A0A077ZLH4_TRITR Loading...

O-FucT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M91.3Very high90.1Very high23 Ų2341.2 Ų41.211%0.11318%0.182CC..  0144.80160.5171.7-158.900108.1V3 I28 K31 A32 L37 V40 F41 E97M1-V3 HydrophobicContact CE-CG1 3.76Å; M1-V3 HydrophobicContact CG-CG1 4.47Å; M1-I28 HydrophobicContact CE-CG2 4.45Å; M1-K31 HydrophobicContact CE-CB 3.65Å; M1-K31 HydrophobicContact SD-CB 4.32Å; M1-A32 HydrophobicContact SD-CB 4.07Å; M1-L37 HydrophobicContact CB-CD1 3.51Å; M1-V40 HydrophobicContact CG-CG1 4.32Å; M1-V40 HydrophobicContact CG-CG2 4.38Å; M1-V40 HydrophobicContact SD-CG2 4.31Å; M1-F41 PolarHBondContact O-N 3.34Å; M1-E97 WeakPolarHBondContact CE-O 3.49Å; M1-E97 WeakPolarHBondContact CG-O 3.4Å
2A94.6Very high89.6Confident1 Ų144 Ų441%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-122.3161.5169.200000109.8F41 C91 A94 S98 F100A2-F41 CarbonylContact C-O 3.58Å; A2-F41 VanDerWaalsContact CA-O 3.23Å; A2-F41 WeakPolarHBondContact CA-O 3.42Å; A2-F41 HydrophobicContact CB-CB 4.08Å; A2-F41 HydrophobicContact CB-CD1 4.13Å; A2-C91 HydrophobicContact CB-CB 4.36Å; A2-A94 HydrophobicContact CB-CB 3.46Å; A2-A94 VanDerWaalsContact CB-CB 3.46Å; A2-S98 WeakPolarHBondContact CA-OG 3.18Å; A2-S98 PolarHBondContact N-OG 2.92Å; A2-S98 WeakPolarHBondContact O-CA 3.13Å; A2-S98 WeakPolarHBondContact O-CB 3.21Å; A2-S98 PolarHBondContact O-OG 3.48Å; A2-F100 HydrophobicContact CB-CE1 4.43Å
3V94.2Very high89.2Confident0 Ų052.6 Ų52.60%025%0.245CC..EExtended strand (participates in β ladder)trans-140.3135.7174.1-60.40000108.1M1 I28 V40 F41 V42 A43 F122M1-V3 HydrophobicContact CE-CG1 3.76Å; M1-V3 HydrophobicContact CG-CG1 4.47Å; V3-I28 HydrophobicContact CB-CD1 4.38Å; V3-I28 HydrophobicContact CG1-CD1 4.07Å; V3-I28 HydrophobicContact CG1-CG1 3.9Å; V3-I28 HydrophobicContact CG1-CG2 4.47Å; V3-I28 HydrophobicContact CG2-CD1 3.95Å; V3-V40 HydrophobicContact CG1-CG1 3.97Å; V3-V40 HydrophobicContact CG2-CG1 4.07Å; V3-F41 PolarHBondContact N-O 2.96Å; V3-V42 HydrophobicContact CG2-CB 4.12Å; V3-V42 HydrophobicContact CG2-CG1 4.06Å; V3-V42 HydrophobicContact CG2-CG2 3.87Å; V3-A43 PolarHBondContact O-N 3.26Å; V3-F122 HydrophobicContact CB-CE2 4.46Å; V3-F122 HydrophobicContact CB-CZ 4.1Å; V3-F122 HydrophobicContact CG1-CZ 4.32Å
4H93.3Very high88.7Confident19 Ų1959.5 Ų59.59%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-111.7101.4172.5-174.3-148.1000109.1A43 T99 F100 T101 I104H4-A43 CarbonylContact C-O 3.48Å; H4-A43 WeakPolarHBondContact CA-O 3.41Å; H4-A43 HydrophobicContact CB-CB 4.45Å; H4-T99 PolarHBondContact N-O 3.32Å; H4-F100 HydrophobicContact CB-CD1 4.2Å; H4-T101 PolarHBondContact CE1-OG1 3.08Å; H4-T101 VanDerWaalsContact CE1-OG1 3.23Å; H4-T101 VanDerWaalsContact ND1-CG2 3.33Å; H4-T101 WeakPolarHBondContact ND1-CG2 3.39Å; H4-T101 PolarHBondContact ND1-OG1 2.95Å; H4-I104 HydrophobicContact CB-CD1 3.78Å; H4-I104 WeakPolarHBondContact ND1-CD1 3.19Å
5L92.9Very high88.1Confident3 Ų366.5 Ų66.52%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-104.6101.8-179-179.564.9000109.9R7 P19 I21 A24 A43 T44 L54 F122L5-R7 HydrophobicContact CG-CG 4.33Å; L5-P19 HydrophobicContact CD1-CG 3.73Å; L5-I21 HydrophobicContact CD2-CD1 4.15Å; L5-A24 HydrophobicContact CD1-CB 4.47Å; L5-A24 HydrophobicContact CD2-CB 4.11Å; L5-A43 PolarHBondContact N-O 2.79Å; L5-T44 VanDerWaalsContact O-CA 3.31Å; L5-T44 WeakPolarHBondContact O-CA 3.25Å; L5-T44 WeakPolarHBondContact O-CB 3.45Å; L5-T44 PolarHBondContact O-OG1 2.58Å; L5-L54 HydrophobicContact CD2-CD2 3.93Å; L5-F122 HydrophobicContact CB-CE2 4.08Å; L5-F122 HydrophobicContact CD1-CD2 3.85Å; L5-F122 HydrophobicContact CD1-CE2 3.9Å
6R91Very high87.8Confident67 Ų6770.6 Ų70.625%0.25332%0.317SS..  trans-75130.5171.8-69.4-78.7-62.5-175.64.5110.4D9 F10 D45 T101R6-D9 IonicContact CZ-OD1 3.75Å; R6-D9 IonicContact NH2-OD1 3.96Å; R6-D9 PolarHBondContact NH2-OD1 3.36Å; R6-D9 IonicContact NH2-OD2 2.77Å; R6-D9 PolarHBondContact NH2-OD2 3.41Å; R6-F10 HydrophobicContact CB-CB 4.16Å; R6-F10 HydrophobicContact CB-CD1 3.74Å; R6-F10 HydrophobicContact CB-CD2 3.84Å; R6-F10 HydrophobicContact CB-CE1 4.04Å; R6-F10 HydrophobicContact CB-CE2 4.17Å; R6-F10 HydrophobicContact CB-CG 3.64Å; R6-F10 HydrophobicContact CB-CZ 4.25Å; R6-F10 HydrophobicContact CG-CD1 4.42Å; R6-F10 HydrophobicContact CG-CD2 4.37Å; R6-F10 HydrophobicContact CG-CE1 4.22Å; R6-F10 HydrophobicContact CG-CE2 4.2Å; R6-F10 HydrophobicContact CG-CG 4.5Å; R6-F10 HydrophobicContact CG-CZ 4.11Å; R6-D45 WeakPolarHBondContact CA-OD1 3.48Å; R6-D45 IonicContact CZ-OD2 3.75Å; R6-T101 HydrophobicContact CG-CG2 3.64Å
7R91.5Very high87.5Confident19 Ų1972.8 Ų72.87%0.07233%0.332CS..  trans-116.2-99.1-179.8-59.1-58.5-63168.7-5.1110.3L5 D9 F10 V11 P19 D45 E50L5-R7 HydrophobicContact CG-CG 4.33Å; R7-D9 PolarHBondContact O-N 3.02Å; R7-F10 CarbonylContact O-C 3.55Å; R7-F10 WeakPolarHBondContact O-CA 3.29Å; R7-F10 VanDerWaalsContact O-CB 3.26Å; R7-F10 WeakPolarHBondContact O-CB 3.04Å; R7-F10 PolarHBondContact O-N 2.92Å; R7-V11 HydrophobicContact CB-CG2 4.22Å; R7-V11 VanDerWaalsContact CZ-CG2 3.45Å; R7-V11 WeakPolarHBondContact O-CG2 3.39Å; R7-V11 PolarHBondContact O-N 3.27Å; R7-P19 PolarHBondContact NH1-O 2.91Å; R7-D45 PolarHBondContact N-OD1 2.75Å; R7-E50 IonicContact CZ-OE1 2.76Å; R7-E50 IonicContact NE-OE1 3.69Å; R7-E50 PolarHBondContact NE-OE1 3.17Å; R7-E50 IonicContact NE-OE2 2.8Å; R7-E50 IonicContact NH2-OE1 3.2Å; R7-E50 PolarHBondContact NH2-OE1 3.45Å
8R89Confident87.6Confident164 Ų16469.2 Ų69.262%0.61932%0.316SS*.Hα-helixtrans7.8-106.9177.2-59.9-175.5-178.3-175.3-1.8115.8F10 V11 D45R8-F10 PolarHBondContact O-N 2.95Å; R8-V11 PolarHBondContact O-N 3.2Å; R8-D45 WeakPolarHBondContact CB-OD2 3.31Å; R8-D45 WeakPolarHBondContact CD-OD2 3.22Å; R8-D45 HydrophobicContact CG-CB 4.33Å; R8-D45 WeakPolarHBondContact CG-O 3.46Å; R8-D45 WeakPolarHBondContact CG-OD2 3.49Å; R8-D45 PolarHBondContact NE-O 3.42Å
9D85.3Confident87.8Confident67 Ų6765.8 Ų65.836%0.35830%0.301SS..Hα-helixtrans-67.4-22.8-176.862.6-53.9000113.2R6 R7 T12 H13R6-D9 IonicContact CZ-OD1 3.75Å; R6-D9 IonicContact NH2-OD1 3.96Å; R6-D9 PolarHBondContact NH2-OD1 3.36Å; R6-D9 IonicContact NH2-OD2 2.77Å; R6-D9 PolarHBondContact NH2-OD2 3.41Å; R7-D9 PolarHBondContact O-N 3.02Å; D9-T12 WeakPolarHBondContact CA-OG1 3.41Å; D9-T12 PolarHBondContact O-N 3.29Å; D9-T12 PolarHBondContact O-OG1 3.5Å; D9-H13 WeakPolarHBondContact O-CB 2.98Å; D9-H13 PolarHBondContact O-N 3.48Å; D9-H13 PolarHBondContact O-ND1 2.77Å
10F83.6Confident88.1Confident45 Ų4565.4 Ų65.420%0.19730%0.304CS..Hα-helixtrans-71.2-39.5176.1-81.4-121.2000111.2R6 R7 R8 T12 R14 R15 T18R6-F10 HydrophobicContact CB-CB 4.16Å; R6-F10 HydrophobicContact CB-CD1 3.74Å; R6-F10 HydrophobicContact CB-CD2 3.84Å; R6-F10 HydrophobicContact CB-CE1 4.04Å; R6-F10 HydrophobicContact CB-CE2 4.17Å; R6-F10 HydrophobicContact CB-CG 3.64Å; R6-F10 HydrophobicContact CB-CZ 4.25Å; R6-F10 HydrophobicContact CG-CD1 4.42Å; R6-F10 HydrophobicContact CG-CD2 4.37Å; R6-F10 HydrophobicContact CG-CE1 4.22Å; R6-F10 HydrophobicContact CG-CE2 4.2Å; R6-F10 HydrophobicContact CG-CG 4.5Å; R6-F10 HydrophobicContact CG-CZ 4.11Å; R7-F10 CarbonylContact O-C 3.55Å; R7-F10 WeakPolarHBondContact O-CA 3.29Å; R7-F10 VanDerWaalsContact O-CB 3.26Å; R7-F10 WeakPolarHBondContact O-CB 3.04Å; R7-F10 PolarHBondContact O-N 2.92Å; R8-F10 PolarHBondContact O-N 2.95Å; F10-T12 PolarHBondContact O-N 2.99Å; F10-R14 CarbonylContact O-C 3.07Å; F10-R14 WeakPolarHBondContact O-CA 3.47Å; F10-R14 WeakPolarHBondContact O-CB 2.97Å; F10-R14 PolarHBondContact O-N 3.27Å; F10-R15 PolarHBondContact O-N 3.25Å; F10-T18 PolarHBondContact O-OG1 3.07Å
11V84.2Confident88.5Confident45 Ų4563.5 Ų63.527%0.27330%0.296SS..Hα-helixtrans-69.1-18.8175.3175.90000111.3R7 R8 R15 T18R7-V11 HydrophobicContact CB-CG2 4.22Å; R7-V11 VanDerWaalsContact CZ-CG2 3.45Å; R7-V11 WeakPolarHBondContact O-CG2 3.39Å; R7-V11 PolarHBondContact O-N 3.27Å; R8-V11 PolarHBondContact O-N 3.2Å; V11-R15 WeakPolarHBondContact O-CG 3.47Å; V11-R15 PolarHBondContact O-NE 2.99Å; V11-T18 HydrophobicContact CG2-CG2 3.94Å
12T84.1Confident88.6Confident75 Ų7570.1 Ų70.146%0.4633%0.326SS..Hα-helixtrans-92.9-47.1173.757.70000112.3D9 F10D9-T12 WeakPolarHBondContact CA-OG1 3.41Å; D9-T12 PolarHBondContact O-N 3.29Å; D9-T12 PolarHBondContact O-OG1 3.5Å; F10-T12 PolarHBondContact O-N 2.99Å
13H84.7Confident88.6Confident156 Ų15671.2 Ų71.272%0.72233%0.334SS*.Hα-helixtrans-99.2-16.5-171-57.896.6000114.5D9D9-H13 WeakPolarHBondContact O-CB 2.98Å; D9-H13 PolarHBondContact O-N 3.48Å; D9-H13 PolarHBondContact O-ND1 2.77Å
14R82.7Confident88.6Confident149 Ų14971.2 Ų71.256%0.56233%0.334SS*.  trans-130.137.3-177.6-59.8-172.7179.7-145.8-0.1111.3F10 N16 N17 T18F10-R14 CarbonylContact O-C 3.07Å; F10-R14 WeakPolarHBondContact O-CA 3.47Å; F10-R14 WeakPolarHBondContact O-CB 2.97Å; F10-R14 PolarHBondContact O-N 3.27Å; R14-N16 VanDerWaalsContact C-N 3.29Å; R14-N16 PolarHBondContact O-N 3.44Å; R14-N17 CarbonylContact O-C 3.48Å; R14-N17 PolarHBondContact O-N 3.02Å; R14-T18 WeakPolarHBondContact O-CB 3.18Å; R14-T18 PolarHBondContact O-N 3.32Å; R14-T18 PolarHBondContact O-OG1 3.33Å
15R78.9Confident88.7Confident165 Ų16571 Ų7162%0.62333%0.334SS*.G310 helixtrans-47.1-49.6-176.8-79.8-178.1178.8-170.65.4113.2F10 V11 N17 T18F10-R15 PolarHBondContact O-N 3.25Å; V11-R15 WeakPolarHBondContact O-CG 3.47Å; V11-R15 PolarHBondContact O-NE 2.99Å; R15-N17 PolarHBondContact O-N 3.42Å; R15-T18 PolarHBondContact O-N 3.17Å
16N82.9Confident88.8Confident131 Ų13174.4 Ų74.470%0.70136%0.358SS*.G310 helixtrans-67.3-25.9-176.5-64.7-5.9000112.6R14 G124R14-N16 VanDerWaalsContact C-N 3.29Å; R14-N16 PolarHBondContact O-N 3.44Å; N16-G124 WeakPolarHBondContact O-CA 3.21Å
17N83.8Confident88.9Confident109 Ų10972.8 Ų72.858%0.58335%0.353SS*.G310 helixtrans-102.95.5-177.2-60.3-3.6000112.5R14 R15R14-N17 CarbonylContact O-C 3.48Å; R14-N17 PolarHBondContact O-N 3.02Å; R15-N17 PolarHBondContact O-N 3.42Å
18T88.4Confident89.1Confident8 Ų872 Ų725%0.04935%0.35CS..SBendtrans-111.8122.3179-51.70000108.3F10 V11 R14 R15 T125F10-T18 PolarHBondContact O-OG1 3.07Å; V11-T18 HydrophobicContact CG2-CG2 3.94Å; R14-T18 WeakPolarHBondContact O-CB 3.18Å; R14-T18 PolarHBondContact O-N 3.32Å; R14-T18 PolarHBondContact O-OG1 3.33Å; R15-T18 PolarHBondContact O-N 3.17Å; T18-T125 PolarHBondContact O-OG1 2.93Å; T18-T125 VanDerWaalsContact O-OG1 3.12Å
19P91.8Very high89.3Confident4 Ų465.4 Ų65.43%0.02633%0.331CS..  trans-65.3153.9179.329.1-38.1000110.8L5 R7 A24 F122 C123L5-P19 HydrophobicContact CD1-CG 3.73Å; R7-P19 PolarHBondContact NH1-O 2.91Å; P19-A24 HydrophobicContact CB-CB 4.29Å; P19-A24 HydrophobicContact CG-CB 4.13Å; P19-F122 HydrophobicContact CB-CB 4.48Å; P19-F122 HydrophobicContact CG-CB 3.67Å; P19-F122 HydrophobicContact CG-CD1 4.16Å; P19-F122 HydrophobicContact CG-CD2 4.31Å; P19-F122 HydrophobicContact CG-CG 3.79Å; P19-C123 WeakPolarHBondContact CB-O 3.31Å
20T93.8Very high89.7Confident57 Ų5766 Ų6635%0.3534%0.337SS..  trans-66.4163.7160.464.30000110.3Q22 S23 A24 T125T20-Q22 VanDerWaalsContact C-N 3.25Å; T20-Q22 PolarHBondContact O-N 3.11Å; T20-S23 PolarHBondContact O-N 2.91Å; T20-S23 WeakPolarHBondContact OG1-CB 3.2Å; T20-S23 PolarHBondContact OG1-N 3.45Å; T20-S23 VanDerWaalsContact OG1-N 3.07Å; T20-A24 WeakPolarHBondContact O-CB 3.33Å; T20-A24 PolarHBondContact O-N 3.2Å; T20-T125 HydrophobicContact CG2-CG2 3.84Å; T20-T125 PolarHBondContact N-OG1 3.19Å
21I95.6Very high90Very high27 Ų2766.7 Ų66.714%0.13834%0.34CS..Hα-helixtrans-57.7-41.9175-61.3-58.5000111.1L5 A24 V25 E50 L54L5-I21 HydrophobicContact CD2-CD1 4.15Å; I21-A24 PolarHBondContact O-N 3.42Å; I21-V25 VanDerWaalsContact O-CG2 3.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 3.26Å; I21-E50 HydrophobicContact CD1-CB 4.04Å; I21-E50 HydrophobicContact CD1-CG 4.41Å; I21-E50 HydrophobicContact CG1-CB 4.38Å; I21-E50 HydrophobicContact CG1-CG 4.44Å; I21-L54 HydrophobicContact CG2-CB 3.88Å; I21-L54 HydrophobicContact CG2-CD1 4.36Å
22Q94.9Very high90.4Very high162 Ų16264.6 Ų64.676%0.75733%0.327SS*.Hα-helixtrans-63.3-43.6176.5-174.2-178.93.500112.4T20 V25 S26T20-Q22 VanDerWaalsContact C-N 3.25Å; T20-Q22 PolarHBondContact O-N 3.11Å; Q22-V25 PolarHBondContact O-N 3.11Å; Q22-S26 PolarHBondContact O-N 3.13Å; Q22-S26 VanDerWaalsContact O-N 3.08Å
23S93.8Very high90.8Very high24 Ų2469.1 Ų69.117%0.16834%0.34CS..Hα-helixtrans-64.1-41.8176.1-179.90000111.2T20 V25 S26 Q27T20-S23 PolarHBondContact O-N 2.91Å; T20-S23 WeakPolarHBondContact OG1-CB 3.2Å; T20-S23 PolarHBondContact OG1-N 3.45Å; T20-S23 VanDerWaalsContact OG1-N 3.07Å; S23-V25 PolarHBondContact O-N 2.86Å; S23-S26 PolarHBondContact O-N 3.18Å; S23-Q27 WeakPolarHBondContact O-CG 3.46Å; S23-Q27 PolarHBondContact O-N 3.09Å; S23-Q27 PolarHBondContact OG-NE2 3.42Å
24A94.4Very high91.1Very high0 Ų067 Ų670%033%0.334CS..Hα-helixtrans-59.4-47.6174.800000111.3L5 P19 T20 I21 S26 Q27 I28 L54 F122L5-A24 HydrophobicContact CD1-CB 4.47Å; L5-A24 HydrophobicContact CD2-CB 4.11Å; P19-A24 HydrophobicContact CB-CB 4.29Å; P19-A24 HydrophobicContact CG-CB 4.13Å; T20-A24 WeakPolarHBondContact O-CB 3.33Å; T20-A24 PolarHBondContact O-N 3.2Å; I21-A24 PolarHBondContact O-N 3.42Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 2.92Å; A24-Q27 PolarHBondContact O-N 3.26Å; A24-I28 WeakPolarHBondContact O-CB 3.29Å; A24-I28 WeakPolarHBondContact O-CD1 3.47Å; A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 3.29Å; A24-L54 HydrophobicContact CB-CD1 4.5Å; A24-F122 HydrophobicContact CB-CE1 4.24Å
25V96.2Very high91.3Very high15 Ų1562.3 Ų62.39%0.09132%0.32CS..Hα-helixtrans-54.9-47.5175.9170.90000111.4I21 Q22 S23 I28 A29 L54 L58 V61I21-V25 VanDerWaalsContact O-CG2 3.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 3.26Å; Q22-V25 PolarHBondContact O-N 3.11Å; S23-V25 PolarHBondContact O-N 2.86Å; V25-I28 PolarHBondContact O-N 2.9Å; V25-A29 WeakPolarHBondContact O-CB 3.38Å; V25-A29 PolarHBondContact O-N 3.47Å; V25-L54 HydrophobicContact CG2-CD1 3.69Å; V25-L58 HydrophobicContact CG1-CD2 4.42Å; V25-L58 HydrophobicContact CG2-CG 4.4Å; V25-V61 HydrophobicContact CG1-CG1 4.34Å; V25-V61 HydrophobicContact CG1-CG2 4.34Å
26S94.6Very high92Very high73 Ų7359.9 Ų59.951%0.5133%0.329SS..Hα-helixtrans-61.5-49.4179.7-174.70000112.1Q22 S23 A24 I28 A29 V30Q22-S26 PolarHBondContact O-N 3.13Å; Q22-S26 VanDerWaalsContact O-N 3.08Å; S23-S26 PolarHBondContact O-N 3.18Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 2.92Å; S26-I28 VanDerWaalsContact C-N 3.33Å; S26-I28 PolarHBondContact O-N 3.03Å; S26-A29 WeakPolarHBondContact O-CB 3.47Å; S26-A29 PolarHBondContact O-N 3.44Å; S26-V30 WeakPolarHBondContact O-CG2 3.32Å; S26-V30 PolarHBondContact O-N 3.27Å
27Q93.4Very high92.4Very high34 Ų3456.3 Ų56.316%0.15931%0.309CS..Hα-helixtrans-62-41179.2-70-178.955.200111.8S23 A24 K31 F122 C123S23-Q27 WeakPolarHBondContact O-CG 3.46Å; S23-Q27 PolarHBondContact O-N 3.09Å; S23-Q27 PolarHBondContact OG-NE2 3.42Å; A24-Q27 PolarHBondContact O-N 3.26Å; Q27-K31 WeakPolarHBondContact O-CB 3.22Å; Q27-K31 WeakPolarHBondContact O-CG 3.34Å; Q27-K31 PolarHBondContact O-N 3.37Å; Q27-K31 VanDerWaalsContact O-N 3.08Å; Q27-F122 HydrophobicContact CB-CD1 4.21Å; Q27-F122 HydrophobicContact CB-CE1 4.3Å; Q27-C123 PolarHBondContact NE2-O 3.49Å
28I94.4Very high93Very high1 Ų155.5 Ų55.51%0.00531%0.305CS..Hα-helixtrans-63.6-43.6175.7-64.7169.2000110.6M1 V3 A24 V25 S26 V30 K31 A32 V40 L54 L58 L63 F122M1-I28 HydrophobicContact CE-CG2 4.45Å; V3-I28 HydrophobicContact CB-CD1 4.38Å; V3-I28 HydrophobicContact CG1-CD1 4.07Å; V3-I28 HydrophobicContact CG1-CG1 3.9Å; V3-I28 HydrophobicContact CG1-CG2 4.47Å; V3-I28 HydrophobicContact CG2-CD1 3.95Å; A24-I28 WeakPolarHBondContact O-CB 3.29Å; A24-I28 WeakPolarHBondContact O-CD1 3.47Å; A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 3.29Å; V25-I28 PolarHBondContact O-N 2.9Å; S26-I28 VanDerWaalsContact C-N 3.33Å; S26-I28 PolarHBondContact O-N 3.03Å; I28-V30 PolarHBondContact O-N 3.25Å; I28-K31 PolarHBondContact O-N 2.93Å; I28-A32 WeakPolarHBondContact O-CB 3.24Å; I28-A32 PolarHBondContact O-N 3.39Å; I28-V40 HydrophobicContact CG2-CB 4.48Å; I28-V40 HydrophobicContact CG2-CG1 3.93Å; I28-V40 HydrophobicContact CG2-CG2 3.98Å; I28-L54 HydrophobicContact CD1-CD1 4.29Å; I28-L58 HydrophobicContact CB-CD2 3.87Å; I28-L58 HydrophobicContact CD1-CD1 4.48Å; I28-L58 HydrophobicContact CD1-CD2 4.12Å; I28-L58 HydrophobicContact CG2-CD2 3.55Å; I28-L63 HydrophobicContact CG2-CD1 3.94Å; I28-F122 HydrophobicContact CD1-CE1 4.27Å; I28-F122 HydrophobicContact CD1-CZ 4.02Å; I28-F122 HydrophobicContact CG1-CE1 3.82Å; I28-F122 HydrophobicContact CG1-CZ 3.92Å
29A94.4Very high93.3Very high26 Ų2658.1 Ų58.122%0.21532%0.321CS..Hα-helixtrans-60.6-45.9179.800000112.2V25 S26 A32 K33 V61V25-A29 WeakPolarHBondContact O-CB 3.38Å; V25-A29 PolarHBondContact O-N 3.47Å; S26-A29 WeakPolarHBondContact O-CB 3.47Å; S26-A29 PolarHBondContact O-N 3.44Å; A29-A32 PolarHBondContact O-N 3.32Å; A29-K33 WeakPolarHBondContact O-CB 3.08Å; A29-K33 PolarHBondContact O-N 2.86Å; A29-V61 HydrophobicContact CB-CB 4.35Å; A29-V61 HydrophobicContact CB-CG2 3.98Å
30V92.6Very high93.5Very high79 Ų7957.9 Ų57.948%0.47932%0.319SS..Hα-helixtrans-60.8-49.3176.9172.90000110.6S26 I28 K33 N34S26-V30 WeakPolarHBondContact O-CG2 3.32Å; S26-V30 PolarHBondContact O-N 3.27Å; I28-V30 PolarHBondContact O-N 3.25Å; V30-K33 PolarHBondContact O-N 2.72Å; V30-N34 VanDerWaalsContact O-CG 3.23Å; V30-N34 PolarHBondContact O-N 2.79Å; V30-N34 PolarHBondContact O-OD1 3.08Å
31K90.4Very high93.6Very high61 Ų6156.5 Ų56.527%0.26531%0.308SS..Hα-helixtrans-64.6-42.7-179.8-75-72.4-168.8173.80112.5M1 Q27 I28 K33 N34 N35 E97 N120M1-K31 HydrophobicContact CE-CB 3.65Å; M1-K31 HydrophobicContact SD-CB 4.32Å; Q27-K31 WeakPolarHBondContact O-CB 3.22Å; Q27-K31 WeakPolarHBondContact O-CG 3.34Å; Q27-K31 PolarHBondContact O-N 3.37Å; Q27-K31 VanDerWaalsContact O-N 3.08Å; I28-K31 PolarHBondContact O-N 2.93Å; K31-K33 PolarHBondContact O-N 3.18Å; K31-N34 PolarHBondContact O-N 3.41Å; K31-N35 PolarHBondContact O-N 3.26Å; K31-N35 VanDerWaalsContact O-N 3.15Å; K31-N35 PolarHBondContact O-ND2 2.92Å; K31-E97 WeakPolarHBondContact CD-OE2 3.5Å; K31-E97 VanDerWaalsContact NZ-CD 3.34Å; K31-E97 IonicContact NZ-OE1 3.39Å; K31-E97 PolarHBondContact NZ-OE1 2.91Å; K31-E97 IonicContact NZ-OE2 3.99Å; K31-E97 PolarHBondContact NZ-OE2 3.36Å; K31-N120 PolarHBondContact NZ-OD1 3.45Å
32A92.7Very high93.7Very high0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-62-42.9176.900000111.7M1 I28 A29 N35 S36 L37 V40 L63M1-A32 HydrophobicContact SD-CB 4.07Å; I28-A32 WeakPolarHBondContact O-CB 3.24Å; I28-A32 PolarHBondContact O-N 3.39Å; A29-A32 PolarHBondContact O-N 3.32Å; A32-N35 CarbonylContact O-C 3.49Å; A32-N35 PolarHBondContact O-N 2.92Å; A32-S36 PolarHBondContact O-N 3.13Å; A32-S36 VanDerWaalsContact O-N 3.09Å; A32-L37 PolarHBondContact O-N 3.12Å; A32-V40 HydrophobicContact CB-CG2 4.37Å; A32-L63 HydrophobicContact CB-CD1 3.92Å; A32-L63 HydrophobicContact CB-CD2 3.65Å; A32-L63 HydrophobicContact CB-CG 4.45Å
33K92.4Very high93.7Very high170 Ų17047.5 Ų47.574%0.73927%0.266SS*.Hα-helixtrans-61.5-47.7175.2-176.4-178.3178.2-176.40112.1A29 V30 K31 N35 S36A29-K33 WeakPolarHBondContact O-CB 3.08Å; A29-K33 PolarHBondContact O-N 2.86Å; V30-K33 PolarHBondContact O-N 2.72Å; K31-K33 PolarHBondContact O-N 3.18Å; K33-N35 PolarHBondContact O-N 3.47Å; K33-S36 PolarHBondContact O-N 3.06Å
34N90.5Very high93.7Very high113 Ų11346.7 Ų46.760%0.60426%0.26SS*.Hα-helixtrans-60.2-29179.4-69.8-8.4000112.5V30 K31V30-N34 VanDerWaalsContact O-CG 3.23Å; V30-N34 PolarHBondContact O-N 2.79Å; V30-N34 PolarHBondContact O-OD1 3.08Å; K31-N34 PolarHBondContact O-N 3.41Å
35N88Confident93.6Very high49 Ų4948 Ų4826%0.26227%0.267SS..THydrogen-bonded Turntrans-96.54.5178.6-72.2-93000113.5K31 A32 K33 L37 S96 E97K31-N35 PolarHBondContact O-N 3.26Å; K31-N35 VanDerWaalsContact O-N 3.15Å; K31-N35 PolarHBondContact O-ND2 2.92Å; A32-N35 CarbonylContact O-C 3.49Å; A32-N35 PolarHBondContact O-N 2.92Å; K33-N35 PolarHBondContact O-N 3.47Å; N35-L37 VanDerWaalsContact C-N 3.28Å; N35-L37 HydrophobicContact CB-CD1 3.99Å; N35-L37 HydrophobicContact CB-CG 4.09Å; N35-L37 PolarHBondContact O-N 3.47Å; N35-S96 WeakPolarHBondContact CB-OG 3.23Å; N35-S96 VanDerWaalsContact CG-OG 3.22Å; N35-S96 PolarHBondContact OD1-OG 2.73Å; N35-E97 PolarHBondContact ND2-OE2 2.91Å
36S92.2Very high93.5Very high115 Ų11547.7 Ų47.780%0.80427%0.267SS*.THydrogen-bonded Turntrans53.142.4-175.6-58.50000113.5A32 K33A32-S36 PolarHBondContact O-N 3.13Å; A32-S36 VanDerWaalsContact O-N 3.09Å; K33-S36 PolarHBondContact O-N 3.06Å
37L92.6Very high93.5Very high55 Ų5546.6 Ų46.629%0.28826%0.259SS..  trans-114.2143-179.4-66.5176.4000111.9M1 A32 N35 S96M1-L37 HydrophobicContact CB-CD1 3.51Å; A32-L37 PolarHBondContact O-N 3.12Å; N35-L37 VanDerWaalsContact C-N 3.28Å; N35-L37 HydrophobicContact CB-CD1 3.99Å; N35-L37 HydrophobicContact CB-CG 4.09Å; N35-L37 PolarHBondContact O-N 3.47Å; L37-S96 VanDerWaalsContact CD1-OG 3.22Å; L37-S96 WeakPolarHBondContact CD1-OG 3.03Å
38N95.3Very high93.6Very high92 Ų9255.2 Ų55.249%0.49229%0.29SS..  trans-110.7-26173.659.4-8.4000112.8L63 I64N38-L63 CarbonylContact O-C 3.53Å; N38-L63 WeakPolarHBondContact O-CA 3.17Å; N38-I64 PolarHBondContact O-N 3.16Å
39V96.2Very high93.8Very high63 Ų6361 Ų6138%0.38232%0.317SS..EExtended strand (participates in β ladder)trans-95.2126179.6-1770000111I64 K66V39-I64 HydrophobicContact CG2-CB 4.23Å; V39-I64 HydrophobicContact CG2-CD1 4.3Å; V39-K66 HydrophobicContact CG1-CG 3.93Å
40V95.2Very high93.9Very high0 Ų062 Ų620%032%0.317CS..EExtended strand (participates in β ladder)trans-123.8118.1177.5-178.50000109.7M1 V3 I28 A32 V42 L63 I64 P65 K66M1-V40 HydrophobicContact CG-CG1 4.32Å; M1-V40 HydrophobicContact CG-CG2 4.38Å; M1-V40 HydrophobicContact SD-CG2 4.31Å; V3-V40 HydrophobicContact CG1-CG1 3.97Å; V3-V40 HydrophobicContact CG2-CG1 4.07Å; I28-V40 HydrophobicContact CG2-CB 4.48Å; I28-V40 HydrophobicContact CG2-CG1 3.93Å; I28-V40 HydrophobicContact CG2-CG2 3.98Å; A32-V40 HydrophobicContact CB-CG2 4.37Å; V40-V42 HydrophobicContact CG1-CG2 4.21Å; V40-L63 HydrophobicContact CG2-CD1 4.04Å; V40-I64 PolarHBondContact N-O 3.09Å; V40-I64 VanDerWaalsContact N-O 3.09Å; V40-P65 CarbonylContact O-C 3.37Å; V40-P65 WeakPolarHBondContact O-CA 3.5Å; V40-K66 PolarHBondContact O-N 3.19Å
41F96.6Very high94.1Very high27 Ų2759.9 Ų59.912%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-79.3133167.7-179.7-95.7000110.1M1 A2 V3 A43 K66 F68 D87 I90M1-F41 PolarHBondContact O-N 3.34Å; A2-F41 CarbonylContact C-O 3.58Å; A2-F41 VanDerWaalsContact CA-O 3.23Å; A2-F41 WeakPolarHBondContact CA-O 3.42Å; A2-F41 HydrophobicContact CB-CB 4.08Å; A2-F41 HydrophobicContact CB-CD1 4.13Å; V3-F41 PolarHBondContact N-O 2.96Å; F41-A43 HydrophobicContact CE1-CB 4.01Å; F41-K66 CarbonylContact C-O 3.59Å; F41-K66 WeakPolarHBondContact CA-O 3.48Å; F41-F68 HydrophobicContact CE2-CB 4.08Å; F41-F68 VanDerWaalsContact CE2-N 3.34Å; F41-F68 HydrophobicContact CZ-CB 4.06Å; F41-D87 WeakPolarHBondContact CZ-OD1 3.37Å; F41-I90 HydrophobicContact CD1-CB 4.31Å; F41-I90 HydrophobicContact CD1-CG2 3.57Å; F41-I90 HydrophobicContact CD2-CG2 3.79Å; F41-I90 HydrophobicContact CE1-CB 3.8Å; F41-I90 HydrophobicContact CE1-CD1 4.37Å; F41-I90 HydrophobicContact CE1-CG2 3.52Å; F41-I90 HydrophobicContact CE2-CB 4.41Å; F41-I90 HydrophobicContact CE2-CD1 3.84Å; F41-I90 HydrophobicContact CE2-CG2 3.74Å; F41-I90 HydrophobicContact CG-CG2 3.7Å; F41-I90 HydrophobicContact CZ-CB 3.87Å; F41-I90 HydrophobicContact CZ-CD1 3.57Å; F41-I90 HydrophobicContact CZ-CG1 4.33Å; F41-I90 HydrophobicContact CZ-CG2 3.62Å
42V96.2Very high94.5Very high0 Ų065.4 Ų65.40%032%0.322CS..EExtended strand (participates in β ladder)trans-119.2107.4-176.3-176.50000109.6V3 V40 T44 L54 F55 L58 P65 K66 R67V3-V42 HydrophobicContact CG2-CB 4.12Å; V3-V42 HydrophobicContact CG2-CG1 4.06Å; V3-V42 HydrophobicContact CG2-CG2 3.87Å; V40-V42 HydrophobicContact CG1-CG2 4.21Å; V42-T44 HydrophobicContact CG1-CG2 4.01Å; V42-L54 HydrophobicContact CG1-CD2 3.6Å; V42-F55 HydrophobicContact CB-CE2 3.97Å; V42-F55 HydrophobicContact CB-CZ 4.39Å; V42-F55 HydrophobicContact CG1-CE2 4.2Å; V42-F55 HydrophobicContact CG2-CE2 4.13Å; V42-L58 HydrophobicContact CG2-CD1 3.94Å; V42-P65 HydrophobicContact CG2-CB 4.4Å; V42-K66 PolarHBondContact N-O 3.29Å; V42-R67 WeakPolarHBondContact O-CB 3.45Å; V42-R67 WeakPolarHBondContact O-CG 3.16Å
43A95Very high94.8Very high0 Ų068.8 Ų68.80%035%0.346CS..EExtended strand (participates in β ladder)trans-92.5121164.900000109V3 H4 L5 F41 D87V3-A43 PolarHBondContact O-N 3.26Å; H4-A43 CarbonylContact C-O 3.48Å; H4-A43 WeakPolarHBondContact CA-O 3.41Å; H4-A43 HydrophobicContact CB-CB 4.45Å; L5-A43 PolarHBondContact N-O 2.79Å; F41-A43 HydrophobicContact CE1-CB 4.01Å; A43-D87 HydrophobicContact CB-CB 3.77Å
44T94.3Very high95.1Very high7 Ų760.7 Ų60.74%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-157.8142.9177.5-175.90000112L5 V42 G46 I51 R67L5-T44 VanDerWaalsContact O-CA 3.31Å; L5-T44 WeakPolarHBondContact O-CA 3.25Å; L5-T44 WeakPolarHBondContact O-CB 3.45Å; L5-T44 PolarHBondContact O-OG1 2.58Å; V42-T44 HydrophobicContact CG1-CG2 4.01Å; T44-G46 VanDerWaalsContact C-N 3.33Å; T44-G46 PolarHBondContact OG1-N 2.86Å; T44-I51 HydrophobicContact CG2-CG1 3.84Å; T44-R67 VanDerWaalsContact CG2-NH1 3.29Å; T44-R67 PolarHBondContact O-NH1 2.99Å; T44-R67 PolarHBondContact O-NH2 3.23Å
45D93Very high95.4Very high28 Ų2857 Ų5715%0.1529%0.289CS..  trans-9410.9173.266.3-26.8000113.1R6 R7 R8R6-D45 WeakPolarHBondContact CA-OD1 3.48Å; R6-D45 IonicContact CZ-OD2 3.75Å; R7-D45 PolarHBondContact N-OD1 2.75Å; R8-D45 WeakPolarHBondContact CB-OD2 3.31Å; R8-D45 WeakPolarHBondContact CD-OD2 3.22Å; R8-D45 HydrophobicContact CG-CB 4.33Å; R8-D45 WeakPolarHBondContact CG-O 3.46Å; R8-D45 WeakPolarHBondContact CG-OD2 3.49Å; R8-D45 PolarHBondContact NE-O 3.42Å
46G93.7Very high95.9Very high9 Ų957.7 Ų57.79%0.09329%0.293CS..  trans-59.1163176.500000114.4T44 E50 I51T44-G46 VanDerWaalsContact C-N 3.33Å; T44-G46 PolarHBondContact OG1-N 2.86Å; G46-E50 WeakPolarHBondContact CA-OE2 3.43Å; G46-I51 WeakPolarHBondContact O-CD1 3.38Å
47S94.8Very high96.2Very high49 Ų4953 Ų5334%0.34326%0.263SS..  trans-64.8166.3176.4910000111.8E49 E50 I51S47-E49 VanDerWaalsContact CB-OE2 3.3Å; S47-E49 WeakPolarHBondContact CB-OE2 3.5Å; S47-E49 PolarHBondContact O-N 3.23Å; S47-E49 PolarHBondContact OG-N 2.77Å; S47-E49 PolarHBondContact OG-OE2 3.02Å; S47-E50 PolarHBondContact N-OE2 3.08Å; S47-E50 PolarHBondContact O-N 3.14Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-I51 WeakPolarHBondContact O-CD1 3.42Å; S47-I51 WeakPolarHBondContact O-CG1 2.84Å; S47-I51 PolarHBondContact O-N 3.13Å
48R95.6Very high96.5Very high215 Ų21550.3 Ų50.381%0.81125%0.249SC*.Hα-helixtrans-58.2-37.1176.6-78-175.2-88.1-175.3-7.1111.8R52R48-R52 WeakPolarHBondContact O-CB 3.47Å; R48-R52 PolarHBondContact O-N 2.92Å
49E97.5Very high96.7Very high122 Ų12251.4 Ų51.457%0.5725%0.249SC*.Hα-helixtrans-68.9-46.4178.2-5767.9-143.700110.4S47 I51 R52 S53S47-E49 VanDerWaalsContact CB-OE2 3.3Å; S47-E49 WeakPolarHBondContact CB-OE2 3.5Å; S47-E49 PolarHBondContact O-N 3.23Å; S47-E49 PolarHBondContact OG-N 2.77Å; S47-E49 PolarHBondContact OG-OE2 3.02Å; E49-I51 PolarHBondContact O-N 3.01Å; E49-R52 PolarHBondContact O-N 3.15Å; E49-S53 WeakPolarHBondContact O-CB 3.35Å; E49-S53 PolarHBondContact O-N 3.44Å; E49-S53 PolarHBondContact O-OG 2.98Å
50E97Very high96.8Very high47 Ų4755.7 Ų55.722%0.2227%0.269CS..Hα-helixtrans-60.8-43.5175.7-69.6-176.6117.200112.1R7 I21 G46 S47 S53 L54R7-E50 IonicContact CZ-OE1 2.76Å; R7-E50 IonicContact NE-OE1 3.69Å; R7-E50 PolarHBondContact NE-OE1 3.17Å; R7-E50 IonicContact NE-OE2 2.8Å; R7-E50 IonicContact NH2-OE1 3.2Å; R7-E50 PolarHBondContact NH2-OE1 3.45Å; I21-E50 HydrophobicContact CD1-CB 4.04Å; I21-E50 HydrophobicContact CD1-CG 4.41Å; I21-E50 HydrophobicContact CG1-CB 4.38Å; I21-E50 HydrophobicContact CG1-CG 4.44Å; G46-E50 WeakPolarHBondContact CA-OE2 3.43Å; S47-E50 PolarHBondContact N-OE2 3.08Å; S47-E50 PolarHBondContact O-N 3.14Å; S47-E50 PolarHBondContact OG-N 3.46Å; E50-S53 PolarHBondContact O-N 3.23Å; E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.23Å; E50-L54 PolarHBondContact O-N 2.96Å
51I97.7Very high96.9Very high36 Ų3659.4 Ų59.419%0.18529%0.292CS..Hα-helixtrans-61.6-46.2176.4-66158.7000110.1T44 G46 S47 E49 L54 F55T44-I51 HydrophobicContact CG2-CG1 3.84Å; G46-I51 WeakPolarHBondContact O-CD1 3.38Å; S47-I51 WeakPolarHBondContact O-CD1 3.42Å; S47-I51 WeakPolarHBondContact O-CG1 2.84Å; S47-I51 PolarHBondContact O-N 3.13Å; E49-I51 PolarHBondContact O-N 3.01Å; I51-L54 PolarHBondContact O-N 3.34Å; I51-F55 HydrophobicContact CG2-CD2 3.95Å; I51-F55 HydrophobicContact CG2-CE2 4.02Å; I51-F55 WeakPolarHBondContact O-CB 3.42Å; I51-F55 WeakPolarHBondContact O-CD2 3.33Å; I51-F55 PolarHBondContact O-N 3.11Å
52R98.2Very high96.9Very high176 Ų17660.8 Ų60.866%0.66431%0.314SS*.Hα-helixtrans-60.1-51.3177.8180178.4178.2176.11.1111.1R48 E49 L54 F55 D56R48-R52 WeakPolarHBondContact O-CB 3.47Å; R48-R52 PolarHBondContact O-N 2.92Å; E49-R52 PolarHBondContact O-N 3.15Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 2.9Å; R52-F55 PolarHBondContact O-N 3.23Å; R52-D56 WeakPolarHBondContact CG-OD2 3.09Å; R52-D56 IonicContact NE-OD2 2.79Å; R52-D56 WeakPolarHBondContact O-CB 3.14Å; R52-D56 VanDerWaalsContact O-CG 3.29Å; R52-D56 PolarHBondContact O-N 3.38Å
53S98.4Very high97Very high71 Ų7161.6 Ų61.650%0.49732%0.318SS..Hα-helixtrans-59.6-40.1178.7-65.20000112.3E49 E50 G57E49-S53 WeakPolarHBondContact O-CB 3.35Å; E49-S53 PolarHBondContact O-N 3.44Å; E49-S53 PolarHBondContact O-OG 2.98Å; E50-S53 PolarHBondContact O-N 3.23Å; S53-G57 PolarHBondContact O-N 3.05Å
54L98.1Very high97.1Very high1 Ų165.1 Ų65.11%0.00534%0.336CS..Hα-helixtrans-64-47.4175.4179.958.5000111.2L5 I21 A24 V25 I28 V42 E50 I51 R52 G57 L58L5-L54 HydrophobicContact CD2-CD2 3.93Å; I21-L54 HydrophobicContact CG2-CB 3.88Å; I21-L54 HydrophobicContact CG2-CD1 4.36Å; A24-L54 HydrophobicContact CB-CD1 4.5Å; V25-L54 HydrophobicContact CG2-CD1 3.69Å; I28-L54 HydrophobicContact CD1-CD1 4.29Å; V42-L54 HydrophobicContact CG1-CD2 3.6Å; E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.23Å; E50-L54 PolarHBondContact O-N 2.96Å; I51-L54 PolarHBondContact O-N 3.34Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 2.9Å; L54-G57 PolarHBondContact O-N 2.94Å; L54-L58 HydrophobicContact CD1-CD1 4.07Å; L54-L58 HydrophobicContact CD1-CG 4.26Å; L54-L58 HydrophobicContact CG-CD1 4.09Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.02Å; L54-L58 PolarHBondContact O-N 3.44Å
55F98.6Very high97.3Very high34 Ų3465.4 Ų65.415%0.14934%0.338CS..Hα-helixtrans-64.9-43.6-179.5-89-125.7000112.1V42 I51 R52 L58 K59 P65 R67V42-F55 HydrophobicContact CB-CE2 3.97Å; V42-F55 HydrophobicContact CB-CZ 4.39Å; V42-F55 HydrophobicContact CG1-CE2 4.2Å; V42-F55 HydrophobicContact CG2-CE2 4.13Å; I51-F55 HydrophobicContact CG2-CD2 3.95Å; I51-F55 HydrophobicContact CG2-CE2 4.02Å; I51-F55 WeakPolarHBondContact O-CB 3.42Å; I51-F55 WeakPolarHBondContact O-CD2 3.33Å; I51-F55 PolarHBondContact O-N 3.11Å; R52-F55 PolarHBondContact O-N 3.23Å; F55-L58 PolarHBondContact O-N 3.34Å; F55-K59 VanDerWaalsContact O-CG 3.26Å; F55-K59 WeakPolarHBondContact O-CG 3.17Å; F55-K59 PolarHBondContact O-N 2.9Å; F55-P65 HydrophobicContact CB-CG 4.18Å; F55-P65 HydrophobicContact CD1-CB 3.78Å; F55-P65 HydrophobicContact CD1-CG 3.66Å; F55-P65 HydrophobicContact CD2-CB 4.2Å; F55-P65 HydrophobicContact CE1-CB 3.81Å; F55-P65 HydrophobicContact CE1-CG 4.12Å; F55-P65 HydrophobicContact CE2-CB 4.23Å; F55-P65 HydrophobicContact CG-CB 3.97Å; F55-P65 HydrophobicContact CG-CG 3.94Å; F55-P65 HydrophobicContact CZ-CB 4.01Å; F55-R67 HydrophobicContact CE1-CB 4.49Å; F55-R67 HydrophobicContact CE2-CB 4.41Å; F55-R67 HydrophobicContact CZ-CB 3.62Å
56D98.6Very high97.5Very high64 Ų6469.7 Ų69.734%0.34236%0.355SS..Hα-helixtrans-66-43.2178.6-67.3-17.4000110.2R52 L58 K59 L60R52-D56 WeakPolarHBondContact CG-OD2 3.09Å; R52-D56 IonicContact NE-OD2 2.79Å; R52-D56 WeakPolarHBondContact O-CB 3.14Å; R52-D56 VanDerWaalsContact O-CG 3.29Å; R52-D56 PolarHBondContact O-N 3.38Å; D56-L58 PolarHBondContact O-N 2.78Å; D56-K59 PolarHBondContact O-N 2.88Å; D56-K59 IonicContact OD1-NZ 3.26Å; D56-L60 VanDerWaalsContact O-CG 3.27Å; D56-L60 WeakPolarHBondContact O-CG 3.36Å; D56-L60 PolarHBondContact O-N 2.94Å
57G98.6Very high97.7Very high16 Ų1672.6 Ų72.617%0.16536%0.363CS..Hα-helixtrans-59.2-43.7173.700000113.5S53 L54 L60 V61S53-G57 PolarHBondContact O-N 3.05Å; L54-G57 PolarHBondContact O-N 2.94Å; G57-L60 PolarHBondContact O-N 3.47Å; G57-V61 PolarHBondContact O-N 3.15Å
58L98.3Very high97.7Very high0 Ų073.1 Ų73.10%036%0.36CS..Hα-helixtrans-64.9-39.9176.9-71171.8000112.3V25 I28 V42 L54 F55 D56 V61 L63 P65V25-L58 HydrophobicContact CG1-CD2 4.42Å; V25-L58 HydrophobicContact CG2-CG 4.4Å; I28-L58 HydrophobicContact CB-CD2 3.87Å; I28-L58 HydrophobicContact CD1-CD1 4.48Å; I28-L58 HydrophobicContact CD1-CD2 4.12Å; I28-L58 HydrophobicContact CG2-CD2 3.55Å; V42-L58 HydrophobicContact CG2-CD1 3.94Å; L54-L58 HydrophobicContact CD1-CD1 4.07Å; L54-L58 HydrophobicContact CD1-CG 4.26Å; L54-L58 HydrophobicContact CG-CD1 4.09Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.02Å; L54-L58 PolarHBondContact O-N 3.44Å; F55-L58 PolarHBondContact O-N 3.34Å; D56-L58 PolarHBondContact O-N 2.78Å; L58-V61 WeakPolarHBondContact O-CG2 3.47Å; L58-V61 PolarHBondContact O-N 2.77Å; L58-L63 HydrophobicContact CB-CB 4.38Å; L58-L63 HydrophobicContact CD2-CD1 3.84Å; L58-L63 WeakPolarHBondContact O-CB 3.05Å; L58-L63 PolarHBondContact O-N 3.01Å; L58-P65 HydrophobicContact CB-CB 4.22Å; L58-P65 HydrophobicContact CB-CG 4.16Å; L58-P65 HydrophobicContact CD1-CB 3.87Å
59K98.5Very high97.7Very high114 Ų11468.5 Ų68.550%0.49636%0.355SS..Hα-helixtrans-65.5-39.7175.5-69.7168.8-167.9166.20112.2F55 D56 V61 G62 L63 P65F55-K59 VanDerWaalsContact O-CG 3.26Å; F55-K59 WeakPolarHBondContact O-CG 3.17Å; F55-K59 PolarHBondContact O-N 2.9Å; D56-K59 PolarHBondContact O-N 2.88Å; D56-K59 IonicContact OD1-NZ 3.26Å; K59-V61 PolarHBondContact O-N 2.83Å; K59-G62 PolarHBondContact O-N 3.36Å; K59-L63 WeakPolarHBondContact CA-O 3.4Å; K59-P65 HydrophobicContact CG-CG 3.99Å
60L98.4Very high97.5Very high154 Ų15464.1 Ų64.181%0.80634%0.337SS*.Hα-helixtrans-60.5-31.7178.2-74.6171.4000112.5D56 G57 G62D56-L60 VanDerWaalsContact O-CG 3.27Å; D56-L60 WeakPolarHBondContact O-CG 3.36Å; D56-L60 PolarHBondContact O-N 2.94Å; G57-L60 PolarHBondContact O-N 3.47Å; L60-G62 VanDerWaalsContact C-N 3.3Å
61V97.4Very high97.5Very high77 Ų7766.3 Ų66.347%0.46735%0.35SS..THydrogen-bonded Turntrans-90.313.1175.2-58.20000113.5V25 A29 G57 L58 K59 L63V25-V61 HydrophobicContact CG1-CG1 4.34Å; V25-V61 HydrophobicContact CG1-CG2 4.34Å; A29-V61 HydrophobicContact CB-CB 4.35Å; A29-V61 HydrophobicContact CB-CG2 3.98Å; G57-V61 PolarHBondContact O-N 3.15Å; L58-V61 WeakPolarHBondContact O-CG2 3.47Å; L58-V61 PolarHBondContact O-N 2.77Å; K59-V61 PolarHBondContact O-N 2.83Å; V61-L63 HydrophobicContact CG2-CD1 4.15Å; V61-L63 HydrophobicContact CG2-CG 4.15Å
62G97.8Very high97.4Very high57 Ų5774.4 Ų74.459%0.58838%0.379SS*.THydrogen-bonded Turntrans82.211.4174.800000115.5K59 L60K59-G62 PolarHBondContact O-N 3.36Å; L60-G62 VanDerWaalsContact C-N 3.3Å
63L97.6Very high97.4Very high17 Ų1772.9 Ų72.99%0.08938%0.379CS..  trans-91.2156.5175.6-61.4176.6000111.9I28 A32 N38 V40 L58 K59 V61 P65I28-L63 HydrophobicContact CG2-CD1 3.94Å; A32-L63 HydrophobicContact CB-CD1 3.92Å; A32-L63 HydrophobicContact CB-CD2 3.65Å; A32-L63 HydrophobicContact CB-CG 4.45Å; N38-L63 CarbonylContact O-C 3.53Å; N38-L63 WeakPolarHBondContact O-CA 3.17Å; V40-L63 HydrophobicContact CG2-CD1 4.04Å; L58-L63 HydrophobicContact CB-CB 4.38Å; L58-L63 HydrophobicContact CD2-CD1 3.84Å; L58-L63 WeakPolarHBondContact O-CB 3.05Å; L58-L63 PolarHBondContact O-N 3.01Å; K59-L63 WeakPolarHBondContact CA-O 3.4Å; V61-L63 HydrophobicContact CG2-CD1 4.15Å; V61-L63 HydrophobicContact CG2-CG 4.15Å; L63-P65 WeakPolarHBondContact O-CD 3.48Å
64I98.1Very high97.3Very high74 Ų7471.1 Ų71.138%0.37937%0.366SS..EExtended strand (participates in β ladder)trans-108.391.4178.5-55.1172.2000107.7N38 V39 V40N38-I64 PolarHBondContact O-N 3.16Å; V39-I64 HydrophobicContact CG2-CB 4.23Å; V39-I64 HydrophobicContact CG2-CD1 4.3Å; V40-I64 PolarHBondContact N-O 3.09Å; V40-I64 VanDerWaalsContact N-O 3.09Å
65P97.8Very high97.2Very high12 Ų1274.3 Ų74.38%0.07838%0.382CS..EExtended strand (participates in β ladder)trans-71.7133.8177.129.7-35000110.7V40 V42 F55 L58 K59 L63V40-P65 CarbonylContact O-C 3.37Å; V40-P65 WeakPolarHBondContact O-CA 3.5Å; V42-P65 HydrophobicContact CG2-CB 4.4Å; F55-P65 HydrophobicContact CB-CG 4.18Å; F55-P65 HydrophobicContact CD1-CB 3.78Å; F55-P65 HydrophobicContact CD1-CG 3.66Å; F55-P65 HydrophobicContact CD2-CB 4.2Å; F55-P65 HydrophobicContact CE1-CB 3.81Å; F55-P65 HydrophobicContact CE1-CG 4.12Å; F55-P65 HydrophobicContact CE2-CB 4.23Å; F55-P65 HydrophobicContact CG-CB 3.97Å; F55-P65 HydrophobicContact CG-CG 3.94Å; F55-P65 HydrophobicContact CZ-CB 4.01Å; L58-P65 HydrophobicContact CB-CB 4.22Å; L58-P65 HydrophobicContact CB-CG 4.16Å; L58-P65 HydrophobicContact CD1-CB 3.87Å; K59-P65 HydrophobicContact CG-CG 3.99Å; L63-P65 WeakPolarHBondContact O-CD 3.48Å
66K97.5Very high97.1Very high119 Ų11981.9 Ų81.952%0.51741%0.41SS..EExtended strand (participates in β ladder)trans-123.5150173-63.4-63.8-173.7-179.60109.1V39 V40 F41 V42V39-K66 HydrophobicContact CG1-CG 3.93Å; V40-K66 PolarHBondContact O-N 3.19Å; F41-K66 CarbonylContact C-O 3.59Å; F41-K66 WeakPolarHBondContact CA-O 3.48Å; V42-K66 PolarHBondContact N-O 3.29Å
67R96.4Very high97Very high69 Ų6983.3 Ų83.326%0.2642%0.421SS..  trans-148.6149.5173.3167.1173-17814914.2109.1V42 T44 F55 V69V42-R67 WeakPolarHBondContact O-CB 3.45Å; V42-R67 WeakPolarHBondContact O-CG 3.16Å; T44-R67 VanDerWaalsContact CG2-NH1 3.29Å; T44-R67 PolarHBondContact O-NH1 2.99Å; T44-R67 PolarHBondContact O-NH2 3.23Å; F55-R67 HydrophobicContact CE1-CB 4.49Å; F55-R67 HydrophobicContact CE2-CB 4.41Å; F55-R67 HydrophobicContact CZ-CB 3.62Å; R67-V69 PolarHBondContact O-N 2.9Å
68F96Very high96.9Very high61 Ų6188.3 Ų88.327%0.26844%0.438SS..  trans-74121.1169.3-179.6-116.6000110.1F41 P70 T74 I83 V86 I90F41-F68 HydrophobicContact CE2-CB 4.08Å; F41-F68 VanDerWaalsContact CE2-N 3.34Å; F41-F68 HydrophobicContact CZ-CB 4.06Å; F68-P70 HydrophobicContact CE1-CB 4.04Å; F68-P70 HydrophobicContact CZ-CB 4.23Å; F68-T74 HydrophobicContact CZ-CG2 4.29Å; F68-I83 HydrophobicContact CD1-CG2 4.18Å; F68-I83 HydrophobicContact CE1-CD1 4.1Å; F68-I83 HydrophobicContact CE1-CG2 4.25Å; F68-V86 HydrophobicContact CD1-CB 4.23Å; F68-V86 HydrophobicContact CD1-CG1 3.66Å; F68-V86 HydrophobicContact CD2-CG1 4.48Å; F68-V86 HydrophobicContact CE1-CB 4.12Å; F68-V86 HydrophobicContact CE1-CG1 3.69Å; F68-V86 HydrophobicContact CE1-CG2 4.45Å; F68-V86 HydrophobicContact CG-CG1 4.07Å; F68-V86 HydrophobicContact CZ-CG1 4.15Å; F68-I90 HydrophobicContact CB-CD1 3.97Å; F68-I90 HydrophobicContact CG-CD1 4.38Å
69V94.8Very high96.8Very high118 Ų11893.8 Ų93.872%0.71547%0.467SS*.  trans-116.7105175.5-178.40000107R67R67-V69 PolarHBondContact O-N 2.9Å
70P94.8Very high96.4Very high30 Ų3093.8 Ų93.820%0.19547%0.472CS..  trans-67.8142.8178.829.4-35.4000110.2F68 T74 L75 I83F68-P70 HydrophobicContact CE1-CB 4.04Å; F68-P70 HydrophobicContact CZ-CB 4.23Å; P70-T74 HydrophobicContact CB-CG2 3.95Å; P70-L75 HydrophobicContact CB-CB 4.34Å; P70-L75 HydrophobicContact CG-CB 4.33Å; P70-L75 HydrophobicContact CG-CD1 4.37Å; P70-I83 HydrophobicContact CB-CD1 3.57Å; P70-I83 HydrophobicContact CB-CG1 4.23Å; P70-I83 HydrophobicContact CG-CD1 3.85Å; P70-I83 HydrophobicContact CG-CG1 3.93Å; P70-I83 HydrophobicContact CG-CG2 4.05Å
71N96.3Very high96.1Very high92 Ų9288.8 Ų88.849%0.49246%0.458SS..  trans-71.4171.1166.872.139.3000109.9E73 T74 L75N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 3.42Å; N71-E73 WeakPolarHBondContact OD1-CA 3.31Å; N71-E73 WeakPolarHBondContact OD1-CB 3.35Å; N71-E73 PolarHBondContact OD1-N 3.13Å; N71-T74 PolarHBondContact ND2-OG1 2.05Å; N71-T74 PolarHBondContact O-N 3.18Å; N71-T74 PolarHBondContact OD1-N 2.82Å; N71-T74 PolarHBondContact OD1-OG1 3.28Å; N71-T74 VanDerWaalsContact OD1-OG1 3.06Å; N71-L75 WeakPolarHBondContact O-CB 3.36Å; N71-L75 PolarHBondContact O-N 3.06Å
72R96.2Very high95.9Very high206 Ų20685.9 Ų85.978%0.77744%0.444SS*.Hα-helixtrans-60.1-34.7-176.9-72.4-177.5175.5178.2-1.3113.3R76R72-R76 WeakPolarHBondContact O-CB 3.44Å; R72-R76 VanDerWaalsContact O-CG 3.23Å; R72-R76 WeakPolarHBondContact O-CG 3.36Å; R72-R76 PolarHBondContact O-N 3.48Å
73E97.2Very high95.8Very high144 Ų14483.8 Ų83.867%0.67342%0.419SS*.Hα-helixtrans-72.5-48.1-179.6-176.6-178.9-177.800111.2N71 L75 R76 T77N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 3.42Å; N71-E73 WeakPolarHBondContact OD1-CA 3.31Å; N71-E73 WeakPolarHBondContact OD1-CB 3.35Å; N71-E73 PolarHBondContact OD1-N 3.13Å; E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 3.46Å; E73-R76 PolarHBondContact O-N 2.98Å; E73-T77 WeakPolarHBondContact O-CB 3.22Å; E73-T77 PolarHBondContact O-N 2.82Å; E73-T77 PolarHBondContact O-OG1 3.3Å
74T96.3Very high95.5Very high35 Ų3585 Ų8522%0.21543%0.429CS..Hα-helixtrans-57.5-44.7173.6-53.50000110.9F68 P70 N71 T77 F78 I83F68-T74 HydrophobicContact CZ-CG2 4.29Å; P70-T74 HydrophobicContact CB-CG2 3.95Å; N71-T74 PolarHBondContact ND2-OG1 2.05Å; N71-T74 PolarHBondContact O-N 3.18Å; N71-T74 PolarHBondContact OD1-N 2.82Å; N71-T74 PolarHBondContact OD1-OG1 3.28Å; N71-T74 VanDerWaalsContact OD1-OG1 3.06Å; T74-T77 PolarHBondContact O-N 2.9Å; T74-F78 HydrophobicContact CG2-CD2 3.71Å; T74-F78 HydrophobicContact CG2-CE2 4.19Å; T74-F78 WeakPolarHBondContact O-CD2 3.42Å; T74-F78 PolarHBondContact O-N 3.22Å; T74-I83 HydrophobicContact CG2-CD1 4.01Å
75L96.1Very high95.3Very high68 Ų6886.1 Ų86.136%0.35644%0.435SS..Hα-helixtrans-64.5-40178.1-177.662000112.3P70 N71 E73 T77 L79 I83P70-L75 HydrophobicContact CB-CB 4.34Å; P70-L75 HydrophobicContact CG-CB 4.33Å; P70-L75 HydrophobicContact CG-CD1 4.37Å; N71-L75 WeakPolarHBondContact O-CB 3.36Å; N71-L75 PolarHBondContact O-N 3.06Å; E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 3.46Å; L75-T77 VanDerWaalsContact C-N 3.35Å; L75-L79 WeakPolarHBondContact O-CA 3.38Å; L75-L79 PolarHBondContact O-N 3.41Å; L75-I83 HydrophobicContact CD1-CG1 3.88Å
76R96.2Very high95.1Very high193 Ų19387.9 Ų87.973%0.72845%0.445SS*.Hα-helixtrans-67.3-36.6175.5-76.6172.8-177.8178.1-0.8112.6R72 E73 L79R72-R76 WeakPolarHBondContact O-CB 3.44Å; R72-R76 VanDerWaalsContact O-CG 3.23Å; R72-R76 WeakPolarHBondContact O-CG 3.36Å; R72-R76 PolarHBondContact O-N 3.48Å; E73-R76 PolarHBondContact O-N 2.98Å; R76-L79 WeakPolarHBondContact O-CD2 3.31Å
77T97.3Very high95Very high93 Ų9382.8 Ų82.857%0.57142%0.423SS*.Hα-helixtrans-74-47.8-176.8-56.70000111.5E73 T74 L75E73-T77 WeakPolarHBondContact O-CB 3.22Å; E73-T77 PolarHBondContact O-N 2.82Å; E73-T77 PolarHBondContact O-OG1 3.3Å; T74-T77 PolarHBondContact O-N 2.9Å; L75-T77 VanDerWaalsContact C-N 3.35Å
78F95.9Very high94.8Very high121 Ų12180.2 Ų80.253%0.53141%0.414SS..Hα-helixtrans-98.6-15.8-172.5-67.1-67.7000113.9T74 G82 I83T74-F78 HydrophobicContact CG2-CD2 3.71Å; T74-F78 HydrophobicContact CG2-CE2 4.19Å; T74-F78 WeakPolarHBondContact O-CD2 3.42Å; T74-F78 PolarHBondContact O-N 3.22Å; F78-G82 VanDerWaalsContact O-CA 3.25Å; F78-G82 WeakPolarHBondContact O-CA 3.36Å; F78-G82 PolarHBondContact O-N 3.05Å; F78-I83 HydrophobicContact CB-CD1 4.15Å
79L95.3Very high94.7Very high115 Ų11583.1 Ų83.160%0.60242%0.424SS*.Hα-helixtrans55.5173.9-174.4-51.4176.4000112.3L75 R76 G81 G82 I83L75-L79 WeakPolarHBondContact O-CA 3.38Å; L75-L79 PolarHBondContact O-N 3.41Å; R76-L79 WeakPolarHBondContact O-CD2 3.31Å; L79-G81 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact O-N 3.12Å; L79-G82 PolarHBondContact O-N 2.9Å; L79-G82 VanDerWaalsContact O-N 3.13Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.44Å; L79-I83 PolarHBondContact O-N 3.09Å
80D90.8Very high94.6Very high114 Ų11480.4 Ų80.461%0.6140%0.404SS*.Hα-helixtrans-56-34.4-178.1-69.5-23000113I83 S84D80-I83 PolarHBondContact O-N 2.75Å; D80-S84 WeakPolarHBondContact O-CB 3.09Å; D80-S84 PolarHBondContact O-N 2.85Å
81G91.7Very high94.6Very high49 Ų4979 Ų7951%0.50540%0.395SS..Hα-helixtrans-62.7-48.7176.800000112.7L79 S84 I85L79-G81 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact O-N 3.12Å; G81-S84 WeakPolarHBondContact O-CB 3.49Å; G81-S84 PolarHBondContact O-N 3.38Å; G81-I85 WeakPolarHBondContact O-CG1 3.46Å; G81-I85 PolarHBondContact O-N 3.46Å; G81-I85 VanDerWaalsContact O-N 3.11Å
82G94.5Very high94.4Very high16 Ų1674.6 Ų74.617%0.16537%0.371CS..Hα-helixtrans-68.8-34.3177.400000112.7F78 L79 S84 I85 V86F78-G82 VanDerWaalsContact O-CA 3.25Å; F78-G82 WeakPolarHBondContact O-CA 3.36Å; F78-G82 PolarHBondContact O-N 3.05Å; L79-G82 PolarHBondContact O-N 2.9Å; L79-G82 VanDerWaalsContact O-N 3.13Å; G82-S84 VanDerWaalsContact C-N 3.31Å; G82-S84 PolarHBondContact O-N 3.12Å; G82-I85 WeakPolarHBondContact O-CB 3.44Å; G82-I85 PolarHBondContact O-N 2.75Å; G82-I85 VanDerWaalsContact O-N 3.17Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.08Å
83I94.7Very high94.2Very high14 Ų1469.7 Ų69.77%0.07236%0.357CS..Hα-helixtrans-62.2-40.7171.4-57.4-47.4000111.1F68 P70 T74 L75 F78 L79 D80 I85 V86 D87F68-I83 HydrophobicContact CD1-CG2 4.18Å; F68-I83 HydrophobicContact CE1-CD1 4.1Å; F68-I83 HydrophobicContact CE1-CG2 4.25Å; P70-I83 HydrophobicContact CB-CD1 3.57Å; P70-I83 HydrophobicContact CB-CG1 4.23Å; P70-I83 HydrophobicContact CG-CD1 3.85Å; P70-I83 HydrophobicContact CG-CG1 3.93Å; P70-I83 HydrophobicContact CG-CG2 4.05Å; T74-I83 HydrophobicContact CG2-CD1 4.01Å; L75-I83 HydrophobicContact CD1-CG1 3.88Å; F78-I83 HydrophobicContact CB-CD1 4.15Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.44Å; L79-I83 PolarHBondContact O-N 3.09Å; D80-I83 PolarHBondContact O-N 2.75Å; I83-I85 VanDerWaalsContact C-N 3.27Å; I83-I85 PolarHBondContact O-N 2.86Å; I83-V86 WeakPolarHBondContact O-CB 3.26Å; I83-V86 PolarHBondContact O-N 2.99Å; I83-V86 VanDerWaalsContact O-N 3.15Å; I83-D87 PolarHBondContact O-N 3.08Å
84S92Very high93.9Very high42 Ų4263.5 Ų63.529%0.29433%0.33SS..Hα-helixtrans-63.8-32175.4-177.80000112.7D80 G81 G82 Q88D80-S84 WeakPolarHBondContact O-CB 3.09Å; D80-S84 PolarHBondContact O-N 2.85Å; G81-S84 WeakPolarHBondContact O-CB 3.49Å; G81-S84 PolarHBondContact O-N 3.38Å; G82-S84 VanDerWaalsContact C-N 3.31Å; G82-S84 PolarHBondContact O-N 3.12Å; S84-Q88 WeakPolarHBondContact O-CG 3.38Å; S84-Q88 PolarHBondContact O-N 2.82Å; S84-Q88 PolarHBondContact O-NE2 3.41Å; S84-Q88 PolarHBondContact OG-NE2 3.42Å
85I93.6Very high92.9Very high98 Ų9872.8 Ų72.850%0.50336%0.362SS..Hα-helixtrans-67-42173.3-66.7168.9000110.4G81 G82 I83 D87 Q88 W89G81-I85 WeakPolarHBondContact O-CG1 3.46Å; G81-I85 PolarHBondContact O-N 3.46Å; G81-I85 VanDerWaalsContact O-N 3.11Å; G82-I85 WeakPolarHBondContact O-CB 3.44Å; G82-I85 PolarHBondContact O-N 2.75Å; G82-I85 VanDerWaalsContact O-N 3.17Å; I83-I85 VanDerWaalsContact C-N 3.27Å; I83-I85 PolarHBondContact O-N 2.86Å; I85-D87 PolarHBondContact O-N 3.5Å; I85-Q88 PolarHBondContact O-N 3.36Å; I85-W89 WeakPolarHBondContact O-CB 3.41Å; I85-W89 PolarHBondContact O-N 3.49Å
86V94.2Very high91.5Very high49 Ų4970.3 Ų70.330%0.29735%0.35SS..Hα-helixtrans-60.2-46.4175.4175.70000111.1F68 G82 I83 Q88 W89 I90F68-V86 HydrophobicContact CD1-CB 4.23Å; F68-V86 HydrophobicContact CD1-CG1 3.66Å; F68-V86 HydrophobicContact CD2-CG1 4.48Å; F68-V86 HydrophobicContact CE1-CB 4.12Å; F68-V86 HydrophobicContact CE1-CG1 3.69Å; F68-V86 HydrophobicContact CE1-CG2 4.45Å; F68-V86 HydrophobicContact CG-CG1 4.07Å; F68-V86 HydrophobicContact CZ-CG1 4.15Å; G82-V86 PolarHBondContact O-N 2.82Å; G82-V86 VanDerWaalsContact O-N 3.08Å; I83-V86 WeakPolarHBondContact O-CB 3.26Å; I83-V86 PolarHBondContact O-N 2.99Å; I83-V86 VanDerWaalsContact O-N 3.15Å; V86-Q88 PolarHBondContact O-N 3.36Å; V86-W89 PolarHBondContact O-N 2.65Å; V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.35Å; V86-I90 VanDerWaalsContact O-CG1 3.31Å; V86-I90 WeakPolarHBondContact O-CG1 3.16Å; V86-I90 PolarHBondContact O-N 3.39Å
87D93.8Very high89.9Confident11 Ų1162.5 Ų62.56%0.05932%0.322CS..Hα-helixtrans-58.1-45.7176.1-87.9-15.3000111.9F41 A43 I83 I85 I90 C91F41-D87 WeakPolarHBondContact CZ-OD1 3.37Å; A43-D87 HydrophobicContact CB-CB 3.77Å; I83-D87 PolarHBondContact O-N 3.08Å; I85-D87 PolarHBondContact O-N 3.5Å; D87-I90 PolarHBondContact O-N 2.77Å; D87-C91 WeakPolarHBondContact O-CB 3.37Å; D87-C91 PolarHBondContact O-N 3Å; D87-C91 PolarHBondContact O-SG 3.18Å
88Q92.3Very high88.3Confident15 Ų1558.1 Ų58.17%0.0730%0.295CS..Hα-helixtrans-60.8-44.4176-77.2165.59500111.7S84 I85 V86 C91 A92 I104S84-Q88 WeakPolarHBondContact O-CG 3.38Å; S84-Q88 PolarHBondContact O-N 2.82Å; S84-Q88 PolarHBondContact O-NE2 3.41Å; S84-Q88 PolarHBondContact OG-NE2 3.42Å; I85-Q88 PolarHBondContact O-N 3.36Å; V86-Q88 PolarHBondContact O-N 3.36Å; Q88-C91 VanDerWaalsContact O-CB 3.32Å; Q88-C91 WeakPolarHBondContact O-CB 3.4Å; Q88-C91 PolarHBondContact O-N 3.06Å; Q88-A92 PolarHBondContact O-N 2.92Å; Q88-I104 HydrophobicContact CB-CG1 4.22Å; Q88-I104 HydrophobicContact CG-CD1 4.23Å; Q88-I104 HydrophobicContact CG-CG1 4.16Å
89W93.9Very high86.9Confident123 Ų12353 Ų5347%0.46627%0.273SS..Hα-helixtrans-66.2-39.1179.9-106.3126.5000113.4I85 V86 C91 A92 H93 L111I85-W89 WeakPolarHBondContact O-CB 3.41Å; I85-W89 PolarHBondContact O-N 3.49Å; V86-W89 PolarHBondContact O-N 2.65Å; W89-C91 VanDerWaalsContact C-N 3.33Å; W89-A92 HydrophobicContact CE3-CB 4.21Å; W89-A92 PolarHBondContact O-N 2.9Å; W89-H93 AromaticContact CE3-CE1 3.11Å; W89-H93 AromaticContact CE3-ND1 3.26Å; W89-H93 VanDerWaalsContact CE3-ND1 3.26Å; W89-H93 AromaticContact CH2-CE1 3.99Å; W89-H93 AromaticContact CZ3-CE1 2.97Å; W89-H93 WeakPolarHBondContact CZ3-CE1 3.13Å; W89-H93 AromaticContact CZ3-ND1 3.56Å; W89-H93 AromaticContact CZ3-NE2 3.85Å; W89-H93 PolarHBondContact O-N 3.05Å; W89-H93 PolarHBondContact O-ND1 3.27Å; W89-L111 HydrophobicContact CZ3-CD1 4.16Å
90I94Very high85.9Confident60 Ų6048 Ų4831%0.30825%0.247SC..Hα-helixtrans-64.5-43174-65.8166.2000109.7F41 F68 V86 D87 H93 A94F41-I90 HydrophobicContact CD1-CB 4.31Å; F41-I90 HydrophobicContact CD1-CG2 3.57Å; F41-I90 HydrophobicContact CD2-CG2 3.79Å; F41-I90 HydrophobicContact CE1-CB 3.8Å; F41-I90 HydrophobicContact CE1-CD1 4.37Å; F41-I90 HydrophobicContact CE1-CG2 3.52Å; F41-I90 HydrophobicContact CE2-CB 4.41Å; F41-I90 HydrophobicContact CE2-CD1 3.84Å; F41-I90 HydrophobicContact CE2-CG2 3.74Å; F41-I90 HydrophobicContact CG-CG2 3.7Å; F41-I90 HydrophobicContact CZ-CB 3.87Å; F41-I90 HydrophobicContact CZ-CD1 3.57Å; F41-I90 HydrophobicContact CZ-CG1 4.33Å; F41-I90 HydrophobicContact CZ-CG2 3.62Å; F68-I90 HydrophobicContact CB-CD1 3.97Å; F68-I90 HydrophobicContact CG-CD1 4.38Å; V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.35Å; V86-I90 VanDerWaalsContact O-CG1 3.31Å; V86-I90 WeakPolarHBondContact O-CG1 3.16Å; V86-I90 PolarHBondContact O-N 3.39Å; D87-I90 PolarHBondContact O-N 2.77Å; I90-H93 PolarHBondContact O-N 3.03Å; I90-A94 PolarHBondContact O-N 2.96Å
91C93.6Very high85.4Confident0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-59.6-46.1175.4-84.80000112.3A2 D87 Q88 W89 H93 A94 F100 I104A2-C91 HydrophobicContact CB-CB 4.36Å; D87-C91 WeakPolarHBondContact O-CB 3.37Å; D87-C91 PolarHBondContact O-N 3Å; D87-C91 PolarHBondContact O-SG 3.18Å; Q88-C91 VanDerWaalsContact O-CB 3.32Å; Q88-C91 WeakPolarHBondContact O-CB 3.4Å; Q88-C91 PolarHBondContact O-N 3.06Å; W89-C91 VanDerWaalsContact C-N 3.33Å; C91-H93 VanDerWaalsContact C-N 3.29Å; C91-H93 PolarHBondContact O-N 3.29Å; C91-A94 WeakPolarHBondContact O-CB 3.43Å; C91-A94 PolarHBondContact O-N 3.37Å; C91-F100 HydrophobicContact CB-CD1 4.11Å; C91-F100 HydrophobicContact CB-CE1 3.53Å; C91-F100 HydrophobicContact CB-CZ 4.42Å; C91-F100 WeakPolarHBondContact O-CZ 3.13Å; C91-I104 HydrophobicContact CB-CD1 3.8Å; C91-I104 HydrophobicContact CB-CG1 4.38Å; C91-I104 HydrophobicContact CB-CG2 4.16Å
92A92.5Very high85Confident0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-58-40.317900000112.3Q88 W89 A94 I104 D107 R108 L111 F113Q88-A92 PolarHBondContact O-N 2.92Å; W89-A92 HydrophobicContact CE3-CB 4.21Å; W89-A92 PolarHBondContact O-N 2.9Å; A92-A94 VanDerWaalsContact C-N 3.34Å; A92-A94 PolarHBondContact O-N 2.98Å; A92-I104 HydrophobicContact CB-CG2 4.3Å; A92-D107 HydrophobicContact CB-CB 3.78Å; A92-R108 HydrophobicContact CB-CG 4.43Å; A92-R108 VanDerWaalsContact O-CG 3.31Å; A92-R108 WeakPolarHBondContact O-CG 3.47Å; A92-R108 PolarHBondContact O-NH1 3.29Å; A92-L111 HydrophobicContact CB-CD1 4.17Å; A92-F113 WeakPolarHBondContact O-CE2 3.41Å
93H92.9Very high84.7Confident104 Ų10453.9 Ų53.948%0.48125%0.252SS..THydrogen-bonded Turntrans-82.4-0.8-179.2-74.499.8000115.6W89 I90 C91 R95W89-H93 AromaticContact CE3-CE1 3.11Å; W89-H93 AromaticContact CE3-ND1 3.26Å; W89-H93 VanDerWaalsContact CE3-ND1 3.26Å; W89-H93 AromaticContact CH2-CE1 3.99Å; W89-H93 AromaticContact CZ3-CE1 2.97Å; W89-H93 WeakPolarHBondContact CZ3-CE1 3.13Å; W89-H93 AromaticContact CZ3-ND1 3.56Å; W89-H93 AromaticContact CZ3-NE2 3.85Å; W89-H93 PolarHBondContact O-N 3.05Å; W89-H93 PolarHBondContact O-ND1 3.27Å; I90-H93 PolarHBondContact O-N 3.03Å; C91-H93 VanDerWaalsContact C-N 3.29Å; C91-H93 PolarHBondContact O-N 3.29Å; H93-R95 PolarHBondContact O-N 2.95Å
94A89.8Confident84.4Confident13 Ų1353.2 Ų53.211%0.10725%0.248CC..  trans-63.6126179.700000111A2 I90 C91 A92 S96 R108A2-A94 HydrophobicContact CB-CB 3.46Å; A2-A94 VanDerWaalsContact CB-CB 3.46Å; I90-A94 PolarHBondContact O-N 2.96Å; C91-A94 WeakPolarHBondContact O-CB 3.43Å; C91-A94 PolarHBondContact O-N 3.37Å; A92-A94 VanDerWaalsContact C-N 3.34Å; A92-A94 PolarHBondContact O-N 2.98Å; A94-S96 PolarHBondContact O-N 2.76Å; A94-S96 VanDerWaalsContact O-N 3.08Å; A94-R108 PolarHBondContact O-NH1 3.22Å
95R75.8Confident84.3Confident231 Ų23152 Ų5287%0.87224%0.237SC*.SBendtrans-67.5-9.2-174.1-69.1-173.2176.3-170.2-1.4116H93H93-R95 PolarHBondContact O-N 2.95Å
96S66.8Low84.1Confident16 Ų1650.3 Ų50.311%0.11223%0.229CC..SBendtrans-149.6156.2-170.6164.80000111.6N35 L37 A94 S98N35-S96 WeakPolarHBondContact CB-OG 3.23Å; N35-S96 VanDerWaalsContact CG-OG 3.22Å; N35-S96 PolarHBondContact OD1-OG 2.73Å; L37-S96 VanDerWaalsContact CD1-OG 3.22Å; L37-S96 WeakPolarHBondContact CD1-OG 3.03Å; A94-S96 PolarHBondContact O-N 2.76Å; A94-S96 VanDerWaalsContact O-N 3.08Å; S96-S98 PolarHBondContact O-OG 2.86Å
97E63.4Low83.9Confident28 Ų2850.4 Ų50.413%0.13123%0.228CC..  trans-29.3133.9-171-84.9-164.513100113.8M1 K31 N35 T117 N120M1-E97 WeakPolarHBondContact CE-O 3.49Å; M1-E97 WeakPolarHBondContact CG-O 3.4Å; K31-E97 WeakPolarHBondContact CD-OE2 3.5Å; K31-E97 VanDerWaalsContact NZ-CD 3.34Å; K31-E97 IonicContact NZ-OE1 3.39Å; K31-E97 PolarHBondContact NZ-OE1 2.91Å; K31-E97 IonicContact NZ-OE2 3.99Å; K31-E97 PolarHBondContact NZ-OE2 3.36Å; N35-E97 PolarHBondContact ND2-OE2 2.91Å; E97-T117 HydrophobicContact CG-CG2 4.11Å; E97-N120 PolarHBondContact OE1-ND2 2.85Å; E97-N120 PolarHBondContact OE1-OD1 3.21Å
98S63.4Low83.8Confident2 Ų249.9 Ų49.91%0.01423%0.225CC..  trans-156.5142.3-168.5-68.30000108.7A2 S96 F100A2-S98 WeakPolarHBondContact CA-OG 3.18Å; A2-S98 PolarHBondContact N-OG 2.92Å; A2-S98 WeakPolarHBondContact O-CA 3.13Å; A2-S98 WeakPolarHBondContact O-CB 3.21Å; A2-S98 PolarHBondContact O-OG 3.48Å; S96-S98 PolarHBondContact O-OG 2.86Å; S98-F100 VanDerWaalsContact O-CD2 3.24Å; S98-F100 WeakPolarHBondContact O-CD2 3.38Å
99T66.3Low83.7Confident12 Ų1250.8 Ų50.87%0.07423%0.23CC..BIsolated β-bridgetrans-88.5125.3-179.8-50.20000110.3H4 N120 F122H4-T99 PolarHBondContact N-O 3.32Å; T99-N120 WeakPolarHBondContact CA-O 3.44Å; T99-F122 VanDerWaalsContact CB-CE2 3.44Å; T99-F122 HydrophobicContact CG2-CB 3.91Å; T99-F122 HydrophobicContact CG2-CD1 4.14Å; T99-F122 HydrophobicContact CG2-CD2 3.15Å; T99-F122 HydrophobicContact CG2-CE1 4.45Å; T99-F122 HydrophobicContact CG2-CE2 3.53Å; T99-F122 HydrophobicContact CG2-CG 3.47Å; T99-F122 VanDerWaalsContact CG2-CG 3.47Å; T99-F122 HydrophobicContact CG2-CZ 4.17Å
100F74.8Confident83.5Confident11 Ų1150.9 Ų50.95%0.04824%0.238CC..  trans-133.8167.2-167.2-63-51.8000115.5A2 H4 C91 S98 I104 Y105 R108 N120A2-F100 HydrophobicContact CB-CE1 4.43Å; H4-F100 HydrophobicContact CB-CD1 4.2Å; C91-F100 HydrophobicContact CB-CD1 4.11Å; C91-F100 HydrophobicContact CB-CE1 3.53Å; C91-F100 HydrophobicContact CB-CZ 4.42Å; C91-F100 WeakPolarHBondContact O-CZ 3.13Å; S98-F100 VanDerWaalsContact O-CD2 3.24Å; S98-F100 WeakPolarHBondContact O-CD2 3.38Å; F100-I104 HydrophobicContact CB-CB 3.9Å; F100-I104 HydrophobicContact CB-CD1 4.32Å; F100-I104 HydrophobicContact CB-CG2 4.02Å; F100-I104 HydrophobicContact CD1-CB 3.98Å; F100-I104 HydrophobicContact CD1-CD1 3.73Å; F100-I104 HydrophobicContact CD1-CG1 4.44Å; F100-I104 HydrophobicContact CD1-CG2 3.37Å; F100-I104 HydrophobicContact CD2-CG2 3.81Å; F100-I104 HydrophobicContact CE1-CD1 4.43Å; F100-I104 HydrophobicContact CE1-CG2 3.54Å; F100-I104 HydrophobicContact CE2-CG2 3.95Å; F100-I104 HydrophobicContact CG-CB 3.92Å; F100-I104 HydrophobicContact CG-CD1 4.35Å; F100-I104 HydrophobicContact CG-CG2 3.46Å; F100-I104 VanDerWaalsContact CG-CG2 3.46Å; F100-I104 HydrophobicContact CZ-CG2 3.75Å; F100-Y105 HydrophobicContact CB-CD1 3.81Å; F100-Y105 HydrophobicContact CB-CE1 3.44Å; F100-Y105 VanDerWaalsContact CB-CE1 3.44Å; F100-Y105 HydrophobicContact CD2-CD1 4.2Å; F100-Y105 HydrophobicContact CD2-CE1 4.15Å; F100-Y105 HydrophobicContact CG-CE1 4.33Å; F100-Y105 VanDerWaalsContact O-CZ 3.29Å; F100-Y105 PolarHBondContact O-OH 2.79Å; F100-R108 HydrophobicContact CE2-CG 4.5Å; F100-N120 PolarHBondContact N-O 3.36Å; F100-N120 VanDerWaalsContact N-O 3.13Å
101T79.5Confident83.4Confident32 Ų3251.5 Ų51.520%0.19624%0.241CC..  trans-96.4159.7165.850.20000109.5H4 R6 R103 I104 Y105H4-T101 PolarHBondContact CE1-OG1 3.08Å; H4-T101 VanDerWaalsContact CE1-OG1 3.23Å; H4-T101 VanDerWaalsContact ND1-CG2 3.33Å; H4-T101 WeakPolarHBondContact ND1-CG2 3.39Å; H4-T101 PolarHBondContact ND1-OG1 2.95Å; R6-T101 HydrophobicContact CG-CG2 3.64Å; T101-R103 VanDerWaalsContact C-N 3.31Å; T101-R103 PolarHBondContact O-N 3.26Å; T101-I104 PolarHBondContact O-N 3.33Å; T101-Y105 PolarHBondContact O-N 3.33Å
102L83.3Confident83.2Confident110 Ų11054.6 Ų54.658%0.57627%0.274SS*.Hα-helixtrans-39.8-52-175.9-173.760.7000114.8I104 Y105 D106L102-I104 VanDerWaalsContact C-N 3.25Å; L102-I104 PolarHBondContact O-N 2.88Å; L102-I104 VanDerWaalsContact O-N 3.13Å; L102-Y105 HydrophobicContact CD1-CD2 4.28Å; L102-Y105 WeakPolarHBondContact O-CA 3.24Å; L102-Y105 VanDerWaalsContact O-CB 3.29Å; L102-Y105 WeakPolarHBondContact O-CB 3.46Å; L102-Y105 PolarHBondContact O-N 3.3Å; L102-D106 PolarHBondContact O-N 2.65Å
103R87.6Confident83.1Confident161 Ų16157.3 Ų57.361%0.60829%0.286SS*.Hα-helixtrans-56.4-34.2-178.7-72.4-157.8-72.2-106.83.2115.1T101 D107T101-R103 VanDerWaalsContact C-N 3.31Å; T101-R103 PolarHBondContact O-N 3.26Å; R103-D107 VanDerWaalsContact O-CG 3.31Å; R103-D107 PolarHBondContact O-N 2.96Å; R103-D107 VanDerWaalsContact O-N 3.11Å
104I89.2Confident82.8Confident0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-78.7-26.4179.6-58.1160.3000110.5H4 Q88 C91 A92 F100 T101 L102 R108H4-I104 HydrophobicContact CB-CD1 3.78Å; H4-I104 WeakPolarHBondContact ND1-CD1 3.19Å; Q88-I104 HydrophobicContact CB-CG1 4.22Å; Q88-I104 HydrophobicContact CG-CD1 4.23Å; Q88-I104 HydrophobicContact CG-CG1 4.16Å; C91-I104 HydrophobicContact CB-CD1 3.8Å; C91-I104 HydrophobicContact CB-CG1 4.38Å; C91-I104 HydrophobicContact CB-CG2 4.16Å; A92-I104 HydrophobicContact CB-CG2 4.3Å; F100-I104 HydrophobicContact CB-CB 3.9Å; F100-I104 HydrophobicContact CB-CD1 4.32Å; F100-I104 HydrophobicContact CB-CG2 4.02Å; F100-I104 HydrophobicContact CD1-CB 3.98Å; F100-I104 HydrophobicContact CD1-CD1 3.73Å; F100-I104 HydrophobicContact CD1-CG1 4.44Å; F100-I104 HydrophobicContact CD1-CG2 3.37Å; F100-I104 HydrophobicContact CD2-CG2 3.81Å; F100-I104 HydrophobicContact CE1-CD1 4.43Å; F100-I104 HydrophobicContact CE1-CG2 3.54Å; F100-I104 HydrophobicContact CE2-CG2 3.95Å; F100-I104 HydrophobicContact CG-CB 3.92Å; F100-I104 HydrophobicContact CG-CD1 4.35Å; F100-I104 HydrophobicContact CG-CG2 3.46Å; F100-I104 VanDerWaalsContact CG-CG2 3.46Å; F100-I104 HydrophobicContact CZ-CG2 3.75Å; T101-I104 PolarHBondContact O-N 3.33Å; L102-I104 VanDerWaalsContact C-N 3.25Å; L102-I104 PolarHBondContact O-N 2.88Å; L102-I104 VanDerWaalsContact O-N 3.13Å; I104-R108 HydrophobicContact CG2-CG 4.29Å; I104-R108 WeakPolarHBondContact O-CB 3.21Å; I104-R108 WeakPolarHBondContact O-CG 3.38Å; I104-R108 PolarHBondContact O-N 3.36Å; I104-R108 VanDerWaalsContact O-N 3.07Å
105Y89Confident82.7Confident16 Ų1658.7 Ų58.76%0.06329%0.292CS..Hα-helixtrans-62.5-50.1171-58-42.5000110.1F100 T101 L102 D107 R108 E109 T118 F119 N120 P133F100-Y105 HydrophobicContact CB-CD1 3.81Å; F100-Y105 HydrophobicContact CB-CE1 3.44Å; F100-Y105 VanDerWaalsContact CB-CE1 3.44Å; F100-Y105 HydrophobicContact CD2-CD1 4.2Å; F100-Y105 HydrophobicContact CD2-CE1 4.15Å; F100-Y105 HydrophobicContact CG-CE1 4.33Å; F100-Y105 VanDerWaalsContact O-CZ 3.29Å; F100-Y105 PolarHBondContact O-OH 2.79Å; T101-Y105 PolarHBondContact O-N 3.33Å; L102-Y105 HydrophobicContact CD1-CD2 4.28Å; L102-Y105 WeakPolarHBondContact O-CA 3.24Å; L102-Y105 VanDerWaalsContact O-CB 3.29Å; L102-Y105 WeakPolarHBondContact O-CB 3.46Å; L102-Y105 PolarHBondContact O-N 3.3Å; Y105-D107 PolarHBondContact O-N 2.87Å; Y105-R108 PolarHBondContact O-N 3.3Å; Y105-E109 WeakPolarHBondContact O-CB 3.47Å; Y105-E109 PolarHBondContact O-N 3.12Å; Y105-T118 HydrophobicContact CD1-CG2 4.31Å; Y105-T118 WeakPolarHBondContact CD1-O 2.83Å; Y105-T118 WeakPolarHBondContact CE1-O 3.39Å; Y105-F119 HydrophobicContact CD1-CD1 4.27Å; Y105-F119 HydrophobicContact CD2-CD1 4.45Å; Y105-F119 HydrophobicContact CG-CD1 4.07Å; Y105-F119 HydrophobicContact CG-CE1 4.24Å; Y105-N120 PolarHBondContact OH-O 3.5Å; Y105-P133 HydrophobicContact CE1-CG 4.25Å; Y105-P133 HydrophobicContact CE2-CB 3.9Å; Y105-P133 HydrophobicContact CE2-CG 3.93Å
106D89.4Confident83Confident62 Ų6250.6 Ų50.633%0.33227%0.271SS..Hα-helixtrans-58.1-49.1179.7-54.7-16.4000110.7L102 R108 E109 I110L102-D106 PolarHBondContact O-N 2.65Å; D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 2.79Å; D106-E109 PolarHBondContact O-N 2.84Å; D106-I110 VanDerWaalsContact O-CG1 3.29Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.19Å
107D91.3Very high83.9Confident51 Ų5151.1 Ų51.127%0.27327%0.273SS..Hα-helixtrans-58.5-42.9178.1-71.8-20.4000111.8A92 R103 Y105 I110 L111A92-D107 HydrophobicContact CB-CB 3.78Å; R103-D107 VanDerWaalsContact O-CG 3.31Å; R103-D107 PolarHBondContact O-N 2.96Å; R103-D107 VanDerWaalsContact O-N 3.11Å; Y105-D107 PolarHBondContact O-N 2.87Å; D107-I110 PolarHBondContact O-N 2.95Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CD1 3.42Å; D107-L111 WeakPolarHBondContact O-CG 3.38Å; D107-L111 PolarHBondContact O-N 3.16Å
108R91.4Very high85Confident0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-69.6-36.9-178.8-78.3-177.66778-5.2113.5A92 A94 F100 I104 Y105 D106 L111 G112 F113 T117 T118A92-R108 HydrophobicContact CB-CG 4.43Å; A92-R108 VanDerWaalsContact O-CG 3.31Å; A92-R108 WeakPolarHBondContact O-CG 3.47Å; A92-R108 PolarHBondContact O-NH1 3.29Å; A94-R108 PolarHBondContact O-NH1 3.22Å; F100-R108 HydrophobicContact CE2-CG 4.5Å; I104-R108 HydrophobicContact CG2-CG 4.29Å; I104-R108 WeakPolarHBondContact O-CB 3.21Å; I104-R108 WeakPolarHBondContact O-CG 3.38Å; I104-R108 PolarHBondContact O-N 3.36Å; I104-R108 VanDerWaalsContact O-N 3.07Å; Y105-R108 PolarHBondContact O-N 3.3Å; D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 2.79Å; R108-L111 CarbonylContact O-C 3.57Å; R108-L111 PolarHBondContact O-N 3.23Å; R108-G112 PolarHBondContact O-N 3.01Å; R108-F113 HydrophobicContact CB-CB 4.24Å; R108-F113 HydrophobicContact CB-CD2 4.04Å; R108-F113 HydrophobicContact CG-CD2 4Å; R108-F113 WeakPolarHBondContact O-CB 3.44Å; R108-F113 PolarHBondContact O-N 3.29Å; R108-T117 PolarHBondContact NH2-O 2.78Å; R108-T117 PolarHBondContact NH2-OG1 3.19Å; R108-T118 HydrophobicContact CB-CG2 3.61Å; R108-T118 PolarHBondContact NE-OG1 3.38Å
109E89.8Confident85.9Confident35 Ų3550.3 Ų50.316%0.16427%0.269CS..Hα-helixtrans-63.3-46.1174.9-171.9-175.517600110.5Y105 D106 L111 G112 W136 K137 L138Y105-E109 WeakPolarHBondContact O-CB 3.47Å; Y105-E109 PolarHBondContact O-N 3.12Å; D106-E109 PolarHBondContact O-N 2.84Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.41Å; E109-G112 PolarHBondContact O-N 3.36Å; E109-W136 VanDerWaalsContact OE1-C 3.26Å; E109-K137 WeakPolarHBondContact OE1-CA 3.41Å; E109-K137 PolarHBondContact OE1-N 3.01Å; E109-L138 HydrophobicContact CG-CD1 4.35Å; E109-L138 HydrophobicContact CG-CG 4.07Å; E109-L138 WeakPolarHBondContact OE1-CG 3.49Å; E109-L138 PolarHBondContact OE1-N 2.68Å
110I90.5Very high86.9Confident124 Ų12450.3 Ų50.364%0.63627%0.269SS*.Hα-helixtrans-60.9-39174.1-67.4165.6000111.4D106 D107 G112D106-I110 VanDerWaalsContact O-CG1 3.29Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.19Å; D107-I110 PolarHBondContact O-N 2.95Å; I110-G112 PolarHBondContact O-N 2.96Å
111L91.1Very high87.5Confident73 Ų7351.3 Ų51.338%0.38228%0.277SS..THydrogen-bonded Turntrans-73.9-1.5176.2-68.2168.6000113.8W89 A92 D107 R108 E109 F113W89-L111 HydrophobicContact CZ3-CD1 4.16Å; A92-L111 HydrophobicContact CB-CD1 4.17Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CD1 3.42Å; D107-L111 WeakPolarHBondContact O-CG 3.38Å; D107-L111 PolarHBondContact O-N 3.16Å; R108-L111 CarbonylContact O-C 3.57Å; R108-L111 PolarHBondContact O-N 3.23Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.41Å; L111-F113 HydrophobicContact CB-CD2 3.78Å; L111-F113 HydrophobicContact CB-CE2 3.83Å; L111-F113 HydrophobicContact CD1-CD2 4.45Å; L111-F113 HydrophobicContact CD1-CE2 3.97Å
112G89.3Confident88Confident66 Ų6650.8 Ų50.868%0.6827%0.272SS*.THydrogen-bonded Turntrans77.420176.700000114.9R108 E109 I110R108-G112 PolarHBondContact O-N 3.01Å; E109-G112 PolarHBondContact O-N 3.36Å; I110-G112 PolarHBondContact O-N 2.96Å
113F90Very high88.3Confident57 Ų5745.8 Ų45.825%0.2525%0.246CC..  trans-71140.8174-73.4-76.1000111.6A92 R108 L111 S115A92-F113 WeakPolarHBondContact O-CE2 3.41Å; R108-F113 HydrophobicContact CB-CB 4.24Å; R108-F113 HydrophobicContact CB-CD2 4.04Å; R108-F113 HydrophobicContact CG-CD2 4Å; R108-F113 WeakPolarHBondContact O-CB 3.44Å; R108-F113 PolarHBondContact O-N 3.29Å; L111-F113 HydrophobicContact CB-CD2 3.78Å; L111-F113 HydrophobicContact CB-CE2 3.83Å; L111-F113 HydrophobicContact CD1-CD2 4.45Å; L111-F113 HydrophobicContact CD1-CE2 3.97Å; F113-S115 PolarHBondContact O-N 3.27Å
114H87.7Confident88.3Confident127 Ų12738.2 Ų38.259%0.58822%0.218SC*.  trans-61.9137.3-178.8-169.7-96.2000112.1S116 T117 T118H114-S116 PolarHBondContact CE1-OG 2.96Å; H114-S116 WeakPolarHBondContact ND1-CB 3.5Å; H114-S116 PolarHBondContact ND1-N 2.9Å; H114-S116 PolarHBondContact ND1-OG 3.45Å; H114-S116 PolarHBondContact O-N 3.29Å; H114-S116 VanDerWaalsContact O-N 3.13Å; H114-T117 PolarHBondContact O-N 3.28Å; H114-T117 PolarHBondContact O-OG1 2.89Å; H114-T118 PolarHBondContact O-N 3.36Å; H114-T118 PolarHBondContact O-OG1 3.45Å
115S86.4Confident87.9Confident18 Ų1841.9 Ų41.913%0.12624%0.24CC..Hα-helixtrans-57.4-34-173.271.70000113.3F113 T117 T118 F119 Q135 K137F113-S115 PolarHBondContact O-N 3.27Å; S115-T117 PolarHBondContact O-N 3.21Å; S115-T118 PolarHBondContact O-N 3.38Å; S115-T118 VanDerWaalsContact O-N 3.11Å; S115-F119 WeakPolarHBondContact O-CD2 3.35Å; S115-F119 PolarHBondContact O-N 2.87Å; S115-F119 VanDerWaalsContact O-N 3.09Å; S115-Q135 PolarHBondContact OG-OE1 3.33Å; S115-K137 WeakPolarHBondContact OG-CE 3.3Å
116S83.8Confident87.5Confident62 Ų6244.9 Ų44.943%0.43428%0.276SS..Hα-helixtrans-61-24.4175.670.70000113.6H114 N120H114-S116 PolarHBondContact CE1-OG 2.96Å; H114-S116 WeakPolarHBondContact ND1-CB 3.5Å; H114-S116 PolarHBondContact ND1-N 2.9Å; H114-S116 PolarHBondContact ND1-OG 3.45Å; H114-S116 PolarHBondContact O-N 3.29Å; H114-S116 VanDerWaalsContact O-N 3.13Å; S116-N120 PolarHBondContact O-ND2 3.25Å; S116-N120 VanDerWaalsContact O-ND2 3.12Å
117T84.8Confident87.1Confident27 Ų2746 Ų4617%0.16628%0.28CS..Hα-helixtrans-102.5-6.3178.170.40000114E97 R108 H114 S115E97-T117 HydrophobicContact CG-CG2 4.11Å; R108-T117 PolarHBondContact NH2-O 2.78Å; R108-T117 PolarHBondContact NH2-OG1 3.19Å; H114-T117 PolarHBondContact O-N 3.28Å; H114-T117 PolarHBondContact O-OG1 2.89Å; S115-T117 PolarHBondContact O-N 3.21Å
118T85.7Confident86.4Confident1 Ų152 Ų521%0.00631%0.306CS..Hα-helixtrans-99.5-52.8-175.1-64.60000110.7Y105 R108 H114 S115 N120Y105-T118 HydrophobicContact CD1-CG2 4.31Å; Y105-T118 WeakPolarHBondContact CD1-O 2.83Å; Y105-T118 WeakPolarHBondContact CE1-O 3.39Å; R108-T118 HydrophobicContact CB-CG2 3.61Å; R108-T118 PolarHBondContact NE-OG1 3.38Å; H114-T118 PolarHBondContact O-N 3.36Å; H114-T118 PolarHBondContact O-OG1 3.45Å; S115-T118 PolarHBondContact O-N 3.38Å; S115-T118 VanDerWaalsContact O-N 3.11Å; T118-N120 PolarHBondContact O-N 2.89Å; T118-N120 VanDerWaalsContact O-N 3.16Å
119F84.2Confident86Confident11 Ų1159.4 Ų59.45%0.04835%0.346CS..SBendtrans-90.979.8-172-60.6-76.1000111.5Y105 S115 P133 A134 Q135 W136Y105-F119 HydrophobicContact CD1-CD1 4.27Å; Y105-F119 HydrophobicContact CD2-CD1 4.45Å; Y105-F119 HydrophobicContact CG-CD1 4.07Å; Y105-F119 HydrophobicContact CG-CE1 4.24Å; S115-F119 WeakPolarHBondContact O-CD2 3.35Å; S115-F119 PolarHBondContact O-N 2.87Å; S115-F119 VanDerWaalsContact O-N 3.09Å; F119-P133 HydrophobicContact CB-CG 4.02Å; F119-A134 WeakPolarHBondContact CD1-O 3.26Å; F119-Q135 HydrophobicContact CB-CG 4.08Å; F119-Q135 HydrophobicContact CD2-CB 3.99Å; F119-Q135 HydrophobicContact CD2-CG 3.76Å; F119-Q135 HydrophobicContact CE2-CB 4.24Å; F119-Q135 HydrophobicContact CE2-CG 4.48Å; F119-Q135 HydrophobicContact CG-CB 4.35Å; F119-Q135 HydrophobicContact CG-CG 3.98Å; F119-W136 WeakPolarHBondContact CZ-O 3.31Å
120N86Confident85.7Confident13 Ų1359.2 Ų59.27%0.0735%0.348CS..  trans-134132.8175.7-68.2-80000111.3K31 E97 T99 F100 Y105 S116 T118 Q132K31-N120 PolarHBondContact NZ-OD1 3.45Å; E97-N120 PolarHBondContact OE1-ND2 2.85Å; E97-N120 PolarHBondContact OE1-OD1 3.21Å; T99-N120 WeakPolarHBondContact CA-O 3.44Å; F100-N120 PolarHBondContact N-O 3.36Å; F100-N120 VanDerWaalsContact N-O 3.13Å; Y105-N120 PolarHBondContact OH-O 3.5Å; S116-N120 PolarHBondContact O-ND2 3.25Å; S116-N120 VanDerWaalsContact O-ND2 3.12Å; T118-N120 PolarHBondContact O-N 2.89Å; T118-N120 VanDerWaalsContact O-N 3.16Å; N120-Q132 VanDerWaalsContact CA-OE1 3.3Å
121S87.9Confident85.4Confident32 Ų3262.1 Ų62.122%0.22436%0.358CS..  trans-117.9157.2177.260.60000112P133S121-P133 WeakPolarHBondContact OG-CD 3.27Å
122F89.5Confident85.2Confident21 Ų2162 Ų629%0.09236%0.356CS..  trans-77.4134.8172.9-83.4-64.8000106.5V3 L5 P19 A24 Q27 I28 T99V3-F122 HydrophobicContact CB-CE2 4.46Å; V3-F122 HydrophobicContact CB-CZ 4.1Å; V3-F122 HydrophobicContact CG1-CZ 4.32Å; L5-F122 HydrophobicContact CB-CE2 4.08Å; L5-F122 HydrophobicContact CD1-CD2 3.85Å; L5-F122 HydrophobicContact CD1-CE2 3.9Å; P19-F122 HydrophobicContact CB-CB 4.48Å; P19-F122 HydrophobicContact CG-CB 3.67Å; P19-F122 HydrophobicContact CG-CD1 4.16Å; P19-F122 HydrophobicContact CG-CD2 4.31Å; P19-F122 HydrophobicContact CG-CG 3.79Å; A24-F122 HydrophobicContact CB-CE1 4.24Å; Q27-F122 HydrophobicContact CB-CD1 4.21Å; Q27-F122 HydrophobicContact CB-CE1 4.3Å; I28-F122 HydrophobicContact CD1-CE1 4.27Å; I28-F122 HydrophobicContact CD1-CZ 4.02Å; I28-F122 HydrophobicContact CG1-CE1 3.82Å; I28-F122 HydrophobicContact CG1-CZ 3.92Å; T99-F122 VanDerWaalsContact CB-CE2 3.44Å; T99-F122 HydrophobicContact CG2-CB 3.91Å; T99-F122 HydrophobicContact CG2-CD1 4.14Å; T99-F122 HydrophobicContact CG2-CD2 3.15Å; T99-F122 HydrophobicContact CG2-CE1 4.45Å; T99-F122 HydrophobicContact CG2-CE2 3.53Å; T99-F122 HydrophobicContact CG2-CG 3.47Å; T99-F122 VanDerWaalsContact CG2-CG 3.47Å; T99-F122 HydrophobicContact CG2-CZ 4.17Å
123C89.8Confident85Confident5 Ų560.5 Ų60.53%0.03433%0.334CS..  trans-72.7145.9169.3-62.70000111P19 Q27 Q127 C130P19-C123 WeakPolarHBondContact CB-O 3.31Å; Q27-C123 PolarHBondContact NE2-O 3.49Å; C123-Q127 HydrophobicContact CB-CB 3.89Å; C123-Q127 WeakPolarHBondContact CB-O 3.37Å; C123-C130 WeakPolarHBondContact CA-SG 3.25Å; C123-C130 HydrophobicContact CB-CB 3.69Å; C123-C130 WeakPolarHBondContact CB-SG 3.42Å; C123-C130 WeakPolarHBondContact SG-CB 3.35Å; C123-C130 PolarHBondContact SG-N 3.33Å; C123-C130 CovalentContact SG-SG 2.05Å; C123-C130 PolarHBondContact SG-SG 2.91Å
124G87.1Confident84.8Confident1 Ų160.9 Ų60.91%0.0135%0.348CS..  trans-60.7175.117900000113.4N16 G126 Q127N16-G124 WeakPolarHBondContact O-CA 3.21Å; G124-G126 PolarHBondContact O-N 3.43Å; G124-Q127 PolarHBondContact O-N 2.96Å; G124-Q127 VanDerWaalsContact O-N 3.16Å
125T81.4Confident84.6Confident77 Ų7759.9 Ų59.947%0.47234%0.344SS..THydrogen-bonded Turntrans-62.6124.7176.6-63.30000110.3T18 T20 Q127T18-T125 PolarHBondContact O-OG1 2.93Å; T18-T125 VanDerWaalsContact O-OG1 3.12Å; T20-T125 HydrophobicContact CG2-CG2 3.84Å; T20-T125 PolarHBondContact N-OG1 3.19Å; T125-Q127 VanDerWaalsContact C-N 3.33Å
126G80.5Confident84.2Confident79 Ų7967.2 Ų67.281%0.81437%0.369SS*.THydrogen-bonded Turntrans840.1-179.500000115.3G124G124-G126 PolarHBondContact O-N 3.43Å
127Q81.1Confident83.9Confident87 Ų8770.4 Ų70.441%0.40738%0.375SS..  trans-101.8130.4176.5-65.2177.9-26.900110.2C123 G124 T125 C130C123-Q127 HydrophobicContact CB-CB 3.89Å; C123-Q127 WeakPolarHBondContact CB-O 3.37Å; G124-Q127 PolarHBondContact O-N 2.96Å; G124-Q127 VanDerWaalsContact O-N 3.16Å; T125-Q127 VanDerWaalsContact C-N 3.33Å; Q127-C130 HydrophobicContact CB-CB 4.43Å
128Q76.2Confident83.5Confident176 Ų17674.9 Ų74.982%0.82240%0.397SS*.SBendtrans-94.9-44171.5-65.8-17116.100111
129D82.6Confident83.1Confident156 Ų15681.6 Ų81.683%0.83444%0.437SS*.SBendtrans-116.8129.2171.9-64-47.6000108.9
130C84.4Confident82.1Confident30 Ų3093.3 Ų93.320%0.20349%0.492CS..  trans-140.1160.3-178.562.60000109.7C123 Q127 Q132C123-C130 WeakPolarHBondContact CA-SG 3.25Å; C123-C130 HydrophobicContact CB-CB 3.69Å; C123-C130 WeakPolarHBondContact CB-SG 3.42Å; C123-C130 WeakPolarHBondContact SG-CB 3.35Å; C123-C130 PolarHBondContact SG-N 3.33Å; C123-C130 CovalentContact SG-SG 2.05Å; C123-C130 PolarHBondContact SG-SG 2.91Å; Q127-C130 HydrophobicContact CB-CB 4.43Å; C130-Q132 PolarHBondContact O-N 2.8Å; C130-Q132 VanDerWaalsContact O-N 3.14Å; C130-Q132 PolarHBondContact O-NE2 2.76Å; C130-Q132 PolarHBondContact SG-NE2 3.21Å
131E84.4Confident81.9Confident185 Ų18597.3 Ų97.386%0.86451%0.513SS*.PPolyproline II helixtrans-57.8120.2176.5-170.5176-173.600110.5
132Q87.2Confident81.5Confident71 Ų71100.7 Ų100.733%0.33253%0.529SS..PPolyproline II helixtrans-80152.7175.5-65.4-55.5-63.400109.7N120 C130N120-Q132 VanDerWaalsContact CA-OE1 3.3Å; C130-Q132 PolarHBondContact O-N 2.8Å; C130-Q132 VanDerWaalsContact O-N 3.14Å; C130-Q132 PolarHBondContact O-NE2 2.76Å; C130-Q132 PolarHBondContact SG-NE2 3.21Å
133P84.9Confident81.1Confident34 Ų34105.2 Ų105.222%0.22155%0.553CS.*PPolyproline II helixtrans-57143.8-179.925.6-36.7000111.2Y105 F119 S121 Q135Y105-P133 HydrophobicContact CE1-CG 4.25Å; Y105-P133 HydrophobicContact CE2-CB 3.9Å; Y105-P133 HydrophobicContact CE2-CG 3.93Å; F119-P133 HydrophobicContact CB-CG 4.02Å; S121-P133 WeakPolarHBondContact OG-CD 3.27Å; P133-Q135 PolarHBondContact O-N 3.34Å
134A84.9Confident80.6Confident65 Ų65111.1 Ų111.154%0.53758%0.583SS.*PPolyproline II helixtrans-53.6137.2172.700000110.5F119 W136F119-A134 WeakPolarHBondContact CD1-O 3.26Å; A134-W136 VanDerWaalsContact O-CD1 3.23Å; A134-W136 PolarHBondContact O-N 3.07Å
135Q84.4Confident80.2Confident107 Ų107117.9 Ų117.950%0.562%0.619SS.*  trans-81.3102.2175.6-60.9-173.218.700108.7S115 F119 P133 K137S115-Q135 PolarHBondContact OG-OE1 3.33Å; F119-Q135 HydrophobicContact CB-CG 4.08Å; F119-Q135 HydrophobicContact CD2-CB 3.99Å; F119-Q135 HydrophobicContact CD2-CG 3.76Å; F119-Q135 HydrophobicContact CE2-CB 4.24Å; F119-Q135 HydrophobicContact CE2-CG 4.48Å; F119-Q135 HydrophobicContact CG-CB 4.35Å; F119-Q135 HydrophobicContact CG-CG 3.98Å; P133-Q135 PolarHBondContact O-N 3.34Å; Q135-K137 VanDerWaalsContact OE1-CE 3.22Å
136W77.6Confident80.1Confident172 Ų172120.7 Ų120.765%0.65263%0.629SS**  trans-81.9116.5166-59.682.1000105.6E109 F119 A134E109-W136 VanDerWaalsContact OE1-C 3.26Å; F119-W136 WeakPolarHBondContact CZ-O 3.31Å; A134-W136 VanDerWaalsContact O-CD1 3.23Å; A134-W136 PolarHBondContact O-N 3.07Å
137K78.3Confident80.1Confident129 Ų129123.6 Ų123.656%0.56162%0.616SS**  trans-113.5133.3176.2-67.5-177.4-177.6178.70107.3E109 S115 Q135 V139E109-K137 WeakPolarHBondContact OE1-CA 3.41Å; E109-K137 PolarHBondContact OE1-N 3.01Å; S115-K137 WeakPolarHBondContact OG-CE 3.3Å; Q135-K137 VanDerWaalsContact OE1-CE 3.22Å; K137-V139 PolarHBondContact O-N 3.28Å
138L75.9Confident80Confident121 Ų121126.5 Ų126.563%0.63463%0.632SS**  trans-60.3109.1169.2-71.6175.7000105.1E109 Q140E109-L138 HydrophobicContact CG-CD1 4.35Å; E109-L138 HydrophobicContact CG-CG 4.07Å; E109-L138 WeakPolarHBondContact OE1-CG 3.49Å; E109-L138 PolarHBondContact OE1-N 2.68Å; L138-Q140 PolarHBondContact O-N 3.18Å
139V76Confident80.3Confident141 Ų141122.3 Ų122.386%0.85562%0.616SS**  trans-73.1118.6173.3-164.60000105.6K137K137-V139 PolarHBondContact O-N 3.28Å
140Q63.2Low80.1Confident257 Ų257119.3 Ų119.3100%1.20160%0.596SS**  trans-76.70169.3-75.2-173.4-23.500110.5L138L138-Q140 PolarHBondContact O-N 3.18Å

Retrieved 140 of 140 residues in 968.6 ms (Link to these results)

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