A0A077Z1A7_TRITR Loading...

Nucleolar protein 56

AlphaFold DB , UniProt , Accession A0A077Z1A7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M85.4Confident90.9Very high27 Ų2714.8 Ų14.813%0.1338%0.08CC..  01480176.3169.9105.800107.9I3 N15 V16 F19 T90 L112 V117M1-I3 HydrophobicContact CE-CD1 3.29Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; M1-N15 PolarHBondContact O-OD1 3Å; M1-V16 HydrophobicContact CB-CB 4.48Å; M1-V16 PolarHBondContact N-O 3.36Å; M1-V16 WeakPolarHBondContact O-CB 3.28Å; M1-V16 PolarHBondContact O-N 3.35Å; M1-F19 HydrophobicContact CB-CB 3.89Å; M1-F19 HydrophobicContact CB-CD2 3.99Å; M1-F19 HydrophobicContact CB-CG 3.88Å; M1-F19 HydrophobicContact CE-CD2 3.87Å; M1-F19 HydrophobicContact CE-CE2 3.65Å; M1-F19 HydrophobicContact CE-CZ 4.49Å; M1-F19 HydrophobicContact CG-CD2 4.34Å; M1-F19 HydrophobicContact SD-CD1 4.26Å; M1-F19 HydrophobicContact SD-CD2 3.35Å; M1-F19 WeakPolarHBondContact SD-CD2 3.39Å; M1-F19 HydrophobicContact SD-CE1 4.14Å; M1-F19 HydrophobicContact SD-CE2 3.2Å; M1-F19 WeakPolarHBondContact SD-CE2 3.43Å; M1-F19 HydrophobicContact SD-CG 3.9Å; M1-F19 HydrophobicContact SD-CZ 3.62Å; M1-T90 HydrophobicContact CG-CG2 3.92Å; M1-T90 HydrophobicContact SD-CG2 3.82Å; M1-L112 HydrophobicContact SD-CD1 4.01Å; M1-V117 HydrophobicContact CE-CG2 3.52Å
2F91.4Very high91.1Very high16 Ų1613.6 Ų13.67%0.077%0.073CC..EExtended strand (participates in β ladder)trans-96.8153.1171.5-61.5-70.4000111L13 F14 N15 R46 L81 V89 T90 L91 G92F2-L13 HydrophobicContact CB-CD1 3.94Å; F2-L13 HydrophobicContact CB-CG 4.31Å; F2-L13 HydrophobicContact CD1-CD2 4.23Å; F2-L13 HydrophobicContact CD1-CG 4.34Å; F2-L13 HydrophobicContact CG-CD2 4.46Å; F2-F14 CarbonylContact C-O 3.53Å; F2-F14 WeakPolarHBondContact CA-O 3.39Å; F2-N15 HydrophobicContact CD1-CB 4.04Å; F2-N15 HydrophobicContact CE1-CB 3.87Å; F2-R46 VanDerWaalsContact CE1-CD 3.49Å; F2-L81 HydrophobicContact CB-CD2 4.34Å; F2-L81 HydrophobicContact CD2-CD2 3.65Å; F2-L81 HydrophobicContact CE2-CD2 4.16Å; F2-L81 HydrophobicContact CG-CD2 3.93Å; F2-V89 HydrophobicContact CD2-CG1 3.36Å; F2-V89 HydrophobicContact CE2-CG1 3.57Å; F2-T90 PolarHBondContact N-O 2.84Å; F2-L91 HydrophobicContact CB-CD1 3.84Å; F2-L91 CarbonylContact O-C 3.58Å; F2-L91 WeakPolarHBondContact O-CA 3.49Å; F2-G92 PolarHBondContact O-N 3.07Å
3I92.8Very high91.3Very high0 Ų012.5 Ų12.50%07%0.067CC..EExtended strand (participates in β ladder)trans-125.6124.1172.2-59.5-69.1000107.7M1 L13 F14 V16 G92 V117 V120 L121 I124M1-I3 HydrophobicContact CE-CD1 3.29Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; I3-L13 WeakPolarHBondContact O-CA 3.47Å; I3-F14 HydrophobicContact CB-CB 4.31Å; I3-F14 PolarHBondContact N-O 3.05Å; I3-F14 PolarHBondContact O-N 3.31Å; I3-V16 HydrophobicContact CD1-CG2 4.39Å; I3-V16 HydrophobicContact CG1-CG2 3.54Å; I3-G92 WeakPolarHBondContact CA-O 3.41Å; I3-V117 HydrophobicContact CD1-CG1 4.24Å; I3-V117 HydrophobicContact CD1-CG2 4.3Å; I3-V120 HydrophobicContact CD1-CG1 4.32Å; I3-V120 HydrophobicContact CG1-CG1 3.8Å; I3-L121 HydrophobicContact CG2-CD2 3.38Å; I3-L121 HydrophobicContact CG2-CG 3.93Å; I3-I124 HydrophobicContact CB-CD1 4.12Å; I3-I124 HydrophobicContact CG2-CD1 3.7Å
4L94Very high91.4Very high1 Ų111.6 Ų11.61%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-83123.2167.7178.364.3000108.4L73 F76 L77 L91 G92 V93 L98 I102 L121L4-L73 HydrophobicContact CD1-CD1 3.86Å; L4-L73 HydrophobicContact CD2-CD1 3.97Å; L4-L73 HydrophobicContact CD2-CD2 4.13Å; L4-F76 HydrophobicContact CD1-CE1 4.24Å; L4-L77 HydrophobicContact CD1-CD2 4.41Å; L4-L91 HydrophobicContact CB-CD1 4.14Å; L4-G92 PolarHBondContact N-O 3Å; L4-V93 HydrophobicContact CB-CG1 4.45Å; L4-L98 HydrophobicContact CD2-CD2 4.19Å; L4-I102 HydrophobicContact CD2-CD1 4.14Å; L4-L121 WeakPolarHBondContact O-CD2 3.32Å
5F93.7Very high91.3Very high4 Ų414.6 Ų14.62%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-118116.3172-179.4-106.8000109.9H7 S12 F14 L121 I124 R125 F128F5-H7 HydrophobicContact CD1-CB 4.12Å; F5-H7 HydrophobicContact CE1-CB 3.77Å; F5-H7 AromaticContact CE1-CD2 4Å; F5-S12 WeakPolarHBondContact CB-OG 3.46Å; F5-S12 WeakPolarHBondContact CD1-OG 3.39Å; F5-S12 PolarHBondContact N-O 3.17Å; F5-S12 PolarHBondContact O-N 3.48Å; F5-S12 PolarHBondContact O-OG 2.98Å; F5-F14 HydrophobicContact CB-CD2 4.14Å; F5-F14 HydrophobicContact CB-CE2 3.96Å; F5-F14 HydrophobicContact CD1-CE2 4.45Å; F5-L121 HydrophobicContact CB-CD2 4.33Å; F5-L121 HydrophobicContact CD2-CD2 3.91Å; F5-I124 HydrophobicContact CB-CG2 3.92Å; F5-I124 HydrophobicContact CD1-CG2 3.66Å; F5-I124 HydrophobicContact CD2-CG2 3.85Å; F5-I124 HydrophobicContact CE1-CG2 4.09Å; F5-I124 HydrophobicContact CE2-CG2 4.27Å; F5-I124 HydrophobicContact CG-CG2 3.53Å; F5-I124 HydrophobicContact CZ-CG2 4.38Å; F5-R125 HydrophobicContact CE2-CB 3.95Å; F5-R125 HydrophobicContact CE2-CG 4.37Å; F5-R125 HydrophobicContact CZ-CB 3.97Å; F5-R125 HydrophobicContact CZ-CG 4.13Å; F5-F128 AromaticContact CD1-CD2 3.64Å; F5-F128 HydrophobicContact CD1-CD2 3.64Å; F5-F128 AromaticContact CD1-CE2 3.63Å; F5-F128 HydrophobicContact CD1-CE2 3.63Å; F5-F128 HydrophobicContact CE1-CB 4.41Å; F5-F128 AromaticContact CE1-CD2 3.37Å; F5-F128 HydrophobicContact CE1-CD2 3.37Å; F5-F128 AromaticContact CE1-CE2 3.67Å; F5-F128 HydrophobicContact CE1-CE2 3.67Å; F5-F128 AromaticContact CE1-CG 3.87Å; F5-F128 HydrophobicContact CE1-CG 3.87Å; F5-F128 HydrophobicContact CE1-CZ 4.38Å; F5-F128 HydrophobicContact CZ-CD2 4.48Å
6E91.6Very high91.1Very high54 Ų5413.9 Ų13.925%0.2528%0.075SC..EExtended strand (participates in β ladder)trans-88.5120.5176.7-62.7147.7-14600109Y11 I64 L98E6-Y11 HydrophobicContact CB-CD1 4.46Å; E6-Y11 HydrophobicContact CB-CE1 4.45Å; E6-Y11 HydrophobicContact CG-CD1 4.08Å; E6-Y11 HydrophobicContact CG-CE1 4.01Å; E6-I64 HydrophobicContact CG-CD1 3.93Å; E6-I64 WeakPolarHBondContact OE2-CG2 3.35Å; E6-L98 WeakPolarHBondContact OE1-CD2 3.37Å
7H90.8Very high90.6Very high17 Ų1719.2 Ų19.28%0.07910%0.097CC..EExtended strand (participates in β ladder)trans-126.7155.3-179.5-174.1-97.9000110.3F5 S9 G10 F51 F128 E140 Q144F5-H7 HydrophobicContact CD1-CB 4.12Å; F5-H7 HydrophobicContact CE1-CB 3.77Å; F5-H7 AromaticContact CE1-CD2 4Å; H7-S9 PolarHBondContact ND1-N 2.81Å; H7-S9 VanDerWaalsContact ND1-N 3.13Å; H7-S9 PolarHBondContact ND1-OG 3.35Å; H7-S9 PolarHBondContact O-N 3.21Å; H7-G10 WeakPolarHBondContact CB-O 3.09Å; H7-G10 PolarHBondContact N-O 3.5Å; H7-G10 PolarHBondContact O-N 2.88Å; H7-G10 VanDerWaalsContact O-O 3.06Å; H7-F51 WeakPolarHBondContact O-CE2 3.45Å; H7-F128 HydrophobicContact CB-CE1 4.07Å; H7-F128 HydrophobicContact CB-CE2 4.25Å; H7-F128 HydrophobicContact CB-CZ 3.76Å; H7-F128 AromaticContact CD2-CD1 3.89Å; H7-F128 AromaticContact CD2-CE1 3.81Å; H7-F128 AromaticContact CE1-CE1 3.68Å; H7-F128 AromaticContact CG-CD1 3.96Å; H7-F128 AromaticContact CG-CE1 3.39Å; H7-F128 AromaticContact CG-CZ 3.62Å; H7-F128 AromaticContact ND1-CE1 3.28Å; H7-F128 VanDerWaalsContact ND1-CE1 3.28Å; H7-F128 WeakPolarHBondContact ND1-CE1 3.49Å; H7-F128 AromaticContact ND1-CZ 3.77Å; H7-E140 IonicContact NE2-OE1 3.93Å; H7-Q144 PolarHBondContact NE2-NE2 2.95Å
8A87.9Confident89.4Confident21 Ų2124.7 Ų24.717%0.17412%0.122CC..THydrogen-bonded Turntrans-59.9-19.5-179.500000113.9Q144 L147A8-Q144 HydrophobicContact CB-CB 4.33Å; A8-Q144 HydrophobicContact CB-CG 3.75Å; A8-L147 HydrophobicContact CB-CB 4.5Å; A8-L147 HydrophobicContact CB-CD2 3.77Å
9S88.2Confident88Confident18 Ų1826.6 Ų26.613%0.12613%0.13CC..THydrogen-bonded Turntrans-95-11.817868.30000114.1H7 Y48 P50 F51 I135H7-S9 PolarHBondContact ND1-N 2.81Å; H7-S9 VanDerWaalsContact ND1-N 3.13Å; H7-S9 PolarHBondContact ND1-OG 3.35Å; H7-S9 PolarHBondContact O-N 3.21Å; S9-Y48 VanDerWaalsContact CB-OH 3.32Å; S9-Y48 WeakPolarHBondContact CB-OH 3.37Å; S9-Y48 PolarHBondContact O-OH 3.26Å; S9-Y48 VanDerWaalsContact O-OH 3.1Å; S9-Y48 PolarHBondContact OG-OH 2.92Å; S9-P50 CarbonylContact O-C 3.54Å; S9-P50 VanDerWaalsContact O-CA 3.28Å; S9-P50 WeakPolarHBondContact O-CA 3.4Å; S9-F51 VanDerWaalsContact C-CD2 3.45Å; S9-F51 PolarHBondContact O-N 2.86Å; S9-I135 VanDerWaalsContact OG-CD1 3.32Å; S9-I135 WeakPolarHBondContact OG-CD1 3.32Å
10G91.1Very high86.8Confident0 Ų034.7 Ų34.70%017%0.167CC..EExtended strand (participates in β ladder)trans151.5-177.9-174.900000114.3H7 A49 F51H7-G10 WeakPolarHBondContact CB-O 3.09Å; H7-G10 PolarHBondContact N-O 3.5Å; H7-G10 PolarHBondContact O-N 2.88Å; H7-G10 VanDerWaalsContact O-O 3.06Å; G10-A49 CarbonylContact C-O 3.52Å; G10-A49 WeakPolarHBondContact CA-O 3.32Å; G10-F51 VanDerWaalsContact CA-CE2 3.45Å; G10-F51 VanDerWaalsContact N-CD2 3.28Å; G10-F51 VanDerWaalsContact N-CE2 3.33Å
11Y93.2Very high85.4Confident5 Ų537.9 Ų37.92%0.0218%0.182CC..EExtended strand (participates in β ladder)trans-92.1143176.7-59.3-53.9000112E6 Y48 A49 F51 E60 I64 L73E6-Y11 HydrophobicContact CB-CD1 4.46Å; E6-Y11 HydrophobicContact CB-CE1 4.45Å; E6-Y11 HydrophobicContact CG-CD1 4.08Å; E6-Y11 HydrophobicContact CG-CE1 4.01Å; Y11-Y48 CarbonylContact O-C 3.46Å; Y11-Y48 WeakPolarHBondContact O-CA 3.43Å; Y11-Y48 WeakPolarHBondContact O-CD2 3.5Å; Y11-A49 PolarHBondContact N-O 2.96Å; Y11-A49 PolarHBondContact O-N 3.3Å; Y11-F51 HydrophobicContact CD1-CZ 4.45Å; Y11-F51 HydrophobicContact CD2-CE1 4.15Å; Y11-F51 HydrophobicContact CD2-CZ 4.46Å; Y11-F51 HydrophobicContact CE1-CE1 4.48Å; Y11-F51 AromaticContact CE1-CZ 3.99Å; Y11-F51 HydrophobicContact CE1-CZ 3.99Å; Y11-F51 AromaticContact CE2-CE1 3.68Å; Y11-F51 HydrophobicContact CE2-CE1 3.68Å; Y11-F51 HydrophobicContact CE2-CZ 4.03Å; Y11-F51 AromaticContact CZ-CE1 3.88Å; Y11-F51 AromaticContact CZ-CZ 3.79Å; Y11-E60 VanDerWaalsContact CE2-OE2 3.28Å; Y11-E60 WeakPolarHBondContact CE2-OE2 3.32Å; Y11-E60 WeakPolarHBondContact OH-CB 3.28Å; Y11-E60 PolarHBondContact OH-OE2 3.42Å; Y11-I64 HydrophobicContact CE1-CD1 3.43Å; Y11-I64 VanDerWaalsContact CE1-CD1 3.43Å; Y11-I64 WeakPolarHBondContact OH-CD1 3.42Å; Y11-L73 HydrophobicContact CD1-CD1 4.06Å; Y11-L73 HydrophobicContact CD2-CB 4.23Å; Y11-L73 HydrophobicContact CD2-CD1 3.92Å; Y11-L73 HydrophobicContact CE1-CD1 4.28Å; Y11-L73 HydrophobicContact CE2-CB 3.67Å; Y11-L73 HydrophobicContact CE2-CD1 4.1Å; Y11-L73 HydrophobicContact CE2-CG 4.39Å; Y11-L73 HydrophobicContact CG-CD1 3.88Å
12S93.2Very high84Confident0 Ų037.2 Ų37.20%018%0.179CC..EExtended strand (participates in β ladder)trans-132.9139.9174.547.30000110.8F5 F14 A47F5-S12 WeakPolarHBondContact CB-OG 3.46Å; F5-S12 WeakPolarHBondContact CD1-OG 3.39Å; F5-S12 PolarHBondContact N-O 3.17Å; F5-S12 PolarHBondContact O-N 3.48Å; F5-S12 PolarHBondContact O-OG 2.98Å; S12-F14 WeakPolarHBondContact OG-CE2 3.28Å; S12-A47 WeakPolarHBondContact CA-O 3.36Å
13L93.4Very high82.4Confident0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-114.8120.4175.5-168.773.7000108.2F2 I3 R46 A47 F76 N80 L81 L91F2-L13 HydrophobicContact CB-CD1 3.94Å; F2-L13 HydrophobicContact CB-CG 4.31Å; F2-L13 HydrophobicContact CD1-CD2 4.23Å; F2-L13 HydrophobicContact CD1-CG 4.34Å; F2-L13 HydrophobicContact CG-CD2 4.46Å; I3-L13 WeakPolarHBondContact O-CA 3.47Å; L13-R46 WeakPolarHBondContact O-CA 3.35Å; L13-R46 WeakPolarHBondContact O-CB 3.42Å; L13-R46 PolarHBondContact O-N 2.93Å; L13-A47 HydrophobicContact CB-CB 4.29Å; L13-A47 PolarHBondContact N-O 3.37Å; L13-A47 PolarHBondContact O-N 3.47Å; L13-F76 HydrophobicContact CB-CE1 4Å; L13-F76 HydrophobicContact CB-CZ 3.88Å; L13-N80 HydrophobicContact CD2-CB 3.74Å; L13-L81 HydrophobicContact CD1-CD2 4.4Å; L13-L81 HydrophobicContact CD2-CD2 3.68Å; L13-L81 HydrophobicContact CD2-CG 4.3Å; L13-L91 HydrophobicContact CD1-CD1 3.75Å
14F92.7Very high80.8Confident0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-105.5144.7177.1-68.5-95.6000110.4F2 I3 F5 S12 V43 H44 L45 I124 F128 Y131F2-F14 CarbonylContact C-O 3.53Å; F2-F14 WeakPolarHBondContact CA-O 3.39Å; I3-F14 HydrophobicContact CB-CB 4.31Å; I3-F14 PolarHBondContact N-O 3.05Å; I3-F14 PolarHBondContact O-N 3.31Å; F5-F14 HydrophobicContact CB-CD2 4.14Å; F5-F14 HydrophobicContact CB-CE2 3.96Å; F5-F14 HydrophobicContact CD1-CE2 4.45Å; S12-F14 WeakPolarHBondContact OG-CE2 3.28Å; F14-V43 HydrophobicContact CB-CG1 3.85Å; F14-V43 HydrophobicContact CD1-CG1 3.88Å; F14-V43 HydrophobicContact CG-CG1 4.18Å; F14-H44 CarbonylContact C-O 3.57Å; F14-H44 VanDerWaalsContact CA-O 3.28Å; F14-H44 WeakPolarHBondContact CA-O 3.5Å; F14-L45 HydrophobicContact CD1-CB 4.1Å; F14-L45 HydrophobicContact CD1-CD1 4.23Å; F14-L45 HydrophobicContact CD2-CD1 4.42Å; F14-L45 HydrophobicContact CE1-CB 3.81Å; F14-L45 HydrophobicContact CE1-CD1 3.8Å; F14-L45 HydrophobicContact CE1-CG 4.39Å; F14-L45 HydrophobicContact CE2-CD1 4.01Å; F14-L45 HydrophobicContact CZ-CB 4.5Å; F14-L45 HydrophobicContact CZ-CD1 3.68Å; F14-I124 HydrophobicContact CB-CD1 3.93Å; F14-I124 HydrophobicContact CD1-CD1 4.32Å; F14-I124 HydrophobicContact CD1-CG1 4.23Å; F14-I124 HydrophobicContact CD2-CD1 3.65Å; F14-I124 HydrophobicContact CD2-CG1 4.14Å; F14-I124 HydrophobicContact CD2-CG2 3.97Å; F14-I124 HydrophobicContact CE1-CG1 4.38Å; F14-I124 HydrophobicContact CE1-CG2 4.29Å; F14-I124 HydrophobicContact CE2-CB 4.48Å; F14-I124 HydrophobicContact CE2-CD1 4.2Å; F14-I124 HydrophobicContact CE2-CG1 4.29Å; F14-I124 HydrophobicContact CE2-CG2 3.37Å; F14-I124 HydrophobicContact CG-CD1 3.7Å; F14-I124 HydrophobicContact CG-CG1 4.1Å; F14-I124 HydrophobicContact CZ-CG1 4.41Å; F14-I124 HydrophobicContact CZ-CG2 3.56Å; F14-F128 HydrophobicContact CZ-CD2 4.45Å; F14-Y131 AromaticContact CE1-CD1 3.9Å; F14-Y131 HydrophobicContact CE1-CD1 3.9Å; F14-Y131 AromaticContact CE1-CD2 3.81Å; F14-Y131 HydrophobicContact CE1-CD2 3.81Å; F14-Y131 HydrophobicContact CE1-CE1 4.09Å; F14-Y131 HydrophobicContact CE1-CE2 4.02Å; F14-Y131 AromaticContact CE1-CG 3.75Å; F14-Y131 HydrophobicContact CE1-CG 3.75Å; F14-Y131 HydrophobicContact CZ-CD2 4.26Å; F14-Y131 HydrophobicContact CZ-CG 4.29Å
15N91Very high79.2Confident56 Ų5647.5 Ų47.530%0.29925%0.253SS..EExtended strand (participates in β ladder)trans-104.4127.6171.2-173.921.3000109.4M1 F2 H44M1-N15 PolarHBondContact O-OD1 3Å; F2-N15 HydrophobicContact CD1-CB 4.04Å; F2-N15 HydrophobicContact CE1-CB 3.87Å; N15-H44 PolarHBondContact N-O 2.91Å; N15-H44 PolarHBondContact O-N 3.4Å
16V87.8Confident77.9Confident3 Ų350.4 Ų50.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-103.5117.9178.8-1770000108.6M1 I3 L22 V43 V120M1-V16 HydrophobicContact CB-CB 4.48Å; M1-V16 PolarHBondContact N-O 3.36Å; M1-V16 WeakPolarHBondContact O-CB 3.28Å; M1-V16 PolarHBondContact O-N 3.35Å; I3-V16 HydrophobicContact CD1-CG2 4.39Å; I3-V16 HydrophobicContact CG1-CG2 3.54Å; V16-L22 HydrophobicContact CG1-CD1 3.09Å; V16-V43 HydrophobicContact CG2-CG1 4.49Å; V16-V43 HydrophobicContact CG2-CG2 4.34Å; V16-V120 HydrophobicContact CG2-CG1 3.98Å
17K81.7Confident76.8Confident105 Ų10555.7 Ų55.746%0.45729%0.293SS..SBendtrans-73.3146.4173.9-73.9176.9169.4168.40110.2F19 L42 H44K17-F19 PolarHBondContact O-N 3.04Å; K17-L42 PolarHBondContact N-O 3Å; K17-H44 VanDerWaalsContact CE-NE2 3.28Å; K17-H44 WeakPolarHBondContact CE-NE2 3.35Å; K17-H44 PolarHBondContact NZ-NE2 3.48Å
18Q69.7Low75.8Confident117 Ų11758.3 Ų58.355%0.54731%0.313SS..  trans50.655.4173.4-67.3169.9-69.900115.3E20 E21 L22Q18-E20 VanDerWaalsContact C-N 3.33Å; Q18-E20 PolarHBondContact O-N 3.38Å; Q18-E21 HydrophobicContact CB-CB 4.47Å; Q18-E21 PolarHBondContact NE2-OE1 2.72Å; Q18-E21 PolarHBondContact NE2-OE2 3.47Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.69Å; Q18-L22 PolarHBondContact O-N 2.94Å
19F62.6Low74.9Confident62 Ų6257.5 Ų57.527%0.27231%0.306SS..Hα-helixtrans-59.8-37.3-179175.5-105.8000114.6M1 K17 E21 L22 L112M1-F19 HydrophobicContact CB-CB 3.89Å; M1-F19 HydrophobicContact CB-CD2 3.99Å; M1-F19 HydrophobicContact CB-CG 3.88Å; M1-F19 HydrophobicContact CE-CD2 3.87Å; M1-F19 HydrophobicContact CE-CE2 3.65Å; M1-F19 HydrophobicContact CE-CZ 4.49Å; M1-F19 HydrophobicContact CG-CD2 4.34Å; M1-F19 HydrophobicContact SD-CD1 4.26Å; M1-F19 HydrophobicContact SD-CD2 3.35Å; M1-F19 WeakPolarHBondContact SD-CD2 3.39Å; M1-F19 HydrophobicContact SD-CE1 4.14Å; M1-F19 HydrophobicContact SD-CE2 3.2Å; M1-F19 WeakPolarHBondContact SD-CE2 3.43Å; M1-F19 HydrophobicContact SD-CG 3.9Å; M1-F19 HydrophobicContact SD-CZ 3.62Å; K17-F19 PolarHBondContact O-N 3.04Å; F19-E21 PolarHBondContact O-N 3.18Å; F19-L22 PolarHBondContact O-N 3.24Å; F19-L22 VanDerWaalsContact O-N 3.08Å; F19-L112 HydrophobicContact CE1-CD1 4.36Å; F19-L112 HydrophobicContact CZ-CD1 3.98Å
20E64.1Low74.1Confident188 Ų18861 Ų6188%0.87932%0.32SS*.Hα-helixtrans-60.9-28.4-179-66.2178.4179.500112.3Q18Q18-E20 VanDerWaalsContact C-N 3.33Å; Q18-E20 PolarHBondContact O-N 3.38Å
21E57.2Low73.3Confident102 Ų10264.6 Ų64.648%0.47735%0.349SS..Hα-helixtrans-83-26177.2-65.7170.4-157.500112.7Q18 F19 G23 A24 H25Q18-E21 HydrophobicContact CB-CB 4.47Å; Q18-E21 PolarHBondContact NE2-OE1 2.72Å; Q18-E21 PolarHBondContact NE2-OE2 3.47Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.69Å; F19-E21 PolarHBondContact O-N 3.18Å; E21-G23 PolarHBondContact O-N 3.1Å; E21-A24 PolarHBondContact O-N 3.48Å; E21-H25 PolarHBondContact O-CD2 3.31Å; E21-H25 PolarHBondContact O-N 3.41Å
22L55.9Low72.4Confident13 Ų1364.7 Ų64.77%0.06835%0.351CS..Hα-helixtrans-69.1-34.9-175.6-70.6168.9000113V16 Q18 F19 A24 H25 L26 V29 A116V16-L22 HydrophobicContact CG1-CD1 3.09Å; Q18-L22 PolarHBondContact O-N 2.94Å; F19-L22 PolarHBondContact O-N 3.24Å; F19-L22 VanDerWaalsContact O-N 3.08Å; L22-A24 PolarHBondContact O-N 3.1Å; L22-H25 CarbonylContact O-C 3.57Å; L22-H25 PolarHBondContact O-N 3.47Å; L22-L26 PolarHBondContact O-N 2.88Å; L22-V29 HydrophobicContact CB-CG2 4.48Å; L22-V29 HydrophobicContact CD2-CG2 3.31Å; L22-V29 HydrophobicContact CG-CG2 4.46Å; L22-A116 HydrophobicContact CB-CB 4.29Å
23G58.2Low71.6Confident46 Ų4665.3 Ų65.347%0.47436%0.355SS..THydrogen-bonded Turntrans-63.8-30.8176.900000113E21E21-G23 PolarHBondContact O-N 3.1Å
24A58.8Low71Confident77 Ų7775.7 Ų75.764%0.63639%0.394SS*.THydrogen-bonded Turntrans-82.2-16.3177.400000113.4E21 L22E21-A24 PolarHBondContact O-N 3.48Å; L22-A24 PolarHBondContact O-N 3.1Å
25H61.3Low70.7Confident110 Ų11079 Ų7951%0.50941%0.412SS..  trans-129.340.7-170-64.5-43.8000113.2E21 L22 E27 S28 V29E21-H25 PolarHBondContact O-CD2 3.31Å; E21-H25 PolarHBondContact O-N 3.41Å; L22-H25 CarbonylContact O-C 3.57Å; L22-H25 PolarHBondContact O-N 3.47Å; H25-E27 PolarHBondContact O-N 2.87Å; H25-E27 VanDerWaalsContact O-N 3.15Å; H25-S28 WeakPolarHBondContact O-CA 3.4Å; H25-S28 VanDerWaalsContact O-CB 3.32Å; H25-S28 WeakPolarHBondContact O-CB 3.48Å; H25-S28 PolarHBondContact O-N 3.25Å; H25-V29 PolarHBondContact O-N 2.73Å; H25-V29 VanDerWaalsContact O-N 3.07Å
26L65.8Low70.3Confident65 Ų6579 Ų7934%0.3441%0.409SS..Hα-helixtrans-47-43174.4-80.4160.5000112.2L22 S28 V29 E30 A116 E119L22-L26 PolarHBondContact O-N 2.88Å; L26-S28 VanDerWaalsContact C-N 3.32Å; L26-S28 PolarHBondContact O-N 3.32Å; L26-V29 WeakPolarHBondContact O-CB 3.3Å; L26-V29 PolarHBondContact O-N 2.9Å; L26-E30 WeakPolarHBondContact O-CG 3.41Å; L26-E30 PolarHBondContact O-N 3.29Å; L26-A116 HydrophobicContact CD2-CB 4.36Å; L26-E119 HydrophobicContact CD2-CG 4.43Å
27E69.2Low70.2Confident165 Ų16581 Ų8177%0.77143%0.431SS*.Hα-helixtrans-60.3-37.5176.5-63.1-177.7175.500113.3H25 E30 A31H25-E27 PolarHBondContact O-N 2.87Å; H25-E27 VanDerWaalsContact O-N 3.15Å; E27-E30 PolarHBondContact O-N 2.79Å; E27-A31 WeakPolarHBondContact O-CB 3.28Å; E27-A31 PolarHBondContact O-N 2.91Å
28S68.3Low70.4Confident72 Ų7282.1 Ų82.150%0.50344%0.435SS..Hα-helixtrans-69.9-39.5177.1-171.80000111.4H25 L26 A31 S32H25-S28 WeakPolarHBondContact O-CA 3.4Å; H25-S28 VanDerWaalsContact O-CB 3.32Å; H25-S28 WeakPolarHBondContact O-CB 3.48Å; H25-S28 PolarHBondContact O-N 3.25Å; L26-S28 VanDerWaalsContact C-N 3.32Å; L26-S28 PolarHBondContact O-N 3.32Å; S28-A31 PolarHBondContact O-N 3.41Å; S28-S32 WeakPolarHBondContact O-CB 3.45Å; S28-S32 PolarHBondContact O-N 3.21Å
29V69.2Low71.2Confident4 Ų476.6 Ų76.62%0.02441%0.41CS..Hα-helixtrans-61.2-50174.1-176.80000109.6L22 H25 L26 A31 S32 V33 E119 V120L22-V29 HydrophobicContact CB-CG2 4.48Å; L22-V29 HydrophobicContact CD2-CG2 3.31Å; L22-V29 HydrophobicContact CG-CG2 4.46Å; H25-V29 PolarHBondContact O-N 2.73Å; H25-V29 VanDerWaalsContact O-N 3.07Å; L26-V29 WeakPolarHBondContact O-CB 3.3Å; L26-V29 PolarHBondContact O-N 2.9Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3.07Å; V29-S32 WeakPolarHBondContact O-CB 3.35Å; V29-S32 PolarHBondContact O-N 3.38Å; V29-S32 PolarHBondContact O-OG 3.09Å; V29-V33 WeakPolarHBondContact O-CG2 3.32Å; V29-V33 PolarHBondContact O-N 3.13Å; V29-E119 HydrophobicContact CG1-CB 4.32Å; V29-V120 HydrophobicContact CG1-CG2 4.45Å
30E71.9Confident72.3Confident92 Ų9276.4 Ų76.443%0.4341%0.411SS..Hα-helixtrans-57.3-43177.4-71.8-175.9-175.200112.7L26 E27 S32 V33 E119L26-E30 WeakPolarHBondContact O-CG 3.41Å; L26-E30 PolarHBondContact O-N 3.29Å; E27-E30 PolarHBondContact O-N 2.79Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.89Å; E30-V33 PolarHBondContact O-N 3.15Å; E30-E119 HydrophobicContact CG-CG 4.46Å
31A74.4Confident73.4Confident74 Ų7470.1 Ų70.161%0.61239%0.392SS*.Hα-helixtrans-65.3-35.917600000112.4E27 S28 V29E27-A31 WeakPolarHBondContact O-CB 3.28Å; E27-A31 PolarHBondContact O-N 2.91Å; S28-A31 PolarHBondContact O-N 3.41Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3.07Å
32S73.9Confident74.8Confident8 Ų867.6 Ų67.66%0.05638%0.381CS..Hα-helixtrans-71.4-27.4178.379.60000113.4S28 V29 E30 R34 D35S28-S32 WeakPolarHBondContact O-CB 3.45Å; S28-S32 PolarHBondContact O-N 3.21Å; V29-S32 WeakPolarHBondContact O-CB 3.35Å; V29-S32 PolarHBondContact O-N 3.38Å; V29-S32 PolarHBondContact O-OG 3.09Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.89Å; S32-R34 PolarHBondContact O-N 3.32Å; S32-R34 VanDerWaalsContact O-N 3.1Å; S32-D35 CarbonylContact O-C 3.6Å; S32-D35 PolarHBondContact O-N 3.08Å
33V76.5Confident76.4Confident12 Ų1267.1 Ų67.17%0.07338%0.379CS..THydrogen-bonded Turntrans-57.5-30.7-1751640000112.5V29 E30 F39 H127V29-V33 WeakPolarHBondContact O-CG2 3.32Å; V29-V33 PolarHBondContact O-N 3.13Å; E30-V33 PolarHBondContact O-N 3.15Å; V33-F39 HydrophobicContact CG2-CD2 4.34Å; V33-F39 HydrophobicContact CG2-CE2 4.32Å; V33-H127 PolarHBondContact O-NE2 3.38Å
34R81.3Confident77.9Confident218 Ų21867.6 Ų67.682%0.82337%0.368SS*.THydrogen-bonded Turntrans-74.4-27.2179.2-65.8-175.7-179.8172.21.7113.4S32S32-R34 PolarHBondContact O-N 3.32Å; S32-R34 VanDerWaalsContact O-N 3.1Å
35D85.2Confident79.4Confident70 Ų7066.6 Ų66.637%0.37435%0.352SS..  trans-104.7113-176.3-175.5-20.3000110.6S32 G37 K38 F39S32-D35 CarbonylContact O-C 3.6Å; S32-D35 PolarHBondContact O-N 3.08Å; D35-G37 VanDerWaalsContact C-N 3.28Å; D35-G37 PolarHBondContact O-N 3.21Å; D35-G37 PolarHBondContact OD1-N 3.24Å; D35-K38 HydrophobicContact CB-CB 4.21Å; D35-K38 HydrophobicContact CB-CD 4.09Å; D35-K38 HydrophobicContact CB-CG 4.15Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 WeakPolarHBondContact OD2-CE 3.47Å; D35-F39 WeakPolarHBondContact O-CB 2.92Å; D35-F39 PolarHBondContact O-N 3.33Å
36F84.2Confident80.7Confident56 Ų5666 Ų6625%0.24635%0.345CS..Hα-helixtrans-60.6-36179.8-179.7-113.4000113F39 N40 H127 K130 Y131F36-F39 PolarHBondContact O-N 3.26Å; F36-N40 HydrophobicContact CD2-CB 4.43Å; F36-N40 HydrophobicContact CE1-CB 4.32Å; F36-N40 HydrophobicContact CE2-CB 4.13Å; F36-N40 HydrophobicContact CZ-CB 4.07Å; F36-N40 WeakPolarHBondContact O-CB 3.46Å; F36-N40 PolarHBondContact O-N 3.48Å; F36-H127 HydrophobicContact CD2-CB 3.63Å; F36-H127 AromaticContact CD2-CG 3.57Å; F36-H127 AromaticContact CD2-ND1 3.65Å; F36-H127 HydrophobicContact CE2-CB 4Å; F36-H127 PolarHBondContact N-CE1 3.49Å; F36-K130 HydrophobicContact CB-CD 3.89Å; F36-K130 HydrophobicContact CD1-CD 3.86Å; F36-K130 HydrophobicContact CD2-CB 4.05Å; F36-K130 HydrophobicContact CD2-CD 3.64Å; F36-K130 HydrophobicContact CE1-CB 4.14Å; F36-K130 HydrophobicContact CE1-CD 4.29Å; F36-K130 HydrophobicContact CE2-CB 3.6Å; F36-K130 HydrophobicContact CE2-CD 4.09Å; F36-K130 HydrophobicContact CG-CB 4.48Å; F36-K130 HydrophobicContact CG-CD 3.49Å; F36-K130 VanDerWaalsContact CG-CD 3.49Å; F36-K130 HydrophobicContact CZ-CB 3.65Å; F36-K130 HydrophobicContact CZ-CD 4.39Å; F36-Y131 HydrophobicContact CE2-CD2 4.21Å; F36-Y131 HydrophobicContact CE2-CE1 4.29Å; F36-Y131 AromaticContact CE2-CE2 3.94Å; F36-Y131 HydrophobicContact CE2-CE2 3.94Å; F36-Y131 HydrophobicContact CE2-CG 4.49Å; F36-Y131 AromaticContact CE2-CZ 3.99Å
37G85.8Confident81.9Confident46 Ų4663.5 Ų63.547%0.47434%0.335SS..Hα-helixtrans-63.6-46.4-178.900000111.3D35 A41D35-G37 VanDerWaalsContact C-N 3.28Å; D35-G37 PolarHBondContact O-N 3.21Å; D35-G37 PolarHBondContact OD1-N 3.24Å; G37-A41 PolarHBondContact O-N 2.63Å
38K84.9Confident82.9Confident128 Ų12858.7 Ų58.756%0.55731%0.31SS*.Hα-helixtrans-66.5-45.8176.4-64.2-178.8-173.9178.60111.6D35 A41 L42D35-K38 HydrophobicContact CB-CB 4.21Å; D35-K38 HydrophobicContact CB-CD 4.09Å; D35-K38 HydrophobicContact CB-CG 4.15Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 WeakPolarHBondContact OD2-CE 3.47Å; K38-A41 WeakPolarHBondContact O-CB 3.29Å; K38-A41 PolarHBondContact O-N 2.92Å; K38-L42 PolarHBondContact O-N 3.44Å
39F86.8Confident84Confident1 Ų156.7 Ų56.70%0.00430%0.297CS..Hα-helixtrans-64.9-43.2-179.4-169.7-103.2000112.2V33 D35 F36 A41 L42 V43 V120 G123 I124 H127 Y131V33-F39 HydrophobicContact CG2-CD2 4.34Å; V33-F39 HydrophobicContact CG2-CE2 4.32Å; D35-F39 WeakPolarHBondContact O-CB 2.92Å; D35-F39 PolarHBondContact O-N 3.33Å; F36-F39 PolarHBondContact O-N 3.26Å; F39-A41 PolarHBondContact O-N 2.96Å; F39-L42 PolarHBondContact O-N 3.06Å; F39-L42 VanDerWaalsContact O-N 3.1Å; F39-V43 HydrophobicContact CD1-CB 4.43Å; F39-V43 HydrophobicContact CD2-CG2 4.47Å; F39-V43 HydrophobicContact CE1-CB 3.93Å; F39-V43 HydrophobicContact CE1-CG1 4.22Å; F39-V43 HydrophobicContact CE1-CG2 4.15Å; F39-V43 HydrophobicContact CE2-CG2 3.88Å; F39-V43 HydrophobicContact CZ-CB 3.99Å; F39-V43 HydrophobicContact CZ-CG1 4.28Å; F39-V43 HydrophobicContact CZ-CG2 3.7Å; F39-V43 PolarHBondContact O-N 2.99Å; F39-V120 HydrophobicContact CZ-CG1 4.43Å; F39-G123 VanDerWaalsContact CE1-C 3.45Å; F39-G123 VanDerWaalsContact CZ-C 3.42Å; F39-I124 HydrophobicContact CE1-CG1 4.09Å; F39-I124 HydrophobicContact CZ-CG1 4.06Å; F39-H127 AromaticContact CD1-CD2 3.83Å; F39-Y131 HydrophobicContact CD1-CE2 4.19Å; F39-Y131 VanDerWaalsContact CD1-OH 3.28Å; F39-Y131 WeakPolarHBondContact CD1-OH 3.44Å; F39-Y131 HydrophobicContact CE1-CE2 4.12Å
40N86.5Confident85Confident57 Ų5760.4 Ų60.431%0.30532%0.322SS..Hα-helixtrans-66.2-24.4177.2-17757.2000112.7F36 L42 H44 Y131F36-N40 HydrophobicContact CD2-CB 4.43Å; F36-N40 HydrophobicContact CE1-CB 4.32Å; F36-N40 HydrophobicContact CE2-CB 4.13Å; F36-N40 HydrophobicContact CZ-CB 4.07Å; F36-N40 WeakPolarHBondContact O-CB 3.46Å; F36-N40 PolarHBondContact O-N 3.48Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-H44 PolarHBondContact O-CE1 3.36Å; N40-H44 PolarHBondContact O-ND1 3.3Å; N40-Y131 VanDerWaalsContact OD1-CE1 3.28Å; N40-Y131 WeakPolarHBondContact OD1-CE1 3.46Å
41A86.4Confident85.8Confident57 Ų5757.6 Ų57.647%0.47131%0.308SS..Hα-helixtrans-69.7-30.7173.200000112.6G37 K38 F39G37-A41 PolarHBondContact O-N 2.63Å; K38-A41 WeakPolarHBondContact O-CB 3.29Å; K38-A41 PolarHBondContact O-N 2.92Å; F39-A41 PolarHBondContact O-N 2.96Å
42L85.8Confident86.3Confident48 Ų4862.4 Ų62.425%0.25132%0.318SS..Hα-helixtrans-89.1-38.4-179.6-64172.6000112.5K17 K38 F39 N40K17-L42 PolarHBondContact N-O 3Å; K38-L42 PolarHBondContact O-N 3.44Å; F39-L42 PolarHBondContact O-N 3.06Å; F39-L42 VanDerWaalsContact O-N 3.1Å; N40-L42 VanDerWaalsContact C-N 3.32Å
43V89.1Confident86.9Confident3 Ų366.1 Ų66.12%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-124.6119.9-171.2-174.20000110.2F14 V16 F39 V120 I124 Y131F14-V43 HydrophobicContact CB-CG1 3.85Å; F14-V43 HydrophobicContact CD1-CG1 3.88Å; F14-V43 HydrophobicContact CG-CG1 4.18Å; V16-V43 HydrophobicContact CG2-CG1 4.49Å; V16-V43 HydrophobicContact CG2-CG2 4.34Å; F39-V43 HydrophobicContact CD1-CB 4.43Å; F39-V43 HydrophobicContact CD2-CG2 4.47Å; F39-V43 HydrophobicContact CE1-CB 3.93Å; F39-V43 HydrophobicContact CE1-CG1 4.22Å; F39-V43 HydrophobicContact CE1-CG2 4.15Å; F39-V43 HydrophobicContact CE2-CG2 3.88Å; F39-V43 HydrophobicContact CZ-CB 3.99Å; F39-V43 HydrophobicContact CZ-CG1 4.28Å; F39-V43 HydrophobicContact CZ-CG2 3.7Å; F39-V43 PolarHBondContact O-N 2.99Å; V43-V120 HydrophobicContact CG1-CG1 4.32Å; V43-V120 HydrophobicContact CG2-CG1 3.94Å; V43-I124 HydrophobicContact CG1-CD1 4.19Å; V43-I124 HydrophobicContact CG1-CG1 4.07Å; V43-Y131 PolarHBondContact O-OH 2.82Å
44H90Very high87.4Confident56 Ų5668.8 Ų68.826%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-118.2138-179-63.2-58.2000111.9F14 N15 K17 N40 R46F14-H44 CarbonylContact C-O 3.57Å; F14-H44 VanDerWaalsContact CA-O 3.28Å; F14-H44 WeakPolarHBondContact CA-O 3.5Å; N15-H44 PolarHBondContact N-O 2.91Å; N15-H44 PolarHBondContact O-N 3.4Å; K17-H44 VanDerWaalsContact CE-NE2 3.28Å; K17-H44 WeakPolarHBondContact CE-NE2 3.35Å; K17-H44 PolarHBondContact NZ-NE2 3.48Å; N40-H44 PolarHBondContact O-CE1 3.36Å; N40-H44 PolarHBondContact O-ND1 3.3Å; H44-R46 PolarHBondContact O-N 3.46Å
45L90.6Very high87.7Confident56 Ų5663 Ų6329%0.29334%0.336SS..EExtended strand (participates in β ladder)trans-68.2118.8170.9-178.665.3000109.6F14 A47 Y131F14-L45 HydrophobicContact CD1-CB 4.1Å; F14-L45 HydrophobicContact CD1-CD1 4.23Å; F14-L45 HydrophobicContact CD2-CD1 4.42Å; F14-L45 HydrophobicContact CE1-CB 3.81Å; F14-L45 HydrophobicContact CE1-CD1 3.8Å; F14-L45 HydrophobicContact CE1-CG 4.39Å; F14-L45 HydrophobicContact CE2-CD1 4.01Å; F14-L45 HydrophobicContact CZ-CB 4.5Å; F14-L45 HydrophobicContact CZ-CD1 3.68Å; L45-A47 WeakPolarHBondContact CD1-O 3.2Å; L45-Y131 HydrophobicContact CB-CD1 4.07Å
46R89.2Confident87.9Confident97 Ų9761.9 Ų61.937%0.36633%0.33SS..EExtended strand (participates in β ladder)trans-92.1-45.8176.5179.8175.9-176.8-166.61.7111.6F2 L13 H44 N80 T84F2-R46 VanDerWaalsContact CE1-CD 3.49Å; L13-R46 WeakPolarHBondContact O-CA 3.35Å; L13-R46 WeakPolarHBondContact O-CB 3.42Å; L13-R46 PolarHBondContact O-N 2.93Å; H44-R46 PolarHBondContact O-N 3.46Å; R46-N80 PolarHBondContact NH1-O 2.88Å; R46-N80 PolarHBondContact NH2-O 3.08Å; R46-T84 PolarHBondContact NH1-OG1 3.44Å; R46-T84 PolarHBondContact NH2-OG1 3.44Å
47A90.8Very high88.2Confident14 Ų1459.5 Ų59.512%0.11632%0.32CS..EExtended strand (participates in β ladder)trans-148.6148.7-177.100000111.1S12 L13 L45 F76 N80S12-A47 WeakPolarHBondContact CA-O 3.36Å; L13-A47 HydrophobicContact CB-CB 4.29Å; L13-A47 PolarHBondContact N-O 3.37Å; L13-A47 PolarHBondContact O-N 3.47Å; L45-A47 WeakPolarHBondContact CD1-O 3.2Å; A47-F76 HydrophobicContact CB-CE2 3.89Å; A47-F76 HydrophobicContact CB-CZ 3.96Å; A47-N80 WeakPolarHBondContact CB-OD1 3.31Å
48Y91.2Very high88.4Confident63 Ų6358.8 Ų58.825%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-139.2129.2175.3176.6-109.1000109.2S9 Y11 P50 F128 I135S9-Y48 VanDerWaalsContact CB-OH 3.32Å; S9-Y48 WeakPolarHBondContact CB-OH 3.37Å; S9-Y48 PolarHBondContact O-OH 3.26Å; S9-Y48 VanDerWaalsContact O-OH 3.1Å; S9-Y48 PolarHBondContact OG-OH 2.92Å; Y11-Y48 CarbonylContact O-C 3.46Å; Y11-Y48 WeakPolarHBondContact O-CA 3.43Å; Y11-Y48 WeakPolarHBondContact O-CD2 3.5Å; Y48-P50 HydrophobicContact CE1-CB 3.77Å; Y48-P50 HydrophobicContact CE1-CG 4.17Å; Y48-F128 HydrophobicContact CE2-CZ 4.14Å; Y48-I135 WeakPolarHBondContact OH-CD1 3.39Å
49A91Very high88.7Confident30 Ų3059.2 Ų59.225%0.24831%0.309CS..EExtended strand (participates in β ladder)trans-121.2104.6175.800000108.9G10 Y11 F76G10-A49 CarbonylContact C-O 3.52Å; G10-A49 WeakPolarHBondContact CA-O 3.32Å; Y11-A49 PolarHBondContact N-O 2.96Å; Y11-A49 PolarHBondContact O-N 3.3Å; A49-F76 HydrophobicContact CB-CD2 3.41Å; A49-F76 VanDerWaalsContact CB-CD2 3.41Å; A49-F76 HydrophobicContact CB-CE2 3.62Å; A49-F76 HydrophobicContact CB-CG 4.21Å
50P89.3Confident88.9Confident82 Ų8259.8 Ų59.853%0.53231%0.312SS..EExtended strand (participates in β ladder)trans-70.8150.9175.729.5-32.6000111.4S9 Y48S9-P50 CarbonylContact O-C 3.54Å; S9-P50 VanDerWaalsContact O-CA 3.28Å; S9-P50 WeakPolarHBondContact O-CA 3.4Å; Y48-P50 HydrophobicContact CE1-CB 3.77Å; Y48-P50 HydrophobicContact CE1-CG 4.17Å
51F89.3Confident89.1Confident34 Ų3458.8 Ų58.815%0.14931%0.309CS..  trans-72.9139.4165.2-60.2-53.9000110.3H7 S9 G10 Y11 A57 E60H7-F51 WeakPolarHBondContact O-CE2 3.45Å; S9-F51 VanDerWaalsContact C-CD2 3.45Å; S9-F51 PolarHBondContact O-N 2.86Å; G10-F51 VanDerWaalsContact CA-CE2 3.45Å; G10-F51 VanDerWaalsContact N-CD2 3.28Å; G10-F51 VanDerWaalsContact N-CE2 3.33Å; Y11-F51 HydrophobicContact CD1-CZ 4.45Å; Y11-F51 HydrophobicContact CD2-CE1 4.15Å; Y11-F51 HydrophobicContact CD2-CZ 4.46Å; Y11-F51 HydrophobicContact CE1-CE1 4.48Å; Y11-F51 AromaticContact CE1-CZ 3.99Å; Y11-F51 HydrophobicContact CE1-CZ 3.99Å; Y11-F51 AromaticContact CE2-CE1 3.68Å; Y11-F51 HydrophobicContact CE2-CE1 3.68Å; Y11-F51 HydrophobicContact CE2-CZ 4.03Å; Y11-F51 AromaticContact CZ-CE1 3.88Å; Y11-F51 AromaticContact CZ-CZ 3.79Å; F51-A57 HydrophobicContact CB-CB 3.94Å; F51-A57 HydrophobicContact CD2-CB 3.42Å; F51-A57 VanDerWaalsContact CD2-CB 3.42Å; F51-A57 HydrophobicContact CE2-CB 4.02Å; F51-A57 HydrophobicContact CG-CB 3.73Å; F51-E60 HydrophobicContact CE1-CB 3.98Å; F51-E60 HydrophobicContact CE1-CG 3.95Å; F51-E60 HydrophobicContact CZ-CB 4.21Å
52E85.6Confident89.3Confident175 Ų17558.1 Ų58.182%0.81830%0.297SS*.SBendtrans-78.7-48.2179.1-62.4-171.3170.900111
53N86.3Confident89.5Confident86 Ų8656.8 Ų56.846%0.4629%0.293SS..SBendtrans-119.6161.5179.2-53-63.4000112.4E55 D56 A57N53-E55 VanDerWaalsContact C-N 3.27Å; N53-D56 WeakPolarHBondContact CB-OD2 3.47Å; N53-D56 PolarHBondContact N-OD2 3.15Å; N53-D56 PolarHBondContact ND2-OD2 2.98Å; N53-A57 PolarHBondContact O-N 3.16Å
54V85.7Confident89.6Confident68 Ų6857.3 Ų57.341%0.41230%0.296SS..Hα-helixtrans-72.9-27.4176.5-1710000110.8L58 R150V54-L58 PolarHBondContact O-N 3.05Å; V54-L58 VanDerWaalsContact O-N 3.12Å; V54-R150 VanDerWaalsContact CG1-CZ 3.42Å; V54-R150 VanDerWaalsContact CG1-NH1 3.27Å
55E87.7Confident89.5Confident96 Ų9657 Ų5745%0.44930%0.298SS..Hα-helixtrans-64.7-50.1173.1-67.766.1-140.600110.8N53 A57 L58 E59 R150N53-E55 VanDerWaalsContact C-N 3.27Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 2.86Å; E55-L58 WeakPolarHBondContact O-CB 3.18Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-E59 PolarHBondContact O-N 2.97Å; E55-R150 IonicContact OE1-CZ 3.02Å; E55-R150 IonicContact OE1-NH1 3.56Å; E55-R150 PolarHBondContact OE1-NH1 3.02Å; E55-R150 IonicContact OE1-NH2 2.87Å
56D88.9Confident89.3Confident47 Ų4759.7 Ų59.725%0.25131%0.313SS..Hα-helixtrans-58.8-45.2176.5-54-32.8000110.9N53 L58 E59 E60 L72N53-D56 WeakPolarHBondContact CB-OD2 3.47Å; N53-D56 PolarHBondContact N-OD2 3.15Å; N53-D56 PolarHBondContact ND2-OD2 2.98Å; D56-L58 PolarHBondContact O-N 3.01Å; D56-E59 PolarHBondContact O-N 3.3Å; D56-E60 VanDerWaalsContact O-CB 3.24Å; D56-E60 WeakPolarHBondContact O-CB 3.4Å; D56-E60 WeakPolarHBondContact O-CG 3.41Å; D56-E60 PolarHBondContact O-N 2.82Å; D56-L72 HydrophobicContact CB-CD1 4.37Å
57A90.5Very high89.3Confident5 Ų555.5 Ų55.54%0.04130%0.299CS..Hα-helixtrans-58.5-35.3176.300000112.8F51 N53 E55 C61 L147F51-A57 HydrophobicContact CB-CB 3.94Å; F51-A57 HydrophobicContact CD2-CB 3.42Å; F51-A57 VanDerWaalsContact CD2-CB 3.42Å; F51-A57 HydrophobicContact CE2-CB 4.02Å; F51-A57 HydrophobicContact CG-CB 3.73Å; N53-A57 PolarHBondContact O-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 2.86Å; A57-C61 WeakPolarHBondContact O-CB 3.47Å; A57-C61 PolarHBondContact O-N 2.97Å; A57-C61 VanDerWaalsContact O-N 3.12Å; A57-L147 HydrophobicContact CB-CD1 4.21Å
58L90.5Very high89.3Confident32 Ų3259.8 Ų59.817%0.16832%0.32CS..Hα-helixtrans-72.5-47.3178.1178.465000111.7V54 E55 D56 C61 L62 L147 R150 L151 A154V54-L58 PolarHBondContact O-N 3.05Å; V54-L58 VanDerWaalsContact O-N 3.12Å; E55-L58 WeakPolarHBondContact O-CB 3.18Å; E55-L58 PolarHBondContact O-N 3.02Å; D56-L58 PolarHBondContact O-N 3.01Å; L58-C61 PolarHBondContact O-N 3.37Å; L58-L62 HydrophobicContact CD1-CD1 4.23Å; L58-L62 HydrophobicContact CD1-CG 4.3Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.28Å; L58-L62 PolarHBondContact O-N 3.2Å; L58-L147 HydrophobicContact CB-CD1 4.16Å; L58-L147 HydrophobicContact CD1-CD1 4.31Å; L58-R150 HydrophobicContact CD1-CB 3.95Å; L58-R150 HydrophobicContact CD2-CB 4.13Å; L58-L151 HydrophobicContact CD1-CB 4.07Å; L58-A154 HydrophobicContact CD1-CB 4.46Å
59E90.5Very high89.3Confident136 Ų13658.2 Ų58.264%0.63632%0.316SS*.Hα-helixtrans-61.1-46.6179.6-70.1-174177.800111.4E55 D56 C61 L62 A63E55-E59 PolarHBondContact O-N 2.97Å; D56-E59 PolarHBondContact O-N 3.3Å; E59-C61 PolarHBondContact O-N 3.45Å; E59-L62 PolarHBondContact O-N 3.33Å; E59-A63 WeakPolarHBondContact O-CB 3.46Å; E59-A63 PolarHBondContact O-N 3.44Å
60E91.8Very high89.4Confident13 Ų1357.1 Ų57.16%0.06131%0.306CS..Hα-helixtrans-59.3-45.1175.3-72.3-75147.700111.9Y11 F51 D56 L62 A63 I64 P70 L72Y11-E60 VanDerWaalsContact CE2-OE2 3.28Å; Y11-E60 WeakPolarHBondContact CE2-OE2 3.32Å; Y11-E60 WeakPolarHBondContact OH-CB 3.28Å; Y11-E60 PolarHBondContact OH-OE2 3.42Å; F51-E60 HydrophobicContact CE1-CB 3.98Å; F51-E60 HydrophobicContact CE1-CG 3.95Å; F51-E60 HydrophobicContact CZ-CB 4.21Å; D56-E60 VanDerWaalsContact O-CB 3.24Å; D56-E60 WeakPolarHBondContact O-CB 3.4Å; D56-E60 WeakPolarHBondContact O-CG 3.41Å; D56-E60 PolarHBondContact O-N 2.82Å; E60-L62 PolarHBondContact O-N 2.88Å; E60-A63 PolarHBondContact O-N 3.41Å; E60-I64 WeakPolarHBondContact O-CB 3.4Å; E60-I64 WeakPolarHBondContact O-CG1 3.17Å; E60-I64 PolarHBondContact O-N 3.33Å; E60-P70 VanDerWaalsContact CD-CB 3.48Å; E60-P70 WeakPolarHBondContact OE1-CB 3.21Å; E60-P70 VanDerWaalsContact OE2-CB 3.3Å; E60-P70 WeakPolarHBondContact OE2-CB 3.38Å; E60-P70 WeakPolarHBondContact OE2-CG 3.4Å; E60-L72 HydrophobicContact CG-CD1 3.94Å; E60-L72 WeakPolarHBondContact OE1-CB 3.42Å; E60-L72 VanDerWaalsContact OE1-CG 3.31Å; E60-L72 WeakPolarHBondContact OE1-CG 3.33Å; E60-L72 PolarHBondContact OE1-N 2.8Å
61C90.8Very high89.4Confident37 Ų3758.1 Ų58.125%0.2531%0.313CS..Hα-helixtrans-70-31.8179.8-164.70000113.1A57 L58 E59 T65 L147 L151A57-C61 WeakPolarHBondContact O-CB 3.47Å; A57-C61 PolarHBondContact O-N 2.97Å; A57-C61 VanDerWaalsContact O-N 3.12Å; L58-C61 PolarHBondContact O-N 3.37Å; E59-C61 PolarHBondContact O-N 3.45Å; C61-T65 PolarHBondContact O-N 3.34Å; C61-T65 PolarHBondContact O-OG1 2.86Å; C61-L147 HydrophobicContact CB-CD2 4.44Å; C61-L151 HydrophobicContact CB-CD1 4.08Å; C61-L151 WeakPolarHBondContact SG-CD1 3.32Å
62L90.3Very high89.5Confident42 Ų4260.3 Ų60.322%0.2233%0.326CS..Hα-helixtrans-67.4-47.4171.7-73.9170.3000110.9L58 E59 E60 I64 T65 D66 A154 K155L58-L62 HydrophobicContact CD1-CD1 4.23Å; L58-L62 HydrophobicContact CD1-CG 4.3Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.28Å; L58-L62 PolarHBondContact O-N 3.2Å; E59-L62 PolarHBondContact O-N 3.33Å; E60-L62 PolarHBondContact O-N 2.88Å; L62-I64 VanDerWaalsContact C-N 3.34Å; L62-I64 PolarHBondContact O-N 2.86Å; L62-T65 WeakPolarHBondContact O-CB 3.45Å; L62-T65 PolarHBondContact O-N 2.86Å; L62-T65 VanDerWaalsContact O-N 3.15Å; L62-D66 PolarHBondContact O-N 2.9Å; L62-D66 VanDerWaalsContact O-N 3.12Å; L62-A154 HydrophobicContact CD1-CB 3.97Å; L62-A154 HydrophobicContact CD2-CB 4.07Å; L62-K155 HydrophobicContact CD2-CG 4.34Å
63A90.7Very high89.9Confident20 Ų2052 Ų5217%0.16529%0.287CS..Hα-helixtrans-58.6-44.7177.300000112E59 E60 T65 D66 G67 L68 P70E59-A63 WeakPolarHBondContact O-CB 3.46Å; E59-A63 PolarHBondContact O-N 3.44Å; E60-A63 PolarHBondContact O-N 3.41Å; A63-T65 PolarHBondContact O-N 2.77Å; A63-D66 CarbonylContact O-C 3.43Å; A63-D66 PolarHBondContact O-N 3.17Å; A63-G67 PolarHBondContact O-N 2.94Å; A63-L68 HydrophobicContact CB-CB 4.33Å; A63-L68 WeakPolarHBondContact O-CB 3.34Å; A63-L68 PolarHBondContact O-N 3.37Å; A63-P70 HydrophobicContact CB-CB 3.85Å; A63-P70 HydrophobicContact CB-CG 4.17Å
64I91.1Very high90.1Very high14 Ų1450 Ų507%0.07228%0.276CS..Hα-helixtrans-61.8-42.7175.6-75.4172.7000111.9E6 Y11 E60 L62 D66 G67 P70 L73 L98E6-I64 HydrophobicContact CG-CD1 3.93Å; E6-I64 WeakPolarHBondContact OE2-CG2 3.35Å; Y11-I64 HydrophobicContact CE1-CD1 3.43Å; Y11-I64 VanDerWaalsContact CE1-CD1 3.43Å; Y11-I64 WeakPolarHBondContact OH-CD1 3.42Å; E60-I64 WeakPolarHBondContact O-CB 3.4Å; E60-I64 WeakPolarHBondContact O-CG1 3.17Å; E60-I64 PolarHBondContact O-N 3.33Å; L62-I64 VanDerWaalsContact C-N 3.34Å; L62-I64 PolarHBondContact O-N 2.86Å; I64-D66 PolarHBondContact O-N 3.05Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.81Å; I64-P70 HydrophobicContact CG1-CG 4.37Å; I64-L73 HydrophobicContact CD1-CD2 4.34Å; I64-L98 HydrophobicContact CG2-CD2 4.45Å
65T87.6Confident90.4Very high50 Ų5049.6 Ų49.631%0.30728%0.276SS..Hα-helixtrans-56.6-39.7176.2-630000110.9C61 L62 A63 G67 K155C61-T65 PolarHBondContact O-N 3.34Å; C61-T65 PolarHBondContact O-OG1 2.86Å; L62-T65 WeakPolarHBondContact O-CB 3.45Å; L62-T65 PolarHBondContact O-N 2.86Å; L62-T65 VanDerWaalsContact O-N 3.15Å; A63-T65 PolarHBondContact O-N 2.77Å; T65-G67 PolarHBondContact O-N 2.81Å; T65-K155 PolarHBondContact OG1-NZ 2.93Å
66D85.9Confident90.6Very high113 Ų11345.7 Ų45.760%0.60426%0.258SS*.THydrogen-bonded Turntrans-79.4-0.8179.5-67.8-24.3000112.7L62 A63 I64 L68L62-D66 PolarHBondContact O-N 2.9Å; L62-D66 VanDerWaalsContact O-N 3.12Å; A63-D66 CarbonylContact O-C 3.43Å; A63-D66 PolarHBondContact O-N 3.17Å; I64-D66 PolarHBondContact O-N 3.05Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 HydrophobicContact CB-CD1 4.3Å; D66-L68 HydrophobicContact CB-CG 4.25Å
67G89.2Confident90.7Very high8 Ų843.6 Ų43.68%0.08225%0.246CC..THydrogen-bonded Turntrans75.818.2-179.800000113.6A63 I64 T65 A101A63-G67 PolarHBondContact O-N 2.94Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.81Å; T65-G67 PolarHBondContact O-N 2.81Å; G67-A101 VanDerWaalsContact O-CB 3.32Å; G67-A101 WeakPolarHBondContact O-CB 3.32Å
68L91Very high90.6Very high104 Ų10447.3 Ų47.355%0.54526%0.263SS..  trans-87.6153.3177.4-58.8174.8000110.2A63 D66 P70 L98A63-L68 HydrophobicContact CB-CB 4.33Å; A63-L68 WeakPolarHBondContact O-CB 3.34Å; A63-L68 PolarHBondContact O-N 3.37Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 HydrophobicContact CB-CD1 4.3Å; D66-L68 HydrophobicContact CB-CG 4.25Å; L68-P70 WeakPolarHBondContact O-CD 3.44Å; L68-L98 WeakPolarHBondContact O-CD1 3.45Å
69L91.7Very high90.6Very high30 Ų3054.1 Ų54.116%0.15729%0.291CS..  trans-95.2102.2173.1179.861.8000109.5L73 L74 L77 A101 I102 Q105 F106L69-L73 HydrophobicContact CD1-CB 3.87Å; L69-L73 HydrophobicContact CD1-CD2 3.62Å; L69-L73 HydrophobicContact CD1-CG 3.55Å; L69-L74 HydrophobicContact CD2-CB 4.09Å; L69-L74 HydrophobicContact CD2-CD1 4.07Å; L69-L74 HydrophobicContact CD2-CG 4.25Å; L69-L74 HydrophobicContact CG-CB 4.12Å; L69-L77 HydrophobicContact CD1-CD1 4.15Å; L69-A101 HydrophobicContact CB-CB 4.27Å; L69-I102 HydrophobicContact CD1-CG1 3.98Å; L69-I102 HydrophobicContact CD2-CG1 4.44Å; L69-Q105 HydrophobicContact CD2-CB 4.11Å; L69-Q105 HydrophobicContact CD2-CG 3.97Å; L69-F106 HydrophobicContact CD2-CE2 4.1Å
70P92.2Very high90.4Very high8 Ų848.9 Ų48.95%0.05227%0.267CS..  trans-74.6159.9-179.632-38.9000112.9E60 A63 I64 L68 L72 L73 L74E60-P70 VanDerWaalsContact CD-CB 3.48Å; E60-P70 WeakPolarHBondContact OE1-CB 3.21Å; E60-P70 VanDerWaalsContact OE2-CB 3.3Å; E60-P70 WeakPolarHBondContact OE2-CB 3.38Å; E60-P70 WeakPolarHBondContact OE2-CG 3.4Å; A63-P70 HydrophobicContact CB-CB 3.85Å; A63-P70 HydrophobicContact CB-CG 4.17Å; I64-P70 HydrophobicContact CG1-CG 4.37Å; L68-P70 WeakPolarHBondContact O-CD 3.44Å; P70-L72 PolarHBondContact O-N 2.97Å; P70-L73 HydrophobicContact CG-CB 3.83Å; P70-L73 PolarHBondContact O-N 2.95Å; P70-L74 PolarHBondContact O-N 2.9Å
71P90.8Very high90Very high103 Ų10348.5 Ų48.567%0.66927%0.266SS*.Hα-helixtrans-61.1-37-172.8-24.434.7000115.1L74 S75P71-L74 PolarHBondContact O-N 3.48Å; P71-S75 PolarHBondContact O-N 2.95Å; P71-S75 PolarHBondContact O-OG 3.13Å; P71-S75 VanDerWaalsContact O-OG 3.13Å
72L91.5Very high89.1Confident80 Ų8051.8 Ų51.842%0.41928%0.28SS..Hα-helixtrans-69.5-38.8178.2-61.8174.2000110.9D56 E60 P70 S75 F76D56-L72 HydrophobicContact CB-CD1 4.37Å; E60-L72 HydrophobicContact CG-CD1 3.94Å; E60-L72 WeakPolarHBondContact OE1-CB 3.42Å; E60-L72 VanDerWaalsContact OE1-CG 3.31Å; E60-L72 WeakPolarHBondContact OE1-CG 3.33Å; E60-L72 PolarHBondContact OE1-N 2.8Å; P70-L72 PolarHBondContact O-N 2.97Å; L72-S75 PolarHBondContact O-OG 3.43Å; L72-F76 VanDerWaalsContact O-CB 3.25Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 PolarHBondContact O-N 2.95Å
73L92.6Very high87.7Confident0 Ų053 Ų530%030%0.303CS..Hα-helixtrans-66.8-40.8174.6-175.655.6000111.7L4 Y11 I64 L69 P70 F76 L77 L98L4-L73 HydrophobicContact CD1-CD1 3.86Å; L4-L73 HydrophobicContact CD2-CD1 3.97Å; L4-L73 HydrophobicContact CD2-CD2 4.13Å; Y11-L73 HydrophobicContact CD1-CD1 4.06Å; Y11-L73 HydrophobicContact CD2-CB 4.23Å; Y11-L73 HydrophobicContact CD2-CD1 3.92Å; Y11-L73 HydrophobicContact CE1-CD1 4.28Å; Y11-L73 HydrophobicContact CE2-CB 3.67Å; Y11-L73 HydrophobicContact CE2-CD1 4.1Å; Y11-L73 HydrophobicContact CE2-CG 4.39Å; Y11-L73 HydrophobicContact CG-CD1 3.88Å; I64-L73 HydrophobicContact CD1-CD2 4.34Å; L69-L73 HydrophobicContact CD1-CB 3.87Å; L69-L73 HydrophobicContact CD1-CD2 3.62Å; L69-L73 HydrophobicContact CD1-CG 3.55Å; P70-L73 HydrophobicContact CG-CB 3.83Å; P70-L73 PolarHBondContact O-N 2.95Å; L73-F76 HydrophobicContact CD1-CD1 4.19Å; L73-F76 PolarHBondContact O-N 3.38Å; L73-L77 HydrophobicContact CD1-CD1 4.23Å; L73-L77 HydrophobicContact CD1-CD2 4.44Å; L73-L77 HydrophobicContact CD1-CG 4.06Å; L73-L77 HydrophobicContact CG-CD1 4.1Å; L73-L77 HydrophobicContact CG-CG 4.36Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.15Å; L73-L77 PolarHBondContact O-N 2.76Å; L73-L98 HydrophobicContact CD2-CD1 4.08Å; L73-L98 HydrophobicContact CD2-CD2 4.21Å
74L91.7Very high86.2Confident44 Ų4453.7 Ų53.723%0.2331%0.305CS..Hα-helixtrans-57.2-55176-175.9149.5000111L69 P70 P71 F76 L77 E78 F106L69-L74 HydrophobicContact CD2-CB 4.09Å; L69-L74 HydrophobicContact CD2-CD1 4.07Å; L69-L74 HydrophobicContact CD2-CG 4.25Å; L69-L74 HydrophobicContact CG-CB 4.12Å; P70-L74 PolarHBondContact O-N 2.9Å; P71-L74 PolarHBondContact O-N 3.48Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 3.41Å; L74-L77 PolarHBondContact O-N 3.1Å; L74-L77 VanDerWaalsContact O-N 3.12Å; L74-E78 VanDerWaalsContact CD2-CD 3.47Å; L74-E78 HydrophobicContact CD2-CG 4.18Å; L74-E78 WeakPolarHBondContact CD2-OE1 3.49Å; L74-E78 WeakPolarHBondContact O-CG 3.48Å; L74-E78 PolarHBondContact O-N 3.17Å; L74-F106 HydrophobicContact CG-CZ 4.16Å
75S91.6Very high84.6Confident60 Ų6061.3 Ų61.342%0.4235%0.346SS..Hα-helixtrans-61.9-34.9179.360.60000112.7P71 L72 K79P71-S75 PolarHBondContact O-N 2.95Å; P71-S75 PolarHBondContact O-OG 3.13Å; P71-S75 VanDerWaalsContact O-OG 3.13Å; L72-S75 PolarHBondContact O-OG 3.43Å; S75-K79 WeakPolarHBondContact O-CB 3.43Å; S75-K79 PolarHBondContact O-N 2.88Å; S75-K79 VanDerWaalsContact O-N 3.13Å
76F92.1Very high83.2Confident14 Ų1466 Ų666%0.06136%0.362CS..Hα-helixtrans-64.8-43.3173.8178.1-108.8000112.5L4 L13 A47 A49 L72 L73 L74 N80L4-F76 HydrophobicContact CD1-CE1 4.24Å; L13-F76 HydrophobicContact CB-CE1 4Å; L13-F76 HydrophobicContact CB-CZ 3.88Å; A47-F76 HydrophobicContact CB-CE2 3.89Å; A47-F76 HydrophobicContact CB-CZ 3.96Å; A49-F76 HydrophobicContact CB-CD2 3.41Å; A49-F76 VanDerWaalsContact CB-CD2 3.41Å; A49-F76 HydrophobicContact CB-CE2 3.62Å; A49-F76 HydrophobicContact CB-CG 4.21Å; L72-F76 VanDerWaalsContact O-CB 3.25Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 PolarHBondContact O-N 2.95Å; L73-F76 HydrophobicContact CD1-CD1 4.19Å; L73-F76 PolarHBondContact O-N 3.38Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 3.41Å; F76-N80 VanDerWaalsContact CD2-ND2 3.31Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.31Å; F76-N80 VanDerWaalsContact CE2-ND2 3.29Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.34Å; F76-N80 WeakPolarHBondContact O-CB 3.29Å; F76-N80 PolarHBondContact O-N 2.94Å; F76-N80 PolarHBondContact O-ND2 2.91Å
77L90.9Very high81.9Confident2 Ų270.9 Ų70.91%0.0138%0.378CS..Hα-helixtrans-70-42.7178.7-67.9176.3000111.5L4 L69 L73 L74 K79 N80 L81 L91 I102 F106L4-L77 HydrophobicContact CD1-CD2 4.41Å; L69-L77 HydrophobicContact CD1-CD1 4.15Å; L73-L77 HydrophobicContact CD1-CD1 4.23Å; L73-L77 HydrophobicContact CD1-CD2 4.44Å; L73-L77 HydrophobicContact CD1-CG 4.06Å; L73-L77 HydrophobicContact CG-CD1 4.1Å; L73-L77 HydrophobicContact CG-CG 4.36Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.15Å; L73-L77 PolarHBondContact O-N 2.76Å; L74-L77 PolarHBondContact O-N 3.1Å; L74-L77 VanDerWaalsContact O-N 3.12Å; L77-K79 PolarHBondContact O-N 2.86Å; L77-N80 PolarHBondContact O-N 2.72Å; L77-L81 HydrophobicContact CB-CD1 4.35Å; L77-L81 HydrophobicContact CD2-CD1 3.74Å; L77-L81 VanDerWaalsContact O-CB 3.28Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.25Å; L77-L91 HydrophobicContact CD2-CD2 4.28Å; L77-I102 HydrophobicContact CD1-CD1 3.78Å; L77-I102 HydrophobicContact CD1-CG1 3.84Å; L77-I102 HydrophobicContact CD1-CG2 4.06Å; L77-F106 HydrophobicContact CB-CE2 4.35Å
78E88.5Confident80.9Confident83 Ų8374.6 Ų74.639%0.38840%0.403SS..Hα-helixtrans-55.9-52.2176.4-73.7-175.7161.100111.5L74 N80 L82 F106L74-E78 VanDerWaalsContact CD2-CD 3.47Å; L74-E78 HydrophobicContact CD2-CG 4.18Å; L74-E78 WeakPolarHBondContact CD2-OE1 3.49Å; L74-E78 WeakPolarHBondContact O-CG 3.48Å; L74-E78 PolarHBondContact O-N 3.17Å; E78-N80 PolarHBondContact O-N 2.89Å; E78-L82 HydrophobicContact CB-CD1 3.99Å; E78-L82 HydrophobicContact CG-CD1 3.87Å; E78-L82 WeakPolarHBondContact O-CB 3.26Å; E78-L82 PolarHBondContact O-N 3.45Å; E78-F106 HydrophobicContact CG-CE1 3.51Å; E78-F106 HydrophobicContact CG-CZ 3.39Å
79K89.4Confident80.6Confident175 Ų17570.2 Ų70.276%0.76138%0.38SS*.Hα-helixtrans-59.7-34.5-178.4-176.3175.8179.8176.70112.9S75 L77S75-K79 WeakPolarHBondContact O-CB 3.43Å; S75-K79 PolarHBondContact O-N 2.88Å; S75-K79 VanDerWaalsContact O-N 3.13Å; L77-K79 PolarHBondContact O-N 2.86Å
80N87.2Confident80.4Confident27 Ų2770.6 Ų70.614%0.14438%0.384CS..Hα-helixtrans-102.5-22.2-170.7-68.8-67.4000114.4L13 R46 A47 F76 L77 E78L13-N80 HydrophobicContact CD2-CB 3.74Å; R46-N80 PolarHBondContact NH1-O 2.88Å; R46-N80 PolarHBondContact NH2-O 3.08Å; A47-N80 WeakPolarHBondContact CB-OD1 3.31Å; F76-N80 VanDerWaalsContact CD2-ND2 3.31Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.31Å; F76-N80 VanDerWaalsContact CE2-ND2 3.29Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.34Å; F76-N80 WeakPolarHBondContact O-CB 3.29Å; F76-N80 PolarHBondContact O-N 2.94Å; F76-N80 PolarHBondContact O-ND2 2.91Å; L77-N80 PolarHBondContact O-N 2.72Å; E78-N80 PolarHBondContact O-N 2.89Å
81L82.7Confident80.4Confident4 Ų470.2 Ų70.22%0.02138%0.381CS..Hα-helixtrans-108-37.5-174.7-61.4179.8000113.2F2 L13 L77 G83 T84 V89 L91 I109F2-L81 HydrophobicContact CB-CD2 4.34Å; F2-L81 HydrophobicContact CD2-CD2 3.65Å; F2-L81 HydrophobicContact CE2-CD2 4.16Å; F2-L81 HydrophobicContact CG-CD2 3.93Å; L13-L81 HydrophobicContact CD1-CD2 4.4Å; L13-L81 HydrophobicContact CD2-CD2 3.68Å; L13-L81 HydrophobicContact CD2-CG 4.3Å; L77-L81 HydrophobicContact CB-CD1 4.35Å; L77-L81 HydrophobicContact CD2-CD1 3.74Å; L77-L81 VanDerWaalsContact O-CB 3.28Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.25Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.76Å; L81-T84 PolarHBondContact O-N 2.95Å; L81-T84 PolarHBondContact O-OG1 3.38Å; L81-V89 HydrophobicContact CD2-CG1 4.13Å; L81-L91 HydrophobicContact CD1-CD1 4.28Å; L81-L91 HydrophobicContact CD1-CD2 4.15Å; L81-I109 HydrophobicContact CB-CD1 4.1Å; L81-I109 HydrophobicContact CD1-CD1 3.65Å
82L71.6Confident80.4Confident107 Ų10765.3 Ų65.356%0.5635%0.35SS*.THydrogen-bonded Turntrans-72.7-20-176.8-65.7174.7000114E78 T84 F106E78-L82 HydrophobicContact CB-CD1 3.99Å; E78-L82 HydrophobicContact CG-CD1 3.87Å; E78-L82 WeakPolarHBondContact O-CB 3.26Å; E78-L82 PolarHBondContact O-N 3.45Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 2.84Å; L82-F106 HydrophobicContact CD1-CD1 4.4Å; L82-F106 HydrophobicContact CD1-CE1 4.06Å; L82-F106 HydrophobicContact CD2-CD1 4.24Å
83G61.5Low80.5Confident68 Ų6861.5 Ų61.570%0.70133%0.33SS*.THydrogen-bonded Turntrans-87.616.4176.500000115.3L81L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.76Å
84T60.4Low80.3Confident34 Ų3463.9 Ų63.921%0.20935%0.354CS..SBendtrans-100.7127.4-176.6-33.40000109.5R46 L81 L82 K86R46-T84 PolarHBondContact NH1-OG1 3.44Å; R46-T84 PolarHBondContact NH2-OG1 3.44Å; L81-T84 PolarHBondContact O-N 2.95Å; L81-T84 PolarHBondContact O-OG1 3.38Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 2.84Å; T84-K86 PolarHBondContact O-N 2.83Å
85D56.3Low80.2Confident173 Ų17364 Ų6493%0.92536%0.355SS*.SBendtrans-58.10.7-178.2-63.2-43.1000115.9
86K57.8Low80.2Confident149 Ų14963.9 Ų63.965%0.64835%0.353SS*.  trans-89.1119.4-177.2-67.7-171176.4-172.20110.6T84 S88 V89T84-K86 PolarHBondContact O-N 2.83Å; K86-S88 PolarHBondContact O-N 2.87Å; K86-V89 HydrophobicContact CB-CG2 4.38Å
87K59.1Low80.2Confident215 Ų21569.2 Ų69.294%0.93538%0.376SS*.SBendtrans-54.7-22.1176.8-69.8-177.5177.4179.40115
88S69Low80.2Confident87 Ų8769.1 Ų69.161%0.60838%0.376SS*.SBendtrans-143131.9171.5620000109.8K86K86-S88 PolarHBondContact O-N 2.87Å
89V83.7Confident80.3Confident11 Ų1165.4 Ų65.47%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-114.8127.3-177.6178.30000108.9F2 L81 K86 A108 I109 K110F2-V89 HydrophobicContact CD2-CG1 3.36Å; F2-V89 HydrophobicContact CE2-CG1 3.57Å; L81-V89 HydrophobicContact CD2-CG1 4.13Å; K86-V89 HydrophobicContact CB-CG2 4.38Å; V89-A108 PolarHBondContact N-O 3.22Å; V89-I109 WeakPolarHBondContact O-CA 3.28Å; V89-K110 PolarHBondContact O-N 3.31Å
90T88.4Confident80.4Confident38 Ų3863.8 Ų63.823%0.23336%0.355CS..EExtended strand (participates in β ladder)trans-95.1125.3175.3-46.90000110.3M1 F2 K110 L112M1-T90 HydrophobicContact CG-CG2 3.92Å; M1-T90 HydrophobicContact SD-CG2 3.82Å; F2-T90 PolarHBondContact N-O 2.84Å; T90-K110 CarbonylContact C-O 3.52Å; T90-K110 WeakPolarHBondContact CA-O 3.28Å; T90-L112 HydrophobicContact CG2-CD1 3.26Å; T90-L112 HydrophobicContact CG2-CG 3.79Å
91L90.8Very high80.6Confident0 Ų063.6 Ų63.60%036%0.357CS..EExtended strand (participates in β ladder)trans-118.7120.1179.9-177.566.8000110.3F2 L4 L13 L77 L81 V93 I102 I109 K110 C111 L112F2-L91 HydrophobicContact CB-CD1 3.84Å; F2-L91 CarbonylContact O-C 3.58Å; F2-L91 WeakPolarHBondContact O-CA 3.49Å; L4-L91 HydrophobicContact CB-CD1 4.14Å; L13-L91 HydrophobicContact CD1-CD1 3.75Å; L77-L91 HydrophobicContact CD2-CD2 4.28Å; L81-L91 HydrophobicContact CD1-CD1 4.28Å; L81-L91 HydrophobicContact CD1-CD2 4.15Å; L91-V93 HydrophobicContact CD2-CG1 4.06Å; L91-V93 HydrophobicContact CG-CG1 4.08Å; L91-I102 HydrophobicContact CD2-CD1 4.19Å; L91-I102 HydrophobicContact CD2-CG2 4.12Å; L91-I109 HydrophobicContact CB-CG2 3.6Å; L91-I109 HydrophobicContact CD2-CG2 4.18Å; L91-K110 PolarHBondContact N-O 3.35Å; L91-C111 CarbonylContact O-C 3.54Å; L91-C111 VanDerWaalsContact O-CA 3.24Å; L91-C111 WeakPolarHBondContact O-CA 3.14Å; L91-L112 PolarHBondContact O-N 2.98Å
92G92.2Very high81.1Confident0 Ų063.4 Ų63.40%036%0.356CS..EExtended strand (participates in β ladder)trans-82.2130.5168.900000111F2 I3 L4 L112F2-G92 PolarHBondContact O-N 3.07Å; I3-G92 WeakPolarHBondContact CA-O 3.41Å; L4-G92 PolarHBondContact N-O 3Å; G92-L112 CarbonylContact C-O 3.38Å; G92-L112 WeakPolarHBondContact CA-O 3.24Å
93V93Very high81.9Confident1 Ų160.3 Ų60.31%0.00634%0.343CS..  trans-127.5150178.4-63.90000110.1L4 L91 D95 I102 L112 H113L4-V93 HydrophobicContact CB-CG1 4.45Å; L91-V93 HydrophobicContact CD2-CG1 4.06Å; L91-V93 HydrophobicContact CG-CG1 4.08Å; V93-D95 WeakPolarHBondContact CG2-O 2.93Å; V93-I102 HydrophobicContact CG1-CD1 4.11Å; V93-L112 PolarHBondContact N-O 3.02Å; V93-H113 HydrophobicContact CG2-CB 4.35Å
94G88.8Confident83.2Confident50 Ų5060.9 Ų60.952%0.51534%0.341SS..SBendtrans-77.4-37.9178.400000113.6
95D90Very high84.5Confident47 Ų4765.2 Ų65.225%0.25136%0.359SS..  trans-104.4123.5178.8-169.8-24.1000110.9V93 K97 L98 G99V93-D95 WeakPolarHBondContact CG2-O 2.93Å; D95-K97 VanDerWaalsContact C-N 3.27Å; D95-K97 PolarHBondContact O-N 3.32Å; D95-K97 WeakPolarHBondContact OD1-CB 3.18Å; D95-K97 PolarHBondContact OD1-N 3.24Å; D95-L98 HydrophobicContact CB-CB 4.15Å; D95-L98 PolarHBondContact O-N 2.83Å; D95-G99 PolarHBondContact O-N 2.88Å; D95-G99 VanDerWaalsContact O-N 3.11Å
96P90.7Very high86Confident56 Ų5657.6 Ų57.636%0.36432%0.318SS..Hα-helixtrans-59.8-32.4175.524.7-35.2000113.7G99 Q100P96-G99 PolarHBondContact O-N 2.76Å; P96-Q100 WeakPolarHBondContact O-CG 3.08Å; P96-Q100 PolarHBondContact O-N 2.79Å
97K91.8Very high87.2Confident127 Ų12756.1 Ų56.155%0.55232%0.323SS*.Hα-helixtrans-66.9-45.6179.4-67.6-177.9178.9179.30111.4D95 G99 Q100 A101D95-K97 VanDerWaalsContact C-N 3.27Å; D95-K97 PolarHBondContact O-N 3.32Å; D95-K97 WeakPolarHBondContact OD1-CB 3.18Å; D95-K97 PolarHBondContact OD1-N 3.24Å; K97-G99 VanDerWaalsContact C-N 3.25Å; K97-G99 PolarHBondContact O-N 3.44Å; K97-Q100 WeakPolarHBondContact O-CB 3.28Å; K97-Q100 PolarHBondContact O-N 3.32Å; K97-Q100 VanDerWaalsContact O-N 3.12Å; K97-A101 PolarHBondContact O-N 3.14Å
98L91.5Very high88.4Confident0 Ų048.8 Ų48.80%030%0.303CS..Hα-helixtrans-60.3-40174-178.365.5000110.9L4 E6 I64 L68 L73 D95 Q100 A101 I102L4-L98 HydrophobicContact CD2-CD2 4.19Å; E6-L98 WeakPolarHBondContact OE1-CD2 3.37Å; I64-L98 HydrophobicContact CG2-CD2 4.45Å; L68-L98 WeakPolarHBondContact O-CD1 3.45Å; L73-L98 HydrophobicContact CD2-CD1 4.08Å; L73-L98 HydrophobicContact CD2-CD2 4.21Å; D95-L98 HydrophobicContact CB-CB 4.15Å; D95-L98 PolarHBondContact O-N 2.83Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.3Å; L98-A101 PolarHBondContact O-N 3.02Å; L98-I102 HydrophobicContact CD1-CD1 4.33Å; L98-I102 HydrophobicContact CD1-CG1 4.45Å; L98-I102 HydrophobicContact CD2-CD1 4.4Å; L98-I102 HydrophobicContact CG-CD1 3.89Å; L98-I102 HydrophobicContact CG-CG1 4.43Å; L98-I102 WeakPolarHBondContact O-CG1 3.28Å; L98-I102 PolarHBondContact O-N 2.92Å
99G91.3Very high89.1Confident5 Ų545.1 Ų45.15%0.05228%0.276CS..Hα-helixtrans-56.2-42.7173.400000113.5D95 P96 K97 I102 S103 C111D95-G99 PolarHBondContact O-N 2.88Å; D95-G99 VanDerWaalsContact O-N 3.11Å; P96-G99 PolarHBondContact O-N 2.76Å; K97-G99 VanDerWaalsContact C-N 3.25Å; K97-G99 PolarHBondContact O-N 3.44Å; G99-I102 PolarHBondContact O-N 3.49Å; G99-S103 WeakPolarHBondContact O-CB 3.41Å; G99-S103 PolarHBondContact O-N 2.92Å; G99-S103 PolarHBondContact O-OG 3.11Å; G99-C111 PolarHBondContact O-SG 2.99Å
100Q91.4Very high89.3Confident141 Ų14151 Ų5166%0.65930%0.301SS*.Hα-helixtrans-64.9-43.7175.5-68.9174.68.900111.8P96 K97 L98 I102 S103 A104P96-Q100 WeakPolarHBondContact O-CG 3.08Å; P96-Q100 PolarHBondContact O-N 2.79Å; K97-Q100 WeakPolarHBondContact O-CB 3.28Å; K97-Q100 PolarHBondContact O-N 3.32Å; K97-Q100 VanDerWaalsContact O-N 3.12Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.3Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; Q100-I102 PolarHBondContact O-N 3.39Å; Q100-S103 PolarHBondContact O-N 3.39Å; Q100-A104 WeakPolarHBondContact O-CB 3.29Å; Q100-A104 PolarHBondContact O-N 3.27Å
101A91.4Very high89.4Confident23 Ų2350.3 Ų50.319%0.1930%0.298CS..Hα-helixtrans-62.2-40.4177.100000112.3G67 L69 K97 L98 A104 Q105G67-A101 VanDerWaalsContact O-CB 3.32Å; G67-A101 WeakPolarHBondContact O-CB 3.32Å; L69-A101 HydrophobicContact CB-CB 4.27Å; K97-A101 PolarHBondContact O-N 3.14Å; L98-A101 PolarHBondContact O-N 3.02Å; A101-A104 PolarHBondContact O-N 3.24Å; A101-Q105 PolarHBondContact O-N 2.95Å
102I91.6Very high89.3Confident0 Ų051.8 Ų51.80%031%0.305CS..Hα-helixtrans-65.7-46.7175.2-67.3167.2000110.8L4 L69 L77 L91 V93 L98 G99 Q100 A104 Q105 F106 I109L4-I102 HydrophobicContact CD2-CD1 4.14Å; L69-I102 HydrophobicContact CD1-CG1 3.98Å; L69-I102 HydrophobicContact CD2-CG1 4.44Å; L77-I102 HydrophobicContact CD1-CD1 3.78Å; L77-I102 HydrophobicContact CD1-CG1 3.84Å; L77-I102 HydrophobicContact CD1-CG2 4.06Å; L91-I102 HydrophobicContact CD2-CD1 4.19Å; L91-I102 HydrophobicContact CD2-CG2 4.12Å; V93-I102 HydrophobicContact CG1-CD1 4.11Å; L98-I102 HydrophobicContact CD1-CD1 4.33Å; L98-I102 HydrophobicContact CD1-CG1 4.45Å; L98-I102 HydrophobicContact CD2-CD1 4.4Å; L98-I102 HydrophobicContact CG-CD1 3.89Å; L98-I102 HydrophobicContact CG-CG1 4.43Å; L98-I102 WeakPolarHBondContact O-CG1 3.28Å; L98-I102 PolarHBondContact O-N 2.92Å; G99-I102 PolarHBondContact O-N 3.49Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; Q100-I102 PolarHBondContact O-N 3.39Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 2.85Å; I102-Q105 PolarHBondContact O-N 3.41Å; I102-F106 HydrophobicContact CG2-CD2 4.14Å; I102-F106 PolarHBondContact O-N 3.05Å; I102-I109 HydrophobicContact CG2-CG2 4.48Å
103S89.4Confident89.1Confident42 Ų4256.1 Ų56.129%0.29433%0.325SS..Hα-helixtrans-64.4-29.9178.4-72.90000113G99 Q100 F106 I109 C111G99-S103 WeakPolarHBondContact O-CB 3.41Å; G99-S103 PolarHBondContact O-N 2.92Å; G99-S103 PolarHBondContact O-OG 3.11Å; Q100-S103 PolarHBondContact O-N 3.39Å; S103-F106 CarbonylContact O-C 3.21Å; S103-I109 PolarHBondContact OG-O 3.46Å; S103-C111 PolarHBondContact OG-SG 2.92Å; S103-C111 VanDerWaalsContact OG-SG 3.32Å
104A89.3Confident88.8Confident80 Ų8059 Ų5966%0.66134%0.343SS*.Hα-helixtrans-66.7-39.9174.500000112.4Q100 A101 I102Q100-A104 WeakPolarHBondContact O-CB 3.29Å; Q100-A104 PolarHBondContact O-N 3.27Å; A101-A104 PolarHBondContact O-N 3.24Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 2.85Å
105Q87.3Confident88.6Confident124 Ų12461.8 Ų61.858%0.57935%0.346SS*.Hα-helixtrans-81.4-31.4177.5-67-66.1-3.400112.9L69 A101 I102 P107L69-Q105 HydrophobicContact CD2-CB 4.11Å; L69-Q105 HydrophobicContact CD2-CG 3.97Å; A101-Q105 PolarHBondContact O-N 2.95Å; I102-Q105 PolarHBondContact O-N 3.41Å; Q105-P107 WeakPolarHBondContact O-CD 3.26Å
106F87.3Confident88.3Confident13 Ų1359.5 Ų59.56%0.05733%0.334CS..  trans-125.784.5-179.1-55.7-69.9000111.3L69 L74 L77 E78 L82 I102 S103 A108 I109L69-F106 HydrophobicContact CD2-CE2 4.1Å; L74-F106 HydrophobicContact CG-CZ 4.16Å; L77-F106 HydrophobicContact CB-CE2 4.35Å; E78-F106 HydrophobicContact CG-CE1 3.51Å; E78-F106 HydrophobicContact CG-CZ 3.39Å; L82-F106 HydrophobicContact CD1-CD1 4.4Å; L82-F106 HydrophobicContact CD1-CE1 4.06Å; L82-F106 HydrophobicContact CD2-CD1 4.24Å; I102-F106 HydrophobicContact CG2-CD2 4.14Å; I102-F106 PolarHBondContact O-N 3.05Å; S103-F106 CarbonylContact O-C 3.21Å; F106-A108 PolarHBondContact O-N 2.56Å; F106-I109 HydrophobicContact CB-CB 4.15Å; F106-I109 HydrophobicContact CB-CD1 3.46Å; F106-I109 VanDerWaalsContact CB-CD1 3.46Å; F106-I109 HydrophobicContact CB-CG1 3.74Å; F106-I109 HydrophobicContact CD2-CD1 4.1Å; F106-I109 HydrophobicContact CG-CD1 3.8Å; F106-I109 PolarHBondContact O-N 3.12Å
107P83.1Confident88.2Confident118 Ų11857 Ų5777%0.76632%0.318SS*.THydrogen-bonded Turntrans-59.5-23-180-25.834.7000114.3Q105 I109Q105-P107 WeakPolarHBondContact O-CD 3.26Å; P107-I109 VanDerWaalsContact C-N 3.26Å; P107-I109 PolarHBondContact O-N 2.9Å
108A83.7Confident88.1Confident62 Ų6254 Ų5451%0.51231%0.311SS..THydrogen-bonded Turntrans-75.1-11.9177.200000113.9V89 F106V89-A108 PolarHBondContact N-O 3.22Å; F106-A108 PolarHBondContact O-N 2.56Å
109I85.2Confident87.9Confident9 Ų955.7 Ų55.75%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-100116.2-177.5-57.9177.8000109.7L81 V89 L91 I102 S103 F106 P107 C111L81-I109 HydrophobicContact CB-CD1 4.1Å; L81-I109 HydrophobicContact CD1-CD1 3.65Å; V89-I109 WeakPolarHBondContact O-CA 3.28Å; L91-I109 HydrophobicContact CB-CG2 3.6Å; L91-I109 HydrophobicContact CD2-CG2 4.18Å; I102-I109 HydrophobicContact CG2-CG2 4.48Å; S103-I109 PolarHBondContact OG-O 3.46Å; F106-I109 HydrophobicContact CB-CB 4.15Å; F106-I109 HydrophobicContact CB-CD1 3.46Å; F106-I109 VanDerWaalsContact CB-CD1 3.46Å; F106-I109 HydrophobicContact CB-CG1 3.74Å; F106-I109 HydrophobicContact CD2-CD1 4.1Å; F106-I109 HydrophobicContact CG-CD1 3.8Å; F106-I109 PolarHBondContact O-N 3.12Å; P107-I109 VanDerWaalsContact C-N 3.26Å; P107-I109 PolarHBondContact O-N 2.9Å; I109-C111 PolarHBondContact O-N 3.32Å
110K87.7Confident87.8Confident134 Ų13455.6 Ų55.658%0.58332%0.317SS*.EExtended strand (participates in β ladder)trans-84104.4170.9-175.3179.4179.5-178.10109.4V89 T90 L91V89-K110 PolarHBondContact O-N 3.31Å; T90-K110 CarbonylContact C-O 3.52Å; T90-K110 WeakPolarHBondContact CA-O 3.28Å; L91-K110 PolarHBondContact N-O 3.35Å
111C89.9Confident87.8Confident25 Ų2549.6 Ų49.617%0.16929%0.29CS..EExtended strand (participates in β ladder)trans-78.1133.8174.6-67.10000111.4L91 G99 S103 I109L91-C111 CarbonylContact O-C 3.54Å; L91-C111 VanDerWaalsContact O-CA 3.24Å; L91-C111 WeakPolarHBondContact O-CA 3.14Å; G99-C111 PolarHBondContact O-SG 2.99Å; S103-C111 PolarHBondContact OG-SG 2.92Å; S103-C111 VanDerWaalsContact OG-SG 3.32Å; I109-C111 PolarHBondContact O-N 3.32Å
112L89.8Confident87.8Confident30 Ų3054.2 Ų54.216%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-125.2144.3174.6-70.9177000109.6M1 F19 T90 L91 G92 V93 V117M1-L112 HydrophobicContact SD-CD1 4.01Å; F19-L112 HydrophobicContact CE1-CD1 4.36Å; F19-L112 HydrophobicContact CZ-CD1 3.98Å; T90-L112 HydrophobicContact CG2-CD1 3.26Å; T90-L112 HydrophobicContact CG2-CG 3.79Å; L91-L112 PolarHBondContact O-N 2.98Å; G92-L112 CarbonylContact C-O 3.38Å; G92-L112 WeakPolarHBondContact CA-O 3.24Å; V93-L112 PolarHBondContact N-O 3.02Å; L112-V117 HydrophobicContact CB-CG2 4.13Å
113H87.4Confident87.7Confident91 Ų9154.2 Ų54.242%0.42130%0.303SS..  trans-133.5-3.1176.259.8-82.9000112.7V93V93-H113 HydrophobicContact CG2-CB 4.35Å
114T86.6Confident87.8Confident62 Ų6252.2 Ų52.238%0.3829%0.289SS..SBendtrans-101.9179.6-175.256.20000112.2A116 V117T114-A116 PolarHBondContact O-N 3.21Å; T114-V117 WeakPolarHBondContact O-CB 3.39Å; T114-V117 WeakPolarHBondContact O-CG2 3.24Å; T114-V117 PolarHBondContact O-N 3.42Å
115D83.5Confident87.8Confident108 Ų10855.9 Ų55.958%0.57829%0.285SS*.THydrogen-bonded Turntrans61.9-118170.3-45.5-54.4000113.3V117 P118D115-V117 VanDerWaalsContact C-N 3.3Å; D115-V117 PolarHBondContact O-N 3.13Å; D115-P118 WeakPolarHBondContact O-CD 3.28Å
116A85.1Confident87.9Confident0 Ų057.3 Ų57.30%029%0.287CS..THydrogen-bonded Turntrans-77.5-11.8-178.100000113.6L22 L26 T114 E119 V120L22-A116 HydrophobicContact CB-CB 4.29Å; L26-A116 HydrophobicContact CD2-CB 4.36Å; T114-A116 PolarHBondContact O-N 3.21Å; A116-E119 PolarHBondContact O-N 3.14Å; A116-V120 VanDerWaalsContact O-CG2 3.29Å; A116-V120 WeakPolarHBondContact O-CG2 2.88Å; A116-V120 PolarHBondContact O-N 2.95Å
117V88.8Confident88Confident2 Ų256.8 Ų56.81%0.01228%0.284CS..Hα-helixtrans-60.6-51.2-175.6175.60000112.3M1 I3 L112 T114 D115 E119 V120 L121M1-V117 HydrophobicContact CE-CG2 3.52Å; I3-V117 HydrophobicContact CD1-CG1 4.24Å; I3-V117 HydrophobicContact CD1-CG2 4.3Å; L112-V117 HydrophobicContact CB-CG2 4.13Å; T114-V117 WeakPolarHBondContact O-CB 3.39Å; T114-V117 WeakPolarHBondContact O-CG2 3.24Å; T114-V117 PolarHBondContact O-N 3.42Å; D115-V117 VanDerWaalsContact C-N 3.3Å; D115-V117 PolarHBondContact O-N 3.13Å; V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 2.81Å; V117-V120 PolarHBondContact O-N 3.18Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.34Å; V117-L121 WeakPolarHBondContact O-CB 3.3Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.25Å; V117-L121 PolarHBondContact O-N 3.39Å
118P89.9Confident88.2Confident64 Ų6451.2 Ų51.242%0.41625%0.248SC..Hα-helixtrans-60.8-36.5179.5-23.335.9000113D115 L121 R122D115-P118 WeakPolarHBondContact O-CD 3.28Å; P118-L121 PolarHBondContact O-N 2.97Å; P118-R122 WeakPolarHBondContact O-CB 3.42Å; P118-R122 PolarHBondContact O-N 3.3Å
119E86.4Confident88.2Confident36 Ų3651 Ų5117%0.16824%0.24CC..Hα-helixtrans-71.5-41.8-179.7-72-52.4128.700112.7L26 V29 E30 A116 V117 L121 R122 G123L26-E119 HydrophobicContact CD2-CG 4.43Å; V29-E119 HydrophobicContact CG1-CB 4.32Å; E30-E119 HydrophobicContact CG-CG 4.46Å; A116-E119 PolarHBondContact O-N 3.14Å; V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 2.81Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-R122 WeakPolarHBondContact O-CB 3.41Å; E119-R122 PolarHBondContact O-N 3.03Å; E119-R122 IonicContact OE1-CZ 3.86Å; E119-R122 IonicContact OE1-NE 3.13Å; E119-R122 IonicContact OE1-NH2 3.9Å; E119-R122 IonicContact OE2-CZ 3.59Å; E119-R122 IonicContact OE2-NE 2.76Å; E119-R122 PolarHBondContact OE2-NE 3.26Å; E119-R122 IonicContact OE2-NH2 2.63Å; E119-R122 PolarHBondContact OE2-NH2 2.95Å; E119-G123 PolarHBondContact O-N 3.12Å
120V89.4Confident88.3Confident3 Ų355.3 Ų55.32%0.01826%0.259CS..Hα-helixtrans-64.2-41.4172.8175.70000110.5I3 V16 V29 F39 V43 A116 V117 R122 G123 I124I3-V120 HydrophobicContact CD1-CG1 4.32Å; I3-V120 HydrophobicContact CG1-CG1 3.8Å; V16-V120 HydrophobicContact CG2-CG1 3.98Å; V29-V120 HydrophobicContact CG1-CG2 4.45Å; F39-V120 HydrophobicContact CZ-CG1 4.43Å; V43-V120 HydrophobicContact CG1-CG1 4.32Å; V43-V120 HydrophobicContact CG2-CG1 3.94Å; A116-V120 VanDerWaalsContact O-CG2 3.29Å; A116-V120 WeakPolarHBondContact O-CG2 2.88Å; A116-V120 PolarHBondContact O-N 2.95Å; V117-V120 PolarHBondContact O-N 3.18Å; V120-R122 VanDerWaalsContact C-N 3.32Å; V120-R122 PolarHBondContact O-N 2.76Å; V120-G123 PolarHBondContact O-N 2.83Å; V120-I124 HydrophobicContact CG1-CD1 3.85Å; V120-I124 HydrophobicContact CG1-CG1 4.38Å; V120-I124 VanDerWaalsContact O-CG1 3.3Å; V120-I124 WeakPolarHBondContact O-CG1 3.12Å; V120-I124 PolarHBondContact O-N 3.04Å
121L91.8Very high88.2Confident16 Ų1650.1 Ų50.18%0.08424%0.236CC..Hα-helixtrans-61.5-38.9174.6-75.5170.1000112.3I3 L4 F5 V117 P118 E119 I124 R125I3-L121 HydrophobicContact CG2-CD2 3.38Å; I3-L121 HydrophobicContact CG2-CG 3.93Å; L4-L121 WeakPolarHBondContact O-CD2 3.32Å; F5-L121 HydrophobicContact CB-CD2 4.33Å; F5-L121 HydrophobicContact CD2-CD2 3.91Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.34Å; V117-L121 WeakPolarHBondContact O-CB 3.3Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.25Å; V117-L121 PolarHBondContact O-N 3.39Å; P118-L121 PolarHBondContact O-N 2.97Å; E119-L121 VanDerWaalsContact C-N 3.33Å; L121-I124 PolarHBondContact O-N 3.38Å; L121-R125 WeakPolarHBondContact O-CB 3.31Å; L121-R125 PolarHBondContact O-N 3.12Å
122R90.1Very high87.6Confident120 Ų12049.3 Ų49.345%0.45323%0.23SC..Hα-helixtrans-62.4-45.1174.8-174.7172.970.9148.92.4111.3P118 E119 V120 R125 Y126P118-R122 WeakPolarHBondContact O-CB 3.42Å; P118-R122 PolarHBondContact O-N 3.3Å; E119-R122 WeakPolarHBondContact O-CB 3.41Å; E119-R122 PolarHBondContact O-N 3.03Å; E119-R122 IonicContact OE1-CZ 3.86Å; E119-R122 IonicContact OE1-NE 3.13Å; E119-R122 IonicContact OE1-NH2 3.9Å; E119-R122 IonicContact OE2-CZ 3.59Å; E119-R122 IonicContact OE2-NE 2.76Å; E119-R122 PolarHBondContact OE2-NE 3.26Å; E119-R122 IonicContact OE2-NH2 2.63Å; E119-R122 PolarHBondContact OE2-NH2 2.95Å; V120-R122 VanDerWaalsContact C-N 3.32Å; V120-R122 PolarHBondContact O-N 2.76Å; R122-R125 PolarHBondContact O-N 3.33Å; R122-Y126 PolarHBondContact O-N 3.31Å
123G90.3Very high86.8Confident0 Ų057.2 Ų57.20%026%0.263CS..Hα-helixtrans-64.5-42.317600000113.5F39 E119 V120 R125 Y126 H127F39-G123 VanDerWaalsContact CE1-C 3.45Å; F39-G123 VanDerWaalsContact CZ-C 3.42Å; E119-G123 PolarHBondContact O-N 3.12Å; V120-G123 PolarHBondContact O-N 2.83Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.3Å; G123-Y126 PolarHBondContact O-N 3.25Å; G123-H127 PolarHBondContact O-CD2 3.19Å; G123-H127 PolarHBondContact O-N 3.33Å; G123-H127 VanDerWaalsContact O-N 3.08Å
124I91.4Very high85.8Confident0 Ų062.5 Ų62.50%029%0.285CS..Hα-helixtrans-58.5-48.4173.7-71.2163.5000109.9I3 F5 F14 F39 V43 V120 L121 Y126 H127 F128I3-I124 HydrophobicContact CB-CD1 4.12Å; I3-I124 HydrophobicContact CG2-CD1 3.7Å; F5-I124 HydrophobicContact CB-CG2 3.92Å; F5-I124 HydrophobicContact CD1-CG2 3.66Å; F5-I124 HydrophobicContact CD2-CG2 3.85Å; F5-I124 HydrophobicContact CE1-CG2 4.09Å; F5-I124 HydrophobicContact CE2-CG2 4.27Å; F5-I124 HydrophobicContact CG-CG2 3.53Å; F5-I124 HydrophobicContact CZ-CG2 4.38Å; F14-I124 HydrophobicContact CB-CD1 3.93Å; F14-I124 HydrophobicContact CD1-CD1 4.32Å; F14-I124 HydrophobicContact CD1-CG1 4.23Å; F14-I124 HydrophobicContact CD2-CD1 3.65Å; F14-I124 HydrophobicContact CD2-CG1 4.14Å; F14-I124 HydrophobicContact CD2-CG2 3.97Å; F14-I124 HydrophobicContact CE1-CG1 4.38Å; F14-I124 HydrophobicContact CE1-CG2 4.29Å; F14-I124 HydrophobicContact CE2-CB 4.48Å; F14-I124 HydrophobicContact CE2-CD1 4.2Å; F14-I124 HydrophobicContact CE2-CG1 4.29Å; F14-I124 HydrophobicContact CE2-CG2 3.37Å; F14-I124 HydrophobicContact CG-CD1 3.7Å; F14-I124 HydrophobicContact CG-CG1 4.1Å; F14-I124 HydrophobicContact CZ-CG1 4.41Å; F14-I124 HydrophobicContact CZ-CG2 3.56Å; F39-I124 HydrophobicContact CE1-CG1 4.09Å; F39-I124 HydrophobicContact CZ-CG1 4.06Å; V43-I124 HydrophobicContact CG1-CD1 4.19Å; V43-I124 HydrophobicContact CG1-CG1 4.07Å; V120-I124 HydrophobicContact CG1-CD1 3.85Å; V120-I124 HydrophobicContact CG1-CG1 4.38Å; V120-I124 VanDerWaalsContact O-CG1 3.3Å; V120-I124 WeakPolarHBondContact O-CG1 3.12Å; V120-I124 PolarHBondContact O-N 3.04Å; L121-I124 PolarHBondContact O-N 3.38Å; I124-Y126 VanDerWaalsContact C-N 3.33Å; I124-Y126 PolarHBondContact O-N 3.44Å; I124-H127 CarbonylContact O-C 3.45Å; I124-H127 PolarHBondContact O-N 2.96Å; I124-F128 HydrophobicContact CG2-CD2 4.4Å; I124-F128 VanDerWaalsContact O-CA 3.32Å; I124-F128 WeakPolarHBondContact O-CA 3.37Å; I124-F128 WeakPolarHBondContact O-CB 3.46Å; I124-F128 PolarHBondContact O-N 3.05Å
125R90.2Very high84.9Confident157 Ų15761 Ų6159%0.59227%0.274SS*.Hα-helixtrans-59.6-42.1179.2-169.5-176-53.5-79-2.2112.2F5 L121 R122 G123F5-R125 HydrophobicContact CE2-CB 3.95Å; F5-R125 HydrophobicContact CE2-CG 4.37Å; F5-R125 HydrophobicContact CZ-CB 3.97Å; F5-R125 HydrophobicContact CZ-CG 4.13Å; L121-R125 WeakPolarHBondContact O-CB 3.31Å; L121-R125 PolarHBondContact O-N 3.12Å; R122-R125 PolarHBondContact O-N 3.33Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.3Å
126Y88.8Confident84.5Confident154 Ų15459.6 Ų59.660%0.60427%0.273SS*.Hα-helixtrans-67.2-36.5-179.7-174.5-106.4000112.9R122 G123 I124R122-Y126 PolarHBondContact O-N 3.31Å; G123-Y126 PolarHBondContact O-N 3.25Å; I124-Y126 VanDerWaalsContact C-N 3.33Å; I124-Y126 PolarHBondContact O-N 3.44Å
127H89Confident84.2Confident1 Ų161.5 Ų61.51%0.00529%0.293CS..Hα-helixtrans-10410.1-178.4-64.7-65.1000114.6V33 F36 F39 G123 I124 T129 K130 Y131V33-H127 PolarHBondContact O-NE2 3.38Å; F36-H127 HydrophobicContact CD2-CB 3.63Å; F36-H127 AromaticContact CD2-CG 3.57Å; F36-H127 AromaticContact CD2-ND1 3.65Å; F36-H127 HydrophobicContact CE2-CB 4Å; F36-H127 PolarHBondContact N-CE1 3.49Å; F39-H127 AromaticContact CD1-CD2 3.83Å; G123-H127 PolarHBondContact O-CD2 3.19Å; G123-H127 PolarHBondContact O-N 3.33Å; G123-H127 VanDerWaalsContact O-N 3.08Å; I124-H127 CarbonylContact O-C 3.45Å; I124-H127 PolarHBondContact O-N 2.96Å; H127-T129 VanDerWaalsContact C-N 3.32Å; H127-T129 PolarHBondContact O-N 2.95Å; H127-K130 PolarHBondContact ND1-NZ 2.91Å; H127-K130 WeakPolarHBondContact O-CB 3.44Å; H127-K130 PolarHBondContact O-N 3.47Å; H127-Y131 HydrophobicContact CB-CD2 4.27Å; H127-Y131 HydrophobicContact CB-CE2 4.02Å; H127-Y131 WeakPolarHBondContact O-CD2 3.2Å; H127-Y131 PolarHBondContact O-N 3.39Å
128F86.9Confident83.8Confident1 Ų170 Ų700%0.00433%0.33CS..Hα-helixtrans-56-44.8-170.9-172.7-104.4000112.9F5 H7 F14 Y48 I124 K130 Y131 C132F5-F128 AromaticContact CD1-CD2 3.64Å; F5-F128 HydrophobicContact CD1-CD2 3.64Å; F5-F128 AromaticContact CD1-CE2 3.63Å; F5-F128 HydrophobicContact CD1-CE2 3.63Å; F5-F128 HydrophobicContact CE1-CB 4.41Å; F5-F128 AromaticContact CE1-CD2 3.37Å; F5-F128 HydrophobicContact CE1-CD2 3.37Å; F5-F128 AromaticContact CE1-CE2 3.67Å; F5-F128 HydrophobicContact CE1-CE2 3.67Å; F5-F128 AromaticContact CE1-CG 3.87Å; F5-F128 HydrophobicContact CE1-CG 3.87Å; F5-F128 HydrophobicContact CE1-CZ 4.38Å; F5-F128 HydrophobicContact CZ-CD2 4.48Å; H7-F128 HydrophobicContact CB-CE1 4.07Å; H7-F128 HydrophobicContact CB-CE2 4.25Å; H7-F128 HydrophobicContact CB-CZ 3.76Å; H7-F128 AromaticContact CD2-CD1 3.89Å; H7-F128 AromaticContact CD2-CE1 3.81Å; H7-F128 AromaticContact CE1-CE1 3.68Å; H7-F128 AromaticContact CG-CD1 3.96Å; H7-F128 AromaticContact CG-CE1 3.39Å; H7-F128 AromaticContact CG-CZ 3.62Å; H7-F128 AromaticContact ND1-CE1 3.28Å; H7-F128 VanDerWaalsContact ND1-CE1 3.28Å; H7-F128 WeakPolarHBondContact ND1-CE1 3.49Å; H7-F128 AromaticContact ND1-CZ 3.77Å; F14-F128 HydrophobicContact CZ-CD2 4.45Å; Y48-F128 HydrophobicContact CE2-CZ 4.14Å; I124-F128 HydrophobicContact CG2-CD2 4.4Å; I124-F128 VanDerWaalsContact O-CA 3.32Å; I124-F128 WeakPolarHBondContact O-CA 3.37Å; I124-F128 WeakPolarHBondContact O-CB 3.46Å; I124-F128 PolarHBondContact O-N 3.05Å; F128-K130 PolarHBondContact O-N 3.32Å; F128-K130 VanDerWaalsContact O-N 3.13Å; F128-Y131 PolarHBondContact O-N 3.22Å; F128-Y131 VanDerWaalsContact O-N 3.09Å; F128-C132 HydrophobicContact CE1-CB 4.33Å; F128-C132 HydrophobicContact CZ-CB 4.45Å; F128-C132 PolarHBondContact O-N 3.46Å
129T85.1Confident83.4Confident58 Ų5869.6 Ų69.636%0.35633%0.331SS..Hα-helixtrans-49.8-36.3172.949.40000113.8H127 E140H127-T129 VanDerWaalsContact C-N 3.32Å; H127-T129 PolarHBondContact O-N 2.95Å; T129-E140 WeakPolarHBondContact CG2-OE2 3.46Å
130K86.1Confident83.2Confident99 Ų9968.8 Ų68.843%0.4333%0.328SS..Hα-helixtrans-79.5-33-178-62.7178.9-177.9166.50112.4F36 H127 F128F36-K130 HydrophobicContact CB-CD 3.89Å; F36-K130 HydrophobicContact CD1-CD 3.86Å; F36-K130 HydrophobicContact CD2-CB 4.05Å; F36-K130 HydrophobicContact CD2-CD 3.64Å; F36-K130 HydrophobicContact CE1-CB 4.14Å; F36-K130 HydrophobicContact CE1-CD 4.29Å; F36-K130 HydrophobicContact CE2-CB 3.6Å; F36-K130 HydrophobicContact CE2-CD 4.09Å; F36-K130 HydrophobicContact CG-CB 4.48Å; F36-K130 HydrophobicContact CG-CD 3.49Å; F36-K130 VanDerWaalsContact CG-CD 3.49Å; F36-K130 HydrophobicContact CZ-CB 3.65Å; F36-K130 HydrophobicContact CZ-CD 4.39Å; H127-K130 PolarHBondContact ND1-NZ 2.91Å; H127-K130 WeakPolarHBondContact O-CB 3.44Å; H127-K130 PolarHBondContact O-N 3.47Å; F128-K130 PolarHBondContact O-N 3.32Å; F128-K130 VanDerWaalsContact O-N 3.13Å
131Y85.3Confident83.1Confident25 Ų2574.9 Ų74.910%0.09835%0.354CS..Hα-helixtrans-70.4-44.6173.5-74.2-72000111.1F14 F36 F39 N40 V43 L45 H127 F128 K133F14-Y131 AromaticContact CE1-CD1 3.9Å; F14-Y131 HydrophobicContact CE1-CD1 3.9Å; F14-Y131 AromaticContact CE1-CD2 3.81Å; F14-Y131 HydrophobicContact CE1-CD2 3.81Å; F14-Y131 HydrophobicContact CE1-CE1 4.09Å; F14-Y131 HydrophobicContact CE1-CE2 4.02Å; F14-Y131 AromaticContact CE1-CG 3.75Å; F14-Y131 HydrophobicContact CE1-CG 3.75Å; F14-Y131 HydrophobicContact CZ-CD2 4.26Å; F14-Y131 HydrophobicContact CZ-CG 4.29Å; F36-Y131 HydrophobicContact CE2-CD2 4.21Å; F36-Y131 HydrophobicContact CE2-CE1 4.29Å; F36-Y131 AromaticContact CE2-CE2 3.94Å; F36-Y131 HydrophobicContact CE2-CE2 3.94Å; F36-Y131 HydrophobicContact CE2-CG 4.49Å; F36-Y131 AromaticContact CE2-CZ 3.99Å; F39-Y131 HydrophobicContact CD1-CE2 4.19Å; F39-Y131 VanDerWaalsContact CD1-OH 3.28Å; F39-Y131 WeakPolarHBondContact CD1-OH 3.44Å; F39-Y131 HydrophobicContact CE1-CE2 4.12Å; N40-Y131 VanDerWaalsContact OD1-CE1 3.28Å; N40-Y131 WeakPolarHBondContact OD1-CE1 3.46Å; V43-Y131 PolarHBondContact O-OH 2.82Å; L45-Y131 HydrophobicContact CB-CD1 4.07Å; H127-Y131 HydrophobicContact CB-CD2 4.27Å; H127-Y131 HydrophobicContact CB-CE2 4.02Å; H127-Y131 WeakPolarHBondContact O-CD2 3.2Å; H127-Y131 PolarHBondContact O-N 3.39Å; F128-Y131 PolarHBondContact O-N 3.22Å; F128-Y131 VanDerWaalsContact O-N 3.09Å; Y131-K133 PolarHBondContact O-N 3.35Å
132C78.7Confident82.8Confident8 Ų877.9 Ų77.95%0.05438%0.377CS..  trans-9570.6-177.7-73.30000111.9F128 K134 I135F128-C132 HydrophobicContact CE1-CB 4.33Å; F128-C132 HydrophobicContact CZ-CB 4.45Å; F128-C132 PolarHBondContact O-N 3.46Å; C132-K134 PolarHBondContact O-N 3.06Å; C132-I135 HydrophobicContact CB-CD1 4.42Å; C132-I135 PolarHBondContact O-N 3.29Å
133K71.7Confident82.6Confident197 Ų19774 Ų7486%0.85737%0.37SS*.THydrogen-bonded Turntrans-53.2-19.3178.7-64.6-175.7-180-179.90115.2Y131 I135Y131-K133 PolarHBondContact O-N 3.35Å; K133-I135 VanDerWaalsContact C-N 3.32Å
134K66.9Low82.6Confident201 Ų20177.8 Ų77.887%0.87439%0.388SS*.THydrogen-bonded Turntrans-75.6-17178.6-67.1-173.2177.6-176.40113.5C132C132-K134 PolarHBondContact O-N 3.06Å
135I68.6Low82.5Confident31 Ų3181.9 Ų81.916%0.15941%0.409CS..SBendtrans-109.7113.8-176.6-58.1175.4000108.1S9 Y48 C132 K133 A139 E140S9-I135 VanDerWaalsContact OG-CD1 3.32Å; S9-I135 WeakPolarHBondContact OG-CD1 3.32Å; Y48-I135 WeakPolarHBondContact OH-CD1 3.39Å; C132-I135 HydrophobicContact CB-CD1 4.42Å; C132-I135 PolarHBondContact O-N 3.29Å; K133-I135 VanDerWaalsContact C-N 3.32Å; I135-A139 HydrophobicContact CG2-CB 4.28Å; I135-E140 HydrophobicContact CG2-CB 3.77Å
136S75Confident82.5Confident78 Ų7875.9 Ų75.955%0.54540%0.396SS..  trans-62.5140.7168.3175.20000109.3K138 A139 E140S136-K138 PolarHBondContact O-N 3.12Å; S136-A139 WeakPolarHBondContact O-CA 3.49Å; S136-A139 WeakPolarHBondContact O-CB 3.14Å; S136-A139 PolarHBondContact O-N 3.17Å; S136-E140 PolarHBondContact O-N 2.9Å
137G77Confident82.5Confident41 Ų4169.2 Ų69.242%0.42337%0.371SS..Hα-helixtrans-54.6-27.5178.200000113.7F141G137-F141 PolarHBondContact O-N 3.15Å; G137-F141 VanDerWaalsContact O-N 3.16Å
138K81.1Confident82.6Confident181 Ų18171 Ų7179%0.78739%0.389SS*.Hα-helixtrans-69.7-41.2172.6-69.7-173.9178.5-178.30112.9S136 E140 S142S136-K138 PolarHBondContact O-N 3.12Å; K138-E140 VanDerWaalsContact C-N 3.35Å; K138-S142 WeakPolarHBondContact O-CB 3.39Å; K138-S142 PolarHBondContact O-N 3.28Å
139A81.6Confident82.8Confident54 Ų5476.7 Ų76.745%0.44642%0.416SS..Hα-helixtrans-68.4-38.1178.100000110.9I135 S136 S142 A143I135-A139 HydrophobicContact CG2-CB 4.28Å; S136-A139 WeakPolarHBondContact O-CA 3.49Å; S136-A139 WeakPolarHBondContact O-CB 3.14Å; S136-A139 PolarHBondContact O-N 3.17Å; A139-S142 PolarHBondContact O-N 3.49Å; A139-A143 WeakPolarHBondContact O-CB 3.24Å; A139-A143 PolarHBondContact O-N 3.41Å
140E83.2Confident83Confident19 Ų1978.6 Ų78.69%0.08942%0.416CS..Hα-helixtrans-57.4-53.9173.1-170.3-178.7143.700111.6H7 T129 I135 S136 K138 S142 A143 Q144H7-E140 IonicContact NE2-OE1 3.93Å; T129-E140 WeakPolarHBondContact CG2-OE2 3.46Å; I135-E140 HydrophobicContact CG2-CB 3.77Å; S136-E140 PolarHBondContact O-N 2.9Å; K138-E140 VanDerWaalsContact C-N 3.35Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 2.92Å; E140-A143 PolarHBondContact O-N 2.91Å; E140-A143 VanDerWaalsContact O-N 3.17Å; E140-Q144 WeakPolarHBondContact O-CG 3.49Å; E140-Q144 PolarHBondContact O-N 3.05Å; E140-Q144 PolarHBondContact OE1-NE2 3.36Å; E140-Q144 VanDerWaalsContact OE1-NE2 3.15Å
141F85.6Confident83.1Confident132 Ų13275.4 Ų75.458%0.57940%0.404SS*.Hα-helixtrans-60.1-42180-177.7-101.7000111.9G137 A143 Q144 L145G137-F141 PolarHBondContact O-N 3.15Å; G137-F141 VanDerWaalsContact O-N 3.16Å; F141-A143 PolarHBondContact O-N 3.19Å; F141-Q144 PolarHBondContact O-N 3.5Å; F141-L145 HydrophobicContact CE1-CD2 4.41Å; F141-L145 WeakPolarHBondContact O-CB 3.42Å; F141-L145 PolarHBondContact O-N 3.06Å
142S86.8Confident83.2Confident79 Ų7976.6 Ų76.655%0.55242%0.419SS*.Hα-helixtrans-63.3-39.8176.7-170.30000112.5K138 A139 E140 G146K138-S142 WeakPolarHBondContact O-CB 3.39Å; K138-S142 PolarHBondContact O-N 3.28Å; A139-S142 PolarHBondContact O-N 3.49Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 2.92Å; S142-G146 PolarHBondContact O-N 2.96Å
143A86.3Confident83.7Confident38 Ų3884.2 Ų84.231%0.31445%0.447SS..Hα-helixtrans-67.2-44.7177.300000111.6A139 E140 F141 L145 G146 L147A139-A143 WeakPolarHBondContact O-CB 3.24Å; A139-A143 PolarHBondContact O-N 3.41Å; E140-A143 PolarHBondContact O-N 2.91Å; E140-A143 VanDerWaalsContact O-N 3.17Å; F141-A143 PolarHBondContact O-N 3.19Å; A143-L145 PolarHBondContact O-N 3.31Å; A143-G146 PolarHBondContact O-N 2.92Å; A143-L147 VanDerWaalsContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CB 3.3Å; A143-L147 PolarHBondContact O-N 3.49Å
144Q89.3Confident84.3Confident79 Ų7975.2 Ų75.237%0.36941%0.409SS..Hα-helixtrans-59.8-45.5175.6-71.7173.6-400111.8H7 A8 E140 F141 G148H7-Q144 PolarHBondContact NE2-NE2 2.95Å; A8-Q144 HydrophobicContact CB-CB 4.33Å; A8-Q144 HydrophobicContact CB-CG 3.75Å; E140-Q144 WeakPolarHBondContact O-CG 3.49Å; E140-Q144 PolarHBondContact O-N 3.05Å; E140-Q144 PolarHBondContact OE1-NE2 3.36Å; E140-Q144 VanDerWaalsContact OE1-NE2 3.15Å; F141-Q144 PolarHBondContact O-N 3.5Å; Q144-G148 PolarHBondContact O-N 3.31Å
145L90Very high84.9Confident86 Ų8670 Ų7045%0.4539%0.386SS..Hα-helixtrans-65.2-47.6178.9-175.565000111.7F141 A143 G148 H149F141-L145 HydrophobicContact CE1-CD2 4.41Å; F141-L145 WeakPolarHBondContact O-CB 3.42Å; F141-L145 PolarHBondContact O-N 3.06Å; A143-L145 PolarHBondContact O-N 3.31Å; L145-G148 PolarHBondContact O-N 3.36Å; L145-H149 WeakPolarHBondContact CD1-NE2 3.5Å; L145-H149 PolarHBondContact O-CD2 3.12Å; L145-H149 PolarHBondContact O-N 3.44Å
146G88.9Confident85.5Confident31 Ų3172.7 Ų72.732%0.3240%0.404SS..Hα-helixtrans-61.3-47.1179.300000112.6S142 A143 R150S142-G146 PolarHBondContact O-N 2.96Å; A143-G146 PolarHBondContact O-N 2.92Å; G146-R150 WeakPolarHBondContact O-CG 3.4Å; G146-R150 PolarHBondContact O-N 3.36Å; G146-R150 VanDerWaalsContact O-N 3.14Å
147L89.6Confident85.3Confident14 Ų1473.1 Ų73.17%0.07340%0.398CS..Hα-helixtrans-65.8-41.6176.7-175.662.1000111.4A8 A57 L58 C61 A143 H149 R150 L151A8-L147 HydrophobicContact CB-CB 4.5Å; A8-L147 HydrophobicContact CB-CD2 3.77Å; A57-L147 HydrophobicContact CB-CD1 4.21Å; L58-L147 HydrophobicContact CB-CD1 4.16Å; L58-L147 HydrophobicContact CD1-CD1 4.31Å; C61-L147 HydrophobicContact CB-CD2 4.44Å; A143-L147 VanDerWaalsContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CB 3.3Å; A143-L147 PolarHBondContact O-N 3.49Å; L147-H149 PolarHBondContact O-N 3.47Å; L147-R150 PolarHBondContact O-N 2.93Å; L147-L151 VanDerWaalsContact O-CB 3.28Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 PolarHBondContact O-N 3.42Å
148G90.1Very high84.5Confident38 Ų3879.3 Ų79.339%0.39241%0.413SS..Hα-helixtrans-58.2-45177.300000112.8Q144 L145 A152Q144-G148 PolarHBondContact O-N 3.31Å; L145-G148 PolarHBondContact O-N 3.36Å; G148-A152 VanDerWaalsContact O-CB 3.29Å; G148-A152 WeakPolarHBondContact O-CB 3.39Å; G148-A152 PolarHBondContact O-N 2.95Å
149H91.1Very high83.5Confident122 Ų12274.7 Ų74.757%0.56540%0.397SS*.Hα-helixtrans-64.3-43.3175.1-73.8-53.4000112.7L145 L147 R153L145-H149 WeakPolarHBondContact CD1-NE2 3.5Å; L145-H149 PolarHBondContact O-CD2 3.12Å; L145-H149 PolarHBondContact O-N 3.44Å; L147-H149 PolarHBondContact O-N 3.47Å; H149-R153 WeakPolarHBondContact O-CB 3.48Å; H149-R153 PolarHBondContact O-N 3.32Å
150R89.2Confident82.4Confident98 Ų9876.1 Ų76.137%0.3741%0.408SS..Hα-helixtrans-65.5-43.8178.8-73.8-176.6177.8-152.31.1111.7V54 E55 L58 G146 L147 R153 A154V54-R150 VanDerWaalsContact CG1-CZ 3.42Å; V54-R150 VanDerWaalsContact CG1-NH1 3.27Å; E55-R150 IonicContact OE1-CZ 3.02Å; E55-R150 IonicContact OE1-NH1 3.56Å; E55-R150 PolarHBondContact OE1-NH1 3.02Å; E55-R150 IonicContact OE1-NH2 2.87Å; L58-R150 HydrophobicContact CD1-CB 3.95Å; L58-R150 HydrophobicContact CD2-CB 4.13Å; G146-R150 WeakPolarHBondContact O-CG 3.4Å; G146-R150 PolarHBondContact O-N 3.36Å; G146-R150 VanDerWaalsContact O-N 3.14Å; L147-R150 PolarHBondContact O-N 2.93Å; R150-R153 PolarHBondContact O-N 3.25Å; R150-A154 WeakPolarHBondContact O-CB 3.32Å; R150-A154 PolarHBondContact O-N 3.29Å
151L88.6Confident81.3Confident31 Ų3177.7 Ų77.716%0.16242%0.418CS..Hα-helixtrans-64.2-44.9177179.8146.4000111.7L58 C61 L147 R153 A154 K155L58-L151 HydrophobicContact CD1-CB 4.07Å; C61-L151 HydrophobicContact CB-CD1 4.08Å; C61-L151 WeakPolarHBondContact SG-CD1 3.32Å; L147-L151 VanDerWaalsContact O-CB 3.28Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 PolarHBondContact O-N 3.42Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.13Å; L151-A154 PolarHBondContact O-N 2.83Å; L151-K155 HydrophobicContact CD2-CD 3.8Å; L151-K155 HydrophobicContact CD2-CG 4.46Å; L151-K155 HydrophobicContact CG-CD 4.45Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.43Å
152A88.2Confident80.3Confident51 Ų5177.5 Ų77.542%0.42141%0.413SS..Hα-helixtrans-59.9-43.9174.800000111.2G148 K155 V156G148-A152 VanDerWaalsContact O-CB 3.29Å; G148-A152 WeakPolarHBondContact O-CB 3.39Å; G148-A152 PolarHBondContact O-N 2.95Å; A152-K155 PolarHBondContact O-N 3.29Å; A152-V156 WeakPolarHBondContact O-CB 3.39Å; A152-V156 VanDerWaalsContact O-CG2 3.24Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 2.99Å
153R88Confident79.5Confident168 Ų16877.1 Ų77.163%0.63441%0.407SS*.Hα-helixtrans-62.2-46176.2-178.1177.1178.9168.90.7111.9H149 R150 L151 V156 Q157H149-R153 WeakPolarHBondContact O-CB 3.48Å; H149-R153 PolarHBondContact O-N 3.32Å; R150-R153 PolarHBondContact O-N 3.25Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.13Å; R153-V156 PolarHBondContact O-N 3.48Å; R153-Q157 HydrophobicContact CG-CG 4.3Å; R153-Q157 WeakPolarHBondContact O-CB 3.39Å; R153-Q157 VanDerWaalsContact O-CG 3.32Å; R153-Q157 WeakPolarHBondContact O-CG 3.44Å; R153-Q157 PolarHBondContact O-N 2.87Å
154A84.6Confident79.3Confident8 Ų875.7 Ų75.77%0.06639%0.394CS..Hα-helixtrans-60.4-48.617900000111.1L58 L62 R150 L151 V156 Q157 F158L58-A154 HydrophobicContact CD1-CB 4.46Å; L62-A154 HydrophobicContact CD1-CB 3.97Å; L62-A154 HydrophobicContact CD2-CB 4.07Å; R150-A154 WeakPolarHBondContact O-CB 3.32Å; R150-A154 PolarHBondContact O-N 3.29Å; L151-A154 PolarHBondContact O-N 2.83Å; A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.95Å; A154-Q157 PolarHBondContact O-N 3.14Å; A154-Q157 VanDerWaalsContact O-N 3.14Å; A154-F158 WeakPolarHBondContact O-CD2 3.45Å; A154-F158 PolarHBondContact O-N 3.29Å
155K81.2Confident79.2Confident91 Ų9175.4 Ų75.440%0.39640%0.396SS..Hα-helixtrans-59.9-36.9176.8-72.1-175.4-179.7-178.90113L62 T65 L151 A152L62-K155 HydrophobicContact CD2-CG 4.34Å; T65-K155 PolarHBondContact OG1-NZ 2.93Å; L151-K155 HydrophobicContact CD2-CD 3.8Å; L151-K155 HydrophobicContact CD2-CG 4.46Å; L151-K155 HydrophobicContact CG-CD 4.45Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.43Å; A152-K155 PolarHBondContact O-N 3.29Å
156V79.5Confident79.2Confident88 Ų8876.6 Ų76.653%0.53340%0.4SS..Hα-helixtrans-74.9-34.3177172.50000112.3A152 R153 A154 N159A152-V156 WeakPolarHBondContact O-CB 3.39Å; A152-V156 VanDerWaalsContact O-CG2 3.24Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 2.99Å; R153-V156 PolarHBondContact O-N 3.48Å; A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.95Å; V156-N159 PolarHBondContact O-ND2 2.91Å
157Q71.6Confident79.3Confident87 Ų8775.1 Ų75.141%0.40739%0.385SS..Hα-helixtrans-69.7-41.1177.5-78-178.4-2500112R153 A154 N159 R162R153-Q157 HydrophobicContact CG-CG 4.3Å; R153-Q157 WeakPolarHBondContact O-CB 3.39Å; R153-Q157 VanDerWaalsContact O-CG 3.32Å; R153-Q157 WeakPolarHBondContact O-CG 3.44Å; R153-Q157 PolarHBondContact O-N 2.87Å; A154-Q157 PolarHBondContact O-N 3.14Å; A154-Q157 VanDerWaalsContact O-N 3.14Å; Q157-N159 VanDerWaalsContact C-N 3.26Å; Q157-N159 PolarHBondContact O-N 3.31Å; Q157-R162 PolarHBondContact O-NE 3.03Å
158F60.3Low79.3Confident170 Ų17075.6 Ų75.675%0.74639%0.387SS*.THydrogen-bonded Turntrans-83.624.7-178.3-83.8-79.3000115.1A154 A160A154-F158 WeakPolarHBondContact O-CD2 3.45Å; A154-F158 PolarHBondContact O-N 3.29Å; F158-A160 PolarHBondContact O-N 3.24Å
159N59.6Low79.4Confident85 Ų8580.2 Ų80.246%0.45540%0.398SS..  trans-61.9104.3168.6-90.9-41.6000109.6V156 Q157 N161 R162V156-N159 PolarHBondContact O-ND2 2.91Å; Q157-N159 VanDerWaalsContact C-N 3.26Å; Q157-N159 PolarHBondContact O-N 3.31Å; N159-N161 PolarHBondContact O-N 3.39Å; N159-R162 HydrophobicContact CB-CG 4.28Å; N159-R162 WeakPolarHBondContact O-CB 3.43Å; N159-R162 WeakPolarHBondContact O-CG 3.41Å; N159-R162 PolarHBondContact O-N 2.87Å
160A59.3Low79.6Confident83 Ų8374.6 Ų74.669%0.68637%0.373SS*.THydrogen-bonded Turntrans-50.6-27.5173.600000112.2F158 R162F158-A160 PolarHBondContact O-N 3.24Å; A160-R162 PolarHBondContact O-N 3.43Å; A160-R162 VanDerWaalsContact O-N 3.1Å
161N60.7Low79.8Confident52 Ų5270 Ų7028%0.27836%0.356SS..THydrogen-bonded Turntrans-66.2-5.5175.7-53.5-30.8000114.7N159 V163 D164 N165 N304N159-N161 PolarHBondContact O-N 3.39Å; N161-V163 VanDerWaalsContact C-N 3.32Å; N161-V163 PolarHBondContact O-N 3.33Å; N161-D164 PolarHBondContact O-N 3.42Å; N161-N165 PolarHBondContact O-N 3.05Å; N161-N304 PolarHBondContact OD1-ND2 3.41Å
162R63.5Low80Confident128 Ų12870.7 Ų70.748%0.48337%0.366SS..Hα-helixtrans-67-31.3-178.9-81.8-174.9175.4-165.3-1.1113.2Q157 N159 A160 D164 N165Q157-R162 PolarHBondContact O-NE 3.03Å; N159-R162 HydrophobicContact CB-CG 4.28Å; N159-R162 WeakPolarHBondContact O-CB 3.43Å; N159-R162 WeakPolarHBondContact O-CG 3.41Å; N159-R162 PolarHBondContact O-N 2.87Å; A160-R162 PolarHBondContact O-N 3.43Å; A160-R162 VanDerWaalsContact O-N 3.1Å; R162-D164 VanDerWaalsContact C-N 3.34Å; R162-N165 PolarHBondContact O-N 3.39Å
163V70.2Confident80.4Confident72 Ų7271 Ų7144%0.43636%0.36SS..Hα-helixtrans-66.8-41.2178.4-175.80000110.1N161 N165 M166 I167 C280N161-V163 VanDerWaalsContact C-N 3.32Å; N161-V163 PolarHBondContact O-N 3.33Å; V163-N165 VanDerWaalsContact C-N 3.31Å; V163-N165 PolarHBondContact O-N 2.8Å; V163-M166 PolarHBondContact O-N 2.99Å; V163-I167 PolarHBondContact O-N 3.36Å; V163-C280 HydrophobicContact CG1-CB 4.07Å
164D82Confident80.7Confident7 Ų763.1 Ų63.14%0.03733%0.33CS..Hα-helixtrans-59-41.8176.9-57.5-6.9000111.8N161 R162 M166 I167 M168 C280 I297 L303N161-D164 PolarHBondContact O-N 3.42Å; R162-D164 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 3.42Å; D164-I167 WeakPolarHBondContact O-CB 3.38Å; D164-I167 PolarHBondContact O-N 3.37Å; D164-M168 WeakPolarHBondContact O-CG 3.15Å; D164-M168 PolarHBondContact O-N 3.41Å; D164-C280 PolarHBondContact OD1-SG 3.37Å; D164-C280 VanDerWaalsContact OD1-SG 3.36Å; D164-I297 HydrophobicContact CB-CG2 4.47Å; D164-L303 WeakPolarHBondContact OD2-CB 3.34Å; D164-L303 PolarHBondContact OD2-N 3.42Å
165N86.5Confident81.1Confident74 Ų7465.3 Ų65.340%0.39634%0.341SS..Hα-helixtrans-55.7-39.7-179.7-70.9-20.7000112.1N161 R162 V163 M168 Q169N161-N165 PolarHBondContact O-N 3.05Å; R162-N165 PolarHBondContact O-N 3.39Å; V163-N165 VanDerWaalsContact C-N 3.31Å; V163-N165 PolarHBondContact O-N 2.8Å; N165-M168 HydrophobicContact CB-CE 4.39Å; N165-M168 PolarHBondContact O-N 3.45Å; N165-M168 WeakPolarHBondContact OD1-CE 3.06Å; N165-Q169 VanDerWaalsContact O-CG 3.32Å; N165-Q169 WeakPolarHBondContact O-CG 3.32Å; N165-Q169 PolarHBondContact O-N 3.12Å
166M89.6Confident81.8Confident111 Ų11166.2 Ų66.255%0.54735%0.347SS..Hα-helixtrans-69.2-36.6178.8-60.9-60.2170.300112V163 D164 A170V163-M166 PolarHBondContact O-N 2.99Å; D164-M166 PolarHBondContact O-N 3.42Å; M166-A170 VanDerWaalsContact O-CB 3.3Å; M166-A170 WeakPolarHBondContact O-CB 3.35Å; M166-A170 PolarHBondContact O-N 2.97Å
167I91.1Very high82.5Confident0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-64.7-44.2174.9-65.6174000110.3V163 D164 A170 I171 L273 R276 M277 C280 A294V163-I167 PolarHBondContact O-N 3.36Å; D164-I167 WeakPolarHBondContact O-CB 3.38Å; D164-I167 PolarHBondContact O-N 3.37Å; I167-A170 PolarHBondContact O-N 3.26Å; I167-I171 WeakPolarHBondContact O-CG2 3.46Å; I167-I171 PolarHBondContact O-N 3.43Å; I167-L273 HydrophobicContact CG2-CD1 3.93Å; I167-R276 HydrophobicContact CD1-CB 4.49Å; I167-R276 HydrophobicContact CG1-CB 4.02Å; I167-M277 HydrophobicContact CG2-CE 3.91Å; I167-C280 HydrophobicContact CD1-CB 3.49Å; I167-C280 VanDerWaalsContact CD1-CB 3.49Å; I167-A294 HydrophobicContact CG2-CB 3.92Å
168M91.5Very high83.6Confident24 Ų2458.8 Ų58.812%0.11831%0.31CS..Hα-helixtrans-61.9-44.7178-64.9-166.5-71.100112.1D164 N165 I171 A172 I297 G301D164-M168 WeakPolarHBondContact O-CG 3.15Å; D164-M168 PolarHBondContact O-N 3.41Å; N165-M168 HydrophobicContact CB-CE 4.39Å; N165-M168 PolarHBondContact O-N 3.45Å; N165-M168 WeakPolarHBondContact OD1-CE 3.06Å; M168-I171 VanDerWaalsContact O-CG2 3.29Å; M168-I171 WeakPolarHBondContact O-CG2 3.48Å; M168-A172 WeakPolarHBondContact O-CB 3.02Å; M168-A172 PolarHBondContact O-N 3.1Å; M168-A172 VanDerWaalsContact O-N 3.08Å; M168-I297 HydrophobicContact CG-CG2 4.26Å; M168-G301 WeakPolarHBondContact CE-O 3.45Å; M168-G301 VanDerWaalsContact SD-C 3.55Å
169Q92.1Very high85.2Confident135 Ų13557.5 Ų57.563%0.63130%0.304SS*.Hα-helixtrans-65.9-39.7176.4-65.8-56.6-26.900111.9N165 A172 L173N165-Q169 VanDerWaalsContact O-CG 3.32Å; N165-Q169 WeakPolarHBondContact O-CG 3.32Å; N165-Q169 PolarHBondContact O-N 3.12Å; Q169-A172 PolarHBondContact O-N 3.33Å; Q169-L173 WeakPolarHBondContact O-CB 3.38Å; Q169-L173 PolarHBondContact O-N 3.45Å
170A93.5Very high87Confident4 Ų456.4 Ų56.43%0.03330%0.298CS..Hα-helixtrans-63.8-45.2178.900000112.5M166 I167 L173 V174 M269 Y272 L273M166-A170 VanDerWaalsContact O-CB 3.3Å; M166-A170 WeakPolarHBondContact O-CB 3.35Å; M166-A170 PolarHBondContact O-N 2.97Å; I167-A170 PolarHBondContact O-N 3.26Å; A170-L173 PolarHBondContact O-N 3.39Å; A170-V174 VanDerWaalsContact O-CG2 3.31Å; A170-V174 WeakPolarHBondContact O-CG2 3.43Å; A170-V174 PolarHBondContact O-N 3.11Å; A170-M269 HydrophobicContact CB-CE 3.93Å; A170-Y272 HydrophobicContact CB-CD1 4.06Å; A170-Y272 HydrophobicContact CB-CE1 3.98Å; A170-L273 HydrophobicContact CB-CD1 4.08Å
171I94.1Very high88.7Confident2 Ų252.5 Ų52.51%0.0127%0.266CS..Hα-helixtrans-69.1-38.7178.5-171.659.4000112I167 M168 L173 V174 D175 L273 A294 R295I167-I171 WeakPolarHBondContact O-CG2 3.46Å; I167-I171 PolarHBondContact O-N 3.43Å; M168-I171 VanDerWaalsContact O-CG2 3.29Å; M168-I171 WeakPolarHBondContact O-CG2 3.48Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.44Å; I171-V174 PolarHBondContact O-N 2.83Å; I171-D175 WeakPolarHBondContact O-CB 3.18Å; I171-D175 PolarHBondContact O-N 3.31Å; I171-L273 HydrophobicContact CB-CD2 4.45Å; I171-L273 HydrophobicContact CD1-CD2 3.92Å; I171-A294 HydrophobicContact CB-CB 3.86Å; I171-A294 HydrophobicContact CD1-CB 4.33Å; I171-A294 HydrophobicContact CG1-CB 3.99Å; I171-A294 HydrophobicContact CG2-CB 4.19Å; I171-R295 HydrophobicContact CD1-CG 4Å; I171-R295 HydrophobicContact CG1-CG 3.58Å
172A94.2Very high90.3Very high44 Ų4453.7 Ų53.736%0.36427%0.272SS..Hα-helixtrans-59.6-42.917400000111.1M168 Q169 D175 Q176M168-A172 WeakPolarHBondContact O-CB 3.02Å; M168-A172 PolarHBondContact O-N 3.1Å; M168-A172 VanDerWaalsContact O-N 3.08Å; Q169-A172 PolarHBondContact O-N 3.33Å; A172-D175 PolarHBondContact O-N 2.85Å; A172-Q176 WeakPolarHBondContact O-CB 3.44Å; A172-Q176 PolarHBondContact O-N 3.34Å
173L94.7Very high91.8Very high58 Ų5852 Ų5230%0.30428%0.276SS..Hα-helixtrans-65.9-40.4176.6-174.960.3000112.3Q169 A170 I171 D175 Q176 T177 Y265 M269Q169-L173 WeakPolarHBondContact O-CB 3.38Å; Q169-L173 PolarHBondContact O-N 3.45Å; A170-L173 PolarHBondContact O-N 3.39Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.44Å; L173-D175 VanDerWaalsContact C-N 3.35Å; L173-Q176 PolarHBondContact O-N 3.49Å; L173-T177 VanDerWaalsContact O-CB 3.23Å; L173-T177 WeakPolarHBondContact O-CB 3.38Å; L173-T177 PolarHBondContact O-N 2.79Å; L173-T177 PolarHBondContact O-OG1 3.14Å; L173-Y265 HydrophobicContact CD2-CE1 4.01Å; L173-Y265 WeakPolarHBondContact CD2-OH 3.34Å; L173-Y265 HydrophobicContact CG-CE1 4.48Å; L173-M269 HydrophobicContact CD2-CE 3.92Å; L173-M269 HydrophobicContact CD2-CG 4.45Å; L173-M269 HydrophobicContact CD2-SD 4.23Å
174V94.9Very high93Very high2 Ų252 Ų521%0.01227%0.27CS..Hα-helixtrans-62-43.7175.7166.60000111.2A170 I171 G178 M269 L270A170-V174 VanDerWaalsContact O-CG2 3.31Å; A170-V174 WeakPolarHBondContact O-CG2 3.43Å; A170-V174 PolarHBondContact O-N 3.11Å; I171-V174 PolarHBondContact O-N 2.83Å; V174-G178 PolarHBondContact O-N 3.16Å; V174-M269 HydrophobicContact CG2-CB 3.68Å; V174-L270 HydrophobicContact CG1-CD2 3.71Å; V174-L270 HydrophobicContact CG1-CG 4.3Å; V174-L270 HydrophobicContact CG2-CD2 4.12Å; V174-L270 HydrophobicContact CG2-CG 4.46Å
175D93.4Very high93.5Very high54 Ų5451.6 Ų51.629%0.28927%0.268SS..Hα-helixtrans-70.7-36.9-179.7-75.5-18.3000111.5I171 A172 L173 K179 R295I171-D175 WeakPolarHBondContact O-CB 3.18Å; I171-D175 PolarHBondContact O-N 3.31Å; A172-D175 PolarHBondContact O-N 2.85Å; L173-D175 VanDerWaalsContact C-N 3.35Å; D175-K179 WeakPolarHBondContact O-CG 3.32Å; D175-K179 PolarHBondContact O-N 3.23Å; D175-R295 IonicContact OD1-CZ 3.86Å; D175-R295 IonicContact OD1-NE 3.65Å; D175-R295 PolarHBondContact OD1-NE 3.14Å; D175-R295 IonicContact OD1-NH2 3.75Å; D175-R295 PolarHBondContact OD1-NH2 3.18Å; D175-R295 IonicContact OD2-CZ 3.53Å; D175-R295 IonicContact OD2-NE 3.46Å; D175-R295 PolarHBondContact OD2-NE 3.17Å; D175-R295 VanDerWaalsContact OD2-NE 3.13Å; D175-R295 IonicContact OD2-NH2 2.75Å
176Q95.7Very high93.8Very high110 Ų11052.4 Ų52.451%0.51427%0.27SS..Hα-helixtrans-67.1-51.3173.3-178.5171.5-1.600111.6A172 L173 G178 K179 D180A172-Q176 WeakPolarHBondContact O-CB 3.44Å; A172-Q176 PolarHBondContact O-N 3.34Å; L173-Q176 PolarHBondContact O-N 3.49Å; Q176-G178 PolarHBondContact O-N 3.33Å; Q176-K179 WeakPolarHBondContact O-CB 3.45Å; Q176-K179 PolarHBondContact O-N 3.4Å; Q176-D180 WeakPolarHBondContact CG-OD2 3.31Å; Q176-D180 PolarHBondContact O-N 2.81Å
177T94.9Very high94Very high9 Ų954.2 Ų54.26%0.05527%0.271CS..Hα-helixtrans-56.4-37.1178.3-55.60000111.3L173 K179 D180 I181 R266L173-T177 VanDerWaalsContact O-CB 3.23Å; L173-T177 WeakPolarHBondContact O-CB 3.38Å; L173-T177 PolarHBondContact O-N 2.79Å; L173-T177 PolarHBondContact O-OG1 3.14Å; T177-K179 PolarHBondContact O-N 3.46Å; T177-D180 PolarHBondContact O-N 2.86Å; T177-I181 HydrophobicContact CG2-CD1 3.72Å; T177-I181 HydrophobicContact CG2-CG1 4.23Å; T177-I181 WeakPolarHBondContact O-CB 3.43Å; T177-I181 WeakPolarHBondContact O-CD1 3.46Å; T177-I181 WeakPolarHBondContact O-CG1 3.43Å; T177-I181 PolarHBondContact O-N 2.9Å; T177-R266 HydrophobicContact CG2-CB 3.98Å
178G93.6Very high94.1Very high11 Ų1154.2 Ų54.211%0.11327%0.271CS..Hα-helixtrans-62.5-39.9174.500000113.9V174 Q176 N182V174-G178 PolarHBondContact O-N 3.16Å; Q176-G178 PolarHBondContact O-N 3.33Å; G178-N182 PolarHBondContact O-N 3.21Å; G178-N182 PolarHBondContact O-ND2 3.34Å; G178-N182 VanDerWaalsContact O-ND2 3.15Å
179K95.3Very high94.1Very high143 Ų14354 Ų5462%0.62227%0.269SS*.Hα-helixtrans-70.4-40176.1-66.6170.1-174.11710111.7D175 Q176 T177 N182 T183D175-K179 WeakPolarHBondContact O-CG 3.32Å; D175-K179 PolarHBondContact O-N 3.23Å; Q176-K179 WeakPolarHBondContact O-CB 3.45Å; Q176-K179 PolarHBondContact O-N 3.4Å; T177-K179 PolarHBondContact O-N 3.46Å; K179-N182 PolarHBondContact O-N 2.99Å; K179-T183 PolarHBondContact O-N 3.3Å; K179-T183 PolarHBondContact O-OG1 3.19Å
180D95.3Very high94Very high61 Ų6152.8 Ų52.833%0.32626%0.263SS..Hα-helixtrans-66.4-46.6179.8-64.1-14.9000110.4Q176 T177 N182 T183 F184Q176-D180 WeakPolarHBondContact CG-OD2 3.31Å; Q176-D180 PolarHBondContact O-N 2.81Å; T177-D180 PolarHBondContact O-N 2.86Å; D180-N182 VanDerWaalsContact C-N 3.31Å; D180-N182 PolarHBondContact O-N 3.15Å; D180-T183 PolarHBondContact O-N 3.33Å; D180-T183 VanDerWaalsContact O-N 3.11Å; D180-F184 HydrophobicContact CB-CD2 4.38Å; D180-F184 HydrophobicContact CB-CE2 3.94Å; D180-F184 HydrophobicContact CB-CZ 4.48Å; D180-F184 WeakPolarHBondContact O-CB 3.48Å; D180-F184 WeakPolarHBondContact O-CD2 3.3Å; D180-F184 VanDerWaalsContact O-CG 3.24Å; D180-F184 WeakPolarHBondContact O-CG 3.23Å; D180-F184 PolarHBondContact O-N 3.08Å
181I95.5Very high93.8Very high2 Ų257.1 Ų57.11%0.0128%0.279CS..Hα-helixtrans-54.4-48.3172.7-71.3162.3000110.5T177 T183 F184 V185 V259 L262 M263 R266T177-I181 HydrophobicContact CG2-CD1 3.72Å; T177-I181 HydrophobicContact CG2-CG1 4.23Å; T177-I181 WeakPolarHBondContact O-CB 3.43Å; T177-I181 WeakPolarHBondContact O-CD1 3.46Å; T177-I181 WeakPolarHBondContact O-CG1 3.43Å; T177-I181 PolarHBondContact O-N 2.9Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 3.41Å; I181-F184 PolarHBondContact O-N 3.03Å; I181-V185 HydrophobicContact CG2-CG2 4.08Å; I181-V185 WeakPolarHBondContact O-CB 3.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.34Å; I181-V185 PolarHBondContact O-N 3.35Å; I181-V259 HydrophobicContact CG2-CG1 4.47Å; I181-L262 HydrophobicContact CD1-CB 4.48Å; I181-L262 HydrophobicContact CG1-CB 4.13Å; I181-M263 HydrophobicContact CD1-CB 4.46Å; I181-M263 HydrophobicContact CD1-CG 3.88Å; I181-M263 HydrophobicContact CG1-CG 4.21Å; I181-M263 HydrophobicContact CG2-CE 4.33Å; I181-M263 HydrophobicContact CG2-CG 3.87Å; I181-M263 HydrophobicContact CG2-SD 4.31Å; I181-R266 HydrophobicContact CD1-CB 4.22Å
182N94Very high93.6Very high76 Ų7657.3 Ų57.341%0.40628%0.28SS..Hα-helixtrans-58.7-44.5178.6-72.7-27.2000111.7G178 K179 D180 V185 M186 Q206G178-N182 PolarHBondContact O-N 3.21Å; G178-N182 PolarHBondContact O-ND2 3.34Å; G178-N182 VanDerWaalsContact O-ND2 3.15Å; K179-N182 PolarHBondContact O-N 2.99Å; D180-N182 VanDerWaalsContact C-N 3.31Å; D180-N182 PolarHBondContact O-N 3.15Å; N182-V185 PolarHBondContact O-N 3.38Å; N182-M186 VanDerWaalsContact O-CG 3.28Å; N182-M186 WeakPolarHBondContact O-CG 3.3Å; N182-M186 PolarHBondContact O-N 2.88Å; N182-Q206 PolarHBondContact OD1-NE2 3.19Å; N182-Q206 PolarHBondContact OD1-OE1 3.05Å
183T96.1Very high93.3Very high92 Ų9257 Ų5756%0.56428%0.275SS*.Hα-helixtrans-65.9-43.3-179.8-54.60000111.4K179 D180 I181 M186 R187K179-T183 PolarHBondContact O-N 3.3Å; K179-T183 PolarHBondContact O-OG1 3.19Å; D180-T183 PolarHBondContact O-N 3.33Å; D180-T183 VanDerWaalsContact O-N 3.11Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 3.41Å; T183-M186 PolarHBondContact O-N 2.98Å; T183-R187 PolarHBondContact O-N 3.04Å; T183-R187 VanDerWaalsContact O-N 3.07Å
184F94.9Very high93Very high72 Ų7261.5 Ų61.532%0.31629%0.289SS..Hα-helixtrans-66.5-41.4177.5-63.5-35.6000112.3D180 I181 M186 R187 I188 F255 V259 L262D180-F184 HydrophobicContact CB-CD2 4.38Å; D180-F184 HydrophobicContact CB-CE2 3.94Å; D180-F184 HydrophobicContact CB-CZ 4.48Å; D180-F184 WeakPolarHBondContact O-CB 3.48Å; D180-F184 WeakPolarHBondContact O-CD2 3.3Å; D180-F184 VanDerWaalsContact O-CG 3.24Å; D180-F184 WeakPolarHBondContact O-CG 3.23Å; D180-F184 PolarHBondContact O-N 3.08Å; I181-F184 PolarHBondContact O-N 3.03Å; F184-M186 VanDerWaalsContact C-N 3.33Å; F184-M186 PolarHBondContact O-N 3.36Å; F184-R187 WeakPolarHBondContact O-CB 3.44Å; F184-R187 PolarHBondContact O-N 2.92Å; F184-R187 VanDerWaalsContact O-N 3.12Å; F184-I188 WeakPolarHBondContact O-CG1 3.47Å; F184-I188 PolarHBondContact O-N 2.96Å; F184-F255 HydrophobicContact CB-CE2 4.2Å; F184-F255 HydrophobicContact CB-CZ 3.77Å; F184-F255 HydrophobicContact CD1-CE2 4.11Å; F184-F255 AromaticContact CD1-CZ 3.78Å; F184-F255 HydrophobicContact CD1-CZ 3.78Å; F184-F255 HydrophobicContact CG-CE2 4.17Å; F184-F255 AromaticContact CG-CZ 3.99Å; F184-F255 HydrophobicContact CG-CZ 3.99Å; F184-V259 HydrophobicContact CB-CG2 3.57Å; F184-V259 HydrophobicContact CD2-CG2 4.39Å; F184-V259 HydrophobicContact CG-CG2 4.33Å; F184-L262 HydrophobicContact CD2-CD1 3.85Å; F184-L262 HydrophobicContact CE2-CD1 3.75Å
185V93.3Very high92.5Very high0 Ų064 Ų640%030%0.3CS..Hα-helixtrans-64.1-39.6176.4173.90000111I181 N182 R187 I188 R189 Q206 V259I181-V185 HydrophobicContact CG2-CG2 4.08Å; I181-V185 WeakPolarHBondContact O-CB 3.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.34Å; I181-V185 PolarHBondContact O-N 3.35Å; N182-V185 PolarHBondContact O-N 3.38Å; V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.46Å; V185-I188 PolarHBondContact O-N 3.29Å; V185-R189 HydrophobicContact CG1-CG 4.42Å; V185-R189 WeakPolarHBondContact O-CB 3.37Å; V185-R189 VanDerWaalsContact O-CG 3.23Å; V185-R189 WeakPolarHBondContact O-CG 3.35Å; V185-R189 PolarHBondContact O-N 2.83Å; V185-Q206 HydrophobicContact CB-CG 4.44Å; V185-Q206 HydrophobicContact CG1-CB 3.96Å; V185-Q206 HydrophobicContact CG1-CG 3.85Å; V185-Q206 HydrophobicContact CG2-CB 4.02Å; V185-Q206 HydrophobicContact CG2-CG 4.4Å; V185-V259 HydrophobicContact CG2-CG1 3.76Å
186M93.1Very high92.2Very high90 Ų9061.7 Ų61.744%0.44329%0.287SS..Hα-helixtrans-62-38173.6-69-55.4-63.300111.8N182 T183 F184 R189 E190N182-M186 VanDerWaalsContact O-CG 3.28Å; N182-M186 WeakPolarHBondContact O-CG 3.3Å; N182-M186 PolarHBondContact O-N 2.88Å; T183-M186 PolarHBondContact O-N 2.98Å; F184-M186 VanDerWaalsContact C-N 3.33Å; F184-M186 PolarHBondContact O-N 3.36Å; M186-R189 WeakPolarHBondContact O-CB 3.33Å; M186-R189 PolarHBondContact O-N 3.49Å; M186-E190 WeakPolarHBondContact O-CG 3.36Å; M186-E190 PolarHBondContact O-N 3.4Å; M186-E190 VanDerWaalsContact O-N 3.07Å
187R93.8Very high91.7Very high149 Ų14958.9 Ų58.956%0.56228%0.279SS*.Hα-helixtrans-67.8-43.1174.8-177.556.959.1152.8-0.1113.1T183 F184 V185 R189 E190 W191 F255T183-R187 PolarHBondContact O-N 3.04Å; T183-R187 VanDerWaalsContact O-N 3.07Å; F184-R187 WeakPolarHBondContact O-CB 3.44Å; F184-R187 PolarHBondContact O-N 2.92Å; F184-R187 VanDerWaalsContact O-N 3.12Å; V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.46Å; R187-R189 VanDerWaalsContact C-N 3.27Å; R187-R189 PolarHBondContact O-N 3.01Å; R187-E190 PolarHBondContact O-N 2.92Å; R187-W191 WeakPolarHBondContact O-CB 3.39Å; R187-W191 PolarHBondContact O-N 3.03Å; R187-F255 HydrophobicContact CB-CE1 4.16Å; R187-F255 HydrophobicContact CG-CE1 3.97Å
188I92.1Very high91.2Very high0 Ų060.8 Ų60.80%029%0.287CS..Hα-helixtrans-59.8-43.2174.8-67.4170.4000109.6F184 V185 W191 Y192 Y209 V252 F255 C256 V259F184-I188 WeakPolarHBondContact O-CG1 3.47Å; F184-I188 PolarHBondContact O-N 2.96Å; V185-I188 PolarHBondContact O-N 3.29Å; I188-W191 PolarHBondContact O-N 3.47Å; I188-Y192 WeakPolarHBondContact O-CB 3.33Å; I188-Y192 PolarHBondContact O-N 3.3Å; I188-Y209 HydrophobicContact CG2-CE1 4.06Å; I188-V252 HydrophobicContact CG2-CG1 4.47Å; I188-F255 HydrophobicContact CD1-CD1 3.98Å; I188-F255 HydrophobicContact CD1-CE1 4.16Å; I188-F255 HydrophobicContact CD1-CG 4.31Å; I188-F255 HydrophobicContact CG1-CD1 3.27Å; I188-F255 HydrophobicContact CG1-CE1 3.4Å; I188-F255 VanDerWaalsContact CG1-CE1 3.4Å; I188-F255 HydrophobicContact CG1-CG 4.07Å; I188-F255 HydrophobicContact CG1-CZ 4.29Å; I188-C256 VanDerWaalsContact CG2-SG 3.54Å; I188-V259 HydrophobicContact CD1-CB 3.97Å; I188-V259 HydrophobicContact CD1-CG1 4.44Å; I188-V259 HydrophobicContact CD1-CG2 3.55Å
189R90.9Very high90.8Very high21 Ų2160.3 Ų60.38%0.07928%0.282CS..Hα-helixtrans-57.7-53177.3-76.4169.7175.4-176.4-5.3111.5V185 M186 R187 W191 Y192 S193 P204 Y209V185-R189 HydrophobicContact CG1-CG 4.42Å; V185-R189 WeakPolarHBondContact O-CB 3.37Å; V185-R189 VanDerWaalsContact O-CG 3.23Å; V185-R189 WeakPolarHBondContact O-CG 3.35Å; V185-R189 PolarHBondContact O-N 2.83Å; M186-R189 WeakPolarHBondContact O-CB 3.33Å; M186-R189 PolarHBondContact O-N 3.49Å; R187-R189 VanDerWaalsContact C-N 3.27Å; R187-R189 PolarHBondContact O-N 3.01Å; R189-W191 VanDerWaalsContact C-N 3.28Å; R189-W191 PolarHBondContact O-N 3.22Å; R189-Y192 PolarHBondContact O-N 3.23Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.37Å; R189-S193 PolarHBondContact O-OG 2.84Å; R189-P204 PolarHBondContact NH2-O 3.08Å; R189-Y209 HydrophobicContact CB-CE1 4.34Å; R189-Y209 HydrophobicContact CG-CD1 3.97Å; R189-Y209 HydrophobicContact CG-CE1 3.51Å; R189-Y209 HydrophobicContact CG-CE2 4.2Å
190E90.9Very high90.3Very high109 Ų10958.9 Ų58.951%0.50927%0.273SS..Hα-helixtrans-58.6-39.5178.2-72.5173.2-174.100112.6M186 R187 Y194M186-E190 WeakPolarHBondContact O-CG 3.36Å; M186-E190 PolarHBondContact O-N 3.4Å; M186-E190 VanDerWaalsContact O-N 3.07Å; R187-E190 PolarHBondContact O-N 2.92Å; E190-Y194 VanDerWaalsContact O-CD2 3.22Å; E190-Y194 WeakPolarHBondContact O-CD2 3.32Å; E190-Y194 VanDerWaalsContact O-CE2 3.29Å; E190-Y194 WeakPolarHBondContact O-CE2 3.42Å
191W89.8Confident89.8Confident95 Ų9564.7 Ų64.736%0.3630%0.296SS..Hα-helixtrans-73.5-45.3-178.5-162.8-4000112.5R187 I188 R189 Y194 N251 V252 F255R187-W191 WeakPolarHBondContact O-CB 3.39Å; R187-W191 PolarHBondContact O-N 3.03Å; I188-W191 PolarHBondContact O-N 3.47Å; R189-W191 VanDerWaalsContact C-N 3.28Å; R189-W191 PolarHBondContact O-N 3.22Å; W191-Y194 WeakPolarHBondContact O-CD2 3.41Å; W191-N251 HydrophobicContact CH2-CB 3.65Å; W191-N251 HydrophobicContact CZ2-CB 4.03Å; W191-V252 HydrophobicContact CB-CG2 4.42Å; W191-V252 HydrophobicContact CD2-CG2 3.51Å; W191-V252 HydrophobicContact CE3-CG2 3.92Å; W191-V252 HydrophobicContact CG-CG2 3.72Å; W191-V252 HydrophobicContact CZ2-CG2 4.24Å; W191-V252 HydrophobicContact CZ3-CG2 4.44Å; W191-F255 HydrophobicContact CE3-CD1 4.46Å
192Y89.3Confident89.3Confident6 Ų666.9 Ų66.92%0.02431%0.307CS..Hα-helixtrans-76.8-24.1-179.5-167.2-103000112.8I188 R189 Y194 H195 F196 L199 A213 I216 V252I188-Y192 WeakPolarHBondContact O-CB 3.33Å; I188-Y192 PolarHBondContact O-N 3.3Å; R189-Y192 PolarHBondContact O-N 3.23Å; Y192-Y194 PolarHBondContact O-N 2.88Å; Y192-Y194 VanDerWaalsContact O-N 3.15Å; Y192-H195 PolarHBondContact O-N 3.42Å; Y192-F196 HydrophobicContact CD1-CB 4.31Å; Y192-F196 HydrophobicContact CE1-CB 3.69Å; Y192-F196 HydrophobicContact CE1-CD1 4.17Å; Y192-F196 HydrophobicContact CE1-CG 4.43Å; Y192-F196 PolarHBondContact O-N 3.15Å; Y192-L199 HydrophobicContact CD1-CD2 3.83Å; Y192-L199 HydrophobicContact CE1-CD2 3.49Å; Y192-L199 VanDerWaalsContact CE1-CD2 3.49Å; Y192-A213 HydrophobicContact CD1-CB 4.16Å; Y192-A213 HydrophobicContact CD2-CB 4.23Å; Y192-A213 HydrophobicContact CE1-CB 4.21Å; Y192-A213 HydrophobicContact CE2-CB 4.28Å; Y192-A213 HydrophobicContact CG-CB 4.15Å; Y192-I216 WeakPolarHBondContact OH-CG2 3.25Å; Y192-V252 HydrophobicContact CD2-CG1 3.98Å
193S88.9Confident88.9Confident37 Ų3763.3 Ų63.326%0.25929%0.288SS..THydrogen-bonded Turntrans-61.2-19.8175.5-79.40000114R189 H195 P197R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.37Å; R189-S193 PolarHBondContact O-OG 2.84Å; S193-H195 VanDerWaalsContact C-N 3.31Å; S193-P197 WeakPolarHBondContact O-CA 3.47Å; S193-P197 WeakPolarHBondContact O-CB 3.5Å; S193-P197 VanDerWaalsContact O-CD 3.3Å; S193-P197 WeakPolarHBondContact O-CD 3.36Å
194Y87.3Confident88.3Confident153 Ų15363.1 Ų63.160%0.629%0.289SS*.THydrogen-bonded Turntrans-65.3-36.7170.1-71.6-80000111.8E190 W191 Y192 G241 M242E190-Y194 VanDerWaalsContact O-CD2 3.22Å; E190-Y194 WeakPolarHBondContact O-CD2 3.32Å; E190-Y194 VanDerWaalsContact O-CE2 3.29Å; E190-Y194 WeakPolarHBondContact O-CE2 3.42Å; W191-Y194 WeakPolarHBondContact O-CD2 3.41Å; Y192-Y194 PolarHBondContact O-N 2.88Å; Y192-Y194 VanDerWaalsContact O-N 3.15Å; Y194-G241 WeakPolarHBondContact O-CA 3.42Å; Y194-M242 HydrophobicContact CD1-SD 4.24Å; Y194-M242 WeakPolarHBondContact O-CG 2.94Å; Y194-M242 PolarHBondContact O-N 2.91Å
195H85.2Confident88Confident55 Ų5563.3 Ų63.326%0.25529%0.293SS..THydrogen-bonded Turntrans-86.4-42.7179.3-174.351.9000112.9Y192 S193 S239 G241 M242 V244 L249Y192-H195 PolarHBondContact O-N 3.42Å; S193-H195 VanDerWaalsContact C-N 3.31Å; H195-S239 PolarHBondContact O-OG 2.89Å; H195-G241 WeakPolarHBondContact O-CA 3.5Å; H195-M242 PolarHBondContact ND1-O 2.81Å; H195-M242 VanDerWaalsContact ND1-O 3.12Å; H195-V244 HydrophobicContact CB-CG2 3.84Å; H195-L249 HydrophobicContact CB-CD2 4.48Å
196F86.2Confident87.7Confident4 Ų465.6 Ų65.62%0.01830%0.303CS..  trans-143.282.8-178.4-171.7-163.5000111.6Y192 E198 L199 I216 V232 A235Y192-F196 HydrophobicContact CD1-CB 4.31Å; Y192-F196 HydrophobicContact CE1-CB 3.69Å; Y192-F196 HydrophobicContact CE1-CD1 4.17Å; Y192-F196 HydrophobicContact CE1-CG 4.43Å; Y192-F196 PolarHBondContact O-N 3.15Å; F196-E198 VanDerWaalsContact C-N 3.32Å; F196-E198 HydrophobicContact CD2-CB 4.25Å; F196-E198 VanDerWaalsContact CD2-OE2 3.23Å; F196-E198 WeakPolarHBondContact CD2-OE2 3.45Å; F196-E198 HydrophobicContact CE2-CB 3.76Å; F196-E198 PolarHBondContact O-N 2.94Å; F196-L199 HydrophobicContact CD1-CB 3.64Å; F196-L199 HydrophobicContact CD1-CD1 4.32Å; F196-L199 HydrophobicContact CD1-CD2 4.36Å; F196-L199 HydrophobicContact CD1-CG 4.31Å; F196-L199 HydrophobicContact CE1-CB 3.84Å; F196-L199 HydrophobicContact CE1-CD1 3.96Å; F196-L199 HydrophobicContact CE1-CG 4.38Å; F196-L199 HydrophobicContact CG-CB 4.02Å; F196-L199 HydrophobicContact CZ-CB 4.39Å; F196-I216 HydrophobicContact CD1-CD1 4.01Å; F196-I216 HydrophobicContact CE1-CD1 3.98Å; F196-V232 HydrophobicContact CE1-CG1 4.06Å; F196-A235 HydrophobicContact CE2-CB 4Å; F196-A235 HydrophobicContact CZ-CB 3.75Å
197P85.4Confident87.5Confident52 Ų5265.4 Ų65.434%0.33830%0.298SS..THydrogen-bonded Turntrans-66.7-28.9-175.521.8-28.5000113.9S193 L199S193-P197 WeakPolarHBondContact O-CA 3.47Å; S193-P197 WeakPolarHBondContact O-CB 3.5Å; S193-P197 VanDerWaalsContact O-CD 3.3Å; S193-P197 WeakPolarHBondContact O-CD 3.36Å; P197-L199 VanDerWaalsContact C-N 3.32Å; P197-L199 PolarHBondContact O-N 3.04Å
198E85.2Confident87.2Confident49 Ų4960.6 Ų60.623%0.22928%0.284CS..THydrogen-bonded Turntrans-74.1-21.6-175.6-58.378.5-175.900113F196 Y200 K201 L202F196-E198 VanDerWaalsContact C-N 3.32Å; F196-E198 HydrophobicContact CD2-CB 4.25Å; F196-E198 VanDerWaalsContact CD2-OE2 3.23Å; F196-E198 WeakPolarHBondContact CD2-OE2 3.45Å; F196-E198 HydrophobicContact CE2-CB 3.76Å; F196-E198 PolarHBondContact O-N 2.94Å; E198-Y200 PolarHBondContact O-N 3.32Å; E198-Y200 VanDerWaalsContact O-N 3.1Å; E198-K201 PolarHBondContact O-N 2.98Å; E198-L202 PolarHBondContact O-N 3.42Å
199L85.4Confident87Confident0 Ų060.6 Ų60.60%028%0.284CS..Hα-helixtrans-54.6-36-178.2-176.262000112.6Y192 F196 P197 K201 L202 V203 Y209 C212 I216 V232Y192-L199 HydrophobicContact CD1-CD2 3.83Å; Y192-L199 HydrophobicContact CE1-CD2 3.49Å; Y192-L199 VanDerWaalsContact CE1-CD2 3.49Å; F196-L199 HydrophobicContact CD1-CB 3.64Å; F196-L199 HydrophobicContact CD1-CD1 4.32Å; F196-L199 HydrophobicContact CD1-CD2 4.36Å; F196-L199 HydrophobicContact CD1-CG 4.31Å; F196-L199 HydrophobicContact CE1-CB 3.84Å; F196-L199 HydrophobicContact CE1-CD1 3.96Å; F196-L199 HydrophobicContact CE1-CG 4.38Å; F196-L199 HydrophobicContact CG-CB 4.02Å; F196-L199 HydrophobicContact CZ-CB 4.39Å; P197-L199 VanDerWaalsContact C-N 3.32Å; P197-L199 PolarHBondContact O-N 3.04Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.11Å; L199-L202 PolarHBondContact O-N 3.22Å; L199-V203 HydrophobicContact CD1-CG2 4.07Å; L199-V203 PolarHBondContact O-N 3.35Å; L199-Y209 HydrophobicContact CB-CE2 3.96Å; L199-Y209 HydrophobicContact CD2-CD2 3.98Å; L199-Y209 HydrophobicContact CD2-CE2 3.62Å; L199-Y209 HydrophobicContact CG-CD2 3.86Å; L199-Y209 HydrophobicContact CG-CE2 3.57Å; L199-C212 HydrophobicContact CD1-CB 3.99Å; L199-C212 HydrophobicContact CD2-CB 4.18Å; L199-I216 HydrophobicContact CD1-CD1 4.19Å; L199-I216 HydrophobicContact CD2-CD1 4.3Å; L199-V232 HydrophobicContact CD1-CG1 3.97Å; L199-V232 HydrophobicContact CD1-CG2 4.21Å
200Y83.9Confident86.8Confident113 Ų11359.6 Ų59.644%0.44328%0.28SS..Hα-helixtrans-64.6-37-178.2175-125.7000112.9E198 L202 V203E198-Y200 PolarHBondContact O-N 3.32Å; E198-Y200 VanDerWaalsContact O-N 3.1Å; Y200-L202 VanDerWaalsContact C-N 3.34Å; Y200-V203 CarbonylContact O-C 3.46Å
201K85.4Confident86.6Confident184 Ų18455.8 Ų55.880%0.826%0.263SS*.Hα-helixtrans-70.3-34.3178.5-67.8-179.4-178.2173.20111.6E198 L199E198-K201 PolarHBondContact O-N 2.98Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.11Å
202L84.6Confident86.2Confident47 Ų4751.7 Ų51.725%0.24625%0.249CC..Hα-helixtrans-76.8-38.1-179.8-62.3174.2000112.2E198 L199 Y200 P204 E231 V232 A235E198-L202 PolarHBondContact O-N 3.42Å; L199-L202 PolarHBondContact O-N 3.22Å; Y200-L202 VanDerWaalsContact C-N 3.34Å; L202-P204 WeakPolarHBondContact O-CD 3.47Å; L202-E231 HydrophobicContact CD2-CB 4.46Å; L202-V232 HydrophobicContact CB-CG2 4.22Å; L202-V232 HydrophobicContact CD1-CG2 3.99Å; L202-A235 HydrophobicContact CD1-CB 3.59Å
203V85Confident85.9Confident2 Ų251.7 Ų51.71%0.01225%0.25CC..  trans-124.686.3-174.4-169.10000110.7L199 Y200 D205 L208 V232L199-V203 HydrophobicContact CD1-CG2 4.07Å; L199-V203 PolarHBondContact O-N 3.35Å; Y200-V203 CarbonylContact O-C 3.46Å; V203-D205 VanDerWaalsContact C-N 3.29Å; V203-D205 PolarHBondContact O-N 3.34Å; V203-L208 HydrophobicContact CG1-CB 3.43Å; V203-L208 VanDerWaalsContact CG1-CB 3.43Å; V203-V232 HydrophobicContact CG2-CG2 4.16Å
204P84.3Confident85.4Confident88 Ų8851 Ų5157%0.57125%0.245SC*.  trans-72.4-24.1176.427.9-34.6000112.9R189 L202R189-P204 PolarHBondContact NH2-O 3.08Å; L202-P204 WeakPolarHBondContact O-CD 3.47Å
205D87.5Confident84.7Confident75 Ų7549.3 Ų49.340%0.40124%0.239SC..SBendtrans-68.2129.6178.4-177.7-91.4000111.2V203 Y207 L208 Y209V203-D205 VanDerWaalsContact C-N 3.29Å; V203-D205 PolarHBondContact O-N 3.34Å; D205-Y207 WeakPolarHBondContact OD1-CB 3.35Å; D205-Y207 PolarHBondContact OD1-N 3.46Å; D205-L208 HydrophobicContact CB-CB 4.15Å; D205-L208 HydrophobicContact CB-CD1 4.06Å; D205-L208 HydrophobicContact CB-CG 4.26Å; D205-L208 PolarHBondContact OD1-N 3.02Å; D205-Y209 VanDerWaalsContact O-CB 3.22Å; D205-Y209 WeakPolarHBondContact O-CB 3.41Å; D205-Y209 PolarHBondContact O-N 3.17Å
206Q88.2Confident83.8Confident48 Ų4848.7 Ų48.722%0.22424%0.237CC..Hα-helixtrans-68.3-37.6-173.1-63.4-178-23.100113N182 V185 C210 M263N182-Q206 PolarHBondContact OD1-NE2 3.19Å; N182-Q206 PolarHBondContact OD1-OE1 3.05Å; V185-Q206 HydrophobicContact CB-CG 4.44Å; V185-Q206 HydrophobicContact CG1-CB 3.96Å; V185-Q206 HydrophobicContact CG1-CG 3.85Å; V185-Q206 HydrophobicContact CG2-CB 4.02Å; V185-Q206 HydrophobicContact CG2-CG 4.4Å; Q206-C210 PolarHBondContact O-N 3.25Å; Q206-C210 PolarHBondContact O-SG 3.12Å; Q206-M263 HydrophobicContact CB-CE 4.17Å
207Y88.3Confident82.4Confident86 Ų8652.2 Ų52.234%0.33726%0.256SS..Hα-helixtrans-71.8-49.5-178.2178.6-101.9000110.3D205 Y209 C210 L211 I260 M263D205-Y207 WeakPolarHBondContact OD1-CB 3.35Å; D205-Y207 PolarHBondContact OD1-N 3.46Å; Y207-Y209 VanDerWaalsContact C-N 3.27Å; Y207-Y209 PolarHBondContact O-N 2.83Å; Y207-C210 PolarHBondContact O-N 2.92Å; Y207-L211 HydrophobicContact CD1-CD1 3.78Å; Y207-L211 HydrophobicContact CD1-CG 4.49Å; Y207-L211 HydrophobicContact CE1-CD1 3.27Å; Y207-L211 HydrophobicContact CE1-CG 4.16Å; Y207-L211 PolarHBondContact O-N 3.38Å; Y207-I260 HydrophobicContact CE2-CG2 4.06Å; Y207-M263 HydrophobicContact CD2-CE 4.44Å; Y207-M263 HydrophobicContact CD2-SD 3.9Å; Y207-M263 HydrophobicContact CG-SD 4.47Å
208L86.7Confident80.7Confident48 Ų4852.3 Ų52.325%0.25126%0.258SS..Hα-helixtrans-61.6-36.6176.2-67.2176.8000111.7V203 D205 L211 C212 V225V203-L208 HydrophobicContact CG1-CB 3.43Å; V203-L208 VanDerWaalsContact CG1-CB 3.43Å; D205-L208 HydrophobicContact CB-CB 4.15Å; D205-L208 HydrophobicContact CB-CD1 4.06Å; D205-L208 HydrophobicContact CB-CG 4.26Å; D205-L208 PolarHBondContact OD1-N 3.02Å; L208-L211 PolarHBondContact O-N 2.87Å; L208-C212 WeakPolarHBondContact O-CB 3.49Å; L208-C212 PolarHBondContact O-N 3.07Å; L208-C212 PolarHBondContact O-SG 3.39Å; L208-V225 HydrophobicContact CD2-CG2 4.47Å
209Y88.4Confident78.9Confident0 Ų059.9 Ų59.90%029%0.29CS..Hα-helixtrans-61.9-47.1176.9-175.8-87.2000111.7I188 R189 L199 D205 Y207 L211 C212 A213I188-Y209 HydrophobicContact CG2-CE1 4.06Å; R189-Y209 HydrophobicContact CB-CE1 4.34Å; R189-Y209 HydrophobicContact CG-CD1 3.97Å; R189-Y209 HydrophobicContact CG-CE1 3.51Å; R189-Y209 HydrophobicContact CG-CE2 4.2Å; L199-Y209 HydrophobicContact CB-CE2 3.96Å; L199-Y209 HydrophobicContact CD2-CD2 3.98Å; L199-Y209 HydrophobicContact CD2-CE2 3.62Å; L199-Y209 HydrophobicContact CG-CD2 3.86Å; L199-Y209 HydrophobicContact CG-CE2 3.57Å; D205-Y209 VanDerWaalsContact O-CB 3.22Å; D205-Y209 WeakPolarHBondContact O-CB 3.41Å; D205-Y209 PolarHBondContact O-N 3.17Å; Y207-Y209 VanDerWaalsContact C-N 3.27Å; Y207-Y209 PolarHBondContact O-N 2.83Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 3.38Å; Y209-C212 PolarHBondContact O-N 3.22Å; Y209-A213 WeakPolarHBondContact O-CB 3Å; Y209-A213 PolarHBondContact O-N 2.83Å
210C87.7Confident76.7Confident0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-63.7-39.9177.8-62.10000111.6Q206 Y207 A213 S214 C256 I260Q206-C210 PolarHBondContact O-N 3.25Å; Q206-C210 PolarHBondContact O-SG 3.12Å; Y207-C210 PolarHBondContact O-N 2.92Å; C210-A213 PolarHBondContact O-N 3Å; C210-S214 PolarHBondContact O-N 3.5Å; C210-S214 VanDerWaalsContact O-N 3.08Å; C210-S214 PolarHBondContact O-OG 2.93Å; C210-C256 HydrophobicContact CB-CB 4.32Å; C210-I260 HydrophobicContact CB-CD1 4Å; C210-I260 HydrophobicContact CB-CG1 3.9Å
211L85.5Confident74.6Confident30 Ų3061.7 Ų61.716%0.15733%0.327CS..Hα-helixtrans-61.6-51.3174-72176.2000111.2Y207 L208 Y209 A213 S214 Y215 I260Y207-L211 HydrophobicContact CD1-CD1 3.78Å; Y207-L211 HydrophobicContact CD1-CG 4.49Å; Y207-L211 HydrophobicContact CE1-CD1 3.27Å; Y207-L211 HydrophobicContact CE1-CG 4.16Å; Y207-L211 PolarHBondContact O-N 3.38Å; L208-L211 PolarHBondContact O-N 2.87Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 3.38Å; L211-A213 VanDerWaalsContact C-N 3.31Å; L211-A213 PolarHBondContact O-N 3.01Å; L211-S214 PolarHBondContact O-N 3.19Å; L211-Y215 HydrophobicContact CB-CD2 4.46Å; L211-Y215 HydrophobicContact CD2-CE2 4.14Å; L211-Y215 WeakPolarHBondContact O-CB 3.49Å; L211-Y215 VanDerWaalsContact O-CD2 3.24Å; L211-Y215 WeakPolarHBondContact O-CD2 3.41Å; L211-Y215 PolarHBondContact O-N 3.4Å; L211-I260 HydrophobicContact CD2-CD1 3.73Å; L211-I260 HydrophobicContact CG-CD1 4.23Å
212C81.6Confident72.7Confident9 Ų960.8 Ų60.86%0.06133%0.33CS..Hα-helixtrans-58.5-43.5179.1-70.50000111.8L199 L208 Y209 S214 Y215 I216L199-C212 HydrophobicContact CD1-CB 3.99Å; L199-C212 HydrophobicContact CD2-CB 4.18Å; L208-C212 WeakPolarHBondContact O-CB 3.49Å; L208-C212 PolarHBondContact O-N 3.07Å; L208-C212 PolarHBondContact O-SG 3.39Å; Y209-C212 PolarHBondContact O-N 3.22Å; C212-S214 VanDerWaalsContact C-N 3.32Å; C212-S214 PolarHBondContact O-N 3.43Å; C212-Y215 PolarHBondContact O-N 3.37Å; C212-I216 HydrophobicContact CB-CD1 4.13Å; C212-I216 WeakPolarHBondContact O-CB 3.29Å; C212-I216 VanDerWaalsContact O-CD1 3.31Å; C212-I216 WeakPolarHBondContact O-CD1 3.29Å; C212-I216 WeakPolarHBondContact O-CG1 3.44Å; C212-I216 PolarHBondContact O-N 3.04Å
213A82.3Confident71.2Confident5 Ų560.1 Ų60.14%0.04133%0.327CS..Hα-helixtrans-61.2-38.8178.300000112.6Y192 Y209 C210 L211Y192-A213 HydrophobicContact CD1-CB 4.16Å; Y192-A213 HydrophobicContact CD2-CB 4.23Å; Y192-A213 HydrophobicContact CE1-CB 4.21Å; Y192-A213 HydrophobicContact CE2-CB 4.28Å; Y192-A213 HydrophobicContact CG-CB 4.15Å; Y209-A213 WeakPolarHBondContact O-CB 3Å; Y209-A213 PolarHBondContact O-N 2.83Å; C210-A213 PolarHBondContact O-N 3Å; L211-A213 VanDerWaalsContact C-N 3.31Å; L211-A213 PolarHBondContact O-N 3.01Å
214S79.9Confident69.7Low24 Ų2465 Ų6517%0.16836%0.358CS..Hα-helixtrans-69.9-40.1174.1-75.80000113.5C210 L211 C212 D253 C256C210-S214 PolarHBondContact O-N 3.5Å; C210-S214 VanDerWaalsContact O-N 3.08Å; C210-S214 PolarHBondContact O-OG 2.93Å; L211-S214 PolarHBondContact O-N 3.19Å; C212-S214 VanDerWaalsContact C-N 3.32Å; C212-S214 PolarHBondContact O-N 3.43Å; S214-D253 WeakPolarHBondContact CA-OD1 3.49Å; S214-D253 WeakPolarHBondContact CB-OD1 3.28Å; S214-D253 PolarHBondContact OG-OD1 3.25Å; S214-C256 VanDerWaalsContact OG-CB 3.22Å; S214-C256 WeakPolarHBondContact OG-CB 3.17Å
215Y72.2Confident68.3Low117 Ų11763.5 Ų63.546%0.45935%0.347SS..Hα-helixtrans-83.9-28.4-172.9-85.4-80.3000114.7L211 C212 D217 S218L211-Y215 HydrophobicContact CB-CD2 4.46Å; L211-Y215 HydrophobicContact CD2-CE2 4.14Å; L211-Y215 WeakPolarHBondContact O-CB 3.49Å; L211-Y215 VanDerWaalsContact O-CD2 3.24Å; L211-Y215 WeakPolarHBondContact O-CD2 3.41Å; L211-Y215 PolarHBondContact O-N 3.4Å; C212-Y215 PolarHBondContact O-N 3.37Å; Y215-D217 PolarHBondContact O-N 3.04Å; Y215-S218 PolarHBondContact O-N 3.32Å; Y215-S218 VanDerWaalsContact O-O 3.13Å; Y215-S218 PolarHBondContact O-OG 3.13Å
216I65.2Low67.1Low41 Ų4164.3 Ų64.321%0.2136%0.359CS..THydrogen-bonded Turntrans-64.3-26.8-176.5-73164.2000111.9Y192 F196 L199 C212 V232Y192-I216 WeakPolarHBondContact OH-CG2 3.25Å; F196-I216 HydrophobicContact CD1-CD1 4.01Å; F196-I216 HydrophobicContact CE1-CD1 3.98Å; L199-I216 HydrophobicContact CD1-CD1 4.19Å; L199-I216 HydrophobicContact CD2-CD1 4.3Å; C212-I216 HydrophobicContact CB-CD1 4.13Å; C212-I216 WeakPolarHBondContact O-CB 3.29Å; C212-I216 VanDerWaalsContact O-CD1 3.31Å; C212-I216 WeakPolarHBondContact O-CD1 3.29Å; C212-I216 WeakPolarHBondContact O-CG1 3.44Å; C212-I216 PolarHBondContact O-N 3.04Å; I216-V232 HydrophobicContact CD1-CG1 3.76Å; I216-V232 HydrophobicContact CG1-CG1 4.47Å
217D58.4Low66.2Low79 Ų7969.3 Ų69.342%0.42238%0.383SS..THydrogen-bonded Turntrans-78.2-32.8-179.7-160.124.9000112.8Y215 K219Y215-D217 PolarHBondContact O-N 3.04Å; D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.92Å
218S49.3Very low65.2Low54 Ų5468.9 Ų68.938%0.37838%0.382SS..SBendtrans-72.186.8162.663.30000108.3Y215 S220Y215-S218 PolarHBondContact O-N 3.32Å; Y215-S218 VanDerWaalsContact O-O 3.13Å; Y215-S218 PolarHBondContact O-OG 3.13Å; S218-S220 CarbonylContact O-C 3.5Å; S218-S220 PolarHBondContact O-N 3.43Å
219K47.8Very low64.4Low208 Ų20867.4 Ų67.490%0.90438%0.377SS*.  trans-50.60.1173.7-71.4178.1178.1172.20114.8D217D217-K219 VanDerWaalsContact C-N 3.26Å; D217-K219 PolarHBondContact O-N 2.92Å
220S37.7Very low63.7Low96 Ų9674.3 Ų74.367%0.67141%0.407SS*.SBendtrans-10493.9171590000112.3S218S218-S220 CarbonylContact O-C 3.5Å; S218-S220 PolarHBondContact O-N 3.43Å
221G41.3Very low63.3Low54 Ų5479.4 Ų79.456%0.55743%0.431SS*.SBendtrans101.5112.214200000118.6
222L44.7Very low63Low165 Ų16578.1 Ų78.186%0.86442%0.424SS*.  trans49.294.6145.9-57.4176.6000118
223I52.3Low62.7Low34 Ų3483 Ų8317%0.17445%0.445CS..  trans-54129.7152.9-62.2158.9000108V225 A229 V232I223-V225 PolarHBondContact O-N 3.36Å; I223-A229 HydrophobicContact CB-CB 3.65Å; I223-A229 HydrophobicContact CD1-CB 4.08Å; I223-A229 HydrophobicContact CG1-CB 4.42Å; I223-A229 HydrophobicContact CG2-CB 4.04Å; I223-V232 HydrophobicContact CD1-CB 3.95Å; I223-V232 HydrophobicContact CD1-CG1 3.77Å
224P55Low62.6Low103 Ų10388.8 Ų88.867%0.66947%0.471SS*.SBendtrans-68.33.6-17422.7-31.8000115.6
225V54.8Low62.6Low57 Ų5788.7 Ų88.735%0.34547%0.471SS..  trans-120.698.5179.7-174.60000109.2L208 I223 E227 K228 A229L208-V225 HydrophobicContact CD2-CG2 4.47Å; I223-V225 PolarHBondContact O-N 3.36Å; V225-E227 VanDerWaalsContact C-N 3.28Å; V225-E227 PolarHBondContact O-N 3.2Å; V225-E227 VanDerWaalsContact O-N 3.13Å; V225-K228 HydrophobicContact CG1-CB 4.3Å; V225-K228 HydrophobicContact CG1-CG 4.49Å; V225-K228 PolarHBondContact O-N 3.12Å; V225-A229 WeakPolarHBondContact O-CB 3.47Å; V225-A229 PolarHBondContact O-N 3.17Å
226S62.3Low62.7Low92 Ų9285.1 Ų85.164%0.64346%0.463SS*.Hα-helixtrans-57.6-31.4-166.869.50000115.4
227E68.3Low63.3Low154 Ų15492.1 Ų92.172%0.7249%0.487SS*.Hα-helixtrans-76.7-57.3-179.3-67.1-177.4165.600111.4V225 A229 K230V225-E227 VanDerWaalsContact C-N 3.28Å; V225-E227 PolarHBondContact O-N 3.2Å; V225-E227 VanDerWaalsContact O-N 3.13Å; E227-A229 PolarHBondContact O-N 2.8Å; E227-K230 PolarHBondContact O-N 2.77Å
228K68.6Low64.3Low76 Ų7694.6 Ų94.633%0.3350%0.5SS..Hα-helixtrans-64.6-26.8177.4-69.3-173.7176.2-175.30112.7V225 K230 E231 V232V225-K228 HydrophobicContact CG1-CB 4.3Å; V225-K228 HydrophobicContact CG1-CG 4.49Å; V225-K228 PolarHBondContact O-N 3.12Å; K228-K230 VanDerWaalsContact C-N 3.3Å; K228-K230 PolarHBondContact O-N 3.16Å; K228-E231 PolarHBondContact O-N 2.93Å; K228-V232 WeakPolarHBondContact O-CB 3.44Å; K228-V232 WeakPolarHBondContact O-CG2 3.3Å; K228-V232 PolarHBondContact O-N 2.94Å
229A69.2Low65.6Low17 Ų1793.7 Ų93.714%0.1449%0.494CS..Hα-helixtrans-58.7-42.2177.700000112.5I223 V225 E227 F233I223-A229 HydrophobicContact CB-CB 3.65Å; I223-A229 HydrophobicContact CD1-CB 4.08Å; I223-A229 HydrophobicContact CG1-CB 4.42Å; I223-A229 HydrophobicContact CG2-CB 4.04Å; V225-A229 WeakPolarHBondContact O-CB 3.47Å; V225-A229 PolarHBondContact O-N 3.17Å; E227-A229 PolarHBondContact O-N 2.8Å; A229-F233 VanDerWaalsContact O-CB 3.27Å; A229-F233 WeakPolarHBondContact O-CB 3.5Å; A229-F233 PolarHBondContact O-N 3.44Å
230K74.2Confident67.2Low146 Ų14691.1 Ų91.164%0.63549%0.489SS*.Hα-helixtrans-68.4-47.3-178.5-68.6179.3-178.9-179.20111.1E227 K228 V232 F233 E234E227-K230 PolarHBondContact O-N 2.77Å; K228-K230 VanDerWaalsContact C-N 3.3Å; K228-K230 PolarHBondContact O-N 3.16Å; K230-V232 VanDerWaalsContact C-N 3.33Å; K230-V232 PolarHBondContact O-N 2.89Å; K230-F233 PolarHBondContact O-N 3.39Å; K230-E234 WeakPolarHBondContact O-CG 3.42Å; K230-E234 PolarHBondContact O-N 2.95Å
231E78.5Confident69.2Low107 Ų10787.9 Ų87.950%0.547%0.47SS..Hα-helixtrans-59.6-43.7177.1-64.4179.1176.200111.7L202 K228 A235L202-E231 HydrophobicContact CD2-CB 4.46Å; K228-E231 PolarHBondContact O-N 2.93Å; E231-A235 VanDerWaalsContact O-CB 3.26Å; E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.25Å
232V79.2Confident71.3Confident2 Ų290.7 Ų90.71%0.01247%0.47CS..Hα-helixtrans-65.7-40177.1172.50000111.2F196 L199 L202 V203 I216 I223 K228 K230 S236F196-V232 HydrophobicContact CE1-CG1 4.06Å; L199-V232 HydrophobicContact CD1-CG1 3.97Å; L199-V232 HydrophobicContact CD1-CG2 4.21Å; L202-V232 HydrophobicContact CB-CG2 4.22Å; L202-V232 HydrophobicContact CD1-CG2 3.99Å; V203-V232 HydrophobicContact CG2-CG2 4.16Å; I216-V232 HydrophobicContact CD1-CG1 3.76Å; I216-V232 HydrophobicContact CG1-CG1 4.47Å; I223-V232 HydrophobicContact CD1-CB 3.95Å; I223-V232 HydrophobicContact CD1-CG1 3.77Å; K228-V232 WeakPolarHBondContact O-CB 3.44Å; K228-V232 WeakPolarHBondContact O-CG2 3.3Å; K228-V232 PolarHBondContact O-N 2.94Å; K230-V232 VanDerWaalsContact C-N 3.33Å; K230-V232 PolarHBondContact O-N 2.89Å; V232-S236 WeakPolarHBondContact O-CB 3.45Å; V232-S236 PolarHBondContact O-N 3.36Å
233F76.2Confident72.9Confident112 Ų11291.8 Ų91.849%0.49147%0.471SS..Hα-helixtrans-67.4-43.8177.9-175.5-101.8000112.4A229 K230 S236 R237A229-F233 VanDerWaalsContact O-CB 3.27Å; A229-F233 WeakPolarHBondContact O-CB 3.5Å; A229-F233 PolarHBondContact O-N 3.44Å; K230-F233 PolarHBondContact O-N 3.39Å; F233-S236 PolarHBondContact O-N 3.01Å; F233-S236 PolarHBondContact O-OG 3.41Å; F233-R237 VanDerWaalsContact CE1-CZ 3.49Å; F233-R237 PolarHBondContact O-N 3.32Å
234E78.9Confident74.2Confident127 Ų12791.8 Ų91.859%0.59347%0.473SS*.Hα-helixtrans-62.6-43.5175.1-73175.4-172.500111.6K230 S236 R237 N238K230-E234 WeakPolarHBondContact O-CG 3.42Å; K230-E234 PolarHBondContact O-N 2.95Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 2.84Å; E234-R237 PolarHBondContact O-N 3.05Å; E234-N238 PolarHBondContact O-N 3.43Å
235A79.6Confident75.7Confident21 Ų2191.5 Ų91.517%0.17447%0.469CS..Hα-helixtrans-65.7-33.2175.300000112.7F196 L202 E231 R237 N238 S239F196-A235 HydrophobicContact CE2-CB 4Å; F196-A235 HydrophobicContact CZ-CB 3.75Å; L202-A235 HydrophobicContact CD1-CB 3.59Å; E231-A235 VanDerWaalsContact O-CB 3.26Å; E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.25Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 2.95Å; A235-N238 CarbonylContact O-C 3.51Å; A235-N238 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-N 3.29Å
236S75.6Confident77.1Confident42 Ų4292.5 Ų92.529%0.29448%0.483SS..Hα-helixtrans-64.9-35.8177.5760000112.6V232 F233 E234 N238 S239V232-S236 WeakPolarHBondContact O-CB 3.45Å; V232-S236 PolarHBondContact O-N 3.36Å; F233-S236 PolarHBondContact O-N 3.01Å; F233-S236 PolarHBondContact O-OG 3.41Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 2.84Å; S236-N238 VanDerWaalsContact C-N 3.34Å; S236-S239 WeakPolarHBondContact O-CB 3.34Å; S236-S239 PolarHBondContact O-N 3.17Å
237R76.5Confident78.3Confident189 Ų18989.9 Ų89.971%0.71347%0.471SS*.Hα-helixtrans-70.9-31.3177.4-72.6-176.4171.5-174.1-4.1113F233 E234 A235F233-R237 VanDerWaalsContact CE1-CZ 3.49Å; F233-R237 PolarHBondContact O-N 3.32Å; E234-R237 PolarHBondContact O-N 3.05Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 2.95Å
238N79.7Confident79.2Confident131 Ų13185.8 Ų85.870%0.70145%0.454SS*.THydrogen-bonded Turntrans-100.214-179.9-62.6-30.4000112.2E234 A235 S236E234-N238 PolarHBondContact O-N 3.43Å; A235-N238 CarbonylContact O-C 3.51Å; A235-N238 PolarHBondContact O-N 3.43Å; S236-N238 VanDerWaalsContact C-N 3.34Å
239S77.3Confident80Confident35 Ų3583 Ų8325%0.24544%0.442CS..  trans-65133.3-178.4177.90000110.5H195 A235 S236 G241H195-S239 PolarHBondContact O-OG 2.89Å; A235-S239 PolarHBondContact O-N 3.29Å; S236-S239 WeakPolarHBondContact O-CB 3.34Å; S236-S239 PolarHBondContact O-N 3.17Å; S239-G241 PolarHBondContact OG-N 2.7Å
240I81.7Confident81Confident154 Ų15486.8 Ų86.879%0.7946%0.46SS*.  trans-84.9-4175.2-56.8168000111
241G80.3Confident81.7Confident28 Ų2883.7 Ų83.729%0.28945%0.45SS..PPolyproline II helixtrans-60.7167.5-176.200000114.3Y194 H195 S239Y194-G241 WeakPolarHBondContact O-CA 3.42Å; H195-G241 WeakPolarHBondContact O-CA 3.5Å; S239-G241 PolarHBondContact OG-N 2.7Å
242M83.5Confident82.3Confident112 Ų11278.8 Ų78.855%0.55243%0.427SS*.PPolyproline II helixtrans-90.2157.1-178.868.6-173.9-70.800112.4Y194 H195 V244Y194-M242 HydrophobicContact CD1-SD 4.24Å; Y194-M242 WeakPolarHBondContact O-CG 2.94Å; Y194-M242 PolarHBondContact O-N 2.91Å; H195-M242 PolarHBondContact ND1-O 2.81Å; H195-M242 VanDerWaalsContact ND1-O 3.12Å; M242-V244 HydrophobicContact CG-CG2 4Å; M242-V244 PolarHBondContact O-N 2.99Å
243E79.1Confident82.8Confident189 Ų18981.4 Ų81.488%0.88344%0.441SS*.PPolyproline II helixtrans-69.5119.2166.5-65.3-168.1163.100109.2
244V79.9Confident83.5Confident34 Ų3480 Ų8021%0.20644%0.439CS..  trans-104.6141.7179.3176.20000108.3H195 M242 D248 L249H195-V244 HydrophobicContact CB-CG2 3.84Å; M242-V244 HydrophobicContact CG-CG2 4Å; M242-V244 PolarHBondContact O-N 2.99Å; V244-D248 HydrophobicContact CG1-CB 3.46Å; V244-D248 VanDerWaalsContact CG1-CB 3.46Å; V244-L249 HydrophobicContact CB-CD2 4.05Å; V244-L249 HydrophobicContact CB-CG 4.14Å; V244-L249 HydrophobicContact CG1-CD2 3.99Å; V244-L249 HydrophobicContact CG1-CG 3.95Å
245T86.4Confident84.1Confident96 Ų9675.8 Ų75.859%0.58942%0.418SS*.  trans-61.2143.1-179.1-46.10000110.7G247 D248 L249T245-G247 PolarHBondContact O-N 3.27Å; T245-G247 VanDerWaalsContact O-N 3.1Å; T245-D248 WeakPolarHBondContact CB-OD2 3.23Å; T245-D248 WeakPolarHBondContact O-CB 3.37Å; T245-D248 PolarHBondContact O-N 3.21Å; T245-D248 PolarHBondContact OG1-OD2 3.5Å; T245-L249 PolarHBondContact O-N 2.99Å
246A84.6Confident84.7Confident78 Ų7874.8 Ų74.865%0.64541%0.41SS*.Hα-helixtrans-54.4-33176.600000113.2L250A246-L250 VanDerWaalsContact O-CB 3.32Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 PolarHBondContact O-N 3.36Å
247G86.2Confident85.5Confident37 Ų3775.2 Ų75.238%0.38142%0.416SS..Hα-helixtrans-65.9-35.8174.200000113.8T245 N251T245-G247 PolarHBondContact O-N 3.27Å; T245-G247 VanDerWaalsContact O-N 3.1Å; G247-N251 PolarHBondContact O-N 3.37Å; G247-N251 PolarHBondContact O-ND2 2.87Å
248D87.3Confident86.3Confident68 Ų6874.5 Ų74.536%0.36441%0.414SS..Hα-helixtrans-74.1-42.7177.1-65.7-44.1000110.9V244 T245 L250 N251 V252V244-D248 HydrophobicContact CG1-CB 3.46Å; V244-D248 VanDerWaalsContact CG1-CB 3.46Å; T245-D248 WeakPolarHBondContact CB-OD2 3.23Å; T245-D248 WeakPolarHBondContact O-CB 3.37Å; T245-D248 PolarHBondContact O-N 3.21Å; T245-D248 PolarHBondContact OG1-OD2 3.5Å; D248-L250 VanDerWaalsContact C-N 3.34Å; D248-L250 PolarHBondContact O-N 3.48Å; D248-N251 WeakPolarHBondContact O-CB 3.39Å; D248-N251 PolarHBondContact O-N 2.82Å; D248-N251 VanDerWaalsContact O-N 3.15Å; D248-V252 WeakPolarHBondContact O-CG2 3.46Å; D248-V252 PolarHBondContact O-N 3.48Å
249L86.4Confident87Confident17 Ų1768.3 Ų68.39%0.08938%0.38CS..Hα-helixtrans-60.5-42.7175-68.2176000111.8H195 V244 T245 N251 V252 D253H195-L249 HydrophobicContact CB-CD2 4.48Å; V244-L249 HydrophobicContact CB-CD2 4.05Å; V244-L249 HydrophobicContact CB-CG 4.14Å; V244-L249 HydrophobicContact CG1-CD2 3.99Å; V244-L249 HydrophobicContact CG1-CG 3.95Å; T245-L249 PolarHBondContact O-N 2.99Å; L249-N251 VanDerWaalsContact C-N 3.29Å; L249-N251 PolarHBondContact O-N 3.47Å; L249-V252 WeakPolarHBondContact O-CB 3.48Å; L249-V252 PolarHBondContact O-N 3.06Å; L249-V252 VanDerWaalsContact O-N 3.12Å; L249-D253 PolarHBondContact O-N 3.08Å
250L89.3Confident87.7Confident98 Ų9867.6 Ų67.651%0.51337%0.374SS..Hα-helixtrans-58-41.5174.2179.864.8000112A246 D248 V252 D253 L254A246-L250 VanDerWaalsContact O-CB 3.32Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 PolarHBondContact O-N 3.36Å; D248-L250 VanDerWaalsContact C-N 3.34Å; D248-L250 PolarHBondContact O-N 3.48Å; L250-V252 VanDerWaalsContact C-N 3.35Å; L250-D253 PolarHBondContact O-N 3.12Å; L250-L254 HydrophobicContact CG-CD1 4.33Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.3Å; L250-L254 PolarHBondContact O-N 2.93Å
251N89.7Confident88.3Confident80 Ų8063.6 Ų63.643%0.42836%0.359SS..Hα-helixtrans-66.7-36.7177.2-75-49.6000112.3W191 G247 D248 L249 F255W191-N251 HydrophobicContact CH2-CB 3.65Å; W191-N251 HydrophobicContact CZ2-CB 4.03Å; G247-N251 PolarHBondContact O-N 3.37Å; G247-N251 PolarHBondContact O-ND2 2.87Å; D248-N251 WeakPolarHBondContact O-CB 3.39Å; D248-N251 PolarHBondContact O-N 2.82Å; D248-N251 VanDerWaalsContact O-N 3.15Å; L249-N251 VanDerWaalsContact C-N 3.29Å; L249-N251 PolarHBondContact O-N 3.47Å; N251-F255 WeakPolarHBondContact O-CB 3.41Å; N251-F255 PolarHBondContact O-N 3.46Å
252V90.3Very high89Confident4 Ų464.9 Ų64.92%0.02436%0.359CS..Hα-helixtrans-64.4-45.5173.8175.90000110.6I188 W191 Y192 D248 L249 L250 F255 C256I188-V252 HydrophobicContact CG2-CG1 4.47Å; W191-V252 HydrophobicContact CB-CG2 4.42Å; W191-V252 HydrophobicContact CD2-CG2 3.51Å; W191-V252 HydrophobicContact CE3-CG2 3.92Å; W191-V252 HydrophobicContact CG-CG2 3.72Å; W191-V252 HydrophobicContact CZ2-CG2 4.24Å; W191-V252 HydrophobicContact CZ3-CG2 4.44Å; Y192-V252 HydrophobicContact CD2-CG1 3.98Å; D248-V252 WeakPolarHBondContact O-CG2 3.46Å; D248-V252 PolarHBondContact O-N 3.48Å; L249-V252 WeakPolarHBondContact O-CB 3.48Å; L249-V252 PolarHBondContact O-N 3.06Å; L249-V252 VanDerWaalsContact O-N 3.12Å; L250-V252 VanDerWaalsContact C-N 3.35Å; V252-F255 CarbonylContact O-C 3.48Å; V252-F255 WeakPolarHBondContact O-CB 3.24Å; V252-F255 PolarHBondContact O-N 3.41Å; V252-F255 VanDerWaalsContact O-N 3.11Å; V252-C256 PolarHBondContact O-N 3.07Å; V252-C256 PolarHBondContact O-SG 3.21Å; V252-C256 VanDerWaalsContact O-SG 3.4Å
253D89.8Confident89.5Confident57 Ų5761.2 Ų61.231%0.30534%0.341SS..Hα-helixtrans-61.1-47.9178.1-179.947.7000112.1S214 L249 L250 F255 C256 A257S214-D253 WeakPolarHBondContact CA-OD1 3.49Å; S214-D253 WeakPolarHBondContact CB-OD1 3.28Å; S214-D253 PolarHBondContact OG-OD1 3.25Å; L249-D253 PolarHBondContact O-N 3.08Å; L250-D253 PolarHBondContact O-N 3.12Å; D253-F255 PolarHBondContact O-N 3.28Å; D253-C256 WeakPolarHBondContact O-CB 3.25Å; D253-C256 PolarHBondContact O-N 2.83Å; D253-C256 VanDerWaalsContact O-N 3.14Å; D253-A257 PolarHBondContact O-N 3.29Å
254L91.1Very high90.2Very high83 Ų8357 Ų5744%0.43532%0.322SS..Hα-helixtrans-57.2-35.8174-72174.6000112L250 R258L250-L254 HydrophobicContact CG-CD1 4.33Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.3Å; L250-L254 PolarHBondContact O-N 2.93Å; L254-R258 VanDerWaalsContact O-CG 3.29Å; L254-R258 WeakPolarHBondContact O-CG 3.46Å; L254-R258 PolarHBondContact O-N 3.22Å
255F91.8Very high90.9Very high39 Ų3960.3 Ų60.317%0.17133%0.331CS..Hα-helixtrans-73.7-41177.6-170.2-146000112.3F184 R187 I188 W191 N251 V252 D253 A257 R258 V259F184-F255 HydrophobicContact CB-CE2 4.2Å; F184-F255 HydrophobicContact CB-CZ 3.77Å; F184-F255 HydrophobicContact CD1-CE2 4.11Å; F184-F255 AromaticContact CD1-CZ 3.78Å; F184-F255 HydrophobicContact CD1-CZ 3.78Å; F184-F255 HydrophobicContact CG-CE2 4.17Å; F184-F255 AromaticContact CG-CZ 3.99Å; F184-F255 HydrophobicContact CG-CZ 3.99Å; R187-F255 HydrophobicContact CB-CE1 4.16Å; R187-F255 HydrophobicContact CG-CE1 3.97Å; I188-F255 HydrophobicContact CD1-CD1 3.98Å; I188-F255 HydrophobicContact CD1-CE1 4.16Å; I188-F255 HydrophobicContact CD1-CG 4.31Å; I188-F255 HydrophobicContact CG1-CD1 3.27Å; I188-F255 HydrophobicContact CG1-CE1 3.4Å; I188-F255 VanDerWaalsContact CG1-CE1 3.4Å; I188-F255 HydrophobicContact CG1-CG 4.07Å; I188-F255 HydrophobicContact CG1-CZ 4.29Å; W191-F255 HydrophobicContact CE3-CD1 4.46Å; N251-F255 WeakPolarHBondContact O-CB 3.41Å; N251-F255 PolarHBondContact O-N 3.46Å; V252-F255 CarbonylContact O-C 3.48Å; V252-F255 WeakPolarHBondContact O-CB 3.24Å; V252-F255 PolarHBondContact O-N 3.41Å; V252-F255 VanDerWaalsContact O-N 3.11Å; D253-F255 PolarHBondContact O-N 3.28Å; F255-A257 PolarHBondContact O-N 3.41Å; F255-R258 WeakPolarHBondContact O-CB 3.41Å; F255-R258 PolarHBondContact O-N 3.05Å; F255-V259 HydrophobicContact CD2-CG2 4.42Å; F255-V259 HydrophobicContact CE2-CG2 4.18Å; F255-V259 PolarHBondContact O-N 3.14Å
256C92.1Very high91.3Very high0 Ų060.4 Ų60.40%032%0.321CS..Hα-helixtrans-56.8-47.9171.2-74.20000111.6I188 C210 S214 V252 D253 R258 V259 I260I188-C256 VanDerWaalsContact CG2-SG 3.54Å; C210-C256 HydrophobicContact CB-CB 4.32Å; S214-C256 VanDerWaalsContact OG-CB 3.22Å; S214-C256 WeakPolarHBondContact OG-CB 3.17Å; V252-C256 PolarHBondContact O-N 3.07Å; V252-C256 PolarHBondContact O-SG 3.21Å; V252-C256 VanDerWaalsContact O-SG 3.4Å; D253-C256 WeakPolarHBondContact O-CB 3.25Å; D253-C256 PolarHBondContact O-N 2.83Å; D253-C256 VanDerWaalsContact O-N 3.14Å; C256-R258 VanDerWaalsContact C-N 3.31Å; C256-R258 PolarHBondContact O-N 3.21Å; C256-V259 PolarHBondContact O-N 3.07Å; C256-V259 VanDerWaalsContact O-N 3.14Å; C256-I260 WeakPolarHBondContact O-CG1 3.06Å; C256-I260 PolarHBondContact O-N 3.3Å
257A92.1Very high91.7Very high51 Ų5161 Ų6142%0.42132%0.316SS..Hα-helixtrans-58.9-41.3177.500000112.1D253 F255 I260 S261D253-A257 PolarHBondContact O-N 3.29Å; F255-A257 PolarHBondContact O-N 3.41Å; A257-I260 PolarHBondContact O-N 3.5Å; A257-S261 WeakPolarHBondContact O-CB 3.39Å; A257-S261 PolarHBondContact O-N 3.44Å
258R93.3Very high92.2Very high174 Ų17463.9 Ų63.966%0.65732%0.323SS*.Hα-helixtrans-63-43.7174.3-73171.9-176-174.83.2112.2L254 F255 C256 S261 L262L254-R258 VanDerWaalsContact O-CG 3.29Å; L254-R258 WeakPolarHBondContact O-CG 3.46Å; L254-R258 PolarHBondContact O-N 3.22Å; F255-R258 WeakPolarHBondContact O-CB 3.41Å; F255-R258 PolarHBondContact O-N 3.05Å; C256-R258 VanDerWaalsContact C-N 3.31Å; C256-R258 PolarHBondContact O-N 3.21Å; R258-S261 WeakPolarHBondContact O-CB 3.49Å; R258-S261 PolarHBondContact O-N 3.42Å; R258-L262 WeakPolarHBondContact O-CG 3.39Å; R258-L262 PolarHBondContact O-N 2.99Å
259V94.2Very high92.5Very high0 Ų061.8 Ų61.80%031%0.311CS..Hα-helixtrans-65.9-42.2178171.70000111.4I181 F184 V185 I188 F255 C256 S261 L262 M263I181-V259 HydrophobicContact CG2-CG1 4.47Å; F184-V259 HydrophobicContact CB-CG2 3.57Å; F184-V259 HydrophobicContact CD2-CG2 4.39Å; F184-V259 HydrophobicContact CG-CG2 4.33Å; V185-V259 HydrophobicContact CG2-CG1 3.76Å; I188-V259 HydrophobicContact CD1-CB 3.97Å; I188-V259 HydrophobicContact CD1-CG1 4.44Å; I188-V259 HydrophobicContact CD1-CG2 3.55Å; F255-V259 HydrophobicContact CD2-CG2 4.42Å; F255-V259 HydrophobicContact CE2-CG2 4.18Å; F255-V259 PolarHBondContact O-N 3.14Å; C256-V259 PolarHBondContact O-N 3.07Å; C256-V259 VanDerWaalsContact O-N 3.14Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 2.83Å; V259-L262 WeakPolarHBondContact O-CB 3.3Å; V259-L262 PolarHBondContact O-N 3.5Å; V259-L262 VanDerWaalsContact O-N 3.13Å; V259-M263 HydrophobicContact CG1-CG 4.48Å; V259-M263 HydrophobicContact CG1-SD 4.4Å; V259-M263 WeakPolarHBondContact O-CG 3.38Å; V259-M263 PolarHBondContact O-N 3.2Å
260I93Very high92.8Very high21 Ų2163.1 Ų63.111%0.10832%0.318CS..Hα-helixtrans-58.7-45.3174.5-71.8163.7000110.6Y207 C210 L211 C256 A257 L262 M263 Q264Y207-I260 HydrophobicContact CE2-CG2 4.06Å; C210-I260 HydrophobicContact CB-CD1 4Å; C210-I260 HydrophobicContact CB-CG1 3.9Å; L211-I260 HydrophobicContact CD2-CD1 3.73Å; L211-I260 HydrophobicContact CG-CD1 4.23Å; C256-I260 WeakPolarHBondContact O-CG1 3.06Å; C256-I260 PolarHBondContact O-N 3.3Å; A257-I260 PolarHBondContact O-N 3.5Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 3.2Å; I260-M263 WeakPolarHBondContact O-CB 3.46Å; I260-M263 PolarHBondContact O-N 2.98Å; I260-M263 VanDerWaalsContact O-N 3.16Å; I260-Q264 WeakPolarHBondContact O-CG 3.47Å; I260-Q264 PolarHBondContact O-N 3.03Å
261S93.7Very high93.1Very high69 Ų6961.9 Ų61.948%0.48332%0.318SS..Hα-helixtrans-59.2-41.8174.7-176.30000112A257 R258 V259 M263 Q264 Y265A257-S261 WeakPolarHBondContact O-CB 3.39Å; A257-S261 PolarHBondContact O-N 3.44Å; R258-S261 WeakPolarHBondContact O-CB 3.49Å; R258-S261 PolarHBondContact O-N 3.42Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 2.83Å; S261-M263 PolarHBondContact O-N 3.46Å; S261-Q264 PolarHBondContact O-N 2.97Å; S261-Y265 WeakPolarHBondContact O-CB 3.48Å; S261-Y265 PolarHBondContact O-N 3.45Å
262L94.7Very high93.3Very high56 Ų5662 Ų6229%0.29331%0.313SS..Hα-helixtrans-64.4-37.8174.3-73171.9000112.8I181 F184 R258 V259 I260 Y265 R266I181-L262 HydrophobicContact CD1-CB 4.48Å; I181-L262 HydrophobicContact CG1-CB 4.13Å; F184-L262 HydrophobicContact CD2-CD1 3.85Å; F184-L262 HydrophobicContact CE2-CD1 3.75Å; R258-L262 WeakPolarHBondContact O-CG 3.39Å; R258-L262 PolarHBondContact O-N 2.99Å; V259-L262 WeakPolarHBondContact O-CB 3.3Å; V259-L262 PolarHBondContact O-N 3.5Å; V259-L262 VanDerWaalsContact O-N 3.13Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 3.2Å; L262-Y265 PolarHBondContact O-N 2.75Å; L262-R266 WeakPolarHBondContact O-CB 3.19Å; L262-R266 PolarHBondContact O-N 3.46Å
263M93.7Very high93.4Very high34 Ų3461.9 Ų61.917%0.16731%0.312CS..Hα-helixtrans-65.1-39.9175.2-67.5-177.992.100111.8I181 Q206 Y207 V259 I260 S261 R266 T267I181-M263 HydrophobicContact CD1-CB 4.46Å; I181-M263 HydrophobicContact CD1-CG 3.88Å; I181-M263 HydrophobicContact CG1-CG 4.21Å; I181-M263 HydrophobicContact CG2-CE 4.33Å; I181-M263 HydrophobicContact CG2-CG 3.87Å; I181-M263 HydrophobicContact CG2-SD 4.31Å; Q206-M263 HydrophobicContact CB-CE 4.17Å; Y207-M263 HydrophobicContact CD2-CE 4.44Å; Y207-M263 HydrophobicContact CD2-SD 3.9Å; Y207-M263 HydrophobicContact CG-SD 4.47Å; V259-M263 HydrophobicContact CG1-CG 4.48Å; V259-M263 HydrophobicContact CG1-SD 4.4Å; V259-M263 WeakPolarHBondContact O-CG 3.38Å; V259-M263 PolarHBondContact O-N 3.2Å; I260-M263 WeakPolarHBondContact O-CB 3.46Å; I260-M263 PolarHBondContact O-N 2.98Å; I260-M263 VanDerWaalsContact O-N 3.16Å; S261-M263 PolarHBondContact O-N 3.46Å; M263-R266 PolarHBondContact O-N 3.34Å; M263-T267 PolarHBondContact O-N 3.15Å; M263-T267 PolarHBondContact O-OG1 3.04Å
264Q93.8Very high93.6Very high102 Ų10264 Ų6448%0.47732%0.318SS..Hα-helixtrans-66.1-44.7173-69.1175.4-8.700111.3I260 S261 R266 T267 N268I260-Q264 WeakPolarHBondContact O-CG 3.47Å; I260-Q264 PolarHBondContact O-N 3.03Å; S261-Q264 PolarHBondContact O-N 2.97Å; Q264-R266 VanDerWaalsContact C-N 3.3Å; Q264-R266 PolarHBondContact O-N 2.98Å; Q264-T267 WeakPolarHBondContact O-CB 3.44Å; Q264-T267 PolarHBondContact O-N 3.19Å; Q264-N268 PolarHBondContact O-N 3.44Å
265Y94.8Very high93.6Very high103 Ų10363.2 Ų63.240%0.40432%0.32SS..Hα-helixtrans-57.2-42.8175.5-179.3-106.8000111.9L173 S261 L262 T267 N268 M269L173-Y265 HydrophobicContact CD2-CE1 4.01Å; L173-Y265 WeakPolarHBondContact CD2-OH 3.34Å; L173-Y265 HydrophobicContact CG-CE1 4.48Å; S261-Y265 WeakPolarHBondContact O-CB 3.48Å; S261-Y265 PolarHBondContact O-N 3.45Å; L262-Y265 PolarHBondContact O-N 2.75Å; Y265-T267 VanDerWaalsContact C-N 3.31Å; Y265-T267 PolarHBondContact O-N 3.15Å; Y265-N268 WeakPolarHBondContact O-CB 3.32Å; Y265-N268 PolarHBondContact O-N 3.47Å; Y265-N268 VanDerWaalsContact O-N 3.17Å; Y265-M269 HydrophobicContact CD1-CG 4.11Å; Y265-M269 HydrophobicContact CE1-CG 3.68Å; Y265-M269 HydrophobicContact CE1-SD 4.28Å; Y265-M269 HydrophobicContact CE2-CG 4.19Å; Y265-M269 HydrophobicContact CE2-SD 4.17Å; Y265-M269 WeakPolarHBondContact O-CG 3.17Å; Y265-M269 PolarHBondContact O-N 2.89Å
266R94.8Very high93.5Very high98 Ų9866.4 Ų66.437%0.3733%0.331SS..Hα-helixtrans-58.3-42.2174.1-177.6178.9172.7-130.7-2112.2T177 I181 L262 M263 Q264 M269 L270T177-R266 HydrophobicContact CG2-CB 3.98Å; I181-R266 HydrophobicContact CD1-CB 4.22Å; L262-R266 WeakPolarHBondContact O-CB 3.19Å; L262-R266 PolarHBondContact O-N 3.46Å; M263-R266 PolarHBondContact O-N 3.34Å; Q264-R266 VanDerWaalsContact C-N 3.3Å; Q264-R266 PolarHBondContact O-N 2.98Å; R266-M269 PolarHBondContact O-N 3.5Å; R266-L270 WeakPolarHBondContact O-CG 3.3Å; R266-L270 PolarHBondContact O-N 3.38Å
267T94.3Very high93.5Very high89 Ų8966.4 Ų66.455%0.54633%0.331SS..Hα-helixtrans-64.2-41.4176.4-57.60000111.6M263 Q264 Y265 M269 L270 S271M263-T267 PolarHBondContact O-N 3.15Å; M263-T267 PolarHBondContact O-OG1 3.04Å; Q264-T267 WeakPolarHBondContact O-CB 3.44Å; Q264-T267 PolarHBondContact O-N 3.19Å; Y265-T267 VanDerWaalsContact C-N 3.31Å; Y265-T267 PolarHBondContact O-N 3.15Å; T267-M269 VanDerWaalsContact C-N 3.34Å; T267-M269 PolarHBondContact O-N 2.99Å; T267-L270 WeakPolarHBondContact O-CB 3.37Å; T267-L270 PolarHBondContact O-N 3.49Å; T267-S271 PolarHBondContact O-N 3.07Å; T267-S271 VanDerWaalsContact O-N 3.08Å
268N95.2Very high93.4Very high99 Ų9968.9 Ų68.953%0.52933%0.334SS..Hα-helixtrans-64.8-37.6174.9-65.8-16.4000112.1Q264 Y265 L270 S271 Y272Q264-N268 PolarHBondContact O-N 3.44Å; Y265-N268 WeakPolarHBondContact O-CB 3.32Å; Y265-N268 PolarHBondContact O-N 3.47Å; Y265-N268 VanDerWaalsContact O-N 3.17Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 3.32Å; N268-S271 PolarHBondContact O-N 3.37Å; N268-S271 PolarHBondContact O-OG 3.11Å; N268-Y272 WeakPolarHBondContact O-CB 3.2Å; N268-Y272 PolarHBondContact O-N 3.36Å
269M94Very high93Very high24 Ų2464.2 Ų64.212%0.11833%0.328CS..Hα-helixtrans-66.4-33.4174.5-72.5-56.4-5500112.2A170 L173 V174 Y265 R266 T267 Y272 L273A170-M269 HydrophobicContact CB-CE 3.93Å; L173-M269 HydrophobicContact CD2-CE 3.92Å; L173-M269 HydrophobicContact CD2-CG 4.45Å; L173-M269 HydrophobicContact CD2-SD 4.23Å; V174-M269 HydrophobicContact CG2-CB 3.68Å; Y265-M269 HydrophobicContact CD1-CG 4.11Å; Y265-M269 HydrophobicContact CE1-CG 3.68Å; Y265-M269 HydrophobicContact CE1-SD 4.28Å; Y265-M269 HydrophobicContact CE2-CG 4.19Å; Y265-M269 HydrophobicContact CE2-SD 4.17Å; Y265-M269 WeakPolarHBondContact O-CG 3.17Å; Y265-M269 PolarHBondContact O-N 2.89Å; R266-M269 PolarHBondContact O-N 3.5Å; T267-M269 VanDerWaalsContact C-N 3.34Å; T267-M269 PolarHBondContact O-N 2.99Å; M269-Y272 HydrophobicContact CE-CD1 4.15Å; M269-L273 WeakPolarHBondContact O-CB 3.24Å; M269-L273 PolarHBondContact O-N 3.34Å
270L94.1Very high92.6Very high44 Ų4465 Ų6523%0.2333%0.333CS..Hα-helixtrans-68.4-38.8173.9-73.2176.5000112.7V174 R266 T267 N268 L273 K274 Q291V174-L270 HydrophobicContact CG1-CD2 3.71Å; V174-L270 HydrophobicContact CG1-CG 4.3Å; V174-L270 HydrophobicContact CG2-CD2 4.12Å; V174-L270 HydrophobicContact CG2-CG 4.46Å; R266-L270 WeakPolarHBondContact O-CG 3.3Å; R266-L270 PolarHBondContact O-N 3.38Å; T267-L270 WeakPolarHBondContact O-CB 3.37Å; T267-L270 PolarHBondContact O-N 3.49Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 2.82Å; L270-K274 PolarHBondContact O-N 3.39Å; L270-Q291 HydrophobicContact CD2-CG 4Å
271S94.6Very high92.5Very high73 Ų7364 Ų6451%0.5133%0.328SS..Hα-helixtrans-68.8-39.8174.964.70000111.7T267 N268 K274 S275T267-S271 PolarHBondContact O-N 3.07Å; T267-S271 VanDerWaalsContact O-N 3.08Å; N268-S271 PolarHBondContact O-N 3.37Å; N268-S271 PolarHBondContact O-OG 3.11Å; S271-K274 WeakPolarHBondContact O-CB 3.48Å; S271-K274 PolarHBondContact O-N 3.04Å; S271-S275 PolarHBondContact O-N 3.33Å; S271-S275 VanDerWaalsContact O-N 3.07Å
272Y93.9Very high92.4Very high83 Ų8361.3 Ų61.333%0.32531%0.309SS..Hα-helixtrans-57.7-48.2170.6174.3-96.2000111.8A170 N268 M269 K274 S275 R276A170-Y272 HydrophobicContact CB-CD1 4.06Å; A170-Y272 HydrophobicContact CB-CE1 3.98Å; N268-Y272 WeakPolarHBondContact O-CB 3.2Å; N268-Y272 PolarHBondContact O-N 3.36Å; M269-Y272 HydrophobicContact CE-CD1 4.15Å; Y272-K274 VanDerWaalsContact C-N 3.29Å; Y272-K274 PolarHBondContact O-N 2.88Å; Y272-S275 PolarHBondContact O-N 3.41Å; Y272-R276 HydrophobicContact CD1-CG 4.29Å; Y272-R276 HydrophobicContact CD2-CG 4.39Å; Y272-R276 HydrophobicContact CE1-CG 3.81Å; Y272-R276 HydrophobicContact CE2-CG 3.95Å; Y272-R276 WeakPolarHBondContact O-CG 3.38Å; Y272-R276 PolarHBondContact O-N 3Å; Y272-R276 PolarHBondContact OH-NE 3.43Å
273L93.4Very high92.2Very high1 Ų158.6 Ų58.61%0.00530%0.295CS..Hα-helixtrans-59.5-41178.1-176.367.8000111.4I167 A170 I171 M269 L270 R276 M277 A294I167-L273 HydrophobicContact CG2-CD1 3.93Å; A170-L273 HydrophobicContact CB-CD1 4.08Å; I171-L273 HydrophobicContact CB-CD2 4.45Å; I171-L273 HydrophobicContact CD1-CD2 3.92Å; M269-L273 WeakPolarHBondContact O-CB 3.24Å; M269-L273 PolarHBondContact O-N 3.34Å; L270-L273 PolarHBondContact O-N 2.82Å; L273-R276 PolarHBondContact O-N 3.32Å; L273-M277 WeakPolarHBondContact O-CB 3.42Å; L273-M277 PolarHBondContact O-N 3.2Å; L273-A294 HydrophobicContact CD1-CB 3.84Å; L273-A294 HydrophobicContact CD2-CB 3.96Å; L273-A294 HydrophobicContact CG-CB 4.29Å
274K92.7Very high92.1Very high100 Ų10057 Ų5744%0.43529%0.287SS..Hα-helixtrans-60.4-49.5176.6178174.5-174.7-175.30112L270 S271 Y272 R276 M277 Q278 E290L270-K274 PolarHBondContact O-N 3.39Å; S271-K274 WeakPolarHBondContact O-CB 3.48Å; S271-K274 PolarHBondContact O-N 3.04Å; Y272-K274 VanDerWaalsContact C-N 3.29Å; Y272-K274 PolarHBondContact O-N 2.88Å; K274-R276 PolarHBondContact O-N 3.08Å; K274-M277 PolarHBondContact O-N 3.45Å; K274-Q278 VanDerWaalsContact O-CG 3.3Å; K274-Q278 WeakPolarHBondContact O-CG 3.45Å; K274-Q278 PolarHBondContact O-N 2.89Å; K274-E290 HydrophobicContact CB-CG 4Å; K274-E290 HydrophobicContact CG-CG 3.88Å
275S92Very high92Very high67 Ų6752.5 Ų52.547%0.46927%0.267SS..Hα-helixtrans-60.7-46178.3173.90000111.5S271 Y272 Q278 S279S271-S275 PolarHBondContact O-N 3.33Å; S271-S275 VanDerWaalsContact O-N 3.07Å; Y272-S275 PolarHBondContact O-N 3.41Å; S275-Q278 PolarHBondContact O-N 3.07Å; S275-S279 PolarHBondContact O-N 3.28Å; S275-S279 PolarHBondContact O-OG 3.37Å
276R90Very high91.9Very high107 Ų10748.5 Ų48.540%0.40426%0.255SS..Hα-helixtrans-66.4-39.6179.1-69.6-63-178.8-175.6-3.6113.2I167 Y272 L273 K274 Q278 S279 C280I167-R276 HydrophobicContact CD1-CB 4.49Å; I167-R276 HydrophobicContact CG1-CB 4.02Å; Y272-R276 HydrophobicContact CD1-CG 4.29Å; Y272-R276 HydrophobicContact CD2-CG 4.39Å; Y272-R276 HydrophobicContact CE1-CG 3.81Å; Y272-R276 HydrophobicContact CE2-CG 3.95Å; Y272-R276 WeakPolarHBondContact O-CG 3.38Å; Y272-R276 PolarHBondContact O-N 3Å; Y272-R276 PolarHBondContact OH-NE 3.43Å; L273-R276 PolarHBondContact O-N 3.32Å; K274-R276 PolarHBondContact O-N 3.08Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; R276-S279 PolarHBondContact O-N 2.95Å; R276-C280 WeakPolarHBondContact O-CB 3.48Å; R276-C280 PolarHBondContact O-N 3.42Å
277M90.9Very high91.7Very high0 Ų043.9 Ų43.90%024%0.237CC..Hα-helixtrans-65.3-39.2176.8-175.163.373.700111.4I167 L273 K274 S279 C280 A281 E290 A294 I297I167-M277 HydrophobicContact CG2-CE 3.91Å; L273-M277 WeakPolarHBondContact O-CB 3.42Å; L273-M277 PolarHBondContact O-N 3.2Å; K274-M277 PolarHBondContact O-N 3.45Å; M277-S279 VanDerWaalsContact C-N 3.3Å; M277-S279 PolarHBondContact O-N 2.9Å; M277-C280 PolarHBondContact O-N 3.13Å; M277-A281 CarbonylContact O-C 3.38Å; M277-A281 WeakPolarHBondContact O-CA 3.43Å; M277-A281 PolarHBondContact O-N 2.96Å; M277-A281 HydrophobicContact SD-CB 3.88Å; M277-E290 WeakPolarHBondContact CE-O 3.49Å; M277-A294 HydrophobicContact CE-CB 3.51Å; M277-I297 HydrophobicContact CE-CD1 4.04Å; M277-I297 HydrophobicContact SD-CD1 4.12Å
278Q89.7Confident91.4Very high102 Ų10239.9 Ų39.948%0.47721%0.213SC..Hα-helixtrans-63.9-34.9175.3-74.4176.2-24.400112.7K274 S275 R276K274-Q278 VanDerWaalsContact O-CG 3.3Å; K274-Q278 WeakPolarHBondContact O-CG 3.45Å; K274-Q278 PolarHBondContact O-N 2.89Å; S275-Q278 PolarHBondContact O-N 3.07Å; R276-Q278 VanDerWaalsContact C-N 3.34Å
279S86.7Confident91.2Very high77 Ų7736.2 Ų36.254%0.53820%0.198SC..Hα-helixtrans-74.3-31.5176-54.80000113.6S275 R276 M277S275-S279 PolarHBondContact O-N 3.28Å; S275-S279 PolarHBondContact O-OG 3.37Å; R276-S279 PolarHBondContact O-N 2.95Å; M277-S279 VanDerWaalsContact C-N 3.3Å; M277-S279 PolarHBondContact O-N 2.9Å
280C85.8Confident91.1Very high16 Ų1637.9 Ų37.911%0.10821%0.206CC..Hα-helixtrans-98.3-47.6-172.1177.10000113.2V163 D164 I167 R276 M277V163-C280 HydrophobicContact CG1-CB 4.07Å; D164-C280 PolarHBondContact OD1-SG 3.37Å; D164-C280 VanDerWaalsContact OD1-SG 3.36Å; I167-C280 HydrophobicContact CD1-CB 3.49Å; I167-C280 VanDerWaalsContact CD1-CB 3.49Å; R276-C280 WeakPolarHBondContact O-CB 3.48Å; R276-C280 PolarHBondContact O-N 3.42Å; M277-C280 PolarHBondContact O-N 3.13Å
281A89.8Confident90.9Very high0 Ų039.5 Ų39.50%021%0.213CC..  trans-141.469.1-176.100000111.2M277 S283 L284 S285 I297 L303 D371M277-A281 CarbonylContact O-C 3.38Å; M277-A281 WeakPolarHBondContact O-CA 3.43Å; M277-A281 PolarHBondContact O-N 2.96Å; M277-A281 HydrophobicContact SD-CB 3.88Å; A281-S283 VanDerWaalsContact C-N 3.33Å; A281-S283 PolarHBondContact O-N 3.35Å; A281-L284 HydrophobicContact CB-CB 4Å; A281-L284 HydrophobicContact CB-CD2 4.46Å; A281-S285 WeakPolarHBondContact O-CB 3.29Å; A281-S285 PolarHBondContact O-N 3.5Å; A281-I297 HydrophobicContact CB-CD1 4.43Å; A281-L303 HydrophobicContact CB-CD1 4.3Å; A281-L303 HydrophobicContact CB-CD2 4.23Å; A281-D371 VanDerWaalsContact C-OD2 3.3Å; A281-D371 VanDerWaalsContact CA-OD2 3.3Å; A281-D371 WeakPolarHBondContact CA-OD2 3.42Å; A281-D371 HydrophobicContact CB-CB 4.06Å; A281-D371 WeakPolarHBondContact CB-OD2 3.39Å
282P91.5Very high90.7Very high12 Ų1236.5 Ų36.58%0.07819%0.191CC..Hα-helixtrans-64.7-36.1-178.726.3-34.1000112.4S285 A286 P377P282-S285 PolarHBondContact O-N 3Å; P282-A286 WeakPolarHBondContact O-CB 3.43Å; P282-A286 PolarHBondContact O-N 3.48Å; P282-P377 HydrophobicContact CG-CB 3.72Å
283S91.2Very high90.7Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-68.2-45.2-179.2-520000110.9A281 S285 A286 V287 D371 L378 G382A281-S283 VanDerWaalsContact C-N 3.33Å; A281-S283 PolarHBondContact O-N 3.35Å; S283-S285 VanDerWaalsContact C-N 3.34Å; S283-S285 PolarHBondContact O-N 3.38Å; S283-A286 PolarHBondContact O-N 2.84Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 3.17Å; S283-D371 WeakPolarHBondContact CB-OD1 3.48Å; S283-D371 WeakPolarHBondContact CB-OD2 3.4Å; S283-D371 PolarHBondContact N-OD1 3.44Å; S283-D371 VanDerWaalsContact N-OD1 3.12Å; S283-D371 PolarHBondContact N-OD2 3.42Å; S283-D371 PolarHBondContact OG-OD1 3.07Å; S283-L378 PolarHBondContact OG-O 2.85Å; S283-G382 WeakPolarHBondContact O-CA 3.48Å
284L91.6Very high90.7Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-61.3-44.6176.4-176.364.2000111.1A281 A286 V287 V288 I297 L306 C364 D371A281-L284 HydrophobicContact CB-CB 4Å; A281-L284 HydrophobicContact CB-CD2 4.46Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.49Å; L284-V287 PolarHBondContact O-N 2.96Å; L284-V288 HydrophobicContact CD1-CG2 3.97Å; L284-V288 HydrophobicContact CG-CG2 4.18Å; L284-V288 VanDerWaalsContact O-CG2 3.25Å; L284-V288 WeakPolarHBondContact O-CG2 3.3Å; L284-V288 PolarHBondContact O-N 3.05Å; L284-I297 HydrophobicContact CD2-CD1 4.11Å; L284-I297 HydrophobicContact CD2-CG1 4.13Å; L284-L306 HydrophobicContact CD2-CD2 3.95Å; L284-C364 HydrophobicContact CD1-CB 4.2Å; L284-D371 WeakPolarHBondContact CB-OD2 3.48Å; L284-D371 PolarHBondContact N-OD2 2.83Å
285S91.9Very high90.7Very high8 Ų830.3 Ų30.36%0.05616%0.164CC..Hα-helixtrans-59.2-42.1176.5-162.50000112.4A281 P282 S283 V287 G289 E290A281-S285 WeakPolarHBondContact O-CB 3.29Å; A281-S285 PolarHBondContact O-N 3.5Å; P282-S285 PolarHBondContact O-N 3Å; S283-S285 VanDerWaalsContact C-N 3.34Å; S283-S285 PolarHBondContact O-N 3.38Å; S285-V287 VanDerWaalsContact C-N 3.31Å; S285-V287 PolarHBondContact O-N 3.11Å; S285-G289 WeakPolarHBondContact O-CA 3.49Å; S285-G289 PolarHBondContact O-N 3.2Å; S285-E290 VanDerWaalsContact OG-CG 3.3Å; S285-E290 WeakPolarHBondContact OG-CG 3.46Å
286A91.2Very high90.7Very high19 Ų1927.1 Ų27.116%0.15714%0.142CC..Hα-helixtrans-63.6-37.5178.600000112.3P282 S283 L284 E383 K386P282-A286 WeakPolarHBondContact O-CB 3.43Å; P282-A286 PolarHBondContact O-N 3.48Å; S283-A286 PolarHBondContact O-N 2.84Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.49Å; A286-E383 HydrophobicContact CB-CG 4.44Å; A286-K386 WeakPolarHBondContact O-CD 3.5Å; A286-K386 WeakPolarHBondContact O-CE 3.23Å; A286-K386 PolarHBondContact O-NZ 3.25Å
287V90.7Very high90.8Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-75.9-51.2-177177.90000112.7S283 L284 S285 F344 L360 K363 A367 G382 L385S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 3.17Å; L284-V287 PolarHBondContact O-N 2.96Å; S285-V287 VanDerWaalsContact C-N 3.31Å; S285-V287 PolarHBondContact O-N 3.11Å; V287-F344 VanDerWaalsContact O-CE2 3.27Å; V287-F344 WeakPolarHBondContact O-CE2 3.45Å; V287-L360 HydrophobicContact CG1-CD1 3.79Å; V287-K363 HydrophobicContact CG1-CB 4.38Å; V287-A367 HydrophobicContact CG2-CB 4.3Å; V287-G382 WeakPolarHBondContact CG2-O 3.49Å; V287-L385 HydrophobicContact CG2-CB 3.7Å; V287-L385 HydrophobicContact CG2-CD1 4.39Å
288V89.5Confident90.9Very high5 Ų524.1 Ų24.13%0.0314%0.138CC..Hα-helixtrans-108.8-12.3-173.9-740000115.1L284 V292 L296 L339 L360 C364L284-V288 HydrophobicContact CD1-CG2 3.97Å; L284-V288 HydrophobicContact CG-CG2 4.18Å; L284-V288 VanDerWaalsContact O-CG2 3.25Å; L284-V288 WeakPolarHBondContact O-CG2 3.3Å; L284-V288 PolarHBondContact O-N 3.05Å; V288-V292 HydrophobicContact CB-CB 4.2Å; V288-V292 HydrophobicContact CB-CG1 4.12Å; V288-V292 HydrophobicContact CG2-CB 4.45Å; V288-V292 HydrophobicContact CG2-CG1 4.45Å; V288-L296 HydrophobicContact CG2-CD1 4.44Å; V288-L339 HydrophobicContact CG1-CD2 4.09Å; V288-L360 HydrophobicContact CG1-CD1 3.87Å; V288-L360 HydrophobicContact CG1-CD2 4.18Å; V288-L360 HydrophobicContact CG1-CG 4.1Å; V288-C364 WeakPolarHBondContact CG1-SG 3.04Å
289G90.6Very high90.9Very high22 Ų2223.6 Ų23.623%0.22714%0.135CC..  trans90.3160.7-168.500000112.6S285 G293S285-G289 WeakPolarHBondContact O-CA 3.49Å; S285-G289 PolarHBondContact O-N 3.2Å; G289-G293 PolarHBondContact O-N 3.34Å
290E90.6Very high91.1Very high60 Ų6020.2 Ų20.228%0.2811%0.112SC..Hα-helixtrans-63.6-46.7-171.9-61.771.7-173.700111.8K274 M277 S285 A294K274-E290 HydrophobicContact CB-CG 4Å; K274-E290 HydrophobicContact CG-CG 3.88Å; M277-E290 WeakPolarHBondContact CE-O 3.49Å; S285-E290 VanDerWaalsContact OG-CG 3.3Å; S285-E290 WeakPolarHBondContact OG-CG 3.46Å; E290-A294 VanDerWaalsContact O-CB 3.29Å; E290-A294 WeakPolarHBondContact O-CB 3.31Å; E290-A294 PolarHBondContact O-N 3.37Å
291Q91.1Very high91.3Very high78 Ų7821.1 Ų21.136%0.36412%0.124SC..Hα-helixtrans-68.4-46.9-175.9-67.8-178.5-11.600112L270 A294 R295L270-Q291 HydrophobicContact CD2-CG 4Å; Q291-A294 PolarHBondContact O-N 2.93Å; Q291-R295 WeakPolarHBondContact O-CG 3.22Å; Q291-R295 PolarHBondContact O-N 2.94Å
292V91Very high91.3Very high10 Ų1021.5 Ų21.56%0.06113%0.126CC..Hα-helixtrans-67.6-42.1-179.8-179.40000109.7V288 A294 R295 L296 L339 H341V288-V292 HydrophobicContact CB-CB 4.2Å; V288-V292 HydrophobicContact CB-CG1 4.12Å; V288-V292 HydrophobicContact CG2-CB 4.45Å; V288-V292 HydrophobicContact CG2-CG1 4.45Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 3.18Å; V292-R295 PolarHBondContact O-N 3.14Å; V292-L296 HydrophobicContact CG1-CD1 4.49Å; V292-L296 WeakPolarHBondContact O-CG 3.29Å; V292-L296 PolarHBondContact O-N 3.44Å; V292-L339 HydrophobicContact CG1-CD2 4.34Å; V292-H341 HydrophobicContact CG2-CB 4.42Å
293G92.4Very high91.2Very high0 Ų021.2 Ų21.20%012%0.124CC..Hα-helixtrans-56.4-46.3173.200000112.3G289 R295 L296 I297G289-G293 PolarHBondContact O-N 3.34Å; G293-R295 PolarHBondContact O-N 3.25Å; G293-L296 WeakPolarHBondContact O-CB 3.23Å; G293-L296 PolarHBondContact O-N 2.89Å; G293-I297 WeakPolarHBondContact O-CG1 3.4Å; G293-I297 PolarHBondContact O-N 2.87Å
294A93.1Very high91.1Very high0 Ų023.8 Ų23.80%014%0.138CC..Hα-helixtrans-63.4-40.6179.300000112.4I167 I171 L273 M277 E290 Q291 V292 L296 I297 S298I167-A294 HydrophobicContact CG2-CB 3.92Å; I171-A294 HydrophobicContact CB-CB 3.86Å; I171-A294 HydrophobicContact CD1-CB 4.33Å; I171-A294 HydrophobicContact CG1-CB 3.99Å; I171-A294 HydrophobicContact CG2-CB 4.19Å; L273-A294 HydrophobicContact CD1-CB 3.84Å; L273-A294 HydrophobicContact CD2-CB 3.96Å; L273-A294 HydrophobicContact CG-CB 4.29Å; M277-A294 HydrophobicContact CE-CB 3.51Å; E290-A294 VanDerWaalsContact O-CB 3.29Å; E290-A294 WeakPolarHBondContact O-CB 3.31Å; E290-A294 PolarHBondContact O-N 3.37Å; Q291-A294 PolarHBondContact O-N 2.93Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 3.18Å; A294-L296 VanDerWaalsContact C-N 3.35Å; A294-L296 PolarHBondContact O-N 3.47Å; A294-I297 PolarHBondContact O-N 3.33Å; A294-S298 WeakPolarHBondContact O-CB 3.32Å; A294-S298 PolarHBondContact O-N 3.39Å
295R93Very high91Very high54 Ų5426.9 Ų26.920%0.20416%0.155CC..Hα-helixtrans-64.8-37.7175.4-70.4-178.2-175.8137.93.9112.3I171 D175 Q291 V292 G293 S298 Q299 L338I171-R295 HydrophobicContact CD1-CG 4Å; I171-R295 HydrophobicContact CG1-CG 3.58Å; D175-R295 IonicContact OD1-CZ 3.86Å; D175-R295 IonicContact OD1-NE 3.65Å; D175-R295 PolarHBondContact OD1-NE 3.14Å; D175-R295 IonicContact OD1-NH2 3.75Å; D175-R295 PolarHBondContact OD1-NH2 3.18Å; D175-R295 IonicContact OD2-CZ 3.53Å; D175-R295 IonicContact OD2-NE 3.46Å; D175-R295 PolarHBondContact OD2-NE 3.17Å; D175-R295 VanDerWaalsContact OD2-NE 3.13Å; D175-R295 IonicContact OD2-NH2 2.75Å; Q291-R295 WeakPolarHBondContact O-CG 3.22Å; Q291-R295 PolarHBondContact O-N 2.94Å; V292-R295 PolarHBondContact O-N 3.14Å; G293-R295 PolarHBondContact O-N 3.25Å; R295-S298 PolarHBondContact O-N 3.07Å; R295-Q299 WeakPolarHBondContact O-CB 3.13Å; R295-Q299 PolarHBondContact O-N 3.32Å; R295-L338 HydrophobicContact CB-CD1 4.12Å
296L92.6Very high91Very high0 Ų026.6 Ų26.60%015%0.152CC..Hα-helixtrans-63.6-45175.5-68172.6000111.3V288 V292 G293 A294 Q299 A300 L306 I314 L317 L338 L339V288-L296 HydrophobicContact CG2-CD1 4.44Å; V292-L296 HydrophobicContact CG1-CD1 4.49Å; V292-L296 WeakPolarHBondContact O-CG 3.29Å; V292-L296 PolarHBondContact O-N 3.44Å; G293-L296 WeakPolarHBondContact O-CB 3.23Å; G293-L296 PolarHBondContact O-N 2.89Å; A294-L296 VanDerWaalsContact C-N 3.35Å; A294-L296 PolarHBondContact O-N 3.47Å; L296-Q299 PolarHBondContact O-N 3.13Å; L296-A300 WeakPolarHBondContact O-CB 3.4Å; L296-A300 PolarHBondContact O-N 3.2Å; L296-L306 HydrophobicContact CB-CD1 4.41Å; L296-L306 HydrophobicContact CB-CD2 4.06Å; L296-I314 HydrophobicContact CD2-CG2 4.45Å; L296-L317 HydrophobicContact CB-CD2 4.44Å; L296-L317 HydrophobicContact CD2-CB 4.32Å; L296-L317 HydrophobicContact CD2-CD2 3.8Å; L296-L338 HydrophobicContact CD2-CB 4.27Å; L296-L338 HydrophobicContact CD2-CD1 4.37Å; L296-L339 HydrophobicContact CD1-CD2 3.96Å; L296-L339 HydrophobicContact CD2-CD2 4.38Å
297I92.1Very high91Very high0 Ų025.9 Ų25.90%015%0.146CC..Hα-helixtrans-62-46.8176-65173.3000110.2D164 M168 M277 A281 L284 G293 A294 Q299 A300 G301 L303 L306D164-I297 HydrophobicContact CB-CG2 4.47Å; M168-I297 HydrophobicContact CG-CG2 4.26Å; M277-I297 HydrophobicContact CE-CD1 4.04Å; M277-I297 HydrophobicContact SD-CD1 4.12Å; A281-I297 HydrophobicContact CB-CD1 4.43Å; L284-I297 HydrophobicContact CD2-CD1 4.11Å; L284-I297 HydrophobicContact CD2-CG1 4.13Å; G293-I297 WeakPolarHBondContact O-CG1 3.4Å; G293-I297 PolarHBondContact O-N 2.87Å; A294-I297 PolarHBondContact O-N 3.33Å; I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.94Å; I297-A300 PolarHBondContact O-N 3.26Å; I297-A300 VanDerWaalsContact O-N 3.15Å; I297-G301 PolarHBondContact O-N 3.34Å; I297-L303 HydrophobicContact CD1-CD1 4.15Å; I297-L303 HydrophobicContact CG1-CD1 4.29Å; I297-L306 HydrophobicContact CG1-CD2 3.84Å
298S92.3Very high91.1Very high44 Ų4433.2 Ų33.231%0.30818%0.178SC..Hα-helixtrans-59.8-38179.2-171.80000113.4A294 R295A294-S298 WeakPolarHBondContact O-CB 3.32Å; A294-S298 PolarHBondContact O-N 3.39Å; R295-S298 PolarHBondContact O-N 3.07Å
299Q91Very high91.2Very high91 Ų9136.5 Ų36.543%0.42519%0.19SC..Hα-helixtrans-77-28.7178.4-166.866.83.300112.5R295 L296 I297 L317 E320 L338R295-Q299 WeakPolarHBondContact O-CB 3.13Å; R295-Q299 PolarHBondContact O-N 3.32Å; L296-Q299 PolarHBondContact O-N 3.13Å; I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.94Å; Q299-L317 HydrophobicContact CB-CD1 4.28Å; Q299-L317 HydrophobicContact CB-CD2 4.04Å; Q299-L317 HydrophobicContact CB-CG 3.94Å; Q299-L317 HydrophobicContact CG-CD1 3.68Å; Q299-L317 HydrophobicContact CG-CD2 4.3Å; Q299-L317 HydrophobicContact CG-CG 3.66Å; Q299-E320 WeakPolarHBondContact CG-OE1 3.22Å; Q299-E320 VanDerWaalsContact NE2-CD 3.27Å; Q299-E320 PolarHBondContact NE2-OE1 2.85Å; Q299-E320 PolarHBondContact NE2-OE2 2.88Å; Q299-L338 HydrophobicContact CB-CD1 4.16Å
300A90.5Very high91.4Very high6 Ų638.4 Ų38.45%0.0520%0.199CC..Hα-helixtrans-78.5-20.5173.500000113.3L296 I297 S302 N305 L306 Y309L296-A300 WeakPolarHBondContact O-CB 3.4Å; L296-A300 PolarHBondContact O-N 3.2Å; I297-A300 PolarHBondContact O-N 3.26Å; I297-A300 VanDerWaalsContact O-N 3.15Å; A300-S302 VanDerWaalsContact C-N 3.27Å; A300-S302 PolarHBondContact O-N 3.01Å; A300-N305 HydrophobicContact CB-CB 4.42Å; A300-N305 WeakPolarHBondContact O-CB 3.46Å; A300-N305 PolarHBondContact O-ND2 3.07Å; A300-L306 HydrophobicContact CB-CB 3.75Å; A300-L306 HydrophobicContact CB-CD1 4.15Å; A300-Y309 HydrophobicContact CB-CD2 4.2Å; A300-Y309 HydrophobicContact CB-CE2 3.65Å
301G89.2Confident91.5Very high35 Ų3536.3 Ų36.336%0.36119%0.192SC..SBendtrans85.3-15.7-178.300000114.7M168 I297M168-G301 WeakPolarHBondContact CE-O 3.45Å; M168-G301 VanDerWaalsContact SD-C 3.55Å; I297-G301 PolarHBondContact O-N 3.34Å
302S89.9Confident91.5Very high7 Ų736.2 Ų36.25%0.04920%0.2CC..SBendtrans-166.1162.6169.564.50000110.4A300 N304 N305 L306A300-S302 VanDerWaalsContact C-N 3.27Å; A300-S302 PolarHBondContact O-N 3.01Å; S302-N304 VanDerWaalsContact C-N 3.29Å; S302-N305 PolarHBondContact O-N 3.28Å; S302-N305 WeakPolarHBondContact OG-CB 3.39Å; S302-N305 PolarHBondContact OG-N 3.39Å; S302-N305 PolarHBondContact OG-ND2 3.08Å; S302-L306 PolarHBondContact O-N 3.44Å
303L89.6Confident91.6Very high6 Ų638 Ų383%0.03121%0.211CC..Hα-helixtrans-63.6-38.6172.5-178.761.1000110.7D164 A281 I297 N305 L306 A307 D371 C372D164-L303 WeakPolarHBondContact OD2-CB 3.34Å; D164-L303 PolarHBondContact OD2-N 3.42Å; A281-L303 HydrophobicContact CB-CD1 4.3Å; A281-L303 HydrophobicContact CB-CD2 4.23Å; I297-L303 HydrophobicContact CD1-CD1 4.15Å; I297-L303 HydrophobicContact CG1-CD1 4.29Å; L303-N305 VanDerWaalsContact C-N 3.35Å; L303-N305 PolarHBondContact O-N 2.95Å; L303-L306 WeakPolarHBondContact O-CB 3.38Å; L303-L306 PolarHBondContact O-N 3.01Å; L303-A307 WeakPolarHBondContact O-CB 3.27Å; L303-A307 PolarHBondContact O-N 3.21Å; L303-D371 HydrophobicContact CD2-CB 4.26Å; L303-C372 HydrophobicContact CG-CB 4.38Å
304N88.9Confident91.6Very high55 Ų5538.1 Ų38.129%0.29421%0.211SC..Hα-helixtrans-62.2-39.9176.8-71.916000112.5N161 S302 K308 C372N161-N304 PolarHBondContact OD1-ND2 3.41Å; S302-N304 VanDerWaalsContact C-N 3.29Å; N304-K308 WeakPolarHBondContact O-CG 3.31Å; N304-K308 PolarHBondContact O-N 2.86Å; N304-C372 PolarHBondContact OD1-SG 2.84Å
305N90Very high91.5Very high65 Ų6539.5 Ų39.535%0.34822%0.218SC..Hα-helixtrans-69.4-39.7175.4-73.1-11.3000111.2A300 S302 L303 A307 K308 Y309A300-N305 HydrophobicContact CB-CB 4.42Å; A300-N305 WeakPolarHBondContact O-CB 3.46Å; A300-N305 PolarHBondContact O-ND2 3.07Å; S302-N305 PolarHBondContact O-N 3.28Å; S302-N305 WeakPolarHBondContact OG-CB 3.39Å; S302-N305 PolarHBondContact OG-N 3.39Å; S302-N305 PolarHBondContact OG-ND2 3.08Å; L303-N305 VanDerWaalsContact C-N 3.35Å; L303-N305 PolarHBondContact O-N 2.95Å; N305-A307 VanDerWaalsContact C-N 3.33Å; N305-A307 PolarHBondContact O-N 3.48Å; N305-K308 PolarHBondContact O-N 3.38Å; N305-Y309 VanDerWaalsContact O-CD1 3.31Å; N305-Y309 WeakPolarHBondContact O-CD1 3.41Å; N305-Y309 PolarHBondContact O-N 3.35Å
306L91.8Very high91.5Very high2 Ų238.5 Ų38.51%0.0122%0.216CC..Hα-helixtrans-60.8-42.4175.3-175.861.4000111.7L284 L296 I297 A300 S302 L303 K308 Y309 I314 L317L284-L306 HydrophobicContact CD2-CD2 3.95Å; L296-L306 HydrophobicContact CB-CD1 4.41Å; L296-L306 HydrophobicContact CB-CD2 4.06Å; I297-L306 HydrophobicContact CG1-CD2 3.84Å; A300-L306 HydrophobicContact CB-CB 3.75Å; A300-L306 HydrophobicContact CB-CD1 4.15Å; S302-L306 PolarHBondContact O-N 3.44Å; L303-L306 WeakPolarHBondContact O-CB 3.38Å; L303-L306 PolarHBondContact O-N 3.01Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.31Å; L306-Y309 HydrophobicContact CD1-CD2 4.44Å; L306-Y309 PolarHBondContact O-N 3.14Å; L306-Y309 VanDerWaalsContact O-N 3.14Å; L306-I314 HydrophobicContact CD1-CD1 4.07Å; L306-I314 HydrophobicContact CD1-CG1 4.05Å; L306-L317 HydrophobicContact CD1-CD2 4.32Å
307A91Very high91.4Very high3 Ų339 Ų393%0.02522%0.219CC..Hα-helixtrans-62.8-31.8177.900000113.2L303 N305 R369 C372L303-A307 WeakPolarHBondContact O-CB 3.27Å; L303-A307 PolarHBondContact O-N 3.21Å; N305-A307 VanDerWaalsContact C-N 3.33Å; N305-A307 PolarHBondContact O-N 3.48Å; A307-R369 HydrophobicContact CB-CG 4Å; A307-R369 VanDerWaalsContact O-CG 3.32Å; A307-R369 WeakPolarHBondContact O-CG 3.46Å; A307-R369 PolarHBondContact O-NE 3.39Å; A307-C372 HydrophobicContact CB-CB 3.77Å
308K92.2Very high91.1Very high154 Ų15440.8 Ų40.867%0.6724%0.237SC*.Hα-helixtrans-75.9-24.9176.2-70.1171.4-175.3178.10113N304 N305 L306N304-K308 WeakPolarHBondContact O-CG 3.31Å; N304-K308 PolarHBondContact O-N 2.86Å; N305-K308 PolarHBondContact O-N 3.38Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.31Å
309Y93.2Very high91Very high74 Ų7439.5 Ų39.529%0.2923%0.229SC..SBendtrans-66.5141.3-178.7-69.9-11.2000112A300 N305 L306 T313 L317 R369A300-Y309 HydrophobicContact CB-CD2 4.2Å; A300-Y309 HydrophobicContact CB-CE2 3.65Å; N305-Y309 VanDerWaalsContact O-CD1 3.31Å; N305-Y309 WeakPolarHBondContact O-CD1 3.41Å; N305-Y309 PolarHBondContact O-N 3.35Å; L306-Y309 HydrophobicContact CD1-CD2 4.44Å; L306-Y309 PolarHBondContact O-N 3.14Å; L306-Y309 VanDerWaalsContact O-N 3.14Å; Y309-T313 HydrophobicContact CD2-CG2 4.28Å; Y309-T313 HydrophobicContact CG-CG2 4.35Å; Y309-L317 HydrophobicContact CE2-CD1 4.45Å; Y309-R369 PolarHBondContact O-NH2 3.3Å
310P94.6Very high90.8Very high63 Ų6337.6 Ų37.641%0.40922%0.22SC..  trans-72.5155.8170.332.2-34.5000109.8S312 T313 I314P310-S312 PolarHBondContact O-N 2.79Å; P310-T313 WeakPolarHBondContact CG-OG1 3.28Å; P310-T313 PolarHBondContact O-N 3.25Å; P310-I314 PolarHBondContact O-N 3.12Å; P310-I314 VanDerWaalsContact O-N 3.17Å
311A92.2Very high90.6Very high16 Ų1646.4 Ų46.413%0.13226%0.258CS..Hα-helixtrans-60.5-30.8-17800000113.7T313 I314 Q315 A361 N362 A365A311-T313 VanDerWaalsContact C-N 3.32Å; A311-T313 PolarHBondContact O-N 3.07Å; A311-I314 PolarHBondContact O-N 3.43Å; A311-Q315 PolarHBondContact O-N 3.43Å; A311-A361 WeakPolarHBondContact O-CB 3.1Å; A311-N362 HydrophobicContact CB-CB 4.39Å; A311-N362 WeakPolarHBondContact CB-OD1 3.46Å; A311-A365 HydrophobicContact CB-CB 4.14Å
312S91.2Very high90.5Very high75 Ų7546.4 Ų46.452%0.52425%0.254SS..Hα-helixtrans-61.5-38.517449.80000112.7P310P310-S312 PolarHBondContact O-N 2.79Å
313T92.1Very high90.4Very high49 Ų4948 Ų4830%0.30126%0.262SS..Hα-helixtrans-71.5-42175.8-59.30000111Y309 P310 A311 Q315 I316 L317Y309-T313 HydrophobicContact CD2-CG2 4.28Å; Y309-T313 HydrophobicContact CG-CG2 4.35Å; P310-T313 WeakPolarHBondContact CG-OG1 3.28Å; P310-T313 PolarHBondContact O-N 3.25Å; A311-T313 VanDerWaalsContact C-N 3.32Å; A311-T313 PolarHBondContact O-N 3.07Å; T313-Q315 PolarHBondContact O-N 3.03Å; T313-I316 WeakPolarHBondContact O-CG1 3.49Å; T313-I316 PolarHBondContact O-N 3.35Å; T313-L317 PolarHBondContact O-N 3.39Å; T313-L317 VanDerWaalsContact O-N 3.11Å
314I92.9Very high90.3Very high1 Ų154.2 Ų54.21%0.00529%0.289CS..Hα-helixtrans-61.1-35.9177.1-62177.2000111.1L296 L306 P310 A311 I316 L317 A361 C364 A365L296-I314 HydrophobicContact CD2-CG2 4.45Å; L306-I314 HydrophobicContact CD1-CD1 4.07Å; L306-I314 HydrophobicContact CD1-CG1 4.05Å; P310-I314 PolarHBondContact O-N 3.12Å; P310-I314 VanDerWaalsContact O-N 3.17Å; A311-I314 PolarHBondContact O-N 3.43Å; I314-I316 VanDerWaalsContact C-N 3.3Å; I314-I316 PolarHBondContact O-N 3.49Å; I314-L317 WeakPolarHBondContact O-CB 3.23Å; I314-L317 PolarHBondContact O-N 3.27Å; I314-A361 HydrophobicContact CG2-CB 4.41Å; I314-C364 HydrophobicContact CG2-CB 4.23Å; I314-A365 HydrophobicContact CD1-CB 3.74Å
315Q91.8Very high90.4Very high30 Ų3059.7 Ų59.714%0.1431%0.305CS..Hα-helixtrans-59.4-38.9178.4-173.5178.6-12.200113.2A311 T313 K335 Y336 G337 S357 A361A311-Q315 PolarHBondContact O-N 3.43Å; T313-Q315 PolarHBondContact O-N 3.03Å; Q315-K335 PolarHBondContact NE2-O 2.91Å; Q315-Y336 CarbonylContact O-C 3.58Å; Q315-G337 PolarHBondContact O-N 3.45Å; Q315-S357 WeakPolarHBondContact CG-OG 3.48Å; Q315-A361 HydrophobicContact CB-CB 3.76Å; Q315-A361 HydrophobicContact CG-CB 4.41Å
316I91.8Very high90.3Very high33 Ų3357 Ų5717%0.16929%0.293CS..Hα-helixtrans-101.24.3-174.764.5-170.6000113.1T313 I314 G318 A319 L323 P334T313-I316 WeakPolarHBondContact O-CG1 3.49Å; T313-I316 PolarHBondContact O-N 3.35Å; I314-I316 VanDerWaalsContact C-N 3.3Å; I314-I316 PolarHBondContact O-N 3.49Å; I316-G318 PolarHBondContact O-N 2.84Å; I316-A319 WeakPolarHBondContact O-CA 3.17Å; I316-A319 WeakPolarHBondContact O-CB 3.29Å; I316-A319 PolarHBondContact O-N 3.32Å; I316-L323 HydrophobicContact CD1-CD1 3.88Å; I316-L323 HydrophobicContact CD1-CD2 3.45Å; I316-L323 VanDerWaalsContact CD1-CD2 3.45Å; I316-L323 HydrophobicContact CD1-CG 4.22Å; I316-L323 HydrophobicContact CG1-CD2 4.26Å; I316-P334 HydrophobicContact CG2-CG 4.46Å
317L90.7Very high90.2Very high10 Ų1062.9 Ų62.95%0.05232%0.323CS..THydrogen-bonded Turntrans-62.2129.5-178.6-161.264.9000110.6L296 Q299 L306 Y309 T313 I314 A319 G337 L338L296-L317 HydrophobicContact CB-CD2 4.44Å; L296-L317 HydrophobicContact CD2-CB 4.32Å; L296-L317 HydrophobicContact CD2-CD2 3.8Å; Q299-L317 HydrophobicContact CB-CD1 4.28Å; Q299-L317 HydrophobicContact CB-CD2 4.04Å; Q299-L317 HydrophobicContact CB-CG 3.94Å; Q299-L317 HydrophobicContact CG-CD1 3.68Å; Q299-L317 HydrophobicContact CG-CD2 4.3Å; Q299-L317 HydrophobicContact CG-CG 3.66Å; L306-L317 HydrophobicContact CD1-CD2 4.32Å; Y309-L317 HydrophobicContact CE2-CD1 4.45Å; T313-L317 PolarHBondContact O-N 3.39Å; T313-L317 VanDerWaalsContact O-N 3.11Å; I314-L317 WeakPolarHBondContact O-CB 3.23Å; I314-L317 PolarHBondContact O-N 3.27Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-G337 CarbonylContact O-C 3.49Å; L317-G337 WeakPolarHBondContact O-CA 3.42Å; L317-L338 WeakPolarHBondContact O-CG 3.41Å; L317-L338 PolarHBondContact O-N 3.04Å
318G87.3Confident90.2Very high38 Ų3871.9 Ų71.939%0.39236%0.362SS..THydrogen-bonded Turntrans82.4-3.6-17000000115.8I316 E320I316-G318 PolarHBondContact O-N 2.84Å; G318-E320 WeakPolarHBondContact CA-OE1 3.49Å; G318-E320 WeakPolarHBondContact CA-OE2 3.35Å; G318-E320 VanDerWaalsContact N-CD 3.31Å; G318-E320 PolarHBondContact N-OE1 3.43Å; G318-E320 PolarHBondContact N-OE2 2.97Å
319A89.2Confident90.2Very high17 Ų1772.5 Ų72.514%0.1437%0.365CS..  trans-108.724.9170.900000112.2I316 L317 K321 A322 L323 P334I316-A319 WeakPolarHBondContact O-CA 3.17Å; I316-A319 WeakPolarHBondContact O-CB 3.29Å; I316-A319 PolarHBondContact O-N 3.32Å; L317-A319 VanDerWaalsContact C-N 3.34Å; A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 3.32Å; A319-A322 WeakPolarHBondContact O-CB 3.38Å; A319-A322 PolarHBondContact O-N 3.16Å; A319-L323 PolarHBondContact O-N 3.49Å; A319-P334 HydrophobicContact CB-CB 4.01Å; A319-P334 HydrophobicContact CB-CG 3.95Å
320E86Confident89.8Confident50 Ų5078.5 Ų78.523%0.23439%0.392CS..Hα-helixtrans-61.6-40.1-172.4-55.683.8178.600111.4Q299 G318 A322 L323 F324Q299-E320 WeakPolarHBondContact CG-OE1 3.22Å; Q299-E320 VanDerWaalsContact NE2-CD 3.27Å; Q299-E320 PolarHBondContact NE2-OE1 2.85Å; Q299-E320 PolarHBondContact NE2-OE2 2.88Å; G318-E320 WeakPolarHBondContact CA-OE1 3.49Å; G318-E320 WeakPolarHBondContact CA-OE2 3.35Å; G318-E320 VanDerWaalsContact N-CD 3.31Å; G318-E320 PolarHBondContact N-OE1 3.43Å; G318-E320 PolarHBondContact N-OE2 2.97Å; E320-A322 VanDerWaalsContact C-N 3.29Å; E320-A322 PolarHBondContact O-N 3.46Å; E320-L323 WeakPolarHBondContact O-CB 3.46Å; E320-L323 PolarHBondContact O-N 2.83Å; E320-F324 HydrophobicContact CB-CD2 4.2Å; E320-F324 HydrophobicContact CB-CE2 3.97Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å; E320-F324 PolarHBondContact O-N 3.04Å
321K87.2Confident89.4Confident191 Ų19177.4 Ų77.483%0.8339%0.392SS*.Hα-helixtrans-58.9-41.5175.7-68.3-176.4179.7179.10112A319 R325A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 3.32Å; K321-R325 WeakPolarHBondContact O-CB 3.39Å; K321-R325 PolarHBondContact O-N 3.23Å; K321-R325 VanDerWaalsContact O-N 3.11Å
322A87Confident89Confident35 Ų3584.5 Ų84.529%0.28943%0.428SS..Hα-helixtrans-71.4-37.9177.500000111.5A319 E320 R325 A326 P334A319-A322 WeakPolarHBondContact O-CB 3.38Å; A319-A322 PolarHBondContact O-N 3.16Å; E320-A322 VanDerWaalsContact C-N 3.29Å; E320-A322 PolarHBondContact O-N 3.46Å; A322-R325 PolarHBondContact O-N 3.12Å; A322-A326 WeakPolarHBondContact O-CB 3.5Å; A322-A326 PolarHBondContact O-N 3.4Å; A322-P334 HydrophobicContact CB-CB 4.36Å; A322-P334 HydrophobicContact CB-CG 4.24Å
323L87.7Confident88.7Confident41 Ų4184.9 Ų84.922%0.21543%0.427CS..Hα-helixtrans-60.1-51.6173.9178.368.6000111.7I316 A319 E320 R325 A326 L327 T333 P334I316-L323 HydrophobicContact CD1-CD1 3.88Å; I316-L323 HydrophobicContact CD1-CD2 3.45Å; I316-L323 VanDerWaalsContact CD1-CD2 3.45Å; I316-L323 HydrophobicContact CD1-CG 4.22Å; I316-L323 HydrophobicContact CG1-CD2 4.26Å; A319-L323 PolarHBondContact O-N 3.49Å; E320-L323 WeakPolarHBondContact O-CB 3.46Å; E320-L323 PolarHBondContact O-N 2.83Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 3.04Å; L323-A326 WeakPolarHBondContact O-CB 3.35Å; L323-A326 PolarHBondContact O-N 3.22Å; L323-A326 VanDerWaalsContact O-N 3.16Å; L323-L327 WeakPolarHBondContact O-CB 3.22Å; L323-L327 PolarHBondContact O-N 2.83Å; L323-T333 HydrophobicContact CD1-CG2 3.96Å; L323-P334 HydrophobicContact CB-CG 4.14Å
324F88.6Confident88.3Confident136 Ų13683.8 Ų83.860%0.59642%0.421SS*.Hα-helixtrans-63.9-36.4179.3-72.4-59.9000111.9E320 L327 K328E320-F324 HydrophobicContact CB-CD2 4.2Å; E320-F324 HydrophobicContact CB-CE2 3.97Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å; E320-F324 PolarHBondContact O-N 3.04Å; F324-L327 PolarHBondContact O-N 3.14Å; F324-K328 WeakPolarHBondContact O-CB 3.42Å; F324-K328 PolarHBondContact O-N 2.87Å
325R89.8Confident87.7Confident170 Ų17090.3 Ų90.364%0.64245%0.449SS*.Hα-helixtrans-64.1-42.6173.1-173.4174.368.4-166.21.7112K321 A322 L323 K329K321-R325 WeakPolarHBondContact O-CB 3.39Å; K321-R325 PolarHBondContact O-N 3.23Å; K321-R325 VanDerWaalsContact O-N 3.11Å; A322-R325 PolarHBondContact O-N 3.12Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 3.04Å; R325-K329 WeakPolarHBondContact O-CB 3.36Å; R325-K329 PolarHBondContact O-N 2.97Å; R325-K329 VanDerWaalsContact O-N 3.12Å
326A88.6Confident87.3Confident10 Ų1092.7 Ų92.78%0.08346%0.457CS..Hα-helixtrans-64.7-43.6176.100000111.3A322 L323 K329 K330 G331 N332 T333A322-A326 WeakPolarHBondContact O-CB 3.5Å; A322-A326 PolarHBondContact O-N 3.4Å; L323-A326 WeakPolarHBondContact O-CB 3.35Å; L323-A326 PolarHBondContact O-N 3.22Å; L323-A326 VanDerWaalsContact O-N 3.16Å; A326-K329 CarbonylContact O-C 3.59Å; A326-K329 PolarHBondContact O-N 2.88Å; A326-K330 CarbonylContact O-C 3.59Å; A326-K330 WeakPolarHBondContact O-CA 3.46Å; A326-K330 PolarHBondContact O-N 3.15Å; A326-G331 PolarHBondContact O-N 3.47Å; A326-N332 VanDerWaalsContact CB-O 3.25Å; A326-N332 WeakPolarHBondContact CB-O 3.49Å; A326-T333 HydrophobicContact CB-CG2 4.44Å
327L88.8Confident87.1Confident125 Ų12591.7 Ų91.765%0.65446%0.455SS*.Hα-helixtrans-62.6-45.2178.9-168.466.9000111.8L323 F324 K329 K330L323-L327 WeakPolarHBondContact O-CB 3.22Å; L323-L327 PolarHBondContact O-N 2.83Å; F324-L327 PolarHBondContact O-N 3.14Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.41Å; L327-K330 PolarHBondContact O-N 3.46Å
328K92.4Very high86.9Confident192 Ų19292.8 Ų92.884%0.83546%0.461SS*.Hα-helixtrans-64.1-38.2177.8-172.8173-177.3175.70112.6F324F324-K328 WeakPolarHBondContact O-CB 3.42Å; F324-K328 PolarHBondContact O-N 2.87Å
329K91.4Very high86.8Confident166 Ų16691 Ų9172%0.72244%0.443SS*.Hα-helixtrans-89.10.5179.2-67.3-169.1175.2-168.10113.7R325 A326 L327 G331R325-K329 WeakPolarHBondContact O-CB 3.36Å; R325-K329 PolarHBondContact O-N 2.97Å; R325-K329 VanDerWaalsContact O-N 3.12Å; A326-K329 CarbonylContact O-C 3.59Å; A326-K329 PolarHBondContact O-N 2.88Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.41Å; K329-G331 PolarHBondContact O-N 3.06Å; K329-G331 VanDerWaalsContact O-N 3.15Å
330K84.5Confident86.5Confident201 Ų20194.3 Ų94.387%0.87445%0.452SS*.THydrogen-bonded Turntrans47.236.5-167.8-61.4-177.4177.3-179.10112.7A326 L327A326-K330 CarbonylContact O-C 3.59Å; A326-K330 WeakPolarHBondContact O-CA 3.46Å; A326-K330 PolarHBondContact O-N 3.15Å; L327-K330 PolarHBondContact O-N 3.46Å
331G86.1Confident86.1Confident39 Ų3997.8 Ų97.840%0.40247%0.468SS..  trans-95.1-174.3179.700000112.8A326 K329 T333A326-G331 PolarHBondContact O-N 3.47Å; K329-G331 PolarHBondContact O-N 3.06Å; K329-G331 VanDerWaalsContact O-N 3.15Å; G331-T333 PolarHBondContact O-N 2.9Å
332N84Confident85.7Confident165 Ų16588.7 Ų88.788%0.88243%0.429SS*.PPolyproline II helixtrans-66125.9178.7-68.9-30.1000111.8A326A326-N332 VanDerWaalsContact CB-O 3.25Å; A326-N332 WeakPolarHBondContact CB-O 3.49Å
333T84.1Confident85.2Confident83 Ų8390.4 Ų90.451%0.50944%0.437SS..PPolyproline II helixtrans-68148.317354.10000111L323 A326 G331 K335L323-T333 HydrophobicContact CD1-CG2 3.96Å; A326-T333 HydrophobicContact CB-CG2 4.44Å; G331-T333 PolarHBondContact O-N 2.9Å; T333-K335 PolarHBondContact O-N 3.27Å
334P83.7Confident84.6Confident27 Ų2790.2 Ų90.218%0.17543%0.434CS..PPolyproline II helixtrans-59.5138.9174.926-34.1000110.6I316 A319 A322 L323I316-P334 HydrophobicContact CG2-CG 4.46Å; A319-P334 HydrophobicContact CB-CB 4.01Å; A319-P334 HydrophobicContact CB-CG 3.95Å; A322-P334 HydrophobicContact CB-CB 4.36Å; A322-P334 HydrophobicContact CB-CG 4.24Å; L323-P334 HydrophobicContact CB-CG 4.14Å
335K81.4Confident84.1Confident137 Ų13783.7 Ų83.760%0.59641%0.406SS*.SBendtrans-83.2-18.7-178.6-66.3-176.7179.9179.40113.3Q315 T333Q315-K335 PolarHBondContact NE2-O 2.91Å; T333-K335 PolarHBondContact O-N 3.27Å
336Y82.9Confident83.5Confident80 Ų8077.8 Ų77.831%0.31440%0.397SS..  trans-157.1148.5-177.143.6-101.1000110.3Q315 Y340 K353Q315-Y336 CarbonylContact O-C 3.58Å; Y336-Y340 HydrophobicContact CD1-CD2 4.42Å; Y336-Y340 AromaticContact CD2-CD2 3.43Å; Y336-Y340 HydrophobicContact CD2-CD2 3.43Å; Y336-Y340 VanDerWaalsContact CD2-CD2 3.43Å; Y336-Y340 HydrophobicContact CD2-CE2 4.35Å; Y336-Y340 AromaticContact CD2-CG 3.83Å; Y336-Y340 HydrophobicContact CD2-CG 3.83Å; Y336-Y340 HydrophobicContact CE1-CD2 4.29Å; Y336-Y340 AromaticContact CE2-CD2 3.25Å; Y336-Y340 HydrophobicContact CE2-CD2 3.25Å; Y336-Y340 AromaticContact CE2-CE2 3.73Å; Y336-Y340 HydrophobicContact CE2-CE2 3.73Å; Y336-Y340 AromaticContact CE2-CG 3.87Å; Y336-Y340 HydrophobicContact CE2-CG 3.87Å; Y336-Y340 HydrophobicContact CG-CD2 4.02Å; Y336-Y340 AromaticContact CZ-CD2 3.72Å; Y336-Y340 AromaticContact CZ-CE2 3.83Å; Y336-K353 HydrophobicContact CE1-CB 4.34Å
337G86.8Confident83.1Confident12 Ų1287.9 Ų87.912%0.12443%0.433CS..SBendtrans-113.8-122.5169.200000112Q315 L317 L339 Y340Q315-G337 PolarHBondContact O-N 3.45Å; L317-G337 CarbonylContact O-C 3.49Å; L317-G337 WeakPolarHBondContact O-CA 3.42Å; G337-L339 PolarHBondContact O-N 3.1Å; G337-L339 VanDerWaalsContact O-N 3.14Å; G337-Y340 VanDerWaalsContact O-CB 3.3Å; G337-Y340 WeakPolarHBondContact O-CB 3.43Å; G337-Y340 PolarHBondContact O-N 3.38Å
338L87.1Confident82.7Confident34 Ų3482.5 Ų82.518%0.17841%0.407CS..G310 helixtrans-57.9-27.5-179.4-67.1168.7000113.6R295 L296 Q299 L317 Y340 H341R295-L338 HydrophobicContact CB-CD1 4.12Å; L296-L338 HydrophobicContact CD2-CB 4.27Å; L296-L338 HydrophobicContact CD2-CD1 4.37Å; Q299-L338 HydrophobicContact CB-CD1 4.16Å; L317-L338 WeakPolarHBondContact O-CG 3.41Å; L317-L338 PolarHBondContact O-N 3.04Å; L338-Y340 PolarHBondContact O-N 2.97Å; L338-Y340 VanDerWaalsContact O-N 3.13Å; L338-H341 PolarHBondContact O-N 2.91Å
339L86Confident82.2Confident1 Ų176.2 Ų76.21%0.00539%0.39CS..G310 helixtrans-59.9-21.8176.8-65.9179.2000113V288 V292 L296 G337 H341 S342 I345 L360 A361V288-L339 HydrophobicContact CG1-CD2 4.09Å; V292-L339 HydrophobicContact CG1-CD2 4.34Å; L296-L339 HydrophobicContact CD1-CD2 3.96Å; L296-L339 HydrophobicContact CD2-CD2 4.38Å; G337-L339 PolarHBondContact O-N 3.1Å; G337-L339 VanDerWaalsContact O-N 3.14Å; L339-H341 PolarHBondContact O-N 3.35Å; L339-S342 WeakPolarHBondContact O-CB 3.47Å; L339-S342 PolarHBondContact O-N 2.97Å; L339-I345 HydrophobicContact CB-CD1 3.93Å; L339-I345 VanDerWaalsContact O-CD1 3.32Å; L339-I345 WeakPolarHBondContact O-CD1 3.45Å; L339-L360 HydrophobicContact CB-CD2 4.48Å; L339-L360 HydrophobicContact CD2-CD2 4.19Å; L339-L360 HydrophobicContact CD2-CG 4.45Å; L339-A361 HydrophobicContact CD1-CB 3.81Å
340Y81.6Confident81.7Confident86 Ų8673.7 Ų73.734%0.33739%0.389SS..G310 helixtrans-57.4-31.9177.3-175.4-99.6000113.1Y336 G337 L338 S342 I345 K353Y336-Y340 HydrophobicContact CD1-CD2 4.42Å; Y336-Y340 AromaticContact CD2-CD2 3.43Å; Y336-Y340 HydrophobicContact CD2-CD2 3.43Å; Y336-Y340 VanDerWaalsContact CD2-CD2 3.43Å; Y336-Y340 HydrophobicContact CD2-CE2 4.35Å; Y336-Y340 AromaticContact CD2-CG 3.83Å; Y336-Y340 HydrophobicContact CD2-CG 3.83Å; Y336-Y340 HydrophobicContact CE1-CD2 4.29Å; Y336-Y340 AromaticContact CE2-CD2 3.25Å; Y336-Y340 HydrophobicContact CE2-CD2 3.25Å; Y336-Y340 AromaticContact CE2-CE2 3.73Å; Y336-Y340 HydrophobicContact CE2-CE2 3.73Å; Y336-Y340 AromaticContact CE2-CG 3.87Å; Y336-Y340 HydrophobicContact CE2-CG 3.87Å; Y336-Y340 HydrophobicContact CG-CD2 4.02Å; Y336-Y340 AromaticContact CZ-CD2 3.72Å; Y336-Y340 AromaticContact CZ-CE2 3.83Å; G337-Y340 VanDerWaalsContact O-CB 3.3Å; G337-Y340 WeakPolarHBondContact O-CB 3.43Å; G337-Y340 PolarHBondContact O-N 3.38Å; L338-Y340 PolarHBondContact O-N 2.97Å; L338-Y340 VanDerWaalsContact O-N 3.13Å; Y340-S342 PolarHBondContact O-N 2.9Å; Y340-I345 HydrophobicContact CD2-CG2 4.04Å; Y340-K353 HydrophobicContact CE2-CD 3.95Å; Y340-K353 PolarHBondContact OH-NZ 3.11Å
341H78.2Confident81.7Confident123 Ų12373.3 Ų73.357%0.56939%0.387SS*.G310 helixtrans-75.7-5.6178-62.9-63.4000113.4V292 L338 L339V292-H341 HydrophobicContact CG2-CB 4.42Å; L338-H341 PolarHBondContact O-N 2.91Å; L339-H341 PolarHBondContact O-N 3.35Å
342S79.3Confident81.7Confident0 Ų072.9 Ų72.90%038%0.376CS..SBendtrans-68.7137.5173.3-173.60000110.4L339 Y340 F344 I345 G346L339-S342 WeakPolarHBondContact O-CB 3.47Å; L339-S342 PolarHBondContact O-N 2.97Å; Y340-S342 PolarHBondContact O-N 2.9Å; S342-F344 PolarHBondContact O-N 2.96Å; S342-F344 VanDerWaalsContact O-N 3.09Å; S342-F344 WeakPolarHBondContact OG-CD2 3.32Å; S342-I345 PolarHBondContact O-N 3.36Å; S342-I345 VanDerWaalsContact O-N 3.07Å; S342-G346 PolarHBondContact O-N 3.41Å; S342-G346 VanDerWaalsContact O-N 3.08Å
343P76.1Confident81.8Confident71 Ų7166 Ų6646%0.46134%0.338SS..Hα-helixtrans-57.1-28.7179.822.3-34.1000113.2R347P343-R347 WeakPolarHBondContact O-CG 3.47Å; P343-R347 PolarHBondContact O-N 3.36Å
344F75.3Confident81.9Confident36 Ų3662.8 Ų62.816%0.15832%0.322CS..Hα-helixtrans-63.6-40177.6-58.9-62.8000112.9V287 S342 K386 V389 N390V287-F344 VanDerWaalsContact O-CE2 3.27Å; V287-F344 WeakPolarHBondContact O-CE2 3.45Å; S342-F344 PolarHBondContact O-N 2.96Å; S342-F344 VanDerWaalsContact O-N 3.09Å; S342-F344 WeakPolarHBondContact OG-CD2 3.32Å; F344-K386 HydrophobicContact CZ-CG 4.1Å; F344-V389 HydrophobicContact CG-CG1 4.39Å; F344-N390 WeakPolarHBondContact CD1-OD1 2.97Å; F344-N390 WeakPolarHBondContact CE1-OD1 3.31Å
345I78.3Confident82.1Confident0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-83.7-36-179.5-54.6-168.7000110.6L339 Y340 S342 R347 A348 K353 I356 L360L339-I345 HydrophobicContact CB-CD1 3.93Å; L339-I345 VanDerWaalsContact O-CD1 3.32Å; L339-I345 WeakPolarHBondContact O-CD1 3.45Å; Y340-I345 HydrophobicContact CD2-CG2 4.04Å; S342-I345 PolarHBondContact O-N 3.36Å; S342-I345 VanDerWaalsContact O-N 3.07Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 2.87Å; I345-A348 PolarHBondContact O-N 2.95Å; I345-K353 HydrophobicContact CG2-CB 3.99Å; I345-K353 HydrophobicContact CG2-CD 4.16Å; I345-K353 HydrophobicContact CG2-CG 3.91Å; I345-K353 VanDerWaalsContact O-CE 3.31Å; I345-K353 WeakPolarHBondContact O-CE 3.39Å; I345-I356 HydrophobicContact CG1-CG2 4.15Å; I345-L360 HydrophobicContact CD1-CD2 4.07Å; I345-L360 HydrophobicContact CG1-CD2 4.2Å
346G76.9Confident82.4Confident45 Ų4561 Ų6146%0.46431%0.311SS..Hα-helixtrans-58.4-38178.900000113.5S342S342-G346 PolarHBondContact O-N 3.41Å; S342-G346 VanDerWaalsContact O-N 3.08Å
347R80.5Confident82.7Confident223 Ų22357.1 Ų57.184%0.84230%0.296SS*.THydrogen-bonded Turntrans-82-20.6-179.1-67.6176.4-178.4176.40.3114.6P343 I345P343-R347 WeakPolarHBondContact O-CG 3.47Å; P343-R347 PolarHBondContact O-N 3.36Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 2.87Å
348A80.2Confident82.9Confident12 Ų1264.5 Ų64.510%0.09932%0.32CS..SBendtrans-76.9153.7-174.800000113I345 K353 I356I345-A348 PolarHBondContact O-N 2.95Å; A348-K353 HydrophobicContact CB-CG 4.25Å; A348-K353 WeakPolarHBondContact O-CE 2.88Å; A348-I356 HydrophobicContact CB-CD1 3.32Å
349A82.1Confident83.1Confident59 Ų5964.7 Ų64.749%0.48832%0.32SS..  trans-62.2144.2173.600000111.5K351 D352 K353A349-K351 PolarHBondContact O-N 3.46Å; A349-D352 PolarHBondContact O-N 3.28Å; A349-K353 WeakPolarHBondContact O-CG 3.35Å; A349-K353 PolarHBondContact O-N 3.3Å; A349-K353 VanDerWaalsContact O-N 3.11Å
350T81.3Confident83.3Confident114 Ų11464.7 Ų64.770%0.69932%0.32SS*.THydrogen-bonded Turntrans-54-31.6-175.4-54.60000113.8
351K83.9Confident83.9Confident192 Ų19260.6 Ų60.684%0.83530%0.304SS*.THydrogen-bonded Turntrans-66.6-36.3177-67-179.1179.5178.40112.4A349A349-K351 PolarHBondContact O-N 3.46Å
352D85.6Confident84.6Confident30 Ų3058 Ų5816%0.1629%0.294CS..THydrogen-bonded Turntrans-96.8-16.7-171.8-61.8-48.7000113.8A349 G354 K355 I356 I396A349-D352 PolarHBondContact O-N 3.28Å; D352-G354 PolarHBondContact O-N 3.34Å; D352-G354 VanDerWaalsContact O-N 3.07Å; D352-K355 PolarHBondContact O-N 2.91Å; D352-I356 HydrophobicContact CB-CD1 4.18Å; D352-I356 WeakPolarHBondContact O-CG1 3.49Å; D352-I356 PolarHBondContact O-N 3.08Å; D352-I396 HydrophobicContact CB-CG2 3.6Å; D352-I396 WeakPolarHBondContact OD1-CG2 3.31Å
353K86.2Confident85.2Confident21 Ų2159.5 Ų59.59%0.09130%0.3CS..Hα-helixtrans-48.1-39.8176.1-72.8-173.8-177.1-176.10113.1Y336 Y340 I345 A348 A349 S357Y336-K353 HydrophobicContact CE1-CB 4.34Å; Y340-K353 HydrophobicContact CE2-CD 3.95Å; Y340-K353 PolarHBondContact OH-NZ 3.11Å; I345-K353 HydrophobicContact CG2-CB 3.99Å; I345-K353 HydrophobicContact CG2-CD 4.16Å; I345-K353 HydrophobicContact CG2-CG 3.91Å; I345-K353 VanDerWaalsContact O-CE 3.31Å; I345-K353 WeakPolarHBondContact O-CE 3.39Å; A348-K353 HydrophobicContact CB-CG 4.25Å; A348-K353 WeakPolarHBondContact O-CE 2.88Å; A349-K353 WeakPolarHBondContact O-CG 3.35Å; A349-K353 PolarHBondContact O-N 3.3Å; A349-K353 VanDerWaalsContact O-N 3.11Å; K353-S357 VanDerWaalsContact O-CB 3.23Å; K353-S357 WeakPolarHBondContact O-CB 3.42Å; K353-S357 PolarHBondContact O-N 2.97Å
354G86.4Confident86Confident16 Ų1656.1 Ų56.117%0.16528%0.279CS..Hα-helixtrans-67.8-39.6178.500000113.7D352 R358D352-G354 PolarHBondContact O-N 3.34Å; D352-G354 VanDerWaalsContact O-N 3.07Å; G354-R358 PolarHBondContact O-N 3.07Å
355K87.7Confident86.9Confident123 Ų12354.6 Ų54.654%0.53527%0.272SS..Hα-helixtrans-68.2-48.2177.1-65.5178.9-176.6170.60110D352 S357 R358 F359 W392 I396D352-K355 PolarHBondContact O-N 2.91Å; K355-S357 VanDerWaalsContact C-N 3.34Å; K355-S357 PolarHBondContact O-N 3.41Å; K355-R358 PolarHBondContact O-N 3.15Å; K355-F359 PolarHBondContact O-N 3.39Å; K355-F359 VanDerWaalsContact O-N 3.14Å; K355-W392 HydrophobicContact CB-CH2 3.95Å; K355-W392 HydrophobicContact CB-CZ3 4.33Å; K355-W392 VanDerWaalsContact O-CH2 3.31Å; K355-W392 WeakPolarHBondContact O-CH2 3.48Å; K355-W392 VanDerWaalsContact O-CZ3 3.22Å; K355-W392 WeakPolarHBondContact O-CZ3 3.39Å; K355-I396 HydrophobicContact CB-CD1 4.1Å
356I88.4Confident87.6Confident2 Ų257.9 Ų57.91%0.0129%0.289CS..Hα-helixtrans-58.4-44.2177.1-63166.8000111I345 A348 D352 R358 F359 L360 W392 I396I345-I356 HydrophobicContact CG1-CG2 4.15Å; A348-I356 HydrophobicContact CB-CD1 3.32Å; D352-I356 HydrophobicContact CB-CD1 4.18Å; D352-I356 WeakPolarHBondContact O-CG1 3.49Å; D352-I356 PolarHBondContact O-N 3.08Å; I356-R358 VanDerWaalsContact C-N 3.34Å; I356-R358 PolarHBondContact O-N 3.09Å; I356-F359 PolarHBondContact O-N 2.88Å; I356-L360 VanDerWaalsContact O-CB 3.29Å; I356-L360 WeakPolarHBondContact O-CB 3.2Å; I356-L360 PolarHBondContact O-N 2.86Å; I356-W392 HydrophobicContact CG1-CZ3 4.39Å; I356-I396 HydrophobicContact CG1-CD1 4.26Å
357S89.5Confident88.3Confident0 Ų055.7 Ų55.70%027%0.267CS..Hα-helixtrans-59.3-42.4176.6-170.90000112.9Q315 K353 K355 L360 A361Q315-S357 WeakPolarHBondContact CG-OG 3.48Å; K353-S357 VanDerWaalsContact O-CB 3.23Å; K353-S357 WeakPolarHBondContact O-CB 3.42Å; K353-S357 PolarHBondContact O-N 2.97Å; K355-S357 VanDerWaalsContact C-N 3.34Å; K355-S357 PolarHBondContact O-N 3.41Å; S357-L360 PolarHBondContact O-N 2.91Å; S357-A361 VanDerWaalsContact O-CB 3.28Å; S357-A361 WeakPolarHBondContact O-CB 3.3Å; S357-A361 PolarHBondContact O-N 2.86Å
358R90.2Very high88.9Confident166 Ų16645.1 Ų45.163%0.62623%0.227SC*.Hα-helixtrans-64.7-44.5178.7-171.8176.5-175163.91.3112.1G354 K355 I356 A361 N362G354-R358 PolarHBondContact O-N 3.07Å; K355-R358 PolarHBondContact O-N 3.15Å; I356-R358 VanDerWaalsContact C-N 3.34Å; I356-R358 PolarHBondContact O-N 3.09Å; R358-A361 PolarHBondContact O-N 2.94Å; R358-N362 PolarHBondContact O-N 2.9Å; R358-N362 PolarHBondContact O-ND2 3.37Å
359F90.9Very high89.5Confident39 Ų3949.6 Ų49.617%0.17124%0.241CC..Hα-helixtrans-67.7-42.1177.8-171.3-95.9000111.8K355 I356 A361 N362 K363 V389 W392K355-F359 PolarHBondContact O-N 3.39Å; K355-F359 VanDerWaalsContact O-N 3.14Å; I356-F359 PolarHBondContact O-N 2.88Å; F359-A361 PolarHBondContact O-N 2.94Å; F359-N362 WeakPolarHBondContact O-CB 3.35Å; F359-N362 PolarHBondContact O-N 2.92Å; F359-K363 HydrophobicContact CD1-CG 4.18Å; F359-K363 HydrophobicContact CE1-CD 4.38Å; F359-K363 HydrophobicContact CE1-CG 3.89Å; F359-K363 HydrophobicContact CZ-CD 4.41Å; F359-K363 HydrophobicContact CZ-CG 4.35Å; F359-K363 WeakPolarHBondContact O-CG 3.41Å; F359-K363 PolarHBondContact O-N 3.04Å; F359-K363 VanDerWaalsContact O-N 3.08Å; F359-V389 HydrophobicContact CD1-CB 4.5Å; F359-V389 HydrophobicContact CD1-CG2 3.99Å; F359-V389 HydrophobicContact CE1-CB 4.38Å; F359-V389 HydrophobicContact CE1-CG2 3.9Å; F359-W392 HydrophobicContact CB-CD2 4.02Å; F359-W392 HydrophobicContact CB-CE3 3.39Å; F359-W392 HydrophobicContact CB-CH2 3.66Å; F359-W392 HydrophobicContact CB-CZ2 4.28Å; F359-W392 HydrophobicContact CB-CZ3 3.19Å; F359-W392 HydrophobicContact CD1-CB 4.13Å; F359-W392 HydrophobicContact CD1-CD2 4.05Å; F359-W392 AromaticContact CD1-CE3 3.85Å; F359-W392 HydrophobicContact CD1-CE3 3.85Å; F359-W392 HydrophobicContact CD1-CG 4.21Å; F359-W392 AromaticContact CD2-CD2 3.85Å; F359-W392 HydrophobicContact CD2-CD2 3.85Å; F359-W392 AromaticContact CD2-CE2 3.97Å; F359-W392 HydrophobicContact CD2-CE3 4.12Å; F359-W392 HydrophobicContact CD2-CG 4.17Å; F359-W392 HydrophobicContact CD2-CZ2 4.31Å; F359-W392 HydrophobicContact CD2-CZ3 4.44Å; F359-W392 HydrophobicContact CE1-CB 3.86Å; F359-W392 HydrophobicContact CE1-CD2 4.5Å; F359-W392 HydrophobicContact CE1-CG 4.18Å; F359-W392 HydrophobicContact CE2-CD2 4.3Å; F359-W392 HydrophobicContact CE2-CG 4.13Å; F359-W392 AromaticContact CG-CD2 3.7Å; F359-W392 HydrophobicContact CG-CD2 3.7Å; F359-W392 AromaticContact CG-CE3 3.52Å; F359-W392 HydrophobicContact CG-CE3 3.52Å; F359-W392 HydrophobicContact CG-CG 4.2Å; F359-W392 HydrophobicContact CG-CH2 4.32Å; F359-W392 AromaticContact CG-CZ3 3.86Å; F359-W392 HydrophobicContact CG-CZ3 3.86Å; F359-W392 HydrophobicContact CZ-CB 4.07Å; F359-W392 HydrophobicContact CZ-CG 4.13Å
360L91.3Very high89.9Confident0 Ų049 Ų490%023%0.229CC..Hα-helixtrans-59.8-46174.8-17661.3000111.1V287 V288 L339 I345 I356 S357 N362 K363 C364 V389V287-L360 HydrophobicContact CG1-CD1 3.79Å; V288-L360 HydrophobicContact CG1-CD1 3.87Å; V288-L360 HydrophobicContact CG1-CD2 4.18Å; V288-L360 HydrophobicContact CG1-CG 4.1Å; L339-L360 HydrophobicContact CB-CD2 4.48Å; L339-L360 HydrophobicContact CD2-CD2 4.19Å; L339-L360 HydrophobicContact CD2-CG 4.45Å; I345-L360 HydrophobicContact CD1-CD2 4.07Å; I345-L360 HydrophobicContact CG1-CD2 4.2Å; I356-L360 VanDerWaalsContact O-CB 3.29Å; I356-L360 WeakPolarHBondContact O-CB 3.2Å; I356-L360 PolarHBondContact O-N 2.86Å; S357-L360 PolarHBondContact O-N 2.91Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.34Å; L360-K363 PolarHBondContact O-N 3.41Å; L360-K363 VanDerWaalsContact O-N 3.12Å; L360-C364 PolarHBondContact O-N 3.15Å; L360-C364 PolarHBondContact O-SG 3.4Å; L360-V389 HydrophobicContact CD1-CG1 4.12Å; L360-V389 HydrophobicContact CD1-CG2 4.16Å
361A92.6Very high90.3Very high0 Ų044.1 Ų44.10%020%0.199CC..Hα-helixtrans-60.6-40.4177.500000112.5A311 I314 Q315 L339 S357 R358 F359 K363 C364 A365A311-A361 WeakPolarHBondContact O-CB 3.1Å; I314-A361 HydrophobicContact CG2-CB 4.41Å; Q315-A361 HydrophobicContact CB-CB 3.76Å; Q315-A361 HydrophobicContact CG-CB 4.41Å; L339-A361 HydrophobicContact CD1-CB 3.81Å; S357-A361 VanDerWaalsContact O-CB 3.28Å; S357-A361 WeakPolarHBondContact O-CB 3.3Å; S357-A361 PolarHBondContact O-N 2.86Å; R358-A361 PolarHBondContact O-N 2.94Å; F359-A361 PolarHBondContact O-N 2.94Å; A361-K363 VanDerWaalsContact C-N 3.34Å; A361-K363 PolarHBondContact O-N 3.46Å; A361-C364 PolarHBondContact O-N 3.28Å; A361-A365 PolarHBondContact O-N 3.22Å
362N93.7Very high90.4Very high68 Ų6836.2 Ų36.236%0.36417%0.168SC..Hα-helixtrans-59.5-44.3173.3-72.6-21.2000111.7A311 R358 F359 L360 A365 I366A311-N362 HydrophobicContact CB-CB 4.39Å; A311-N362 WeakPolarHBondContact CB-OD1 3.46Å; R358-N362 PolarHBondContact O-N 2.9Å; R358-N362 PolarHBondContact O-ND2 3.37Å; F359-N362 WeakPolarHBondContact O-CB 3.35Å; F359-N362 PolarHBondContact O-N 2.92Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.34Å; N362-A365 PolarHBondContact O-N 3.47Å; N362-I366 WeakPolarHBondContact O-CG1 3.44Å; N362-I366 PolarHBondContact O-N 3.2Å
363K93Very high90.4Very high32 Ų3242 Ų4214%0.13919%0.192CC..Hα-helixtrans-71.2-34.9179.5-62.1-68.6168.6-173.20112.2V287 F359 L360 A361 I366 A367 L385 V389V287-K363 HydrophobicContact CG1-CB 4.38Å; F359-K363 HydrophobicContact CD1-CG 4.18Å; F359-K363 HydrophobicContact CE1-CD 4.38Å; F359-K363 HydrophobicContact CE1-CG 3.89Å; F359-K363 HydrophobicContact CZ-CD 4.41Å; F359-K363 HydrophobicContact CZ-CG 4.35Å; F359-K363 WeakPolarHBondContact O-CG 3.41Å; F359-K363 PolarHBondContact O-N 3.04Å; F359-K363 VanDerWaalsContact O-N 3.08Å; L360-K363 PolarHBondContact O-N 3.41Å; L360-K363 VanDerWaalsContact O-N 3.12Å; A361-K363 VanDerWaalsContact C-N 3.34Å; A361-K363 PolarHBondContact O-N 3.46Å; K363-I366 PolarHBondContact O-N 3.48Å; K363-A367 WeakPolarHBondContact O-CB 3.12Å; K363-A367 PolarHBondContact O-N 3.17Å; K363-L385 HydrophobicContact CD-CD2 3.54Å; K363-V389 HydrophobicContact CB-CG2 4.05Å; K363-V389 HydrophobicContact CG-CG2 3.8Å
364C92.2Very high90.2Very high1 Ų143 Ų431%0.00720%0.204CC..Hα-helixtrans-62.2-44.3171.8-64.20000111.5L284 V288 I314 L360 A361 I366 A367 S368L284-C364 HydrophobicContact CD1-CB 4.2Å; V288-C364 WeakPolarHBondContact CG1-SG 3.04Å; I314-C364 HydrophobicContact CG2-CB 4.23Å; L360-C364 PolarHBondContact O-N 3.15Å; L360-C364 PolarHBondContact O-SG 3.4Å; A361-C364 PolarHBondContact O-N 3.28Å; C364-I366 VanDerWaalsContact C-N 3.29Å; C364-I366 PolarHBondContact O-N 3.03Å; C364-A367 PolarHBondContact O-N 2.61Å; C364-S368 WeakPolarHBondContact O-CB 3.4Å; C364-S368 PolarHBondContact O-N 3.08Å; C364-S368 PolarHBondContact O-OG 3.25Å; C364-S368 VanDerWaalsContact O-OG 3.07Å
365A93.4Very high89.6Confident3 Ų351.5 Ų51.53%0.02524%0.239CC..Hα-helixtrans-59.1-42.1177.900000111.7A311 I314 A361 N362 S368 R369A311-A365 HydrophobicContact CB-CB 4.14Å; I314-A365 HydrophobicContact CD1-CB 3.74Å; A361-A365 PolarHBondContact O-N 3.22Å; N362-A365 PolarHBondContact O-N 3.47Å; A365-S368 WeakPolarHBondContact CA-OG 3.44Å; A365-S368 PolarHBondContact O-OG 3.28Å; A365-R369 VanDerWaalsContact O-CG 3.3Å; A365-R369 WeakPolarHBondContact O-CG 3.44Å; A365-R369 PolarHBondContact O-N 3.18Å
366I93.5Very high89.2Confident69 Ų6951.1 Ų51.135%0.35424%0.242SC..Hα-helixtrans-65.9-49.8176.4-64.5165.3000110N362 K363 C364 S368 R369 I370 L385N362-I366 WeakPolarHBondContact O-CG1 3.44Å; N362-I366 PolarHBondContact O-N 3.2Å; K363-I366 PolarHBondContact O-N 3.48Å; C364-I366 VanDerWaalsContact C-N 3.29Å; C364-I366 PolarHBondContact O-N 3.03Å; I366-S368 VanDerWaalsContact C-N 3.35Å; I366-S368 PolarHBondContact O-N 3.22Å; I366-R369 PolarHBondContact O-N 3.06Å; I366-R369 VanDerWaalsContact O-N 3.12Å; I366-I370 HydrophobicContact CG2-CD1 3.85Å; I366-I370 HydrophobicContact CG2-CG1 4.45Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 2.73Å; I366-L385 HydrophobicContact CG2-CD1 4.22Å; I366-L385 HydrophobicContact CG2-CD2 4.37Å
367A92.6Very high88.5Confident0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-58.1-44.8179.300000112.2V287 K363 C364 R369 I370 D371 L385V287-A367 HydrophobicContact CG2-CB 4.3Å; K363-A367 WeakPolarHBondContact O-CB 3.12Å; K363-A367 PolarHBondContact O-N 3.17Å; C364-A367 PolarHBondContact O-N 2.61Å; A367-R369 VanDerWaalsContact C-N 3.28Å; A367-R369 PolarHBondContact O-N 2.99Å; A367-I370 PolarHBondContact O-N 3.01Å; A367-D371 PolarHBondContact O-N 3.29Å; A367-L385 HydrophobicContact CB-CD1 4.02Å
368S91.7Very high88.2Confident0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-63.3-31.8177.656.40000113.3C364 A365 I366 C372C364-S368 WeakPolarHBondContact O-CB 3.4Å; C364-S368 PolarHBondContact O-N 3.08Å; C364-S368 PolarHBondContact O-OG 3.25Å; C364-S368 VanDerWaalsContact O-OG 3.07Å; A365-S368 WeakPolarHBondContact CA-OG 3.44Å; A365-S368 PolarHBondContact O-OG 3.28Å; I366-S368 VanDerWaalsContact C-N 3.35Å; I366-S368 PolarHBondContact O-N 3.22Å; S368-C372 WeakPolarHBondContact O-CB 3.35Å; S368-C372 PolarHBondContact O-N 3.1Å; S368-C372 VanDerWaalsContact O-N 3.08Å
369R92.5Very high87.9Confident106 Ų10652.1 Ų52.140%0.427%0.267SS..Hα-helixtrans-74.7-40.7176.5-72.8171.1-168.6161.84.3111.5A307 Y309 A365 I366 A367 C372 F373A307-R369 HydrophobicContact CB-CG 4Å; A307-R369 VanDerWaalsContact O-CG 3.32Å; A307-R369 WeakPolarHBondContact O-CG 3.46Å; A307-R369 PolarHBondContact O-NE 3.39Å; Y309-R369 PolarHBondContact O-NH2 3.3Å; A365-R369 VanDerWaalsContact O-CG 3.3Å; A365-R369 WeakPolarHBondContact O-CG 3.44Å; A365-R369 PolarHBondContact O-N 3.18Å; I366-R369 PolarHBondContact O-N 3.06Å; I366-R369 VanDerWaalsContact O-N 3.12Å; A367-R369 VanDerWaalsContact C-N 3.28Å; A367-R369 PolarHBondContact O-N 2.99Å; R369-C372 PolarHBondContact O-N 3.1Å; R369-F373 HydrophobicContact CB-CD2 4.38Å; R369-F373 VanDerWaalsContact O-CD2 3.23Å; R369-F373 WeakPolarHBondContact O-CD2 3.22Å; R369-F373 PolarHBondContact O-N 2.93Å
370I91Very high87.7Confident46 Ų4654.1 Ų54.124%0.23628%0.278CS..Hα-helixtrans-60.2-51174.8-65.3169.3000109I366 A367 C372 F373 A374 Y381I366-I370 HydrophobicContact CG2-CD1 3.85Å; I366-I370 HydrophobicContact CG2-CG1 4.45Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 2.73Å; A367-I370 PolarHBondContact O-N 3.01Å; I370-C372 VanDerWaalsContact C-N 3.28Å; I370-C372 PolarHBondContact O-N 3.48Å; I370-F373 PolarHBondContact O-N 3.29Å; I370-A374 HydrophobicContact CG2-CB 4.4Å; I370-A374 WeakPolarHBondContact O-CA 3.45Å; I370-A374 WeakPolarHBondContact O-CB 3.45Å; I370-A374 PolarHBondContact O-N 2.88Å; I370-Y381 HydrophobicContact CD1-CG 4.31Å; I370-Y381 HydrophobicContact CG2-CD2 3.9Å; I370-Y381 HydrophobicContact CG2-CE2 4.48Å; I370-Y381 HydrophobicContact CG2-CG 4.26Å
371D90Very high87.6Confident12 Ų1259.5 Ų59.56%0.06430%0.3CS..Hα-helixtrans-64.3-31.5-178.7-68-25.7000112.8A281 S283 L284 L303 A367A281-D371 VanDerWaalsContact C-OD2 3.3Å; A281-D371 VanDerWaalsContact CA-OD2 3.3Å; A281-D371 WeakPolarHBondContact CA-OD2 3.42Å; A281-D371 HydrophobicContact CB-CB 4.06Å; A281-D371 WeakPolarHBondContact CB-OD2 3.39Å; S283-D371 WeakPolarHBondContact CB-OD1 3.48Å; S283-D371 WeakPolarHBondContact CB-OD2 3.4Å; S283-D371 PolarHBondContact N-OD1 3.44Å; S283-D371 VanDerWaalsContact N-OD1 3.12Å; S283-D371 PolarHBondContact N-OD2 3.42Å; S283-D371 PolarHBondContact OG-OD1 3.07Å; L284-D371 WeakPolarHBondContact CB-OD2 3.48Å; L284-D371 PolarHBondContact N-OD2 2.83Å; L303-D371 HydrophobicContact CD2-CB 4.26Å; A367-D371 PolarHBondContact O-N 3.29Å
372C86Confident87.2Confident27 Ų2759.5 Ų59.518%0.18230%0.3CS..Hα-helixtrans-76.5-35.1178.9177.30000114L303 N304 A307 S368 R369 I370L303-C372 HydrophobicContact CG-CB 4.38Å; N304-C372 PolarHBondContact OD1-SG 2.84Å; A307-C372 HydrophobicContact CB-CB 3.77Å; S368-C372 WeakPolarHBondContact O-CB 3.35Å; S368-C372 PolarHBondContact O-N 3.1Å; S368-C372 VanDerWaalsContact O-N 3.08Å; R369-C372 PolarHBondContact O-N 3.1Å; I370-C372 VanDerWaalsContact C-N 3.28Å; I370-C372 PolarHBondContact O-N 3.48Å
373F86.4Confident87Confident152 Ų15261.5 Ų61.567%0.66731%0.307SS*.Hα-helixtrans-111.2-9.9-171.7-64.3-65.7000114R369 I370R369-F373 HydrophobicContact CB-CD2 4.38Å; R369-F373 VanDerWaalsContact O-CD2 3.23Å; R369-F373 WeakPolarHBondContact O-CD2 3.22Å; R369-F373 PolarHBondContact O-N 2.93Å; I370-F373 PolarHBondContact O-N 3.29Å
374A81.9Confident87Confident40 Ų4066.4 Ų66.433%0.33133%0.33SS..  trans-74134.1175.200000110.6I370 I376I370-A374 HydrophobicContact CG2-CB 4.4Å; I370-A374 WeakPolarHBondContact O-CA 3.45Å; I370-A374 WeakPolarHBondContact O-CB 3.45Å; I370-A374 PolarHBondContact O-N 2.88Å; A374-I376 VanDerWaalsContact C-N 3.28Å; A374-I376 PolarHBondContact O-N 3Å
375E73Confident86.8Confident195 Ų19567.1 Ų67.191%0.91133%0.333SS*.SBendtrans-67.2-32.5173.7-62.9178.6175.300111.8
376I78.9Confident86.6Confident116 Ų11670.8 Ų70.860%0.59535%0.349SS*.SBendtrans-120.8114.3178.5-53.3174.8000108.7A374 L378A374-I376 VanDerWaalsContact C-N 3.28Å; A374-I376 PolarHBondContact O-N 3Å; I376-L378 HydrophobicContact CG2-CD2 3.98Å; I376-L378 HydrophobicContact CG2-CG 4.02Å; I376-L378 PolarHBondContact O-N 2.96Å; I376-L378 VanDerWaalsContact O-N 3.16Å
377P74.7Confident86.4Confident63 Ų6369.9 Ų69.941%0.40935%0.351SS..  trans-73.5108.1177.730-33.7000109.8P282P282-P377 HydrophobicContact CG-CB 3.72Å
378L82.5Confident86.2Confident74 Ų7474 Ų7439%0.38737%0.37SS..  trans-114.5137.3179.6-64.5171.4000111.1S283 I376 I380 Y381S283-L378 PolarHBondContact OG-O 2.85Å; I376-L378 HydrophobicContact CG2-CD2 3.98Å; I376-L378 HydrophobicContact CG2-CG 4.02Å; I376-L378 PolarHBondContact O-N 2.96Å; I376-L378 VanDerWaalsContact O-N 3.16Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CD1 4.36Å; L378-I380 HydrophobicContact CB-CG1 4.02Å; L378-I380 HydrophobicContact CD1-CD1 4.04Å; L378-I380 PolarHBondContact O-N 3.19Å; L378-Y381 HydrophobicContact CB-CD2 4.44Å; L378-Y381 HydrophobicContact CB-CE2 4.42Å; L378-Y381 HydrophobicContact CD1-CE2 4.46Å
379S84.1Confident85.9Confident51 Ų5174 Ų7436%0.35737%0.371SS..SBendtrans-75-19.2178.964.90000114.3Y381 G382 E383S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 3.39Å; S379-G382 WeakPolarHBondContact O-CA 3.42Å; S379-G382 PolarHBondContact O-N 3.37Å; S379-E383 PolarHBondContact O-N 2.86Å; S379-E383 PolarHBondContact OG-OE1 3.31Å; S379-E383 VanDerWaalsContact OG-OE1 3.14Å
380I87.6Confident85.6Confident82 Ų8272.4 Ų72.442%0.42137%0.37SS..Hα-helixtrans-54.8-41.2-172.762.9-177.8000112.5L378 G382 E383 H384L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CD1 4.36Å; L378-I380 HydrophobicContact CB-CG1 4.02Å; L378-I380 HydrophobicContact CD1-CD1 4.04Å; L378-I380 PolarHBondContact O-N 3.19Å; I380-G382 PolarHBondContact O-N 3.29Å; I380-E383 PolarHBondContact O-N 3.31Å; I380-H384 PolarHBondContact O-CD2 3.26Å; I380-H384 PolarHBondContact O-N 3.35Å; I380-H384 VanDerWaalsContact O-N 3.08Å
381Y87.8Confident85.4Confident113 Ų11379 Ų7944%0.44339%0.392SS..Hα-helixtrans-64.8-44.2179.1-61.3-70.2000110.6I370 L378 S379 E383 H384 L385I370-Y381 HydrophobicContact CD1-CG 4.31Å; I370-Y381 HydrophobicContact CG2-CD2 3.9Å; I370-Y381 HydrophobicContact CG2-CE2 4.48Å; I370-Y381 HydrophobicContact CG2-CG 4.26Å; L378-Y381 HydrophobicContact CB-CD2 4.44Å; L378-Y381 HydrophobicContact CB-CE2 4.42Å; L378-Y381 HydrophobicContact CD1-CE2 4.46Å; S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 3.39Å; Y381-E383 VanDerWaalsContact C-N 3.33Å; Y381-E383 PolarHBondContact O-N 3.12Å; Y381-H384 PolarHBondContact O-N 2.95Å; Y381-L385 WeakPolarHBondContact O-CB 3.37Å; Y381-L385 WeakPolarHBondContact O-CG 3.31Å; Y381-L385 PolarHBondContact O-N 2.92Å
382G85.4Confident85Confident0 Ų082.6 Ų82.60%041%0.405CS..Hα-helixtrans-61.7-38.2176.400000113.3S283 V287 S379 I380 L385 K386S283-G382 WeakPolarHBondContact O-CA 3.48Å; V287-G382 WeakPolarHBondContact CG2-O 3.49Å; S379-G382 WeakPolarHBondContact O-CA 3.42Å; S379-G382 PolarHBondContact O-N 3.37Å; I380-G382 PolarHBondContact O-N 3.29Å; G382-L385 PolarHBondContact O-N 3.32Å; G382-K386 VanDerWaalsContact O-CB 3.31Å; G382-K386 WeakPolarHBondContact O-CB 3.11Å; G382-K386 PolarHBondContact O-N 3.12Å
383E90Very high84.7Confident110 Ų11082.2 Ų82.251%0.51440%0.403SS..Hα-helixtrans-66.5-44.5177-70.7172.7-152.800112.2A286 S379 I380 Y381 L385 K386 A387A286-E383 HydrophobicContact CB-CG 4.44Å; S379-E383 PolarHBondContact O-N 2.86Å; S379-E383 PolarHBondContact OG-OE1 3.31Å; S379-E383 VanDerWaalsContact OG-OE1 3.14Å; I380-E383 PolarHBondContact O-N 3.31Å; Y381-E383 VanDerWaalsContact C-N 3.33Å; Y381-E383 PolarHBondContact O-N 3.12Å; E383-L385 VanDerWaalsContact C-N 3.34Å; E383-L385 PolarHBondContact O-N 2.86Å; E383-K386 WeakPolarHBondContact O-CB 3.24Å; E383-K386 PolarHBondContact O-N 3.45Å; E383-A387 PolarHBondContact O-N 3Å
384H91.2Very high84.3Confident135 Ų13580.4 Ų80.463%0.62539%0.394SS*.Hα-helixtrans-62-41.9173.4-80.2-71.8000112I380 Y381 A387 Q388I380-H384 PolarHBondContact O-CD2 3.26Å; I380-H384 PolarHBondContact O-N 3.35Å; I380-H384 VanDerWaalsContact O-N 3.08Å; Y381-H384 PolarHBondContact O-N 2.95Å; H384-A387 PolarHBondContact O-N 3.26Å; H384-Q388 WeakPolarHBondContact O-CG 3.45Å; H384-Q388 PolarHBondContact O-N 2.92Å; H384-Q388 VanDerWaalsContact O-N 3.07Å
385L88.9Confident84.1Confident15 Ų1581.8 Ų81.88%0.07940%0.401CS..Hα-helixtrans-64-41.2176.2-68.4169.7000111.3V287 K363 I366 A367 Y381 G382 E383 Q388 V389V287-L385 HydrophobicContact CG2-CB 3.7Å; V287-L385 HydrophobicContact CG2-CD1 4.39Å; K363-L385 HydrophobicContact CD-CD2 3.54Å; I366-L385 HydrophobicContact CG2-CD1 4.22Å; I366-L385 HydrophobicContact CG2-CD2 4.37Å; A367-L385 HydrophobicContact CB-CD1 4.02Å; Y381-L385 WeakPolarHBondContact O-CB 3.37Å; Y381-L385 WeakPolarHBondContact O-CG 3.31Å; Y381-L385 PolarHBondContact O-N 2.92Å; G382-L385 PolarHBondContact O-N 3.32Å; E383-L385 VanDerWaalsContact C-N 3.34Å; E383-L385 PolarHBondContact O-N 2.86Å; L385-Q388 WeakPolarHBondContact O-CB 3.44Å; L385-Q388 PolarHBondContact O-N 2.67Å; L385-V389 WeakPolarHBondContact O-CG2 3.41Å; L385-V389 PolarHBondContact O-N 2.87Å
386K88.8Confident84.3Confident81 Ų8173.9 Ų73.935%0.35237%0.365SS..Hα-helixtrans-61.8-43.7174.7-171.3-168.5-160.6158.50111.8A286 F344 G382 E383 Q388 V389 N390A286-K386 WeakPolarHBondContact O-CD 3.5Å; A286-K386 WeakPolarHBondContact O-CE 3.23Å; A286-K386 PolarHBondContact O-NZ 3.25Å; F344-K386 HydrophobicContact CZ-CG 4.1Å; G382-K386 VanDerWaalsContact O-CB 3.31Å; G382-K386 WeakPolarHBondContact O-CB 3.11Å; G382-K386 PolarHBondContact O-N 3.12Å; E383-K386 WeakPolarHBondContact O-CB 3.24Å; E383-K386 PolarHBondContact O-N 3.45Å; K386-Q388 VanDerWaalsContact C-N 3.28Å; K386-Q388 PolarHBondContact O-N 3.46Å; K386-V389 PolarHBondContact O-N 2.66Å; K386-V389 VanDerWaalsContact O-N 3.15Å; K386-N390 PolarHBondContact O-N 2.88Å
387A89.5Confident83.9Confident49 Ų4970.9 Ų70.941%0.40535%0.354SS..Hα-helixtrans-60.3-39.1176.200000111.8E383 H384 N390 R391E383-A387 PolarHBondContact O-N 3Å; H384-A387 PolarHBondContact O-N 3.26Å; A387-N390 PolarHBondContact O-N 3.25Å; A387-R391 WeakPolarHBondContact O-CB 3.39Å; A387-R391 PolarHBondContact O-N 3.31Å
388Q88.5Confident83.9Confident86 Ų8673.4 Ų73.440%0.40236%0.359SS..Hα-helixtrans-65.1-41.6173.8-69.2175.35.300112.3H384 L385 K386 R391 W392H384-Q388 WeakPolarHBondContact O-CG 3.45Å; H384-Q388 PolarHBondContact O-N 2.92Å; H384-Q388 VanDerWaalsContact O-N 3.07Å; L385-Q388 WeakPolarHBondContact O-CB 3.44Å; L385-Q388 PolarHBondContact O-N 2.67Å; K386-Q388 VanDerWaalsContact C-N 3.28Å; K386-Q388 PolarHBondContact O-N 3.46Å; Q388-R391 PolarHBondContact O-N 3.44Å; Q388-W392 VanDerWaalsContact O-CB 3.31Å; Q388-W392 WeakPolarHBondContact O-CB 3.26Å; Q388-W392 PolarHBondContact O-N 3.45Å
389V86.4Confident82.9Confident2 Ų274.1 Ų74.11%0.01237%0.368CS..Hα-helixtrans-60.7-44.8174.7174.60000111.1F344 F359 L360 K363 L385 K386 W392 S393F344-V389 HydrophobicContact CG-CG1 4.39Å; F359-V389 HydrophobicContact CD1-CB 4.5Å; F359-V389 HydrophobicContact CD1-CG2 3.99Å; F359-V389 HydrophobicContact CE1-CB 4.38Å; F359-V389 HydrophobicContact CE1-CG2 3.9Å; L360-V389 HydrophobicContact CD1-CG1 4.12Å; L360-V389 HydrophobicContact CD1-CG2 4.16Å; K363-V389 HydrophobicContact CB-CG2 4.05Å; K363-V389 HydrophobicContact CG-CG2 3.8Å; L385-V389 WeakPolarHBondContact O-CG2 3.41Å; L385-V389 PolarHBondContact O-N 2.87Å; K386-V389 PolarHBondContact O-N 2.66Å; K386-V389 VanDerWaalsContact O-N 3.15Å; V389-W392 PolarHBondContact O-N 2.93Å; V389-S393 WeakPolarHBondContact O-CB 3.16Å; V389-S393 PolarHBondContact O-N 2.96Å
390N85.9Confident81.6Confident72 Ų7281.2 Ų81.239%0.38539%0.393SS..Hα-helixtrans-60.7-49.8177.8-74.9-20000111.9F344 K386 A387 W392 S393 F394F344-N390 WeakPolarHBondContact CD1-OD1 2.97Å; F344-N390 WeakPolarHBondContact CE1-OD1 3.31Å; K386-N390 PolarHBondContact O-N 2.88Å; A387-N390 PolarHBondContact O-N 3.25Å; N390-W392 VanDerWaalsContact C-N 3.3Å; N390-W392 PolarHBondContact O-N 3.43Å; N390-S393 PolarHBondContact O-N 2.98Å; N390-F394 PolarHBondContact O-N 3.42Å
391R85.7Confident79.5Confident185 Ų18582.4 Ų82.470%0.69840%0.404SS*.Hα-helixtrans-58.7-44.9178.2-170.5-179.2-61.7179.9-0.3111A387 Q388 F394 C395A387-R391 WeakPolarHBondContact O-CB 3.39Å; A387-R391 PolarHBondContact O-N 3.31Å; Q388-R391 PolarHBondContact O-N 3.44Å; R391-F394 WeakPolarHBondContact O-CB 3.27Å; R391-F394 PolarHBondContact O-N 3.47Å; R391-C395 PolarHBondContact O-N 3.43Å; R391-C395 PolarHBondContact O-SG 3.29Å
392W81.8Confident77.1Confident87 Ų8789.1 Ų89.133%0.3344%0.438SS..Hα-helixtrans-69.2-39.7-178.7-163.476.1000112.9K355 I356 F359 Q388 V389 N390 F394 C395 I396K355-W392 HydrophobicContact CB-CH2 3.95Å; K355-W392 HydrophobicContact CB-CZ3 4.33Å; K355-W392 VanDerWaalsContact O-CH2 3.31Å; K355-W392 WeakPolarHBondContact O-CH2 3.48Å; K355-W392 VanDerWaalsContact O-CZ3 3.22Å; K355-W392 WeakPolarHBondContact O-CZ3 3.39Å; I356-W392 HydrophobicContact CG1-CZ3 4.39Å; F359-W392 HydrophobicContact CB-CD2 4.02Å; F359-W392 HydrophobicContact CB-CE3 3.39Å; F359-W392 HydrophobicContact CB-CH2 3.66Å; F359-W392 HydrophobicContact CB-CZ2 4.28Å; F359-W392 HydrophobicContact CB-CZ3 3.19Å; F359-W392 HydrophobicContact CD1-CB 4.13Å; F359-W392 HydrophobicContact CD1-CD2 4.05Å; F359-W392 AromaticContact CD1-CE3 3.85Å; F359-W392 HydrophobicContact CD1-CE3 3.85Å; F359-W392 HydrophobicContact CD1-CG 4.21Å; F359-W392 AromaticContact CD2-CD2 3.85Å; F359-W392 HydrophobicContact CD2-CD2 3.85Å; F359-W392 AromaticContact CD2-CE2 3.97Å; F359-W392 HydrophobicContact CD2-CE3 4.12Å; F359-W392 HydrophobicContact CD2-CG 4.17Å; F359-W392 HydrophobicContact CD2-CZ2 4.31Å; F359-W392 HydrophobicContact CD2-CZ3 4.44Å; F359-W392 HydrophobicContact CE1-CB 3.86Å; F359-W392 HydrophobicContact CE1-CD2 4.5Å; F359-W392 HydrophobicContact CE1-CG 4.18Å; F359-W392 HydrophobicContact CE2-CD2 4.3Å; F359-W392 HydrophobicContact CE2-CG 4.13Å; F359-W392 AromaticContact CG-CD2 3.7Å; F359-W392 HydrophobicContact CG-CD2 3.7Å; F359-W392 AromaticContact CG-CE3 3.52Å; F359-W392 HydrophobicContact CG-CE3 3.52Å; F359-W392 HydrophobicContact CG-CG 4.2Å; F359-W392 HydrophobicContact CG-CH2 4.32Å; F359-W392 AromaticContact CG-CZ3 3.86Å; F359-W392 HydrophobicContact CG-CZ3 3.86Å; F359-W392 HydrophobicContact CZ-CB 4.07Å; F359-W392 HydrophobicContact CZ-CG 4.13Å; Q388-W392 VanDerWaalsContact O-CB 3.31Å; Q388-W392 WeakPolarHBondContact O-CB 3.26Å; Q388-W392 PolarHBondContact O-N 3.45Å; V389-W392 PolarHBondContact O-N 2.93Å; N390-W392 VanDerWaalsContact C-N 3.3Å; N390-W392 PolarHBondContact O-N 3.43Å; W392-F394 VanDerWaalsContact C-N 3.25Å; W392-F394 PolarHBondContact O-N 3.41Å; W392-C395 PolarHBondContact O-N 3.27Å; W392-I396 HydrophobicContact CD2-CD1 3.6Å; W392-I396 HydrophobicContact CD2-CG1 4.36Å; W392-I396 HydrophobicContact CE3-CD1 3.24Å; W392-I396 HydrophobicContact CE3-CG1 4.37Å; W392-I396 HydrophobicContact CH2-CD1 3.24Å; W392-I396 HydrophobicContact CZ2-CD1 3.55Å; W392-I396 HydrophobicContact CZ2-CG1 4.45Å; W392-I396 HydrophobicContact CZ3-CD1 3.04Å; W392-I396 HydrophobicContact CZ3-CG1 4.42Å; W392-I396 WeakPolarHBondContact O-CG1 3.11Å; W392-I396 PolarHBondContact O-N 3.13Å
393S79.2Confident76.7Confident19 Ų1993.6 Ų93.613%0.13346%0.46CS..Hα-helixtrans-61.3-36.2173.8-169.80000111.9V389 N390 S397V389-S393 WeakPolarHBondContact O-CB 3.16Å; V389-S393 PolarHBondContact O-N 2.96Å; N390-S393 PolarHBondContact O-N 2.98Å; S393-S397 WeakPolarHBondContact O-CB 3.35Å; S393-S397 PolarHBondContact O-N 3.36Å; S393-S397 PolarHBondContact O-OG 2.89Å
394F78.6Confident76Confident113 Ų11392.7 Ų92.750%0.49646%0.457SS..Hα-helixtrans-66.9-49.4173.6-173.5-97.8000111.6N390 R391 W392 I396 S397 F398N390-F394 PolarHBondContact O-N 3.42Å; R391-F394 WeakPolarHBondContact O-CB 3.27Å; R391-F394 PolarHBondContact O-N 3.47Å; W392-F394 VanDerWaalsContact C-N 3.25Å; W392-F394 PolarHBondContact O-N 3.41Å; F394-I396 PolarHBondContact O-N 3.39Å; F394-S397 PolarHBondContact O-N 3.29Å; F394-S397 VanDerWaalsContact O-N 3.1Å; F394-F398 AromaticContact CD2-CD2 3.78Å; F394-F398 HydrophobicContact CD2-CD2 3.78Å; F394-F398 HydrophobicContact CD2-CE2 4.16Å; F394-F398 AromaticContact CE2-CD2 3.53Å; F394-F398 HydrophobicContact CE2-CD2 3.53Å; F394-F398 AromaticContact CE2-CE2 3.84Å; F394-F398 HydrophobicContact CE2-CE2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.37Å; F394-F398 HydrophobicContact CG-CD2 4.4Å; F394-F398 HydrophobicContact CZ-CB 4.49Å; F394-F398 AromaticContact CZ-CD2 3.96Å; F394-F398 HydrophobicContact CZ-CD2 3.96Å; F394-F398 HydrophobicContact CZ-CG 4.38Å; F394-F398 PolarHBondContact O-N 3.19Å
395C78.7Confident75.2Confident70 Ų7090.3 Ų90.347%0.47345%0.448SS..Hα-helixtrans-58.5-33.4178.5-65.60000113.4R391 W392 F398 P399R391-C395 PolarHBondContact O-N 3.43Å; R391-C395 PolarHBondContact O-SG 3.29Å; W392-C395 PolarHBondContact O-N 3.27Å; C395-F398 CarbonylContact O-C 3.58Å; C395-P399 WeakPolarHBondContact O-CA 3.42Å
396I75.5Confident74.4Confident29 Ų2994.8 Ų94.815%0.14947%0.47CS..Hα-helixtrans-74.7-40.6176.3-70171.1000111.9D352 K355 I356 W392 F394 F398D352-I396 HydrophobicContact CB-CG2 3.6Å; D352-I396 WeakPolarHBondContact OD1-CG2 3.31Å; K355-I396 HydrophobicContact CB-CD1 4.1Å; I356-I396 HydrophobicContact CG1-CD1 4.26Å; W392-I396 HydrophobicContact CD2-CD1 3.6Å; W392-I396 HydrophobicContact CD2-CG1 4.36Å; W392-I396 HydrophobicContact CE3-CD1 3.24Å; W392-I396 HydrophobicContact CE3-CG1 4.37Å; W392-I396 HydrophobicContact CH2-CD1 3.24Å; W392-I396 HydrophobicContact CZ2-CD1 3.55Å; W392-I396 HydrophobicContact CZ2-CG1 4.45Å; W392-I396 HydrophobicContact CZ3-CD1 3.04Å; W392-I396 HydrophobicContact CZ3-CG1 4.42Å; W392-I396 WeakPolarHBondContact O-CG1 3.11Å; W392-I396 PolarHBondContact O-N 3.13Å; F394-I396 PolarHBondContact O-N 3.39Å; I396-F398 VanDerWaalsContact C-N 3.27Å
397S72Confident73.5Confident53 Ų5395.6 Ų95.637%0.37148%0.477SS..Hα-helixtrans-71.2-29-179.1-52.40000111.4S393 F394S393-S397 WeakPolarHBondContact O-CB 3.35Å; S393-S397 PolarHBondContact O-N 3.36Å; S393-S397 PolarHBondContact O-OG 2.89Å; F394-S397 PolarHBondContact O-N 3.29Å; F394-S397 VanDerWaalsContact O-N 3.1Å
398F73.1Confident72.4Confident116 Ų11698.7 Ų98.751%0.50948%0.482SS..  trans-130.876.8-179.9-61.3-81.2000110.9F394 C395 I396 F400 V401F394-F398 AromaticContact CD2-CD2 3.78Å; F394-F398 HydrophobicContact CD2-CD2 3.78Å; F394-F398 HydrophobicContact CD2-CE2 4.16Å; F394-F398 AromaticContact CE2-CD2 3.53Å; F394-F398 HydrophobicContact CE2-CD2 3.53Å; F394-F398 AromaticContact CE2-CE2 3.84Å; F394-F398 HydrophobicContact CE2-CE2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.37Å; F394-F398 HydrophobicContact CG-CD2 4.4Å; F394-F398 HydrophobicContact CZ-CB 4.49Å; F394-F398 AromaticContact CZ-CD2 3.96Å; F394-F398 HydrophobicContact CZ-CD2 3.96Å; F394-F398 HydrophobicContact CZ-CG 4.38Å; F394-F398 PolarHBondContact O-N 3.19Å; C395-F398 CarbonylContact O-C 3.58Å; I396-F398 VanDerWaalsContact C-N 3.27Å; F398-F400 PolarHBondContact O-N 2.93Å; F398-F400 VanDerWaalsContact O-N 3.12Å; F398-V401 HydrophobicContact CB-CG2 4.35Å
399P62.4Low71.2Confident88 Ų8899.6 Ų99.657%0.57149%0.488SS*.THydrogen-bonded Turntrans-68-9.1-178.525.2-32.2000114.4C395C395-P399 WeakPolarHBondContact O-CA 3.42Å
400F56.8Low70.1Confident200 Ų200107.2 Ų107.288%0.87752%0.524SS*.THydrogen-bonded Turntrans-104.83.8-172.6-85.6-79.7000115.9F398 H402F398-F400 PolarHBondContact O-N 2.93Å; F398-F400 VanDerWaalsContact O-N 3.12Å; F400-H402 PolarHBondContact O-N 2.87Å
401V43.3Very low68.8Low108 Ų108110.1 Ų110.166%0.65554%0.536SS*.  trans-97.289.8173.9-171.30000108.2F398F398-V401 HydrophobicContact CB-CG2 4.35Å
402H37.9Very low67.2Low253 Ų253103.3 Ų103.3100%1.17152%0.521SS*.  trans-99.50166.9-100.9-55.7000110.4F400F400-H402 PolarHBondContact O-N 2.87Å

Retrieved 402 of 402 residues in 1689.1 ms (Link to these results)

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