3.57Å; R289-F359 WeakPolarHBondContact CA-O 3.39Å; R289-F359 VanDerWaalsContact CB-O 3.24Å; R289-F359 WeakPolarHBondContact CB-O 3.36Å; I290-F359 HydrophobicContact CG2-CB 3.67Å; I290-F359 PolarHBondContact N-O 2.76Å; I290-F359 PolarHBondContact O-N 2.66Å; Y292-F359 HydrophobicContact CD2-CD2 4.26Å; Y292-F359 HydrophobicContact CD2-CE2 4.49Å; Y292-F359 HydrophobicContact CE2-CD2 4.13Å; Y292-F359 HydrophobicContact CE2-CE2 4.46Å; V315-F359 HydrophobicContact CG1-CD2 4.34Å; V315-F359 HydrophobicContact CG1-CE2 3.83Å; V315-F359 HydrophobicContact CG1-CZ 3.94Å; A319-F359 HydrophobicContact CB-CB 4.03Å; A319-F359 HydrophobicContact CB-CD1 3.91Å; A319-F359 HydrophobicContact CB-CG 4.19Å; D320-F359 CarbonylContact O-C 3.59Å; D320-F359 VanDerWaalsContact O-CA 3.26Å; D320-F359 WeakPolarHBondContact O-CA 3.49Å; D320-F359 WeakPolarHBondContact O-CB 3.2Å; D320-F359 WeakPolarHBondContact O-CD1 3.28Å; P322-F359 HydrophobicContact CB-CD1 4.01Å; P322-F359 HydrophobicContact CB-CE1 3.58Å; P322-F359 HydrophobicContact CB-CZ 4.05Å; F324-F359 AromaticContact CE1-CE2 3.87Å; F324-F359 HydrophobicContact CE1-CE2 3.87Å; F324-F359 AromaticContact CE1-CZ 3.78Å; F324-F359 HydrophobicContact CE1-CZ 3.78Å; F324-F359 HydrophobicContact CZ-CE1 4.46Å; F324-F359 HydrophobicContact CZ-CE2 4.24Å; F324-F359 AromaticContact CZ-CZ 3.68Å; F324-F359 HydrophobicContact CZ-CZ 3.68Å; Y333-F359 HydrophobicContact CD1-CE1 4.21Å; Y333-F359 AromaticContact CD2-CE1 3.71Å; Y333-F359 HydrophobicContact CD2-CE1 3.71Å; Y333-F359 AromaticContact CD2-CZ 3.99Å; Y333-F359 HydrophobicContact CD2-CZ 3.99Å; Y333-F359 HydrophobicContact CE1-CE1 4.16Å; Y333-F359 AromaticContact CE2-CE1 3.74Å; Y333-F359 HydrophobicContact CE2-CE1 3.74Å; Y333-F359 HydrophobicContact CE2-CZ 4.3Å; Y333-F359 AromaticContact CG-CE1 3.99Å; Y333-F359 HydrophobicContact CG-CE1 3.99Å; Y333-F359 HydrophobicContact CG-CZ 4.41Å; Y333-F359 AromaticContact CZ-CE1 3.96Å; F340-F359 HydrophobicContact CB-CZ 4.38Å; F340-F359 AromaticContact CD1-CE2 3.66Å; F340-F359 HydrophobicContact CD1-CE2 3.66Å; F340-F359 AromaticContact CD1-CZ 3.69Å; F340-F359 HydrophobicContact CD1-CZ 3.69Å; F340-F359 AromaticContact CE1-CE2 3.91Å; F340-F359 HydrophobicContact CE1-CE2 3.91Å; F340-F359 HydrophobicContact CE1-CZ 4.41Å; F340-F359 HydrophobicContact CG-CZ 4.33Å; A357-F359 HydrophobicContact CB-CD2 4.41Å; A357-F359 HydrophobicContact CB-CE2 3.9Å
360G94.6Very high88.8Confident10 Ų1076.2 Ų76.210%0.10342%0.416CS..EExtended strand (participates in β ladder)trans-77.5153.6164.700000110.4A319 D320A319-G360 WeakPolarHBondContact CA-O 2.88Å; D320-G360 PolarHBondContact N-O 3Å; D320-G360 PolarHBondContact O-N 2.95Å; D320-G360 VanDerWaalsContact OD1-CA 3.26Å; D320-G360 WeakPolarHBondContact OD1-CA 3.42Å
361L92Very high88Confident22 Ų2277.2 Ų77.212%0.11543%0.427CS..  trans-120.7143.6169-68.3176.7000108.9I284 S288 I290 P316 A319I284-L361 HydrophobicContact CG2-CD1 4.1Å; S288-L361 PolarHBondContact O-N 2.89Å; I290-L361 HydrophobicContact CB-CD1 4.12Å; I290-L361 HydrophobicContact CB-CG 4.34Å; I290-L361 HydrophobicContact CG2-CD1 4.46Å; I290-L361 HydrophobicContact CG2-CD2 4.1Å; I290-L361 HydrophobicContact CG2-CG 4.17Å; P316-L361 HydrophobicContact CB-CD2 4.14Å; P316-L361 HydrophobicContact CG-CD2 4.09Å; A319-L361 HydrophobicContact CB-CD2 4.43Å
362P89.8Confident87.4Confident49 Ų4981.3 Ų81.332%0.31844%0.439SS..  trans-59.5152176.3-20.131.4000111.9H287 D318 V364H287-P362 WeakPolarHBondContact CA-O 3.41Å; D318-P362 HydrophobicContact CB-CG 3.81Å; D318-P362 WeakPolarHBondContact O-CD 3.34Å; D318-P362 VanDerWaalsContact OD2-CD 3.32Å; D318-P362 WeakPolarHBondContact OD2-CD 3.26Å; P362-V364 PolarHBondContact O-N 2.88Å
363S86.7Confident87.2Confident97 Ų9779.6 Ų79.668%0.67844%0.437SS*.SBendtrans-75.6-4.6174.5-52.10000113.7H287H287-S363 PolarHBondContact CD2-O 2.8Å; H287-S363 VanDerWaalsContact CD2-O 3.29Å
364V84.9Confident87.1Confident117 Ų11778.6 Ų78.671%0.70944%0.436SS*.SBendtrans-118.4125.3178.6-177.30000107.8P362P362-V364 PolarHBondContact O-N 2.88Å
365E78.8Confident87Confident118 Ų11874.4 Ų74.455%0.55141%0.414SS*.  trans-70.2138.6177.1-73.7177.6173.300110.8H287H287-E365 IonicContact CE1-OE1 3.33Å; H287-E365 PolarHBondContact CE1-OE1 3.34Å; H287-E365 VanDerWaalsContact CE1-OE1 3.24Å; H287-E365 WeakPolarHBondContact NE2-CG 3.39Å; H287-E365 IonicContact NE2-OE1 2.85Å; H287-E365 PolarHBondContact NE2-OE1 3.16Å
366G73.5Confident87Confident56 Ų5679.1 Ų79.158%0.57743%0.434SS*.  trans-67.8148.717000000112S368G366-S368 VanDerWaalsContact C-N 3.29Å; G366-S368 PolarHBondContact O-N 2.85Å
367E72.9Confident87Confident207 Ų20772.2 Ų72.297%0.96741%0.408SS*.SBendtrans-72.8-21.2-178.3-63.5-177168.500113
368S71.2Confident87Confident88 Ų8876.6 Ų76.662%0.61543%0.426SS*.SBendtrans-98.4128.2-176.256.80000112.7G366 E370G366-S368 VanDerWaalsContact C-N 3.29Å; G366-S368 PolarHBondContact O-N 2.85Å; S368-E370 PolarHBondContact O-N 2.79Å
369I72.3Confident87Confident174 Ų17474.6 Ų74.689%0.89242%0.417SS*.  trans-70.9109.7169.2-58.5171.7000108.4
370E75.9Confident87.1Confident77 Ų7778.5 Ų78.536%0.3644%0.435SS..  trans-70.8143.4174.3-70.8-179.4-158.900111.7P316 S317 S368P316-E370 WeakPolarHBondContact CA-OE2 3.36Å; S317-E370 WeakPolarHBondContact CB-OE1 3.4Å; S317-E370 PolarHBondContact N-OE1 2.9Å; S317-E370 PolarHBondContact N-OE2 3.41Å; S317-E370 PolarHBondContact OG-OE1 2.7Å; S368-E370 PolarHBondContact O-N 2.79Å
371G80.7Confident87.2Confident65 Ų6578 Ų7867%0.6743%0.43SS*.  trans-63.2159.417000000111.5P373G371-P373 WeakPolarHBondContact O-CD 3.41Å
372R85.1Confident87.4Confident194 Ų19478.6 Ų78.673%0.73244%0.435SS*.  trans-105.380.3173.8-63-175.8-170.1178.63.9110.1A422R372-A422 PolarHBondContact NH1-OXT 2.86Å
373P91.5Very high87.7Confident66 Ų6685.2 Ų85.243%0.42946%0.455SS..PPolyproline II helixtrans-61149.8176.223.2-30.4000110.5P314 G371P314-P373 HydrophobicContact CB-CB 4.38Å; P314-P373 HydrophobicContact CB-CG 3.51Å; P314-P373 HydrophobicContact CG-CB 4.36Å; P314-P373 HydrophobicContact CG-CG 3.85Å; P314-P373 VanDerWaalsContact CG-O 3.23Å; P314-P373 WeakPolarHBondContact CG-O 3.34Å; G371-P373 WeakPolarHBondContact O-CD 3.41Å
374P94.9Very high88Confident23 Ų2381.9 Ų81.915%0.14943%0.429CS..PPolyproline II helixtrans-75.5160.6176.730.6-33.6000111.7K376 E418 L419 R420P374-K376 PolarHBondContact O-N 3.06Å; P374-E418 HydrophobicContact CB-CB 3.96Å; P374-E418 HydrophobicContact CG-CB 3.86Å; P374-E418 HydrophobicContact CG-CG 4.07Å; P374-E418 WeakPolarHBondContact CG-OE2 3.29Å; P374-L419 CarbonylContact C-O 3.59Å; P374-L419 WeakPolarHBondContact CA-O 3.46Å; P374-L419 WeakPolarHBondContact CB-O 3.46Å; P374-R420 HydrophobicContact CB-CG 4.28Å
375I96.4Very high88.4Confident1 Ų177.8 Ų77.81%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-66129.4165.8-58.8177.5000108.1I278 I311 I312 I313 V377 E418 L419 I421I278-I375 HydrophobicContact CG2-CD1 3.9Å; I278-I375 HydrophobicContact CG2-CG2 4.4Å; I311-I375 HydrophobicContact CG2-CG2 3.78Å; I312-I375 WeakPolarHBondContact O-CA 3.49Å; I312-I375 WeakPolarHBondContact O-CG2 3.5Å; I313-I375 HydrophobicContact CG1-CD1 4.4Å; I313-I375 HydrophobicContact CG1-CG1 4.44Å; I313-I375 HydrophobicContact CG1-CG2 4.3Å; I375-V377 HydrophobicContact CG2-CG2 4.42Å; I375-E418 CarbonylContact O-C 3.55Å; I375-E418 WeakPolarHBondContact O-CA 3.47Å; I375-L419 HydrophobicContact CB-CB 4.39Å; I375-L419 PolarHBondContact N-O 2.86Å; I375-L419 PolarHBondContact O-N 3.03Å; I375-I421 HydrophobicContact CD1-CD1 4.19Å; I375-I421 HydrophobicContact CD1-CG1 4.04Å; I375-I421 HydrophobicContact CG1-CD1 3.58Å; I375-I421 HydrophobicContact CG1-CG1 3.63Å
376K97.1Very high89Confident99 Ų9973.5 Ų73.543%0.4339%0.386SS..EExtended strand (participates in β ladder)trans-105.7137.8175.3-61.9-178.4178.3-177.40109.9I312 P374 Y417 E418I312-K376 HydrophobicContact CB-CB 4.27Å; I312-K376 HydrophobicContact CD1-CB 4.48Å; I312-K376 PolarHBondContact N-O 2.85Å; I312-K376 PolarHBondContact O-N 3.16Å; P374-K376 PolarHBondContact O-N 3.06Å; K376-Y417 WeakPolarHBondContact CA-O 3.48Å; K376-E418 VanDerWaalsContact CE-OE1 3.26Å; K376-E418 WeakPolarHBondContact CE-OE1 3.44Å; K376-E418 HydrophobicContact CG-CG 4.34Å; K376-E418 IonicContact NZ-OE1 2.87Å
377V97.2Very high89.8Confident1 Ų172 Ų721%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-122.1125.1177.9-168.90000110V276 I278 V309 E310 I311 I375 F379 N414 Y417 L419V276-V377 HydrophobicContact CB-CG1 4.24Å; V276-V377 HydrophobicContact CG1-CG1 3.93Å; I278-V377 HydrophobicContact CD1-CG2 4.33Å; I278-V377 HydrophobicContact CG1-CG2 3.7Å; V309-V377 HydrophobicContact CG1-CG1 4.17Å; E310-V377 CarbonylContact O-C 3.53Å; E310-V377 WeakPolarHBondContact O-CA 3.47Å; I311-V377 HydrophobicContact CG1-CG1 4.27Å; I311-V377 HydrophobicContact CG2-CG2 4.38Å; I375-V377 HydrophobicContact CG2-CG2 4.42Å; V377-F379 HydrophobicContact CG1-CD1 4.06Å; V377-N414 VanDerWaalsContact O-CB 3.27Å; V377-N414 WeakPolarHBondContact O-CB 3.42Å; V377-Y417 HydrophobicContact CB-CD1 3.67Å; V377-Y417 HydrophobicContact CB-CE1 4.17Å; V377-Y417 HydrophobicContact CB-CG 4.46Å; V377-Y417 HydrophobicContact CG2-CD1 3.91Å; V377-Y417 HydrophobicContact CG2-CE1 4.17Å; V377-Y417 PolarHBondContact N-O 3.34Å; V377-Y417 VanDerWaalsContact N-O 3.1Å; V377-L419 HydrophobicContact CG2-CD1 3.71Å
378K97.8Very high90.5Very high97 Ų9763.3 Ų63.342%0.42233%0.332SS..EExtended strand (participates in β ladder)trans-103.9138.4167.5-52.6178.6-178.7170.90110V309 E310 N414V309-K378 CarbonylContact C-O 3.55Å; V309-K378 VanDerWaalsContact CA-O 3.24Å; V309-K378 WeakPolarHBondContact CA-O 3.46Å; E310-K378 HydrophobicContact CB-CB 4.15Å; E310-K378 PolarHBondContact N-O 3.19Å; E310-K378 PolarHBondContact O-N 3.2Å; K378-N414 WeakPolarHBondContact CA-OD1 3.11Å
379F97.5Very high91.5Very high5 Ų559.1 Ų59.12%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-160.2155.9177.461.9-93.7000110.4V178 L275 V276 A306 V309 V377 I381 T412 Q413 N414 Y417V178-F379 HydrophobicContact CB-CZ 4.43Å; L275-F379 HydrophobicContact CB-CE2 4.48Å; L275-F379 HydrophobicContact CB-CZ 4.38Å; L275-F379 HydrophobicContact CD1-CE2 3.78Å; L275-F379 HydrophobicContact CD1-CZ 4.01Å; V276-F379 HydrophobicContact CB-CD1 4.46Å; V276-F379 HydrophobicContact CG2-CB 4.41Å; V276-F379 HydrophobicContact CG2-CD1 4.09Å; V276-F379 HydrophobicContact CG2-CG 4.15Å; A306-F379 HydrophobicContact CB-CB 4.44Å; V309-F379 HydrophobicContact CG1-CB 4.35Å; V309-F379 HydrophobicContact CG2-CB 3.93Å; V377-F379 HydrophobicContact CG1-CD1 4.06Å; F379-I381 HydrophobicContact CD2-CD1 4.32Å; F379-I381 HydrophobicContact CD2-CG1 4.05Å; F379-I381 HydrophobicContact CE2-CD1 4.45Å; F379-T412 HydrophobicContact CE2-CG2 4.31Å; F379-Q413 VanDerWaalsContact O-CA 3.24Å; F379-Q413 WeakPolarHBondContact O-CA 3.44Å; F379-N414 HydrophobicContact CD1-CB 3.96Å; F379-N414 HydrophobicContact CE1-CB 3.76Å; F379-N414 HydrophobicContact CZ-CB 4.25Å; F379-N414 PolarHBondContact N-OD1 3.09Å; F379-N414 PolarHBondContact O-N 3.08Å; F379-N414 PolarHBondContact O-OD1 3.05Å; F379-Y417 HydrophobicContact CE1-CD1 4.44Å; F379-Y417 AromaticContact CE1-CD2 3.62Å; F379-Y417 HydrophobicContact CE1-CD2 3.62Å; F379-Y417 HydrophobicContact CE1-CE1 4.5Å; F379-Y417 AromaticContact CE1-CE2 3.7Å; F379-Y417 HydrophobicContact CE1-CE2 3.7Å; F379-Y417 AromaticContact CE1-CG 3.99Å; F379-Y417 HydrophobicContact CE1-CG 3.99Å; F379-Y417 HydrophobicContact CZ-CD2 4.06Å; F379-Y417 AromaticContact CZ-CE2 3.99Å; F379-Y417 HydrophobicContact CZ-CE2 3.99Å
380E97.9Very high92.4Very high83 Ų8355.6 Ų55.639%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-134.4128.5171-171.4-170.3104.600110.1A306 N307 I411 T412A306-E380 CarbonylContact C-O 3.54Å; A306-E380 VanDerWaalsContact CA-O 3.32Å; A306-E380 WeakPolarHBondContact CA-O 3.19Å; N307-E380 PolarHBondContact N-O 3.43Å; N307-E380 PolarHBondContact O-N 3.34Å; E380-I411 HydrophobicContact CG-CG2 3.64Å; E380-T412 CarbonylContact C-O 3.52Å; E380-T412 WeakPolarHBondContact CA-O 3.15Å
381I97.6Very high93.2Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-118.8103.4177.3-47.2-177.3000108.1L275 F300 A306 F379 F384 T412L275-I381 HydrophobicContact CB-CD1 4.49Å; L275-I381 HydrophobicContact CD1-CD1 4.12Å; F300-I381 HydrophobicContact CD1-CD1 3.64Å; F300-I381 HydrophobicContact CD2-CD1 4.22Å; F300-I381 HydrophobicContact CE1-CD1 3.69Å; F300-I381 HydrophobicContact CE2-CD1 4.24Å; F300-I381 HydrophobicContact CG-CD1 3.92Å; F300-I381 HydrophobicContact CZ-CD1 4.01Å; A306-I381 HydrophobicContact CB-CD1 4.31Å; A306-I381 HydrophobicContact CB-CG1 3.81Å; F379-I381 HydrophobicContact CD2-CD1 4.32Å; F379-I381 HydrophobicContact CD2-CG1 4.05Å; F379-I381 HydrophobicContact CE2-CD1 4.45Å; I381-F384 HydrophobicContact CB-CB 4.18Å; I381-F384 HydrophobicContact CB-CD1 4.5Å; I381-F384 HydrophobicContact CD1-CD1 4.49Å; I381-F384 HydrophobicContact CG2-CB 3.55Å; I381-F384 HydrophobicContact CG2-CD1 4.25Å; I381-F384 HydrophobicContact CG2-CG 3.96Å; I381-T412 PolarHBondContact N-O 3.2Å; I381-T412 PolarHBondContact O-N 3.3Å
382P96.8Very high93.7Very high34 Ų3455.8 Ų55.822%0.22126%0.263CS..EExtended strand (participates in β ladder)trans-74.4155.817732-36.4000111.4F384 Y410P382-F384 PolarHBondContact O-N 3.07Å; P382-Y410 CarbonylContact C-O 3.58Å
383Y94.7Very high94.1Very high188 Ų18850.2 Ų50.274%0.73724%0.242SC*.THydrogen-bonded Turntrans55.331.3-179.8-46.9-75000113.7Y410Y383-Y410 VanDerWaalsContact CA-O 3.3Å; Y383-Y410 WeakPolarHBondContact CA-O 3.29Å; Y383-Y410 PolarHBondContact N-O 2.83Å
384F93.2Very high94.3Very high27 Ų2748.1 Ų48.112%0.11823%0.227CC..  trans-133.2141.3-178-171-101.8000110.3L275 F300 K301 I381 P382 V386 T412L275-F384 HydrophobicContact CD1-CE1 4.44Å; L275-F384 HydrophobicContact CD2-CE1 3.93Å; L275-F384 HydrophobicContact CD2-CZ 4.35Å; F300-F384 HydrophobicContact CB-CZ 4.14Å; K301-F384 HydrophobicContact CD-CE2 4.49Å; K301-F384 HydrophobicContact CG-CE2 4.5Å; I381-F384 HydrophobicContact CB-CB 4.18Å; I381-F384 HydrophobicContact CB-CD1 4.5Å; I381-F384 HydrophobicContact CD1-CD1 4.49Å; I381-F384 HydrophobicContact CG2-CB 3.55Å; I381-F384 HydrophobicContact CG2-CD1 4.25Å; I381-F384 HydrophobicContact CG2-CG 3.96Å; P382-F384 PolarHBondContact O-N 3.07Å; F384-V386 HydrophobicContact CD1-CG2 4.34Å; F384-V386 HydrophobicContact CE1-CG2 3.9Å; F384-T412 HydrophobicContact CD1-CG2 4.4Å; F384-T412 WeakPolarHBondContact CD1-OG1 3.37Å; F384-T412 PolarHBondContact O-OG1 3.01Å
385T92.5Very high94.3Very high30 Ų3052.5 Ų52.518%0.18424%0.244CC..  trans-128.7138.2168.655.90000108.5G388 I389 Y410T385-G388 WeakPolarHBondContact OG1-CA 3.44Å; T385-I389 HydrophobicContact CG2-CG2 3.7Å; T385-Y410 HydrophobicContact CG2-CD1 3.31Å; T385-Y410 HydrophobicContact CG2-CE1 4.19Å; T385-Y410 HydrophobicContact CG2-CG 3.77Å
386V91.4Very high94.2Very high28 Ų2854.6 Ų54.617%0.1726%0.255CS..SBendtrans-83.3-43178-1760000109.9E176 V178 I193 V272 L275 F384 G388 T412E176-V386 PolarHBondContact OE2-N 3.23Å; V178-V386 HydrophobicContact CG2-CG2 3.79Å; I193-V386 HydrophobicContact CD1-CB 3.85Å; I193-V386 HydrophobicContact CD1-CG1 3.61Å; I193-V386 HydrophobicContact CG1-CB 4.5Å; I193-V386 HydrophobicContact CG1-CG1 4.25Å; V272-V386 HydrophobicContact CB-CG1 4.01Å; V272-V386 HydrophobicContact CG1-CG1 3.23Å; V272-V386 HydrophobicContact CG2-CG1 3.58Å; L275-V386 HydrophobicContact CD1-CG2 3.7Å; L275-V386 HydrophobicContact CD2-CG2 4.37Å; L275-V386 HydrophobicContact CG-CG2 4.48Å; F384-V386 HydrophobicContact CD1-CG2 4.34Å; F384-V386 HydrophobicContact CE1-CG2 3.9Å; V386-G388 PolarHBondContact O-N 3.19Å; V386-T412 HydrophobicContact CG2-CG2 3.38Å
387S90.3Very high94.2Very high24 Ų2453.4 Ų53.417%0.16825%0.252CS..SBendtrans-67.4-29.5177.569.40000112E176 L230 I389E176-S387 WeakPolarHBondContact OE1-CB 3.43Å; E176-S387 PolarHBondContact OE1-OG 2.96Å; E176-S387 PolarHBondContact OE2-N 3Å; E176-S387 PolarHBondContact OE2-OG 3.47Å; L230-S387 WeakPolarHBondContact CD1-O 3.23Å; L230-S387 WeakPolarHBondContact CD2-O 3.39Å; S387-I389 WeakPolarHBondContact OG-CB 3.04Å; S387-I389 WeakPolarHBondContact OG-CG2 3.12Å; S387-I389 PolarHBondContact OG-N 3.03Å
388G89.5Confident94Very high25 Ų2555.1 Ų55.126%0.25826%0.26SS..  trans83.919.7-167.300000113.5N214 T385 V386N214-G388 PolarHBondContact ND2-O 3.31Å; T385-G388 WeakPolarHBondContact OG1-CA 3.44Å; V386-G388 PolarHBondContact O-N 3.19Å
389I91.4Very high93.7Very high1 Ų160.5 Ų60.51%0.00528%0.284CS..  trans-58.6138.8175.7-173.8169.5000109.9V174 L213 L230 F232 Y266 T385 S387V174-I389 HydrophobicContact CG1-CD1 4.31Å; V174-I389 HydrophobicContact CG1-CG2 3.6Å; L213-I389 HydrophobicContact CD1-CD1 4.25Å; L213-I389 HydrophobicContact CD2-CD1 4.36Å; L213-I389 HydrophobicContact CD2-CG1 4.44Å; L230-I389 HydrophobicContact CD1-CB 3.83Å; F232-I389 HydrophobicContact CE1-CD1 3.93Å; F232-I389 HydrophobicContact CE1-CG1 4.48Å; F232-I389 HydrophobicContact CZ-CB 4.49Å; F232-I389 HydrophobicContact CZ-CD1 3.81Å; F232-I389 HydrophobicContact CZ-CG1 4Å; Y266-I389 HydrophobicContact CD1-CD1 4.43Å; Y266-I389 HydrophobicContact CE1-CD1 3.65Å; Y266-I389 HydrophobicContact CE2-CD1 4.43Å; Y266-I389 WeakPolarHBondContact OH-CG2 3.26Å; T385-I389 HydrophobicContact CG2-CG2 3.7Å; S387-I389 WeakPolarHBondContact OG-CB 3.04Å; S387-I389 WeakPolarHBondContact OG-CG2 3.12Å; S387-I389 PolarHBondContact OG-N 3.03Å
390Q91.8Very high93.3Very high99 Ų9964.4 Ų64.446%0.46331%0.311SS..  trans-138.4123.8179.2-67.9176.7-0.400109.9L213 N214 R392L213-Q390 WeakPolarHBondContact CA-O 3.33Å; N214-Q390 HydrophobicContact CB-CB 4.37Å; N214-Q390 PolarHBondContact N-O 2.94Å; N214-Q390 PolarHBondContact OD1-N 3.24Å; N214-Q390 PolarHBondContact OD1-O 3.33Å; Q390-R392 PolarHBondContact O-N 3Å
391V92.6Very high92.9Very high25 Ų2563.4 Ų63.415%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-73.9108.5165.11780000107.7L172 V174 L211 L213 V408 Y410L172-V391 HydrophobicContact CD2-CG1 4.5Å; V174-V391 HydrophobicContact CG2-CG2 3.88Å; L211-V391 HydrophobicContact CD1-CG1 3.66Å; L211-V391 HydrophobicContact CD1-CG2 4.35Å; L213-V391 HydrophobicContact CD2-CG2 3.9Å; V391-V408 HydrophobicContact CB-CG2 4.26Å; V391-V408 HydrophobicContact CG2-CG2 4Å; V391-Y410 PolarHBondContact N-OH 2.95Å
392R90.7Very high92.6Very high121 Ų12165.7 Ų65.746%0.45733%0.333SS..EExtended strand (participates in β ladder)trans-81.1-39.4-178.2-63.3-168.868.3-149.50112.2G212 F219 Q390G212-R392 PolarHBondContact O-N 3.35Å; F219-R392 VanDerWaalsContact CZ-CZ 3.44Å; Q390-R392 PolarHBondContact O-N 3Å
393Y92.9Very high92.3Very high78 Ų7872.2 Ų72.231%0.30636%0.36SS..EExtended strand (participates in β ladder)trans-158.3153.5177.462-98.4000110.4G212 K395G212-Y393 PolarHBondContact N-O 3.31Å; G212-Y393 PolarHBondContact O-N 3.29Å; Y393-K395 HydrophobicContact CD2-CD 4.18Å; Y393-K395 HydrophobicContact CD2-CG 3.77Å; Y393-K395 HydrophobicContact CE2-CD 4.07Å; Y393-K395 HydrophobicContact CE2-CG 4.13Å
394L95.5Very high92.2Very high22 Ų2264.1 Ų64.112%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-124.5109.7160.3-179.165.9000107.5V170 L172 M199 L209 R210 L211 F254 I396 P406V170-L394 HydrophobicContact CB-CD2 4.07Å; V170-L394 HydrophobicContact CG1-CD2 3.64Å; V170-L394 HydrophobicContact CG2-CD2 4.41Å; L172-L394 HydrophobicContact CD1-CD2 3.86Å; M199-L394 HydrophobicContact CE-CD2 4.13Å; L209-L394 HydrophobicContact CB-CD1 4.21Å; L209-L394 HydrophobicContact CD2-CD1 4.11Å; L209-L394 HydrophobicContact CD2-CD2 4.05Å; L209-L394 HydrophobicContact CD2-CG 4.45Å; L209-L394 HydrophobicContact CG-CD1 4.18Å; R210-L394 WeakPolarHBondContact O-CA 3.2Å; L211-L394 HydrophobicContact CB-CD1 4.23Å; L211-L394 HydrophobicContact CD1-CD1 4.33Å; F254-L394 HydrophobicContact CZ-CD1 4.43Å; L394-I396 HydrophobicContact CG-CG1 4.39Å; L394-P406 HydrophobicContact CB-CB 4.24Å; L394-P406 HydrophobicContact CD2-CB 4.13Å
395K94.9Very high92.2Very high115 Ų11566.2 Ų66.250%0.534%0.344SS..EExtended strand (participates in β ladder)trans-86.5133.1174.1-67.4175.8-178.1-179.30108.5L209 R210 Y393L209-K395 CarbonylContact C-O 3.59Å; L209-K395 VanDerWaalsContact CA-O 3.3Å; L209-K395 WeakPolarHBondContact CA-O 3.36Å; R210-K395 HydrophobicContact CB-CB 4.23Å; R210-K395 PolarHBondContact N-O 3.09Å; R210-K395 PolarHBondContact O-N 3.49Å; Y393-K395 HydrophobicContact CD2-CD 4.18Å; Y393-K395 HydrophobicContact CD2-CG 3.77Å; Y393-K395 HydrophobicContact CE2-CD 4.07Å; Y393-K395 HydrophobicContact CE2-CG 4.13Å
396I95.9Very high92.3Very high44 Ų4467.9 Ų67.923%0.22636%0.355CS..EExtended strand (participates in β ladder)trans-116.2118.1177.9-59.4170.1000106.5V170 L203 P207 L209 L394 Y402 A404V170-I396 HydrophobicContact CG2-CD1 3.97Å; L203-I396 HydrophobicContact CD1-CG2 4.15Å; P207-I396 HydrophobicContact CB-CG2 4.29Å; L209-I396 HydrophobicContact CD1-CG1 4.3Å; L209-I396 HydrophobicContact CD1-CG2 4.17Å; L209-I396 HydrophobicContact CG-CG1 4.22Å; L394-I396 HydrophobicContact CG-CG1 4.39Å; I396-Y402 HydrophobicContact CG2-CE2 4.3Å; I396-A404 HydrophobicContact CD1-CB 3.46Å; I396-A404 VanDerWaalsContact CD1-CB 3.46Å; I396-A404 HydrophobicContact CG2-CB 4.37Å
397I95.4Very high92.5Very high75 Ų7573.1 Ų73.139%0.38537%0.372SS..EExtended strand (participates in β ladder)trans-118.3110.4-176.9-54.4169000107.5P207 E208 R210P207-I397 CarbonylContact C-O 3.56Å; P207-I397 WeakPolarHBondContact CA-O 3.41Å; E208-I397 HydrophobicContact CB-CB 4.34Å; E208-I397 PolarHBondContact N-O 3.08Å; E208-I397 WeakPolarHBondContact O-CB 3.35Å; E208-I397 PolarHBondContact O-N 3.18Å; R210-I397 HydrophobicContact CG-CD1 4.49Å
398E93.1Very high92.8Very high37 Ų3775 Ų7517%0.17338%0.383CS..  trans-134.9144.2177.9178.449.1-127.300109.7M206 P207 S400 G401 Y402M206-E398 PolarHBondContact N-OE2 3.42Å; P207-E398 WeakPolarHBondContact CA-OE2 3.47Å; P207-E398 HydrophobicContact CB-CB 4.23Å; E398-S400 WeakPolarHBondContact CG-OG 3.27Å; E398-S400 PolarHBondContact O-N 2.85Å; E398-G401 PolarHBondContact O-N 3.28Å; E398-Y402 HydrophobicContact CB-CE1 3.97Å; E398-Y402 HydrophobicContact CG-CD1 4.11Å; E398-Y402 HydrophobicContact CG-CE1 3.45Å; E398-Y402 VanDerWaalsContact CG-CE1 3.45Å
399K91.5Very high93.2Very high210 Ų21079.5 Ų79.591%0.91339%0.392SS*.THydrogen-bonded Turntrans-61-33.9-174.4-66.8179.5-178.21740112.6G401K399-G401 PolarHBondContact O-N 3.36Å
400S89.9Confident93.5Very high86 Ų8681.5 Ų81.560%0.60140%0.4SS*.THydrogen-bonded Turntrans-73.4-13.917762.40000113.8E398 Y402E398-S400 WeakPolarHBondContact CG-OG 3.27Å; E398-S400 PolarHBondContact O-N 2.85Å; S400-Y402 VanDerWaalsContact C-N 3.26Å; S400-Y402 PolarHBondContact O-N 3.16Å; S400-Y402 WeakPolarHBondContact OG-CD1 3.41Å
401G88.7Confident93.7Very high63 Ų6377.7 Ų77.765%0.64938%0.382SS*.  trans64.922176.400000115.1E398 K399E398-G401 PolarHBondContact O-N 3.28Å; K399-G401 PolarHBondContact O-N 3.36Å
402Y91.9Very high93.9Very high48 Ų4876.5 Ų76.519%0.18838%0.375CS..  trans-60.9153.9177.661.4-114.7000111.7N168 L203 S204 I396 E398 S400 A404N168-Y402 HydrophobicContact CB-CD2 3.76Å; N168-Y402 HydrophobicContact CB-CE2 3.74Å; N168-Y402 WeakPolarHBondContact ND2-CD2 3.31Å; L203-Y402 HydrophobicContact CD2-CE2 4.05Å; S204-Y402 VanDerWaalsContact O-CE1 3.24Å; S204-Y402 WeakPolarHBondContact O-CE1 3.36Å; S204-Y402 PolarHBondContact O-OH 3Å; I396-Y402 HydrophobicContact CG2-CE2 4.3Å; E398-Y402 HydrophobicContact CB-CE1 3.97Å; E398-Y402 HydrophobicContact CG-CD1 4.11Å; E398-Y402 HydrophobicContact CG-CE1 3.45Å; E398-Y402 VanDerWaalsContact CG-CE1 3.45Å; S400-Y402 VanDerWaalsContact C-N 3.26Å; S400-Y402 PolarHBondContact O-N 3.16Å; S400-Y402 WeakPolarHBondContact OG-CD1 3.41Å; Y402-A404 HydrophobicContact CD2-CB 4.11Å; Y402-A404 HydrophobicContact CE2-CB 3.88Å
403Q90.4Very high94.2Very high171 Ų17173.8 Ų73.880%0.79937%0.367SS*.  trans-80.5134.1168.7-168178.74.200109.9
404A93.1Very high94.4Very high17 Ų1772 Ų7214%0.1436%0.363CS..  trans-127149.117400000110.8N168 L203 I396 Y402 P406N168-A404 HydrophobicContact CB-CB 3.86Å; N168-A404 VanDerWaalsContact O-CA 3.3Å; N168-A404 WeakPolarHBondContact O-CA 3.25Å; L203-A404 HydrophobicContact CD2-CB 3.72Å; I396-A404 HydrophobicContact CD1-CB 3.46Å; I396-A404 VanDerWaalsContact CD1-CB 3.46Å; I396-A404 HydrophobicContact CG2-CB 4.37Å; Y402-A404 HydrophobicContact CD2-CB 4.11Å; Y402-A404 HydrophobicContact CE2-CB 3.88Å; A404-P406 WeakPolarHBondContact O-CD 3.47Å
405L92.2Very high94.3Very high71 Ų7172.2 Ų72.237%0.37237%0.37SS..EExtended strand (participates in β ladder)trans-105.6107-176.6-62.4175000110.3N168 E169 V170N168-L405 PolarHBondContact O-N 2.83Å; N168-L405 VanDerWaalsContact O-N 3.1Å; E169-L405 HydrophobicContact CG-CB 4.46Å; V170-L405 PolarHBondContact N-O 3.24Å
406P94.8Very high94.3Very high65 Ų6572.4 Ų72.442%0.42237%0.373SS..EExtended strand (participates in β ladder)trans-82.8131.4171.933-33.1000110.8V170 L394 A404V170-P406 CarbonylContact O-C 3.55Å; V170-P406 WeakPolarHBondContact O-CA 3.46Å; L394-P406 HydrophobicContact CB-CB 4.24Å; L394-P406 HydrophobicContact CD2-CB 4.13Å; A404-P406 WeakPolarHBondContact O-CD 3.47Å
407W96.5Very high94.3Very high139 Ų13970.5 Ų70.553%0.52736%0.363SS..EExtended strand (participates in β ladder)trans-117.5140.5175.5-63.296.6000109.2E169 V170 F171 L172E169-W407 PolarHBondContact OE1-NE1 2.87Å; V170-W407 PolarHBondContact O-N 2.77Å; F171-W407 CarbonylContact C-O 3.55Å; F171-W407 HydrophobicContact CD1-CB 3.64Å; F171-W407 AromaticContact CD1-CD1 3.75Å; F171-W407 AromaticContact CD1-CG 3.86Å; F171-W407 HydrophobicContact CD1-CG 3.86Å; F171-W407 HydrophobicContact CE1-CB 4.13Å; F171-W407 AromaticContact CE1-CD1 3.42Å; F171-W407 VanDerWaalsContact CE1-CD1 3.42Å; F171-W407 AromaticContact CE1-CG 3.81Å; F171-W407 HydrophobicContact CE1-CG 3.81Å; F171-W407 HydrophobicContact CG-CB 4.43Å; F171-W407 AromaticContact CZ-CD1 3.99Å; L172-W407 VanDerWaalsContact CD1-O 3.22Å; L172-W407 WeakPolarHBondContact CD1-O 2.98Å; L172-W407 PolarHBondContact N-O 3.26Å
408V96.6Very high94.3Very high64 Ų6469.6 Ų69.639%0.38836%0.357SS..EExtended strand (participates in β ladder)trans-133.5136174.862.50000110.4L172 V174 V391 Y410L172-V408 HydrophobicContact CB-CB 4.29Å; L172-V408 HydrophobicContact CB-CG2 4.14Å; L172-V408 CarbonylContact O-C 3.45Å; L172-V408 VanDerWaalsContact O-CA 3.3Å; L172-V408 WeakPolarHBondContact O-CA 3.44Å; V174-V408 HydrophobicContact CG2-CG2 4.08Å; V391-V408 HydrophobicContact CB-CG2 4.26Å; V391-V408 HydrophobicContact CG2-CG2 4Å; V408-Y410 HydrophobicContact CG1-CE2 4.21Å; V408-Y410 HydrophobicContact CG2-CE1 4.28Å; V408-Y410 HydrophobicContact CG2-CE2 3.99Å
409R96.5Very high94.4Very high118 Ų11868.2 Ų68.245%0.44535%0.351SS..EExtended strand (participates in β ladder)trans-127.2152.8164.862176.6178.2171.24.8110.2L172 D173 V174L172-R409 PolarHBondContact O-N 3.23Å; D173-R409 WeakPolarHBondContact OD1-CD 3.46Å; D173-R409 WeakPolarHBondContact OD1-CG 3.4Å; D173-R409 IonicContact OD1-CZ 2.63Å; D173-R409 IonicContact OD1-NE 3.66Å; D173-R409 PolarHBondContact OD1-NE 2.82Å; D173-R409 IonicContact OD1-NH2 3.6Å; D173-R409 IonicContact OD2-CZ 3.24Å; D173-R409 IonicContact OD2-NE 3.6Å; D173-R409 PolarHBondContact OD2-NE 2.95Å; D173-R409 IonicContact OD2-NH2 3.4Å; D173-R409 PolarHBondContact OD2-NH2 2.99Å; V174-R409 PolarHBondContact N-O 3.43Å
410Y97.6Very high94.4Very high44 Ų4464.8 Ų64.817%0.17333%0.332CS..EExtended strand (participates in β ladder)trans-116.2131.2-179.6-60.2-84.9000108.4V174 P382 Y383 T385 V391 V408V174-Y410 HydrophobicContact CB-CD1 3.63Å; V174-Y410 HydrophobicContact CB-CE1 3.99Å; V174-Y410 HydrophobicContact CG1-CD1 3.89Å; V174-Y410 HydrophobicContact CG1-CE1 4.21Å; V174-Y410 HydrophobicContact CG2-CD1 4.08Å; V174-Y410 HydrophobicContact CG2-CE1 3.93Å; V174-Y410 CarbonylContact O-C 3.58Å; V174-Y410 WeakPolarHBondContact O-CA 3.3Å; P382-Y410 CarbonylContact C-O 3.58Å; Y383-Y410 VanDerWaalsContact CA-O 3.3Å; Y383-Y410 WeakPolarHBondContact CA-O 3.29Å; Y383-Y410 PolarHBondContact N-O 2.83Å; T385-Y410 HydrophobicContact CG2-CD1 3.31Å; T385-Y410 HydrophobicContact CG2-CE1 4.19Å; T385-Y410 HydrophobicContact CG2-CG 3.77Å; V391-Y410 PolarHBondContact N-OH 2.95Å; V408-Y410 HydrophobicContact CG1-CE2 4.21Å; V408-Y410 HydrophobicContact CG2-CE1 4.28Å; V408-Y410 HydrophobicContact CG2-CE2 3.99Å
411I97.1Very high94.3Very high18 Ų1861.9 Ų61.99%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-133.4129.3-179-56.1175.4000107V174 I175 E176 E380V174-I411 PolarHBondContact O-N 2.98Å; I175-I411 CarbonylContact C-O 3.55Å; I175-I411 VanDerWaalsContact CA-O 3.32Å; I175-I411 WeakPolarHBondContact CA-O 3.5Å; I175-I411 HydrophobicContact CG1-CB 4.47Å; E176-I411 PolarHBondContact N-O 2.85Å; E380-I411 HydrophobicContact CG-CG2 3.64Å
412T97.2Very high93.7Very high0 Ų063.9 Ų63.90%032%0.32CS..EExtended strand (participates in β ladder)trans-109.7130168.4-61.80000108.5E176 V178 L275 F379 E380 I381 F384 V386E176-T412 CarbonylContact O-C 3.56Å; E176-T412 WeakPolarHBondContact O-CA 3.25Å; V178-T412 HydrophobicContact CG2-CG2 3.85Å; L275-T412 HydrophobicContact CD1-CG2 3.62Å; F379-T412 HydrophobicContact CE2-CG2 4.31Å; E380-T412 CarbonylContact C-O 3.52Å; E380-T412 WeakPolarHBondContact CA-O 3.15Å; I381-T412 PolarHBondContact N-O 3.2Å; I381-T412 PolarHBondContact O-N 3.3Å; F384-T412 HydrophobicContact CD1-CG2 4.4Å; F384-T412 WeakPolarHBondContact CD1-OG1 3.37Å; F384-T412 PolarHBondContact O-OG1 3.01Å; V386-T412 HydrophobicContact CG2-CG2 3.38Å
413Q97.2Very high93.8Very high64 Ų6464.7 Ų64.730%0.29933%0.326SS..EExtended strand (participates in β ladder)trans-132.8171.1178.262.9-176.69.100111.1I175 E176 S177 V178 F379I175-Q413 HydrophobicContact CG2-CG 4.13Å; E176-Q413 PolarHBondContact O-N 3.18Å; S177-Q413 WeakPolarHBondContact CA-O 3.39Å; S177-Q413 PolarHBondContact OG-NE2 2.79Å; S177-Q413 VanDerWaalsContact OG-NE2 3.1Å; V178-Q413 PolarHBondContact N-O 3.4Å; F379-Q413 VanDerWaalsContact O-CA 3.24Å; F379-Q413 WeakPolarHBondContact O-CA 3.44Å
414N95.9Very high93.9Very high42 Ų4259.1 Ų59.123%0.22530%0.302CS..EExtended strand (participates in β ladder)trans-70.1143167.266.3-78000110.3V377 K378 F379V377-N414 VanDerWaalsContact O-CB 3.27Å; V377-N414 WeakPolarHBondContact O-CB 3.42Å; K378-N414 WeakPolarHBondContact CA-OD1 3.11Å; F379-N414 HydrophobicContact CD1-CB 3.96Å; F379-N414 HydrophobicContact CE1-CB 3.76Å; F379-N414 HydrophobicContact CZ-CB 4.25Å; F379-N414 PolarHBondContact N-OD1 3.09Å; F379-N414 PolarHBondContact O-N 3.08Å; F379-N414 PolarHBondContact O-OD1 3.05Å
415G94.8Very high94Very high25 Ų2561.4 Ų61.426%0.25831%0.311SS..EExtended strand (participates in β ladder)trans-100.8-119.915100000108.6V178 N179 Y417V178-G415 PolarHBondContact O-N 2.93Å; N179-G415 WeakPolarHBondContact OD1-CA 3.48Å; G415-Y417 PolarHBondContact O-N 3.16Å
416E94Very high94.1Very high120 Ų12060.8 Ų60.856%0.56131%0.307SS*.EExtended strand (participates in β ladder)trans-75.585.9169.6-67179-179.800110N179 L180N179-E416 CarbonylContact C-O 3.57Å; N179-E416 VanDerWaalsContact CA-O 3.23Å; N179-E416 WeakPolarHBondContact CA-O 3.47Å; N179-E416 HydrophobicContact CB-CB 4.3Å; N179-E416 PolarHBondContact OD1-N 3.29Å; L180-E416 PolarHBondContact N-O 3.37Å
417Y96Very high94Very high4 Ų460.6 Ų60.62%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-107.894.1-177.8-156.9-78.5000111V178 L180 P274 L275 V276 K376 V377 F379 G415 L419V178-Y417 HydrophobicContact CB-CD2 4.49Å; V178-Y417 HydrophobicContact CG1-CD2 4.27Å; V178-Y417 HydrophobicContact CG1-CE2 4.12Å; L180-Y417 HydrophobicContact CB-CD2 3.66Å; L180-Y417 HydrophobicContact CB-CE2 3.68Å; L180-Y417 HydrophobicContact CB-CG 4.15Å; L180-Y417 HydrophobicContact CD2-CD1 4.41Å; L180-Y417 HydrophobicContact CD2-CD2 4.42Å; L180-Y417 HydrophobicContact CD2-CE1 3.77Å; L180-Y417 HydrophobicContact CD2-CE2 3.76Å; L180-Y417 VanDerWaalsContact CD2-CZ 3.4Å; L180-Y417 WeakPolarHBondContact CD2-OH 3.38Å; L180-Y417 HydrophobicContact CG-CE2 4.32Å; P274-Y417 WeakPolarHBondContact CA-OH 2.98Å; P274-Y417 WeakPolarHBondContact CB-OH 3.48Å; L275-Y417 PolarHBondContact N-OH 3.29Å; V276-Y417 PolarHBondContact N-OH 3.33Å; V276-Y417 VanDerWaalsContact O-CE1 3.28Å; V276-Y417 WeakPolarHBondContact O-CE1 3.49Å; V276-Y417 PolarHBondContact O-OH 2.58Å; K376-Y417 WeakPolarHBondContact CA-O 3.48Å; V377-Y417 HydrophobicContact CB-CD1 3.67Å; V377-Y417 HydrophobicContact CB-CE1 4.17Å; V377-Y417 HydrophobicContact CB-CG 4.46Å; V377-Y417 HydrophobicContact CG2-CD1 3.91Å; V377-Y417 HydrophobicContact CG2-CE1 4.17Å; V377-Y417 PolarHBondContact N-O 3.34Å; V377-Y417 VanDerWaalsContact N-O 3.1Å; F379-Y417 HydrophobicContact CE1-CD1 4.44Å; F379-Y417 AromaticContact CE1-CD2 3.62Å; F379-Y417 HydrophobicContact CE1-CD2 3.62Å; F379-Y417 HydrophobicContact CE1-CE1 4.5Å; F379-Y417 AromaticContact CE1-CE2 3.7Å; F379-Y417 HydrophobicContact CE1-CE2 3.7Å; F379-Y417 AromaticContact CE1-CG 3.99Å; F379-Y417 HydrophobicContact CE1-CG 3.99Å; F379-Y417 HydrophobicContact CZ-CD2 4.06Å; F379-Y417 AromaticContact CZ-CE2 3.99Å; F379-Y417 HydrophobicContact CZ-CE2 3.99Å; G415-Y417 PolarHBondContact O-N 3.16Å; Y417-L419 HydrophobicContact CD1-CD1 4.09Å; Y417-L419 HydrophobicContact CE1-CD1 4.02Å
418E95.3Very high93.9Very high56 Ų5655.3 Ų55.326%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-126129.5-168.1-60.2-165.1153.500112.3L180 L181 A182 P374 I375 K376L180-E418 PolarHBondContact O-N 3.26Å; L181-E418 WeakPolarHBondContact CA-O 3.15Å; L181-E418 HydrophobicContact CD1-CB 4.12Å; A182-E418 PolarHBondContact N-O 3.21Å; P374-E418 HydrophobicContact CB-CB 3.96Å; P374-E418 HydrophobicContact CG-CB 3.86Å; P374-E418 HydrophobicContact CG-CG 4.07Å; P374-E418 WeakPolarHBondContact CG-OE2 3.29Å; I375-E418 CarbonylContact O-C 3.55Å; I375-E418 WeakPolarHBondContact O-CA 3.47Å; K376-E418 VanDerWaalsContact CE-OE1 3.26Å; K376-E418 WeakPolarHBondContact CE-OE1 3.44Å; K376-E418 HydrophobicContact CG-CG 4.34Å; K376-E418 IonicContact NZ-OE1 2.87Å
419L94.6Very high93.7Very high8 Ų854.7 Ų54.74%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-117.8114.7173.9-54.398.8000109A182 W277 I278 P374 I375 V377 Y417A182-L419 HydrophobicContact CB-CD2 4.39Å; A182-L419 HydrophobicContact CB-CG 4.44Å; W277-L419 HydrophobicContact CD2-CD2 4.32Å; W277-L419 HydrophobicContact CE3-CD2 3.64Å; W277-L419 HydrophobicContact CH2-CD2 4.19Å; W277-L419 HydrophobicContact CZ3-CD2 3.57Å; I278-L419 HydrophobicContact CB-CD1 4.24Å; I278-L419 HydrophobicContact CB-CD2 4.19Å; I278-L419 HydrophobicContact CG1-CD1 4.04Å; P374-L419 CarbonylContact C-O 3.59Å; P374-L419 WeakPolarHBondContact CA-O 3.46Å; P374-L419 WeakPolarHBondContact CB-O 3.46Å; I375-L419 HydrophobicContact CB-CB 4.39Å; I375-L419 PolarHBondContact N-O 2.86Å; I375-L419 PolarHBondContact O-N 3.03Å; V377-L419 HydrophobicContact CG2-CD1 3.71Å; Y417-L419 HydrophobicContact CD1-CD1 4.09Å; Y417-L419 HydrophobicContact CE1-CD1 4.02Å
420R92.8Very high93.5Very high137 Ų13749.8 Ų49.852%0.51726%0.264SS..  trans-68.9141.2178.8-67-178.8177175.7-0.1110.4L181 A182 A184 P374L181-R420 HydrophobicContact CD1-CG 4.17Å; A182-R420 WeakPolarHBondContact O-CB 3.32Å; A182-R420 WeakPolarHBondContact O-CG 3.34Å; A182-R420 PolarHBondContact O-N 2.78Å; A184-R420 WeakPolarHBondContact CA-O 3.34Å; P374-R420 HydrophobicContact CB-CG 4.28Å
421I86.9Confident93.1Very high26 Ų2650.3 Ų50.313%0.13327%0.272CS..  trans-93.4152.1178-56.1176.9000108.7I282 P314 I375I282-I421 HydrophobicContact CD1-CD1 4.38Å; I282-I421 HydrophobicContact CD1-CG2 3.2Å; I282-I421 HydrophobicContact CG1-CG2 4.26Å; P314-I421 HydrophobicContact CG-CD1 3.65Å; I375-I421 HydrophobicContact CD1-CD1 4.19Å; I375-I421 HydrophobicContact CD1-CG1 4.04Å; I375-I421 HydrophobicContact CG1-CD1 3.58Å; I375-I421 HydrophobicContact CG1-CG1 3.63Å
422A75.5Confident92.8Very high104 Ų10453.3 Ų53.386%0.8629%0.288SS*.  trans-67.30174.300000112.9A184 R372A184-A422 HydrophobicContact CB-CB 4.08Å; R372-A422 PolarHBondContact NH1-OXT 2.86Å

Retrieved 422 of 422 residues in 425.2 ms (Link to these results)

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