A0A096N773_PAPAN Loading...

Organic solute carrier partner 1

AlphaFold DB (F6TUG2), UniProt , Accession A0A096N773, Species PAPAN (Papio anubis, Olive baboon), Gene OSCP1, Length 379 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
1M75.1Confident93.7Very high138 Ų13829.5 Ų29.568%0.6815%0.146SC*.  0150.30-68.8-97.3-91.400107.9T161 I164M1-T161 HydrophobicContact CB-CG2 4.36Å; M1-T161 HydrophobicContact CE-CG2 4.12Å; M1-T161 HydrophobicContact SD-CG2 3.86Å; M1-I164 HydrophobicContact CE-CG2 4.22Å; M1-I164 HydrophobicContact SD-CB 4.48Å; M1-I164 HydrophobicContact SD-CD1 3.7Å; M1-I164 HydrophobicContact SD-CG2 4.33Å
2S88.6Confident94.1Very high20 Ų2027 Ų2714%0.1413%0.134CC..  trans-84.4129.4179.9171.60000111.5R4 T5 I158 T161S2-R4 PolarHBondContact O-N 3.39Å; S2-R4 PolarHBondContact OG-N 3.01Å; S2-T5 WeakPolarHBondContact CB-OG1 3.46Å; S2-T5 PolarHBondContact O-OG1 3.43Å; S2-I158 VanDerWaalsContact OG-CG1 3.29Å; S2-I158 WeakPolarHBondContact OG-CG1 3.25Å; S2-T161 PolarHBondContact N-OG1 3.44Å
3V91.1Very high94.5Very high67 Ų6724.9 Ų24.941%0.40612%0.124SC..THydrogen-bonded Turntrans-80.72176.5-620000113.8P58 Q59V3-P58 HydrophobicContact CB-CB 4.23Å; V3-P58 HydrophobicContact CG2-CB 3.85Å; V3-P58 CarbonylContact O-C 3.56Å; V3-P58 WeakPolarHBondContact O-CA 3.39Å; V3-Q59 CarbonylContact C-O 3.51Å; V3-Q59 VanDerWaalsContact C-O 3.32Å; V3-Q59 VanDerWaalsContact CA-O 3.25Å; V3-Q59 WeakPolarHBondContact CA-O 3.21Å; V3-Q59 PolarHBondContact O-N 3.43Å
4R94.2Very high94.7Very high94 Ų9423.1 Ų23.136%0.35512%0.115SC..THydrogen-bonded Turntrans-111.921.2177.3-62.7179.9179.2150.8-2.6111.6S2 Y147 E154S2-R4 PolarHBondContact O-N 3.39Å; S2-R4 PolarHBondContact OG-N 3.01Å; R4-Y147 HydrophobicContact CB-CE1 4.28Å; R4-Y147 WeakPolarHBondContact O-CE1 3.01Å; R4-Y147 PolarHBondContact O-OH 3Å; R4-E154 IonicContact NH1-OE1 3.84Å; R4-E154 PolarHBondContact NH1-OE1 3.38Å
5T96.7Very high94.9Very high0 Ų021.6 Ų21.60%011%0.107CC..  trans-87.8-30.6-175.7-500000112.3S2 L8 L9 L61 I158 T161 L162S2-T5 WeakPolarHBondContact CB-OG1 3.46Å; S2-T5 PolarHBondContact O-OG1 3.43Å; T5-L8 PolarHBondContact O-N 2.94Å; T5-L9 PolarHBondContact O-N 2.87Å; T5-L61 HydrophobicContact CG2-CD1 4.2Å; T5-L61 HydrophobicContact CG2-CD2 3.95Å; T5-L61 HydrophobicContact CG2-CG 4.4Å; T5-I158 HydrophobicContact CG2-CG2 4.3Å; T5-T161 HydrophobicContact CG2-CG2 3.93Å; T5-T161 WeakPolarHBondContact OG1-CB 3.39Å; T5-T161 WeakPolarHBondContact OG1-CG2 3.2Å; T5-L162 HydrophobicContact CG2-CD2 3.52Å; T5-L162 HydrophobicContact CG2-CG 3.58Å
6L95.8Very high95.1Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-60.8-44.5-170-178.567.1000114.1L8 L9 F10 L55 Q59 L61 Y62L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.01Å; L6-F10 WeakPolarHBondContact O-CB 3.21Å; L6-F10 PolarHBondContact O-N 3.24Å; L6-L55 HydrophobicContact CD2-CD1 3.86Å; L6-L55 HydrophobicContact CG-CD1 3.81Å; L6-Q59 HydrophobicContact CB-CG 4.47Å; L6-Q59 VanDerWaalsContact CD2-CD 3.49Å; L6-Q59 HydrophobicContact CD2-CG 3.64Å; L6-L61 HydrophobicContact CB-CD2 3.91Å; L6-L61 HydrophobicContact CD1-CD2 4.1Å; L6-Y62 HydrophobicContact CD1-CD2 3.8Å; L6-Y62 HydrophobicContact CD1-CE2 3.91Å; L6-Y62 HydrophobicContact CD1-CG 4.23Å; L6-Y62 HydrophobicContact CD2-CD1 4.43Å; L6-Y62 HydrophobicContact CD2-CD2 4.24Å; L6-Y62 HydrophobicContact CD2-CE1 3.82Å; L6-Y62 HydrophobicContact CD2-CE2 3.61Å; L6-Y62 WeakPolarHBondContact CD2-OH 3.31Å; L6-Y62 HydrophobicContact CG-CE2 4.32Å
7P97.4Very high95.2Very high3 Ų319.1 Ų19.12%0.01910%0.095CC..Hα-helixtrans-60.1-42178.9-24.134.2000112.5F10 L11 L55 F56 Y147P7-F10 PolarHBondContact O-N 3.28Å; P7-L11 WeakPolarHBondContact O-CB 3.44Å; P7-L11 WeakPolarHBondContact O-CG 3.38Å; P7-L11 PolarHBondContact O-N 3.15Å; P7-L55 HydrophobicContact CB-CD2 4.48Å; P7-L55 HydrophobicContact CB-CG 4.47Å; P7-L55 HydrophobicContact CG-CG 4.45Å; P7-L55 WeakPolarHBondContact CG-O 3.35Å; P7-F56 HydrophobicContact CB-CD1 3.94Å; P7-F56 HydrophobicContact CB-CD2 4.5Å; P7-F56 HydrophobicContact CB-CE1 3.76Å; P7-F56 HydrophobicContact CB-CE2 4.3Å; P7-F56 HydrophobicContact CB-CG 4.35Å; P7-F56 HydrophobicContact CB-CZ 3.95Å; P7-F56 HydrophobicContact CG-CD1 3.88Å; P7-F56 HydrophobicContact CG-CE1 4.23Å; P7-F56 HydrophobicContact CG-CG 4.15Å; P7-Y147 WeakPolarHBondContact CB-OH 3.48Å; P7-Y147 WeakPolarHBondContact CG-OH 3.41Å
8L98.2Very high95.4Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-65.2-46.7176.5-59.9179.4000110.7T5 L6 F10 L11 N12 V111 L112 T115 L143 Y147 I158T5-L8 PolarHBondContact O-N 2.94Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.91Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-N12 WeakPolarHBondContact O-CB 3.2Å; L8-N12 PolarHBondContact O-N 2.93Å; L8-N12 VanDerWaalsContact O-N 3.07Å; L8-N12 PolarHBondContact O-ND2 3.3Å; L8-V111 HydrophobicContact CD1-CG1 4.28Å; L8-L112 HydrophobicContact CD2-CD1 4Å; L8-T115 HydrophobicContact CD2-CG2 4.23Å; L8-L143 HydrophobicContact CD2-CD2 3.8Å; L8-Y147 HydrophobicContact CD1-CD1 4.03Å; L8-Y147 HydrophobicContact CD1-CE1 3.58Å; L8-Y147 HydrophobicContact CD2-CE1 4.2Å; L8-Y147 HydrophobicContact CG-CD1 4.47Å; L8-Y147 HydrophobicContact CG-CE1 3.76Å; L8-I158 HydrophobicContact CD1-CG2 3.74Å
9L98.1Very high95.4Very high0 Ų017.1 Ų17.10%09%0.085CC..Hα-helixtrans-57.4-46.4177.6179.161.8000111.7T5 L6 L13 L61 L67 F98 L162 F165 F166T5-L9 PolarHBondContact O-N 2.87Å; L6-L9 PolarHBondContact O-N 3.01Å; L9-L13 HydrophobicContact CD1-CD1 3.66Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.19Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-L13 VanDerWaalsContact O-N 3.16Å; L9-L61 HydrophobicContact CB-CD2 4.43Å; L9-L61 HydrophobicContact CD2-CD1 4.1Å; L9-L61 HydrophobicContact CD2-CD2 3.85Å; L9-L67 HydrophobicContact CD2-CD2 3.75Å; L9-L67 HydrophobicContact CG-CD2 4.07Å; L9-F98 HydrophobicContact CD1-CD1 4.13Å; L9-F98 HydrophobicContact CD1-CE1 3.95Å; L9-L162 HydrophobicContact CB-CD2 3.92Å; L9-L162 HydrophobicContact CD1-CD2 4Å; L9-L162 HydrophobicContact CG-CD2 4.47Å; L9-F165 HydrophobicContact CD1-CD1 3.97Å; L9-F165 HydrophobicContact CD1-CE1 3.96Å; L9-F165 HydrophobicContact CD2-CD1 4.07Å; L9-F165 HydrophobicContact CD2-CD2 4.04Å; L9-F165 HydrophobicContact CD2-CE1 4.03Å; L9-F165 HydrophobicContact CD2-CE2 3.99Å; L9-F165 HydrophobicContact CD2-CG 4.09Å; L9-F165 HydrophobicContact CD2-CZ 3.99Å; L9-F166 HydrophobicContact CD1-CE1 4.41Å; L9-F166 HydrophobicContact CD1-CE2 4.16Å; L9-F166 HydrophobicContact CD1-CZ 3.57Å
10F97.8Very high95.4Very high1 Ų116.5 Ų16.50%0.0048%0.082CC..Hα-helixtrans-67.1-49-178.8-178.3-91.1000112.1L6 P7 L8 N12 L13 G14 M46 F51 M52 L55 L67 V70 Y71 L74L6-F10 WeakPolarHBondContact O-CB 3.21Å; L6-F10 PolarHBondContact O-N 3.24Å; P7-F10 PolarHBondContact O-N 3.28Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.91Å; F10-N12 PolarHBondContact O-N 3.31Å; F10-L13 PolarHBondContact O-N 3.39Å; F10-G14 PolarHBondContact O-N 3.18Å; F10-M46 HydrophobicContact CD1-CE 4.23Å; F10-M46 HydrophobicContact CE1-CE 3.92Å; F10-M46 HydrophobicContact CE1-CG 3.65Å; F10-M46 HydrophobicContact CZ-CG 4Å; F10-F51 HydrophobicContact CD1-CE1 4.31Å; F10-F51 HydrophobicContact CD2-CZ 4.43Å; F10-F51 AromaticContact CE1-CE1 3.59Å; F10-F51 HydrophobicContact CE1-CE1 3.59Å; F10-F51 HydrophobicContact CE1-CZ 4.29Å; F10-F51 AromaticContact CE2-CE1 3.94Å; F10-F51 HydrophobicContact CE2-CE1 3.94Å; F10-F51 AromaticContact CE2-CZ 3.82Å; F10-F51 HydrophobicContact CE2-CZ 3.82Å; F10-F51 HydrophobicContact CZ-CD1 4.48Å; F10-F51 AromaticContact CZ-CE1 3.36Å; F10-F51 HydrophobicContact CZ-CE1 3.36Å; F10-F51 AromaticContact CZ-CZ 3.73Å; F10-F51 HydrophobicContact CZ-CZ 3.73Å; F10-M52 HydrophobicContact CD1-CE 4.28Å; F10-M52 HydrophobicContact CE1-CE 3.86Å; F10-L55 HydrophobicContact CB-CD1 4.03Å; F10-L55 HydrophobicContact CB-CD2 4.12Å; F10-L55 HydrophobicContact CD1-CD1 4.45Å; F10-L55 HydrophobicContact CD1-CD2 3.56Å; F10-L55 HydrophobicContact CE1-CD2 4.23Å; F10-L55 HydrophobicContact CG-CD1 4.08Å; F10-L55 HydrophobicContact CG-CD2 3.99Å; F10-L67 HydrophobicContact CD2-CD1 4.43Å; F10-V70 HydrophobicContact CE2-CG1 3.9Å; F10-Y71 VanDerWaalsContact CA-OH 3.32Å; F10-Y71 WeakPolarHBondContact CA-OH 3.47Å; F10-Y71 HydrophobicContact CE2-CE1 4.5Å; F10-Y71 PolarHBondContact O-OH 3.09Å; F10-L74 HydrophobicContact CE2-CD1 3.82Å; F10-L74 HydrophobicContact CZ-CD1 3.65Å
11L98.4Very high95.4Very high1 Ų115.7 Ų15.71%0.0058%0.078CC..Hα-helixtrans-65.8-41.3-176.8-67.9173.4000112.5P7 L8 G14 G15 M46 F47 M52 F56 T115 L119 T139 L143P7-L11 WeakPolarHBondContact O-CB 3.44Å; P7-L11 WeakPolarHBondContact O-CG 3.38Å; P7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.02Å; L11-G14 PolarHBondContact O-N 3.43Å; L11-G15 PolarHBondContact O-N 3.26Å; L11-M46 HydrophobicContact CD2-CE 3.86Å; L11-F47 HydrophobicContact CD2-CE1 3.75Å; L11-F47 HydrophobicContact CD2-CZ 3.96Å; L11-M52 HydrophobicContact CD2-CE 3.88Å; L11-M52 HydrophobicContact CD2-SD 4.43Å; L11-F56 HydrophobicContact CD1-CZ 4.18Å; L11-T115 HydrophobicContact CB-CG2 3.93Å; L11-T115 HydrophobicContact CD1-CG2 4.15Å; L11-L119 HydrophobicContact CD2-CD2 4.5Å; L11-T139 HydrophobicContact CD1-CG2 3.85Å; L11-T139 HydrophobicContact CD2-CG2 4.17Å; L11-L143 HydrophobicContact CD1-CD1 3.78Å; L11-L143 HydrophobicContact CD1-CD2 4.14Å; L11-L143 HydrophobicContact CD1-CG 4.26Å
12N98.6Very high96.3Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-68.6-43.4179.1-67.3-64.9000111.8L8 F10 G15 E16 F98 T115 H118L8-N12 WeakPolarHBondContact O-CB 3.2Å; L8-N12 PolarHBondContact O-N 2.93Å; L8-N12 VanDerWaalsContact O-N 3.07Å; L8-N12 PolarHBondContact O-ND2 3.3Å; F10-N12 PolarHBondContact O-N 3.31Å; N12-G15 PolarHBondContact O-N 2.99Å; N12-E16 WeakPolarHBondContact O-CG 3.48Å; N12-E16 PolarHBondContact O-N 3.13Å; N12-F98 HydrophobicContact CB-CD1 3.83Å; N12-F98 HydrophobicContact CB-CD2 3.52Å; N12-F98 HydrophobicContact CB-CE1 3.7Å; N12-F98 HydrophobicContact CB-CE2 3.33Å; N12-F98 HydrophobicContact CB-CG 3.8Å; N12-F98 HydrophobicContact CB-CZ 3.46Å; N12-F98 VanDerWaalsContact CB-CZ 3.46Å; N12-F98 VanDerWaalsContact CG-CZ 3.47Å; N12-F98 WeakPolarHBondContact ND2-CE2 3.49Å; N12-F98 WeakPolarHBondContact ND2-CZ 3.25Å; N12-T115 PolarHBondContact ND2-OG1 3.41Å; N12-T115 WeakPolarHBondContact OD1-CA 3.32Å; N12-T115 PolarHBondContact OD1-N 3.47Å; N12-T115 PolarHBondContact OD1-OG1 2.89Å; N12-H118 PolarHBondContact OD1-ND1 3.48Å
13L98.3Very high96.3Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-64.4-40.9175.8-74.2177.4000111.4L9 F10 G15 E16 M17 L67 Y71 M94 T95 F98L9-L13 HydrophobicContact CD1-CD1 3.66Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.19Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-L13 VanDerWaalsContact O-N 3.16Å; F10-L13 PolarHBondContact O-N 3.39Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 2.6Å; L13-E16 PolarHBondContact O-N 3.11Å; L13-M17 PolarHBondContact O-N 3.43Å; L13-L67 HydrophobicContact CD1-CD2 3.67Å; L13-Y71 HydrophobicContact CB-CE1 4.34Å; L13-Y71 HydrophobicContact CB-CE2 3.91Å; L13-Y71 WeakPolarHBondContact CB-OH 3.33Å; L13-Y71 HydrophobicContact CD1-CE2 3.96Å; L13-M94 HydrophobicContact CB-CE 4.11Å; L13-M94 HydrophobicContact CD2-CB 4.06Å; L13-M94 WeakPolarHBondContact CD2-O 3.23Å; L13-M94 WeakPolarHBondContact O-CE 3.01Å; L13-T95 HydrophobicContact CD2-CG2 4.14Å; L13-F98 HydrophobicContact CD2-CB 3.98Å; L13-F98 HydrophobicContact CD2-CD1 4.2Å; L13-F98 HydrophobicContact CG-CD1 4.18Å
14G97.8Very high96.3Very high0 Ų010.7 Ų10.70%04%0.044CC..Hα-helixtrans-63.4-36173.700000113.2F10 L11 M17 L18 Y71F10-G14 PolarHBondContact O-N 3.18Å; L11-G14 PolarHBondContact O-N 3.43Å; G14-M17 WeakPolarHBondContact O-CB 3.39Å; G14-M17 PolarHBondContact O-N 3.06Å; G14-L18 WeakPolarHBondContact O-CG 3.4Å; G14-L18 PolarHBondContact O-N 3.41Å; G14-Y71 PolarHBondContact N-OH 2.66Å
15G97.9Very high96.2Very high0 Ų06.3 Ų6.30%03%0.027CC..Hα-helixtrans-60.4-48.5170.500000112.7L11 N12 L13 M17 L18 Y19L11-G15 PolarHBondContact O-N 3.26Å; N12-G15 PolarHBondContact O-N 2.99Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 2.6Å; G15-M17 VanDerWaalsContact C-N 3.31Å; G15-M17 PolarHBondContact O-N 3.37Å; G15-L18 PolarHBondContact O-N 3.36Å; G15-Y19 WeakPolarHBondContact O-CD1 3.36Å; G15-Y19 PolarHBondContact O-N 3.29Å
16E97.9Very high95.8Very high0 Ų013.7 Ų13.70%06%0.055CC..Hα-helixtrans-60-40.6174.2-66.6-54.5141.100112.2N12 L13 L18 Y19 I20 M94 A97 F98 Q101 H118 Y251N12-E16 WeakPolarHBondContact O-CG 3.48Å; N12-E16 PolarHBondContact O-N 3.13Å; L13-E16 PolarHBondContact O-N 3.11Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 3.23Å; E16-Y19 PolarHBondContact O-N 3.27Å; E16-I20 WeakPolarHBondContact O-CD1 3.49Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.43Å; E16-I20 PolarHBondContact O-N 2.91Å; E16-M94 HydrophobicContact CB-CB 4.14Å; E16-M94 HydrophobicContact CB-CG 4.08Å; E16-A97 HydrophobicContact CG-CB 4.15Å; E16-F98 HydrophobicContact CG-CB 4.37Å; E16-Q101 PolarHBondContact OE1-NE2 3.41Å; E16-H118 IonicContact OE1-CD2 3.25Å; E16-H118 IonicContact OE1-CE1 2.9Å; E16-H118 PolarHBondContact OE1-CE1 3.46Å; E16-H118 IonicContact OE1-NE2 2.95Å; E16-H118 PolarHBondContact OE1-NE2 3.26Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.45Å
17M97.4Very high95.3Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-57.6-48.7176.3-171.2-178.36100110.9L13 G14 G15 Y19 I20 L21 I42 Y71 L74 A75 L90 M94L13-M17 PolarHBondContact O-N 3.43Å; G14-M17 WeakPolarHBondContact O-CB 3.39Å; G14-M17 PolarHBondContact O-N 3.06Å; G15-M17 VanDerWaalsContact C-N 3.31Å; G15-M17 PolarHBondContact O-N 3.37Å; M17-Y19 VanDerWaalsContact C-N 3.34Å; M17-Y19 PolarHBondContact O-N 3.01Å; M17-I20 PolarHBondContact O-N 2.92Å; M17-L21 HydrophobicContact CG-CD1 3.92Å; M17-L21 HydrophobicContact CG-CG 4.37Å; M17-L21 WeakPolarHBondContact O-CB 3.36Å; M17-L21 VanDerWaalsContact O-CG 3.26Å; M17-L21 WeakPolarHBondContact O-CG 3.41Å; M17-L21 PolarHBondContact O-N 3.48Å; M17-I42 HydrophobicContact CE-CG2 3.63Å; M17-Y71 HydrophobicContact CE-CD1 4.23Å; M17-Y71 HydrophobicContact SD-CD1 3.77Å; M17-L74 HydrophobicContact CE-CB 4.18Å; M17-A75 HydrophobicContact SD-CB 4.2Å; M17-L90 HydrophobicContact CG-CD1 4.19Å; M17-L90 HydrophobicContact CG-CD2 4.03Å; M17-L90 HydrophobicContact CG-CG 4.33Å; M17-M94 HydrophobicContact CB-CE 3.78Å; M17-M94 HydrophobicContact CB-CG 4.11Å; M17-M94 HydrophobicContact CB-SD 3.56Å; M17-M94 VanDerWaalsContact CB-SD 3.56Å; M17-M94 HydrophobicContact CG-CE 4.3Å; M17-M94 HydrophobicContact CG-SD 3.77Å; M17-M94 HydrophobicContact SD-SD 4.5Å
18L97.4Very high94.8Very high0 Ų020.3 Ų20.30%010%0.097CC..Hα-helixtrans-64.8-37.6-179.9-70.3167.7000111.8G14 G15 E16 D22 L39 I42 I43 M46 I122 F125G14-L18 WeakPolarHBondContact O-CG 3.4Å; G14-L18 PolarHBondContact O-N 3.41Å; G15-L18 PolarHBondContact O-N 3.36Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 3.23Å; L18-D22 VanDerWaalsContact O-CB 3.29Å; L18-D22 WeakPolarHBondContact O-CB 3.46Å; L18-D22 PolarHBondContact O-N 3.07Å; L18-L39 HydrophobicContact CD2-CD2 3.88Å; L18-I42 HydrophobicContact CD2-CB 4.27Å; L18-I42 HydrophobicContact CD2-CG2 3.83Å; L18-I43 HydrophobicContact CD1-CD1 4.33Å; L18-I43 HydrophobicContact CD1-CG1 3.71Å; L18-I43 HydrophobicContact CD2-CD1 4.49Å; L18-I43 HydrophobicContact CD2-CG1 3.96Å; L18-M46 HydrophobicContact CD1-SD 4.46Å; L18-I122 HydrophobicContact CD1-CD1 3.86Å; L18-I122 HydrophobicContact CD1-CG1 3.66Å; L18-I122 HydrophobicContact CD1-CG2 4.36Å; L18-F125 HydrophobicContact CB-CD2 4.21Å; L18-F125 HydrophobicContact CB-CE2 3.94Å
19Y96.4Very high94.3Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-60.5-49173.1-64.7-15.1000112.2G15 E16 M17 L21 Q23 H118 T121 F125 G247 N249G15-Y19 WeakPolarHBondContact O-CD1 3.36Å; G15-Y19 PolarHBondContact O-N 3.29Å; E16-Y19 PolarHBondContact O-N 3.27Å; M17-Y19 VanDerWaalsContact C-N 3.34Å; M17-Y19 PolarHBondContact O-N 3.01Å; Y19-L21 PolarHBondContact O-N 2.8Å; Y19-Q23 WeakPolarHBondContact O-CG 3.36Å; Y19-Q23 PolarHBondContact O-N 2.73Å; Y19-Q23 VanDerWaalsContact O-N 3.09Å; Y19-H118 AromaticContact CE2-CD2 3.45Å; Y19-H118 VanDerWaalsContact CE2-CD2 3.45Å; Y19-H118 WeakPolarHBondContact CE2-CD2 3.41Å; Y19-H118 AromaticContact CE2-NE2 3.74Å; Y19-H118 AromaticContact CZ-CD2 3.66Å; Y19-T121 HydrophobicContact CD1-CG2 4.26Å; Y19-T121 HydrophobicContact CE1-CG2 3.36Å; Y19-T121 VanDerWaalsContact OH-CB 3.27Å; Y19-T121 WeakPolarHBondContact OH-CB 3.38Å; Y19-T121 PolarHBondContact OH-OG1 3.3Å; Y19-T121 VanDerWaalsContact OH-OG1 3.07Å; Y19-F125 AromaticContact CD1-CE2 3.84Å; Y19-F125 HydrophobicContact CD1-CE2 3.84Å; Y19-F125 AromaticContact CD1-CZ 3.8Å; Y19-F125 HydrophobicContact CD1-CZ 3.8Å; Y19-F125 HydrophobicContact CE1-CE2 4.06Å; Y19-F125 HydrophobicContact CE1-CZ 4.13Å; Y19-G247 WeakPolarHBondContact CE2-O 3.28Å; Y19-G247 PolarHBondContact OH-O 3.31Å; Y19-N249 HydrophobicContact CD1-CB 4.11Å; Y19-N249 HydrophobicContact CD2-CB 4.07Å; Y19-N249 HydrophobicContact CE1-CB 4.26Å; Y19-N249 HydrophobicContact CE2-CB 4.19Å; Y19-N249 HydrophobicContact CG-CB 4.01Å
20I94.8Very high93.9Very high6 Ų628.9 Ų28.93%0.03114%0.143CC..Hα-helixtrans-64.3-43.7-178.6-64.2157.8000110.4E16 M17 Q23 R24 L90 L93 M94 Y251 L312E16-I20 WeakPolarHBondContact O-CD1 3.49Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.43Å; E16-I20 PolarHBondContact O-N 2.91Å; M17-I20 PolarHBondContact O-N 2.92Å; I20-Q23 PolarHBondContact O-N 3.39Å; I20-R24 WeakPolarHBondContact O-CB 3.47Å; I20-R24 WeakPolarHBondContact O-CG 3.33Å; I20-R24 PolarHBondContact O-N 3.44Å; I20-L90 HydrophobicContact CB-CD1 3.82Å; I20-L90 HydrophobicContact CD1-CD1 3.96Å; I20-L90 HydrophobicContact CG2-CD1 3.57Å; I20-L93 HydrophobicContact CD1-CB 3.62Å; I20-L93 HydrophobicContact CD1-CD1 4.48Å; I20-L93 HydrophobicContact CG2-CD1 4.31Å; I20-M94 HydrophobicContact CD1-CG 3.73Å; I20-Y251 HydrophobicContact CD1-CE2 4.34Å; I20-Y251 HydrophobicContact CG1-CD2 4.2Å; I20-Y251 HydrophobicContact CG1-CE1 3.97Å; I20-Y251 HydrophobicContact CG1-CE2 3.62Å; I20-Y251 VanDerWaalsContact CG1-CZ 3.49Å; I20-L312 HydrophobicContact CG2-CD2 4.12Å
21L94.7Very high93.7Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-66.6-46179.6-68.9178.9000112M17 Y19 Q23 R24 L25 I42 M80 L82 L90 L310M17-L21 HydrophobicContact CG-CD1 3.92Å; M17-L21 HydrophobicContact CG-CG 4.37Å; M17-L21 WeakPolarHBondContact O-CB 3.36Å; M17-L21 VanDerWaalsContact O-CG 3.26Å; M17-L21 WeakPolarHBondContact O-CG 3.41Å; M17-L21 PolarHBondContact O-N 3.48Å; Y19-L21 PolarHBondContact O-N 2.8Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 2.81Å; L21-R24 PolarHBondContact O-N 2.82Å; L21-R24 VanDerWaalsContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 2.92Å; L21-I42 HydrophobicContact CD1-CD1 3.71Å; L21-M80 HydrophobicContact CD1-CE 4Å; L21-M80 HydrophobicContact CD2-CE 3.78Å; L21-M80 HydrophobicContact CD2-SD 4.21Å; L21-L82 HydrophobicContact CD2-CD1 4.18Å; L21-L90 HydrophobicContact CD2-CD1 4.44Å; L21-L90 HydrophobicContact CD2-CD2 4.15Å; L21-L90 HydrophobicContact CG-CD1 4.48Å; L21-L310 HydrophobicContact CD2-CD2 3.87Å
22D94.1Very high93.2Very high10 Ų1034.6 Ų34.65%0.05319%0.189CC..Hα-helixtrans-55.9-46.2175.116976.8000111.2L18 R24 L25 R26 L39 F125L18-D22 VanDerWaalsContact O-CB 3.29Å; L18-D22 WeakPolarHBondContact O-CB 3.46Å; L18-D22 PolarHBondContact O-N 3.07Å; D22-R24 PolarHBondContact O-N 2.91Å; D22-L25 PolarHBondContact O-N 3.41Å; D22-R26 VanDerWaalsContact CG-NE 3.27Å; D22-R26 VanDerWaalsContact O-CG 3.29Å; D22-R26 WeakPolarHBondContact O-CG 3.46Å; D22-R26 PolarHBondContact O-N 3.32Å; D22-R26 IonicContact OD1-CZ 2.72Å; D22-R26 IonicContact OD1-NE 3.65Å; D22-R26 PolarHBondContact OD1-NE 3.42Å; D22-R26 IonicContact OD1-NH2 3.07Å; D22-R26 PolarHBondContact OD1-NH2 2.64Å; D22-R26 IonicContact OD2-CZ 3.63Å; D22-R26 IonicContact OD2-NE 3.68Å; D22-R26 PolarHBondContact OD2-NE 3.4Å; D22-R26 IonicContact OD2-NH2 2.62Å; D22-L39 HydrophobicContact CB-CD1 4.25Å; D22-F125 HydrophobicContact CB-CE1 4.21Å; D22-F125 HydrophobicContact CB-CZ 4.18Å
23Q90.4Very high92.7Very high39 Ų3939.9 Ų39.918%0.18222%0.217CC..Hα-helixtrans-64-39.7177.4-67.8-53.8-60.600112.8Y19 I20 L21 R26 A27 N249Y19-Q23 WeakPolarHBondContact O-CG 3.36Å; Y19-Q23 PolarHBondContact O-N 2.73Å; Y19-Q23 VanDerWaalsContact O-N 3.09Å; I20-Q23 PolarHBondContact O-N 3.39Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 2.81Å; Q23-R26 PolarHBondContact O-N 3.5Å; Q23-A27 VanDerWaalsContact O-CB 3.3Å; Q23-A27 WeakPolarHBondContact O-CB 3.19Å; Q23-A27 PolarHBondContact O-N 3.4Å; Q23-N249 PolarHBondContact NE2-ND2 3.5Å
24R90.7Very high92.3Very high71 Ų7143.9 Ų43.927%0.26823%0.234SC..Hα-helixtrans-69.8-39.5178.1-75.5-65.4-175.3-152.75.4112.7I20 L21 D22 R26 A27 Q28 L310 L312I20-R24 WeakPolarHBondContact O-CB 3.47Å; I20-R24 WeakPolarHBondContact O-CG 3.33Å; I20-R24 PolarHBondContact O-N 3.44Å; L21-R24 PolarHBondContact O-N 2.82Å; L21-R24 VanDerWaalsContact O-N 3.16Å; D22-R24 PolarHBondContact O-N 2.91Å; R24-R26 VanDerWaalsContact C-N 3.32Å; R24-R26 PolarHBondContact O-N 2.96Å; R24-A27 PolarHBondContact O-N 3.26Å; R24-Q28 WeakPolarHBondContact O-CG 3.21Å; R24-Q28 PolarHBondContact O-N 3.37Å; R24-L310 HydrophobicContact CB-CD1 4.34Å; R24-L310 HydrophobicContact CB-CD2 3.96Å; R24-L310 HydrophobicContact CB-CG 4.45Å; R24-L312 HydrophobicContact CG-CG 4.24Å; R24-L312 PolarHBondContact NE-O 3.42Å; R24-L312 PolarHBondContact NH2-O 3.42Å
25L90.8Very high92.1Very high2 Ų244.6 Ų44.61%0.0124%0.24CC..Hα-helixtrans-59.9-43.2173.6-69.9167000111.1L21 D22 N29 I30 A35 V38 L39 M80 F308 L310L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 2.92Å; D22-L25 PolarHBondContact O-N 3.41Å; L25-N29 PolarHBondContact O-N 3.35Å; L25-I30 HydrophobicContact CB-CB 4.45Å; L25-I30 HydrophobicContact CB-CG1 4.5Å; L25-I30 HydrophobicContact CD2-CB 4.2Å; L25-I30 HydrophobicContact CD2-CG1 3.91Å; L25-I30 HydrophobicContact CD2-CG2 4.2Å; L25-I30 WeakPolarHBondContact O-CB 3.44Å; L25-I30 WeakPolarHBondContact O-CG1 3.46Å; L25-I30 PolarHBondContact O-N 2.85Å; L25-A35 HydrophobicContact CB-CB 4.16Å; L25-A35 HydrophobicContact CD1-CB 4.13Å; L25-V38 HydrophobicContact CD1-CB 4.39Å; L25-V38 HydrophobicContact CD1-CG1 4.03Å; L25-L39 HydrophobicContact CD1-CD2 4.36Å; L25-L39 HydrophobicContact CD1-CG 4.35Å; L25-M80 HydrophobicContact CD2-SD 4.36Å; L25-F308 HydrophobicContact CD2-CE2 4.03Å; L25-F308 HydrophobicContact CD2-CZ 3.79Å; L25-L310 HydrophobicContact CD2-CD1 4.19Å; L25-L310 HydrophobicContact CD2-CD2 4.49Å
26R88.9Confident91.7Very high154 Ų15448.2 Ų48.258%0.58125%0.254SS*.Hα-helixtrans-65-46.7174.8-69.7172.2-168.3-108.3-2.1112.3D22 Q23 R24 Q28 N29D22-R26 VanDerWaalsContact CG-NE 3.27Å; D22-R26 VanDerWaalsContact O-CG 3.29Å; D22-R26 WeakPolarHBondContact O-CG 3.46Å; D22-R26 PolarHBondContact O-N 3.32Å; D22-R26 IonicContact OD1-CZ 2.72Å; D22-R26 IonicContact OD1-NE 3.65Å; D22-R26 PolarHBondContact OD1-NE 3.42Å; D22-R26 IonicContact OD1-NH2 3.07Å; D22-R26 PolarHBondContact OD1-NH2 2.64Å; D22-R26 IonicContact OD2-CZ 3.63Å; D22-R26 IonicContact OD2-NE 3.68Å; D22-R26 PolarHBondContact OD2-NE 3.4Å; D22-R26 IonicContact OD2-NH2 2.62Å; Q23-R26 PolarHBondContact O-N 3.5Å; R24-R26 VanDerWaalsContact C-N 3.32Å; R24-R26 PolarHBondContact O-N 2.96Å; R26-Q28 VanDerWaalsContact C-N 3.25Å; R26-Q28 PolarHBondContact O-N 3.37Å; R26-N29 WeakPolarHBondContact O-CA 3.21Å; R26-N29 PolarHBondContact O-N 2.96Å
27A85.4Confident91.4Very high67 Ų6751.6 Ų51.655%0.55427%0.269SS*.Hα-helixtrans-62.6-32.7-178.400000112.8Q23 R24 N29Q23-A27 VanDerWaalsContact O-CB 3.3Å; Q23-A27 WeakPolarHBondContact O-CB 3.19Å; Q23-A27 PolarHBondContact O-N 3.4Å; R24-A27 PolarHBondContact O-N 3.26Å; A27-N29 VanDerWaalsContact C-N 3.26Å
28Q86.7Confident91.2Very high76 Ų7651.6 Ų51.636%0.35527%0.269SS..THydrogen-bonded Turntrans-86.47.6174.3-63.4-163.58.700113.5R24 R26 I30 L310 N311R24-Q28 WeakPolarHBondContact O-CG 3.21Å; R24-Q28 PolarHBondContact O-N 3.37Å; R26-Q28 VanDerWaalsContact C-N 3.25Å; R26-Q28 PolarHBondContact O-N 3.37Å; Q28-I30 HydrophobicContact CB-CD1 4.24Å; Q28-I30 HydrophobicContact CB-CG1 4.16Å; Q28-I30 PolarHBondContact O-N 3.48Å; Q28-L310 HydrophobicContact CG-CD1 4.3Å; Q28-N311 PolarHBondContact NE2-O 2.9Å
29N88.2Confident91.1Very high143 Ų14352 Ų5277%0.76527%0.271SS*.THydrogen-bonded Turntrans51.638.5-178.6-62.3-57.4000113.2L25 R26 A27L25-N29 PolarHBondContact O-N 3.35Å; R26-N29 WeakPolarHBondContact O-CA 3.21Å; R26-N29 PolarHBondContact O-N 2.96Å; A27-N29 VanDerWaalsContact C-N 3.26Å
30I90.1Very high91.1Very high36 Ų3653.1 Ų53.119%0.18528%0.277CS..  trans-63.1133.9175.2-59.3-57.9000108.6L25 Q28 G32 K34 A35 F308L25-I30 HydrophobicContact CB-CB 4.45Å; L25-I30 HydrophobicContact CB-CG1 4.5Å; L25-I30 HydrophobicContact CD2-CB 4.2Å; L25-I30 HydrophobicContact CD2-CG1 3.91Å; L25-I30 HydrophobicContact CD2-CG2 4.2Å; L25-I30 WeakPolarHBondContact O-CB 3.44Å; L25-I30 WeakPolarHBondContact O-CG1 3.46Å; L25-I30 PolarHBondContact O-N 2.85Å; Q28-I30 HydrophobicContact CB-CD1 4.24Å; Q28-I30 HydrophobicContact CB-CG1 4.16Å; Q28-I30 PolarHBondContact O-N 3.48Å; I30-G32 PolarHBondContact O-N 3.25Å; I30-K34 HydrophobicContact CG2-CB 3.95Å; I30-A35 HydrophobicContact CG2-CB 4.35Å; I30-F308 HydrophobicContact CD1-CD2 4.2Å; I30-F308 HydrophobicContact CD1-CE2 3.97Å; I30-F308 HydrophobicContact CG1-CE2 4.19Å; I30-F308 HydrophobicContact CG2-CZ 4.16Å
31P91.8Very high91Very high75 Ų7555.4 Ų55.449%0.48729%0.289SS..  trans-52.2137179.3-28.735.2000112.1D33 K34 A35P31-D33 VanDerWaalsContact C-N 3.29Å; P31-D33 PolarHBondContact O-N 2.97Å; P31-K34 HydrophobicContact CG-CD 4.42Å; P31-K34 WeakPolarHBondContact O-CB 3.35Å; P31-K34 PolarHBondContact O-N 2.95Å; P31-A35 PolarHBondContact O-N 3.18Å
32G88.4Confident91.1Very high48 Ų4855.4 Ų55.450%0.49529%0.289SS..Hα-helixtrans-50.8-46.3-17400000112.9I30 K34 A35 R36I30-G32 PolarHBondContact O-N 3.25Å; G32-K34 VanDerWaalsContact C-N 3.31Å; G32-K34 PolarHBondContact O-N 2.98Å; G32-A35 PolarHBondContact O-N 3.04Å; G32-R36 WeakPolarHBondContact O-CB 3.5Å; G32-R36 WeakPolarHBondContact O-CG 3.29Å; G32-R36 PolarHBondContact O-N 3.37Å
33D88.9Confident91.2Very high110 Ų11055 Ų5559%0.58829%0.287SS*.Hα-helixtrans-60-39.4178.9-57.3-28.9000113.2P31 R36 K37P31-D33 VanDerWaalsContact C-N 3.29Å; P31-D33 PolarHBondContact O-N 2.97Å; D33-R36 IonicContact OD1-CZ 3.18Å; D33-R36 IonicContact OD1-NE 3.46Å; D33-R36 IonicContact OD1-NH2 3.49Å; D33-R36 PolarHBondContact OD1-NH2 2.94Å; D33-K37 WeakPolarHBondContact O-CB 3.36Å; D33-K37 PolarHBondContact O-N 3.33Å
34K90.6Very high91.4Very high84 Ų8455.2 Ų55.237%0.36529%0.293SS..Hα-helixtrans-71.4-43.4177.6-71.2-173.8176-175.50111.3I30 P31 G32 R36 K37 V38I30-K34 HydrophobicContact CG2-CB 3.95Å; P31-K34 HydrophobicContact CG-CD 4.42Å; P31-K34 WeakPolarHBondContact O-CB 3.35Å; P31-K34 PolarHBondContact O-N 2.95Å; G32-K34 VanDerWaalsContact C-N 3.31Å; G32-K34 PolarHBondContact O-N 2.98Å; K34-R36 VanDerWaalsContact C-N 3.32Å; K34-R36 PolarHBondContact O-N 3.49Å; K34-K37 PolarHBondContact O-N 3.33Å; K34-V38 WeakPolarHBondContact O-CG2 3.5Å; K34-V38 PolarHBondContact O-N 3.4Å
35A91.7Very high91.5Very high15 Ų1553 Ų5312%0.12429%0.287CS..Hα-helixtrans-60.9-43175.500000111.2L25 I30 P31 G32 V38 L39L25-A35 HydrophobicContact CB-CB 4.16Å; L25-A35 HydrophobicContact CD1-CB 4.13Å; I30-A35 HydrophobicContact CG2-CB 4.35Å; P31-A35 PolarHBondContact O-N 3.18Å; G32-A35 PolarHBondContact O-N 3.04Å; A35-V38 PolarHBondContact O-N 2.87Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.48Å
36R90.9Very high91.8Very high76 Ų7652.9 Ų52.929%0.28729%0.287SS..Hα-helixtrans-60-47.5175-71.8-172.1-58.1157.24.1112.1G32 D33 K34 V38 L39 N40 Q127 D128G32-R36 WeakPolarHBondContact O-CB 3.5Å; G32-R36 WeakPolarHBondContact O-CG 3.29Å; G32-R36 PolarHBondContact O-N 3.37Å; D33-R36 IonicContact OD1-CZ 3.18Å; D33-R36 IonicContact OD1-NE 3.46Å; D33-R36 IonicContact OD1-NH2 3.49Å; D33-R36 PolarHBondContact OD1-NH2 2.94Å; K34-R36 VanDerWaalsContact C-N 3.32Å; K34-R36 PolarHBondContact O-N 3.49Å; R36-V38 VanDerWaalsContact C-N 3.34Å; R36-V38 PolarHBondContact O-N 3.38Å; R36-L39 PolarHBondContact O-N 2.93Å; R36-N40 WeakPolarHBondContact O-CB 3.25Å; R36-N40 PolarHBondContact O-N 2.98Å; R36-Q127 VanDerWaalsContact CD-CD 3.45Å; R36-D128 IonicContact NH1-OD2 3.41Å; R36-D128 PolarHBondContact NH1-OD2 3.45Å
37K92.1Very high92.1Very high71 Ų7145.6 Ų45.631%0.30926%0.259SS..Hα-helixtrans-58.2-45.8176.2-175175.3177.6-179.50111.7D33 K34 L39 N40 D41 I79 E305D33-K37 WeakPolarHBondContact O-CB 3.36Å; D33-K37 PolarHBondContact O-N 3.33Å; K34-K37 PolarHBondContact O-N 3.33Å; K37-L39 PolarHBondContact O-N 3.16Å; K37-N40 PolarHBondContact O-N 3.31Å; K37-D41 WeakPolarHBondContact O-CB 3.29Å; K37-D41 PolarHBondContact O-N 3.07Å; K37-I79 HydrophobicContact CD-CD1 4.47Å; K37-E305 IonicContact NZ-OE2 3.95Å
38V93.3Very high92.5Very high0 Ų044.6 Ų44.60%024%0.244CC..Hα-helixtrans-58.2-49.4176.9166.90000111.8L25 K34 A35 R36 D41 I42 I79 M80 F308L25-V38 HydrophobicContact CD1-CB 4.39Å; L25-V38 HydrophobicContact CD1-CG1 4.03Å; K34-V38 WeakPolarHBondContact O-CG2 3.5Å; K34-V38 PolarHBondContact O-N 3.4Å; A35-V38 PolarHBondContact O-N 2.87Å; R36-V38 VanDerWaalsContact C-N 3.34Å; R36-V38 PolarHBondContact O-N 3.38Å; V38-D41 PolarHBondContact O-N 3.44Å; V38-I42 HydrophobicContact CG1-CD1 3.93Å; V38-I42 VanDerWaalsContact O-CG1 3.26Å; V38-I42 WeakPolarHBondContact O-CG1 3.42Å; V38-I42 PolarHBondContact O-N 3.34Å; V38-I42 VanDerWaalsContact O-N 3.15Å; V38-I79 HydrophobicContact CG2-CD1 4.31Å; V38-I79 HydrophobicContact CG2-CG1 3.75Å; V38-M80 HydrophobicContact CG1-CB 4.05Å; V38-M80 HydrophobicContact CG1-CE 4.39Å; V38-M80 HydrophobicContact CG1-SD 4.03Å; V38-M80 HydrophobicContact CG2-CB 3.97Å; V38-F308 HydrophobicContact CG2-CE1 3.87Å; V38-F308 HydrophobicContact CG2-CZ 3.94Å
39L95.1Very high92.8Very high8 Ų849.2 Ų49.24%0.04226%0.258CS..Hα-helixtrans-65.5-45.1179.4-65.3175.9000111.7L18 D22 L25 A35 R36 K37 D41 I42 I43 F125L18-L39 HydrophobicContact CD2-CD2 3.88Å; D22-L39 HydrophobicContact CB-CD1 4.25Å; L25-L39 HydrophobicContact CD1-CD2 4.36Å; L25-L39 HydrophobicContact CD1-CG 4.35Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.48Å; R36-L39 PolarHBondContact O-N 2.93Å; K37-L39 PolarHBondContact O-N 3.16Å; L39-D41 VanDerWaalsContact C-N 3.35Å; L39-D41 PolarHBondContact O-N 2.92Å; L39-I42 PolarHBondContact O-N 3.32Å; L39-I43 HydrophobicContact CB-CD1 4.42Å; L39-I43 WeakPolarHBondContact O-CB 3.37Å; L39-I43 WeakPolarHBondContact O-CD1 3.4Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.45Å; L39-F125 HydrophobicContact CD1-CB 4.28Å; L39-F125 HydrophobicContact CD1-CD1 4.39Å; L39-F125 HydrophobicContact CD1-CG 4.3Å
40N94.9Very high92.8Very high25 Ų2550 Ų5013%0.13426%0.255CS..Hα-helixtrans-59.7-42.2177.4-81.9-4.6000112.2R36 K37 I43 S44 Q127 I132R36-N40 WeakPolarHBondContact O-CB 3.25Å; R36-N40 PolarHBondContact O-N 2.98Å; K37-N40 PolarHBondContact O-N 3.31Å; N40-I43 PolarHBondContact O-N 3.33Å; N40-S44 WeakPolarHBondContact O-CB 3.41Å; N40-S44 PolarHBondContact O-N 3.27Å; N40-Q127 PolarHBondContact ND2-O 3.12Å; N40-I132 HydrophobicContact CB-CD1 4.15Å
41D94.1Very high92.9Very high54 Ų5448.6 Ų48.629%0.28925%0.248SC..Hα-helixtrans-64.5-43.1178.7-71.4-17.7000111.5K37 V38 L39 T45K37-D41 WeakPolarHBondContact O-CB 3.29Å; K37-D41 PolarHBondContact O-N 3.07Å; V38-D41 PolarHBondContact O-N 3.44Å; L39-D41 VanDerWaalsContact C-N 3.35Å; L39-D41 PolarHBondContact O-N 2.92Å; D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 PolarHBondContact O-N 3.39Å; D41-T45 VanDerWaalsContact O-N 3.09Å; D41-T45 PolarHBondContact O-OG1 2.96Å
42I95.3Very high93Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-65.7-47.9177.4-64.7169.6000110.3M17 L18 L21 V38 L39 T45 M46 M80M17-I42 HydrophobicContact CE-CG2 3.63Å; L18-I42 HydrophobicContact CD2-CB 4.27Å; L18-I42 HydrophobicContact CD2-CG2 3.83Å; L21-I42 HydrophobicContact CD1-CD1 3.71Å; V38-I42 HydrophobicContact CG1-CD1 3.93Å; V38-I42 VanDerWaalsContact O-CG1 3.26Å; V38-I42 WeakPolarHBondContact O-CG1 3.42Å; V38-I42 PolarHBondContact O-N 3.34Å; V38-I42 VanDerWaalsContact O-N 3.15Å; L39-I42 PolarHBondContact O-N 3.32Å; I42-T45 PolarHBondContact O-N 2.87Å; I42-M46 VanDerWaalsContact O-CB 3.3Å; I42-M46 WeakPolarHBondContact O-CB 3.17Å; I42-M46 PolarHBondContact O-N 3.22Å; I42-M80 HydrophobicContact CD1-CE 4.39Å
43I96.6Very high93.1Very high0 Ų046.9 Ų46.90%022%0.22CC..Hα-helixtrans-63.8-44.5179.8-63.7164.1000110L18 L39 N40 T45 M46 F47 I122 F125 I126 I132 V136L18-I43 HydrophobicContact CD1-CD1 4.33Å; L18-I43 HydrophobicContact CD1-CG1 3.71Å; L18-I43 HydrophobicContact CD2-CD1 4.49Å; L18-I43 HydrophobicContact CD2-CG1 3.96Å; L39-I43 HydrophobicContact CB-CD1 4.42Å; L39-I43 WeakPolarHBondContact O-CB 3.37Å; L39-I43 WeakPolarHBondContact O-CD1 3.4Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.45Å; N40-I43 PolarHBondContact O-N 3.33Å; I43-T45 PolarHBondContact O-N 3.28Å; I43-M46 PolarHBondContact O-N 3.03Å; I43-F47 HydrophobicContact CG2-CD2 3.67Å; I43-F47 HydrophobicContact CG2-CE2 4.07Å; I43-F47 WeakPolarHBondContact O-CD2 3.46Å; I43-F47 PolarHBondContact O-N 3.26Å; I43-I122 HydrophobicContact CD1-CG2 4.04Å; I43-I122 HydrophobicContact CG1-CG2 4.14Å; I43-I122 HydrophobicContact CG2-CG2 3.92Å; I43-F125 HydrophobicContact CD1-CB 3.91Å; I43-I126 HydrophobicContact CD1-CG1 4Å; I43-I126 HydrophobicContact CG2-CD1 4.04Å; I43-I126 HydrophobicContact CG2-CG1 4.13Å; I43-I132 HydrophobicContact CB-CG2 4.21Å; I43-I132 HydrophobicContact CG2-CG2 3.46Å; I43-I132 VanDerWaalsContact CG2-CG2 3.46Å; I43-V136 HydrophobicContact CG2-CG2 4.16Å
44S95.1Very high93.2Very high44 Ų4444 Ų4431%0.30820%0.203SC..Hα-helixtrans-59.8-36.1177.5-174.40000112.6N40 N48N40-S44 WeakPolarHBondContact O-CB 3.41Å; N40-S44 PolarHBondContact O-N 3.27Å; S44-N48 PolarHBondContact O-N 3.21Å
45T93.8Very high93.3Very high25 Ų2540 Ų4015%0.15319%0.186CC..Hα-helixtrans-73.7-47176.5-54.20000110.1D41 I42 I43 F47 N48 L74 A77 M293 M296D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 PolarHBondContact O-N 3.39Å; D41-T45 VanDerWaalsContact O-N 3.09Å; D41-T45 PolarHBondContact O-OG1 2.96Å; I42-T45 PolarHBondContact O-N 2.87Å; I43-T45 PolarHBondContact O-N 3.28Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 3.09Å; T45-N48 WeakPolarHBondContact O-CB 3.45Å; T45-N48 PolarHBondContact O-N 3.15Å; T45-L74 HydrophobicContact CG2-CD2 3.77Å; T45-A77 HydrophobicContact CG2-CB 4.06Å; T45-M293 HydrophobicContact CG2-CE 4.44Å; T45-M296 HydrophobicContact CG2-CE 3.65Å; T45-M296 WeakPolarHBondContact O-CE 3.4Å
46M95.7Very high93.4Very high0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-59-44-179.6-176.4176.8166.400111.9F10 L11 L18 I42 I43 M52 L74F10-M46 HydrophobicContact CD1-CE 4.23Å; F10-M46 HydrophobicContact CE1-CE 3.92Å; F10-M46 HydrophobicContact CE1-CG 3.65Å; F10-M46 HydrophobicContact CZ-CG 4Å; L11-M46 HydrophobicContact CD2-CE 3.86Å; L18-M46 HydrophobicContact CD1-SD 4.46Å; I42-M46 VanDerWaalsContact O-CB 3.3Å; I42-M46 WeakPolarHBondContact O-CB 3.17Å; I42-M46 PolarHBondContact O-N 3.22Å; I43-M46 PolarHBondContact O-N 3.03Å; M46-M52 WeakPolarHBondContact O-CE 3.22Å; M46-L74 HydrophobicContact CB-CD2 4.28Å
47F96.3Very high93.5Very high1 Ų141.6 Ų41.60%0.00419%0.192CC..THydrogen-bonded Turntrans-96.823.8-177.5-67.4-91000113.6L11 I43 T45 R49 M52 L119 I122 Q135 V136 T139L11-F47 HydrophobicContact CD2-CE1 3.75Å; L11-F47 HydrophobicContact CD2-CZ 3.96Å; I43-F47 HydrophobicContact CG2-CD2 3.67Å; I43-F47 HydrophobicContact CG2-CE2 4.07Å; I43-F47 WeakPolarHBondContact O-CD2 3.46Å; I43-F47 PolarHBondContact O-N 3.26Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 3.09Å; F47-R49 PolarHBondContact O-N 2.81Å; F47-M52 HydrophobicContact CD1-CE 4.14Å; F47-M52 HydrophobicContact CG-CE 4.49Å; F47-L119 HydrophobicContact CE1-CD2 3.67Å; F47-L119 HydrophobicContact CZ-CD2 3.59Å; F47-I122 HydrophobicContact CE2-CD1 4.18Å; F47-I122 HydrophobicContact CE2-CG2 3.95Å; F47-I122 HydrophobicContact CZ-CD1 4.05Å; F47-I122 HydrophobicContact CZ-CG2 4.33Å; F47-Q135 HydrophobicContact CB-CB 4.12Å; F47-V136 HydrophobicContact CB-CG2 4.39Å; F47-V136 HydrophobicContact CD1-CB 4.45Å; F47-V136 HydrophobicContact CD1-CG2 3.92Å; F47-V136 HydrophobicContact CD2-CG2 3.89Å; F47-V136 HydrophobicContact CE1-CG1 4.28Å; F47-V136 HydrophobicContact CE1-CG2 4.11Å; F47-V136 HydrophobicContact CE2-CG2 4.1Å; F47-V136 HydrophobicContact CG-CG2 3.8Å; F47-V136 HydrophobicContact CZ-CG1 4.48Å; F47-V136 HydrophobicContact CZ-CG2 4.2Å; F47-T139 HydrophobicContact CD1-CG2 4.16Å; F47-T139 HydrophobicContact CE1-CG2 3.94Å
48N93.6Very high93.5Very high45 Ų4542.6 Ų42.624%0.24121%0.206CC..  trans-58.9130.5174.1-177.5-77.3000110.6S44 T45 K50 F51 M52 M296S44-N48 PolarHBondContact O-N 3.21Å; T45-N48 WeakPolarHBondContact O-CB 3.45Å; T45-N48 PolarHBondContact O-N 3.15Å; N48-K50 PolarHBondContact O-N 2.8Å; N48-K50 PolarHBondContact OD1-N 3.49Å; N48-K50 VanDerWaalsContact OD1-N 3.07Å; N48-F51 HydrophobicContact CB-CB 4.15Å; N48-F51 PolarHBondContact O-N 3.48Å; N48-F51 VanDerWaalsContact O-N 3.14Å; N48-M52 PolarHBondContact O-N 3.42Å; N48-M296 HydrophobicContact CB-CE 3.37Å; N48-M296 HydrophobicContact CB-SD 4.25Å
49R91.8Very high93.4Very high173 Ų17344.8 Ų44.865%0.65322%0.216SC*.Hα-helixtrans-53.4-49.7-174.8179.5176.8172.11692.2113.7F47 F51 M52 E53F47-R49 PolarHBondContact O-N 2.81Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.34Å; R49-M52 PolarHBondContact O-N 3.14Å; R49-E53 HydrophobicContact CG-CG 4.46Å; R49-E53 WeakPolarHBondContact CG-OE1 3.15Å; R49-E53 IonicContact CZ-OE1 3.68Å; R49-E53 IonicContact NE-OE1 3.58Å; R49-E53 PolarHBondContact NE-OE1 2.88Å; R49-E53 IonicContact NH2-OE1 2.6Å; R49-E53 PolarHBondContact NH2-OE1 2.91Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 3.3Å
50K90Very high93.2Very high160 Ų16051 Ų5170%0.69625%0.245SC*.Hα-helixtrans-64-40.3-178.3-67.1-175.7178.8-179.10111N48 E53 E54N48-K50 PolarHBondContact O-N 2.8Å; N48-K50 PolarHBondContact OD1-N 3.49Å; N48-K50 VanDerWaalsContact OD1-N 3.07Å; K50-E53 PolarHBondContact O-N 3.33Å; K50-E54 WeakPolarHBondContact O-CG 3.45Å; K50-E54 PolarHBondContact O-N 3.3Å
51F90.3Very high92.9Very high7 Ų751.1 Ų51.13%0.03125%0.245CC..Hα-helixtrans-65.4-44.2177.6178.3-100.9000111.6F10 N48 R49 E54 L55 L289 M293 M296F10-F51 HydrophobicContact CD1-CE1 4.31Å; F10-F51 HydrophobicContact CD2-CZ 4.43Å; F10-F51 AromaticContact CE1-CE1 3.59Å; F10-F51 HydrophobicContact CE1-CE1 3.59Å; F10-F51 HydrophobicContact CE1-CZ 4.29Å; F10-F51 AromaticContact CE2-CE1 3.94Å; F10-F51 HydrophobicContact CE2-CE1 3.94Å; F10-F51 AromaticContact CE2-CZ 3.82Å; F10-F51 HydrophobicContact CE2-CZ 3.82Å; F10-F51 HydrophobicContact CZ-CD1 4.48Å; F10-F51 AromaticContact CZ-CE1 3.36Å; F10-F51 HydrophobicContact CZ-CE1 3.36Å; F10-F51 AromaticContact CZ-CZ 3.73Å; F10-F51 HydrophobicContact CZ-CZ 3.73Å; N48-F51 HydrophobicContact CB-CB 4.15Å; N48-F51 PolarHBondContact O-N 3.48Å; N48-F51 VanDerWaalsContact O-N 3.14Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.34Å; F51-E54 PolarHBondContact O-N 3.44Å; F51-L55 HydrophobicContact CE1-CD2 4.31Å; F51-L55 HydrophobicContact CZ-CD1 4.34Å; F51-L55 WeakPolarHBondContact O-CB 3.45Å; F51-L55 PolarHBondContact O-N 3.25Å; F51-L289 HydrophobicContact CE2-CD1 4.2Å; F51-M293 HydrophobicContact CD2-SD 4.11Å; F51-M293 HydrophobicContact CE2-SD 4.15Å; F51-M296 HydrophobicContact CB-SD 4.16Å
52M94.1Very high92.5Very high3 Ų349.7 Ų49.72%0.01524%0.236CC..Hα-helixtrans-62.3-45.3175.8-74.2-70.1149.300111.5F10 L11 M46 F47 N48 R49 E54 L55 F56 T139F10-M52 HydrophobicContact CD1-CE 4.28Å; F10-M52 HydrophobicContact CE1-CE 3.86Å; L11-M52 HydrophobicContact CD2-CE 3.88Å; L11-M52 HydrophobicContact CD2-SD 4.43Å; M46-M52 WeakPolarHBondContact O-CE 3.22Å; F47-M52 HydrophobicContact CD1-CE 4.14Å; F47-M52 HydrophobicContact CG-CE 4.49Å; N48-M52 PolarHBondContact O-N 3.42Å; R49-M52 PolarHBondContact O-N 3.14Å; M52-E54 VanDerWaalsContact C-N 3.26Å; M52-E54 PolarHBondContact O-N 3.31Å; M52-L55 HydrophobicContact CE-CD2 3.96Å; M52-L55 WeakPolarHBondContact O-CB 3.3Å; M52-L55 PolarHBondContact O-N 3.3Å; M52-L55 VanDerWaalsContact O-N 3.09Å; M52-L55 HydrophobicContact SD-CD2 3.87Å; M52-F56 VanDerWaalsContact O-CD2 3.27Å; M52-F56 WeakPolarHBondContact O-CD2 3.26Å; M52-F56 PolarHBondContact O-N 3.5Å; M52-F56 HydrophobicContact SD-CD2 4.33Å; M52-F56 HydrophobicContact SD-CE2 3.78Å; M52-T139 HydrophobicContact SD-CG2 3.98Å
53E90.8Very high92.2Very high83 Ų8351.8 Ų51.839%0.38825%0.251SS..Hα-helixtrans-55.5-40.1175.9-74.2168.8-178.500112.3R49 K50R49-E53 HydrophobicContact CG-CG 4.46Å; R49-E53 WeakPolarHBondContact CG-OE1 3.15Å; R49-E53 IonicContact CZ-OE1 3.68Å; R49-E53 IonicContact NE-OE1 3.58Å; R49-E53 PolarHBondContact NE-OE1 2.88Å; R49-E53 IonicContact NH2-OE1 2.6Å; R49-E53 PolarHBondContact NH2-OE1 2.91Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 3.3Å; K50-E53 PolarHBondContact O-N 3.33Å
54E91.9Very high91.7Very high50 Ų5054.6 Ų54.623%0.23426%0.263CS..Hα-helixtrans-73.8-39.1174.4-66.4-59137.300113.1K50 F51 M52 F56 K57 Q59 L292K50-E54 WeakPolarHBondContact O-CG 3.45Å; K50-E54 PolarHBondContact O-N 3.3Å; F51-E54 PolarHBondContact O-N 3.44Å; M52-E54 VanDerWaalsContact C-N 3.26Å; M52-E54 PolarHBondContact O-N 3.31Å; E54-F56 VanDerWaalsContact C-N 3.3Å; E54-F56 PolarHBondContact O-N 2.72Å; E54-K57 WeakPolarHBondContact O-CB 3.3Å; E54-K57 PolarHBondContact O-N 2.62Å; E54-K57 WeakPolarHBondContact OE1-CE 3.27Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 PolarHBondContact OE1-NZ 2.81Å; E54-K57 WeakPolarHBondContact OE2-CD 3.35Å; E54-K57 WeakPolarHBondContact OE2-CE 2.87Å; E54-K57 IonicContact OE2-NZ 3.6Å; E54-K57 PolarHBondContact OE2-NZ 3.33Å; E54-Q59 PolarHBondContact O-NE2 3.17Å; E54-L292 HydrophobicContact CB-CD1 4.12Å; E54-L292 HydrophobicContact CG-CD1 3.86Å; E54-L292 HydrophobicContact CG-CD2 4.31Å
55L92.1Very high91.2Very high1 Ų155.7 Ų55.71%0.00526%0.262CS..Hα-helixtrans-60.6-40.5179.9-175.973000111.6L6 P7 F10 F51 M52 K57 Q59L6-L55 HydrophobicContact CD2-CD1 3.86Å; L6-L55 HydrophobicContact CG-CD1 3.81Å; P7-L55 HydrophobicContact CB-CD2 4.48Å; P7-L55 HydrophobicContact CB-CG 4.47Å; P7-L55 HydrophobicContact CG-CG 4.45Å; P7-L55 WeakPolarHBondContact CG-O 3.35Å; F10-L55 HydrophobicContact CB-CD1 4.03Å; F10-L55 HydrophobicContact CB-CD2 4.12Å; F10-L55 HydrophobicContact CD1-CD1 4.45Å; F10-L55 HydrophobicContact CD1-CD2 3.56Å; F10-L55 HydrophobicContact CE1-CD2 4.23Å; F10-L55 HydrophobicContact CG-CD1 4.08Å; F10-L55 HydrophobicContact CG-CD2 3.99Å; F51-L55 HydrophobicContact CE1-CD2 4.31Å; F51-L55 HydrophobicContact CZ-CD1 4.34Å; F51-L55 WeakPolarHBondContact O-CB 3.45Å; F51-L55 PolarHBondContact O-N 3.25Å; M52-L55 HydrophobicContact CE-CD2 3.96Å; M52-L55 WeakPolarHBondContact O-CB 3.3Å; M52-L55 PolarHBondContact O-N 3.3Å; M52-L55 VanDerWaalsContact O-N 3.09Å; M52-L55 HydrophobicContact SD-CD2 3.87Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 2.88Å; L55-Q59 PolarHBondContact O-NE2 2.91Å
56F94.1Very high90.8Very high22 Ų2254.7 Ų54.710%0.09626%0.256CS..THydrogen-bonded Turntrans-79.8-6-177.2-82.3-90000114.4P7 L11 M52 E54 T139 Q142 L143 I146 Y147P7-F56 HydrophobicContact CB-CD1 3.94Å; P7-F56 HydrophobicContact CB-CD2 4.5Å; P7-F56 HydrophobicContact CB-CE1 3.76Å; P7-F56 HydrophobicContact CB-CE2 4.3Å; P7-F56 HydrophobicContact CB-CG 4.35Å; P7-F56 HydrophobicContact CB-CZ 3.95Å; P7-F56 HydrophobicContact CG-CD1 3.88Å; P7-F56 HydrophobicContact CG-CE1 4.23Å; P7-F56 HydrophobicContact CG-CG 4.15Å; L11-F56 HydrophobicContact CD1-CZ 4.18Å; M52-F56 VanDerWaalsContact O-CD2 3.27Å; M52-F56 WeakPolarHBondContact O-CD2 3.26Å; M52-F56 PolarHBondContact O-N 3.5Å; M52-F56 HydrophobicContact SD-CD2 4.33Å; M52-F56 HydrophobicContact SD-CE2 3.78Å; E54-F56 VanDerWaalsContact C-N 3.3Å; E54-F56 PolarHBondContact O-N 2.72Å; F56-T139 HydrophobicContact CE2-CG2 3.91Å; F56-T139 HydrophobicContact CZ-CG2 3.91Å; F56-Q142 HydrophobicContact CE1-CB 4.32Å; F56-Q142 HydrophobicContact CZ-CB 4.44Å; F56-L143 HydrophobicContact CE1-CD2 3.72Å; F56-L143 HydrophobicContact CE1-CG 3.97Å; F56-L143 HydrophobicContact CZ-CD2 3.89Å; F56-L143 HydrophobicContact CZ-CG 3.86Å; F56-I146 HydrophobicContact CB-CD1 4.14Å; F56-I146 HydrophobicContact CD1-CD1 3.43Å; F56-I146 VanDerWaalsContact CD1-CD1 3.43Å; F56-I146 HydrophobicContact CE1-CD1 4.2Å; F56-I146 HydrophobicContact CG-CD1 4.17Å; F56-Y147 HydrophobicContact CE1-CE2 4.19Å
57K92.9Very high90.5Very high101 Ų10154.7 Ų54.744%0.43926%0.257SS..SBendtrans-62.5140.4170-68.5-179.1-175.3172.20110.2E54 L55 Q59E54-K57 WeakPolarHBondContact O-CB 3.3Å; E54-K57 PolarHBondContact O-N 2.62Å; E54-K57 WeakPolarHBondContact OE1-CE 3.27Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 PolarHBondContact OE1-NZ 2.81Å; E54-K57 WeakPolarHBondContact OE2-CD 3.35Å; E54-K57 WeakPolarHBondContact OE2-CE 2.87Å; E54-K57 IonicContact OE2-NZ 3.6Å; E54-K57 PolarHBondContact OE2-NZ 3.33Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 2.88Å; K57-Q59 WeakPolarHBondContact O-CG 3.41Å; K57-Q59 PolarHBondContact O-N 3.49Å; K57-Q59 VanDerWaalsContact O-N 3.08Å; K57-Q59 PolarHBondContact O-NE2 2.79Å
58P93Very high90.1Very high92 Ų9254.8 Ų54.860%0.59726%0.257SS*.SBendtrans-57.5115.6173.7-23.934000110.8V3V3-P58 HydrophobicContact CB-CB 4.23Å; V3-P58 HydrophobicContact CG2-CB 3.85Å; V3-P58 CarbonylContact O-C 3.56Å; V3-P58 WeakPolarHBondContact O-CA 3.39Å
59Q91.1Very high89.9Confident46 Ų4654 Ų5422%0.21525%0.254CS..  trans-155.7159.5-176.965.4-165-43.800111.6V3 L6 E54 L55 K57 Y62V3-Q59 CarbonylContact C-O 3.51Å; V3-Q59 VanDerWaalsContact C-O 3.32Å; V3-Q59 VanDerWaalsContact CA-O 3.25Å; V3-Q59 WeakPolarHBondContact CA-O 3.21Å; V3-Q59 PolarHBondContact O-N 3.43Å; L6-Q59 HydrophobicContact CB-CG 4.47Å; L6-Q59 VanDerWaalsContact CD2-CD 3.49Å; L6-Q59 HydrophobicContact CD2-CG 3.64Å; E54-Q59 PolarHBondContact O-NE2 3.17Å; L55-Q59 PolarHBondContact O-NE2 2.91Å; K57-Q59 WeakPolarHBondContact O-CG 3.41Å; K57-Q59 PolarHBondContact O-N 3.49Å; K57-Q59 VanDerWaalsContact O-N 3.08Å; K57-Q59 PolarHBondContact O-NE2 2.79Å; Q59-Y62 PolarHBondContact OE1-OH 3.4Å
60E89.8Confident89.8Confident138 Ų13846 Ų4665%0.64522%0.224SC*.PPolyproline II helixtrans-70.9167.1174.6-61.6-159.6152.300112
61L88.9Confident90Very high28 Ų2838.4 Ų38.415%0.14719%0.191CC..PPolyproline II helixtrans-72.5138.6175.2-69.5-172.2000110.6T5 L6 L9 T161 F165T5-L61 HydrophobicContact CG2-CD1 4.2Å; T5-L61 HydrophobicContact CG2-CD2 3.95Å; T5-L61 HydrophobicContact CG2-CG 4.4Å; L6-L61 HydrophobicContact CB-CD2 3.91Å; L6-L61 HydrophobicContact CD1-CD2 4.1Å; L9-L61 HydrophobicContact CB-CD2 4.43Å; L9-L61 HydrophobicContact CD2-CD1 4.1Å; L9-L61 HydrophobicContact CD2-CD2 3.85Å; L61-T161 HydrophobicContact CD1-CG2 3.68Å; L61-T161 HydrophobicContact CG-CG2 4Å; L61-F165 HydrophobicContact CD1-CB 3.84Å; L61-F165 HydrophobicContact CD1-CD2 4.03Å; L61-F165 HydrophobicContact CD1-CG 4.18Å
62Y86.3Confident90Very high25 Ų2539.7 Ų39.710%0.09820%0.197CC..PPolyproline II helixtrans-62.3151.7168.6-54.3-32.4000111.6L6 Q59 L67 L289L6-Y62 HydrophobicContact CD1-CD2 3.8Å; L6-Y62 HydrophobicContact CD1-CE2 3.91Å; L6-Y62 HydrophobicContact CD1-CG 4.23Å; L6-Y62 HydrophobicContact CD2-CD1 4.43Å; L6-Y62 HydrophobicContact CD2-CD2 4.24Å; L6-Y62 HydrophobicContact CD2-CE1 3.82Å; L6-Y62 HydrophobicContact CD2-CE2 3.61Å; L6-Y62 WeakPolarHBondContact CD2-OH 3.31Å; L6-Y62 HydrophobicContact CG-CE2 4.32Å; Q59-Y62 PolarHBondContact OE1-OH 3.4Å; Y62-L67 HydrophobicContact CD2-CD1 4.26Å; Y62-L289 HydrophobicContact CD2-CD1 4.37Å; Y62-L289 HydrophobicContact CE1-CD1 4.49Å; Y62-L289 HydrophobicContact CE2-CD1 3.42Å; Y62-L289 VanDerWaalsContact CE2-CD1 3.42Å; Y62-L289 WeakPolarHBondContact OH-CD1 3.46Å
63S88.1Confident89.8Confident43 Ų4343.2 Ų43.230%0.30121%0.21SC..PPolyproline II helixtrans-57.7151.5169.673.50000111.4K65 A66 L67S63-K65 PolarHBondContact O-N 3.11Å; S63-A66 PolarHBondContact O-N 3.24Å; S63-A66 VanDerWaalsContact OG-CB 3.24Å; S63-A66 WeakPolarHBondContact OG-CB 3.5Å; S63-A66 PolarHBondContact OG-N 3.34Å; S63-A66 VanDerWaalsContact OG-N 3.12Å; S63-L67 PolarHBondContact O-N 3.43Å
64K86.5Confident89.8Confident59 Ų5939.3 Ų39.326%0.25719%0.192SC..Hα-helixtrans-53.8-38.6177-68.3176.2178.7174.10112.2R68 Y91 F165 Q167 L169K64-R68 WeakPolarHBondContact O-CB 3.37Å; K64-R68 PolarHBondContact O-N 3.15Å; K64-Y91 PolarHBondContact O-OH 3.21Å; K64-F165 WeakPolarHBondContact CE-O 3.27Å; K64-F165 HydrophobicContact CG-CD2 4.44Å; K64-F165 HydrophobicContact CG-CE2 3.78Å; K64-F165 HydrophobicContact CG-CZ 3.91Å; K64-F165 PolarHBondContact NZ-O 3.34Å; K64-Q167 PolarHBondContact NZ-O 3.1Å; K64-Q167 VanDerWaalsContact NZ-O 3.15Å; K64-L169 HydrophobicContact CD-CD2 4.4Å
65K85.1Confident89.7Confident67 Ų6736.9 Ų36.929%0.29118%0.181SC..Hα-helixtrans-66.7-45.9177-174.8172.5-176.2165.80111.3S63 R68 T69 Y332 E333S63-K65 PolarHBondContact O-N 3.11Å; K65-R68 WeakPolarHBondContact O-CB 3.47Å; K65-R68 PolarHBondContact O-N 3.29Å; K65-T69 PolarHBondContact O-N 3.3Å; K65-T69 VanDerWaalsContact O-N 3.15Å; K65-T69 PolarHBondContact O-OG1 3.48Å; K65-Y332 HydrophobicContact CB-CD1 3.95Å; K65-Y332 HydrophobicContact CB-CE1 4.25Å; K65-Y332 HydrophobicContact CG-CD1 4.07Å; K65-E333 VanDerWaalsContact CE-O 3.31Å; K65-E333 WeakPolarHBondContact CE-O 3.46Å; K65-E333 PolarHBondContact NZ-O 2.8Å
66A84.4Confident89.6Confident4 Ų439.1 Ų39.13%0.03319%0.191CC..Hα-helixtrans-61.7-49.5178.600000111.7S63 R68 T69 V70 L286S63-A66 PolarHBondContact O-N 3.24Å; S63-A66 VanDerWaalsContact OG-CB 3.24Å; S63-A66 WeakPolarHBondContact OG-CB 3.5Å; S63-A66 PolarHBondContact OG-N 3.34Å; S63-A66 VanDerWaalsContact OG-N 3.12Å; A66-R68 VanDerWaalsContact C-N 3.28Å; A66-R68 PolarHBondContact O-N 2.69Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 2.99Å; A66-T69 VanDerWaalsContact O-N 3.1Å; A66-V70 VanDerWaalsContact O-CG2 3.31Å; A66-V70 WeakPolarHBondContact O-CG2 3.23Å; A66-V70 PolarHBondContact O-N 2.91Å; A66-V70 VanDerWaalsContact O-N 3.17Å; A66-L286 VanDerWaalsContact CA-CD2 3.45Å; A66-L286 HydrophobicContact CB-CD1 4.24Å; A66-L286 HydrophobicContact CB-CD2 3.51Å; A66-L286 HydrophobicContact CB-CG 3.64Å
67L89Confident89.3Confident1 Ų138.6 Ų38.61%0.00519%0.19CC..Hα-helixtrans-59.8-39.7178.6-168.563.9000111.8L9 F10 L13 Y62 S63 T69 V70 Y71 F165L9-L67 HydrophobicContact CD2-CD2 3.75Å; L9-L67 HydrophobicContact CG-CD2 4.07Å; F10-L67 HydrophobicContact CD2-CD1 4.43Å; L13-L67 HydrophobicContact CD1-CD2 3.67Å; Y62-L67 HydrophobicContact CD2-CD1 4.26Å; S63-L67 PolarHBondContact O-N 3.43Å; L67-T69 PolarHBondContact O-N 3.1Å; L67-V70 WeakPolarHBondContact O-CB 3.31Å; L67-V70 PolarHBondContact O-N 3.42Å; L67-Y71 HydrophobicContact CD1-CD2 4.4Å; L67-Y71 HydrophobicContact CD1-CE2 3.82Å; L67-Y71 HydrophobicContact CD2-CE2 4.33Å; L67-Y71 HydrophobicContact CG-CD2 4.11Å; L67-Y71 HydrophobicContact CG-CE2 3.77Å; L67-Y71 VanDerWaalsContact O-CD2 3.25Å; L67-Y71 WeakPolarHBondContact O-CD2 3.45Å; L67-Y71 PolarHBondContact O-N 2.86Å; L67-F165 HydrophobicContact CD2-CE1 4.36Å; L67-F165 HydrophobicContact CD2-CE2 4.2Å; L67-F165 HydrophobicContact CD2-CZ 3.62Å
68R89.5Confident89.1Confident3 Ų334.1 Ų34.11%0.01117%0.172CC..Hα-helixtrans-56.5-48173.3174.3169.717556.19.8112.3K64 K65 A66 V70 Y71 E72 Q84 M87 D88 Y91K64-R68 WeakPolarHBondContact O-CB 3.37Å; K64-R68 PolarHBondContact O-N 3.15Å; K65-R68 WeakPolarHBondContact O-CB 3.47Å; K65-R68 PolarHBondContact O-N 3.29Å; A66-R68 VanDerWaalsContact C-N 3.28Å; A66-R68 PolarHBondContact O-N 2.69Å; R68-V70 PolarHBondContact O-N 3.24Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-Y71 VanDerWaalsContact O-N 3.16Å; R68-E72 PolarHBondContact O-N 2.98Å; R68-Q84 VanDerWaalsContact NH2-NE2 3.19Å; R68-M87 PolarHBondContact NH1-O 2.94Å; R68-D88 IonicContact CZ-OD1 2.68Å; R68-D88 IonicContact NE-OD1 2.75Å; R68-D88 PolarHBondContact NE-OD1 3.07Å; R68-D88 IonicContact NH1-OD1 2.93Å; R68-D88 IonicContact NH2-OD1 3.68Å; R68-D88 PolarHBondContact NH2-OD1 3.32Å; R68-Y91 HydrophobicContact CB-CD1 4.37Å; R68-Y91 HydrophobicContact CB-CD2 4.33Å; R68-Y91 HydrophobicContact CB-CE1 4.04Å; R68-Y91 HydrophobicContact CB-CE2 4.03Å; R68-Y91 HydrophobicContact CB-CG 4.49Å; R68-Y91 HydrophobicContact CG-CD1 4.43Å; R68-Y91 HydrophobicContact CG-CD2 4.45Å; R68-Y91 HydrophobicContact CG-CG 4.35Å; R68-Y91 VanDerWaalsContact NH1-CB 3.31Å
69T87.9Confident88.7Confident28 Ų2830.3 Ų30.317%0.17215%0.146CC..Hα-helixtrans-61.2-34.3178.7-59.80000112.1K65 A66 L67 E72 R73K65-T69 PolarHBondContact O-N 3.3Å; K65-T69 VanDerWaalsContact O-N 3.15Å; K65-T69 PolarHBondContact O-OG1 3.48Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 2.99Å; A66-T69 VanDerWaalsContact O-N 3.1Å; L67-T69 PolarHBondContact O-N 3.1Å; T69-E72 PolarHBondContact O-N 3.17Å; T69-R73 WeakPolarHBondContact O-CG 3.1Å; T69-R73 PolarHBondContact O-N 3.21Å; T69-R73 VanDerWaalsContact O-N 3.12Å
70V89.9Confident88.6Confident4 Ų428.1 Ų28.12%0.02414%0.136CC..Hα-helixtrans-61.4-48.6174.2-168.80000110.9F10 A66 L67 R68 E72 R73 L74 L289F10-V70 HydrophobicContact CE2-CG1 3.9Å; A66-V70 VanDerWaalsContact O-CG2 3.31Å; A66-V70 WeakPolarHBondContact O-CG2 3.23Å; A66-V70 PolarHBondContact O-N 2.91Å; A66-V70 VanDerWaalsContact O-N 3.17Å; L67-V70 WeakPolarHBondContact O-CB 3.31Å; L67-V70 PolarHBondContact O-N 3.42Å; R68-V70 PolarHBondContact O-N 3.24Å; V70-E72 VanDerWaalsContact C-N 3.33Å; V70-E72 PolarHBondContact O-N 3.01Å; V70-R73 PolarHBondContact O-N 3.28Å; V70-L74 HydrophobicContact CG1-CD1 4.14Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.42Å; V70-L289 HydrophobicContact CB-CD2 4.18Å; V70-L289 HydrophobicContact CG1-CD2 4.02Å; V70-L289 HydrophobicContact CG2-CD2 3.19Å
71Y93.6Very high88.6Confident2 Ų225.9 Ų25.91%0.00812%0.124CC..Hα-helixtrans-67.6-32-179.9-77.8-67.1000113.7F10 L13 G14 M17 L67 R68 L74 A75 Y91 M94F10-Y71 VanDerWaalsContact CA-OH 3.32Å; F10-Y71 WeakPolarHBondContact CA-OH 3.47Å; F10-Y71 HydrophobicContact CE2-CE1 4.5Å; F10-Y71 PolarHBondContact O-OH 3.09Å; L13-Y71 HydrophobicContact CB-CE1 4.34Å; L13-Y71 HydrophobicContact CB-CE2 3.91Å; L13-Y71 WeakPolarHBondContact CB-OH 3.33Å; L13-Y71 HydrophobicContact CD1-CE2 3.96Å; G14-Y71 PolarHBondContact N-OH 2.66Å; M17-Y71 HydrophobicContact CE-CD1 4.23Å; M17-Y71 HydrophobicContact SD-CD1 3.77Å; L67-Y71 HydrophobicContact CD1-CD2 4.4Å; L67-Y71 HydrophobicContact CD1-CE2 3.82Å; L67-Y71 HydrophobicContact CD2-CE2 4.33Å; L67-Y71 HydrophobicContact CG-CD2 4.11Å; L67-Y71 HydrophobicContact CG-CE2 3.77Å; L67-Y71 VanDerWaalsContact O-CD2 3.25Å; L67-Y71 WeakPolarHBondContact O-CD2 3.45Å; L67-Y71 PolarHBondContact O-N 2.86Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-Y71 VanDerWaalsContact O-N 3.16Å; Y71-L74 HydrophobicContact CD1-CD1 3.96Å; Y71-L74 HydrophobicContact CE1-CD1 4.1Å; Y71-L74 PolarHBondContact O-N 2.98Å; Y71-A75 WeakPolarHBondContact O-CB 3.41Å; Y71-A75 PolarHBondContact O-N 3.01Å; Y71-Y91 HydrophobicContact CD2-CD2 4.27Å; Y71-Y91 AromaticContact CD2-CE2 3.87Å; Y71-Y91 HydrophobicContact CD2-CE2 3.87Å; Y71-M94 HydrophobicContact CD1-CE 3.56Å; Y71-M94 HydrophobicContact CD2-CE 3.99Å; Y71-M94 HydrophobicContact CE1-CE 3.8Å; Y71-M94 HydrophobicContact CE2-CE 4.19Å; Y71-M94 HydrophobicContact CG-CE 3.67Å
72E90.3Very high88.5Confident33 Ų3325.1 Ų25.115%0.15412%0.12CC..Hα-helixtrans-61.1-47.9171.3-171.2178.8168.700111.7R68 T69 V70 L74 A75 H76 M87R68-E72 PolarHBondContact O-N 2.98Å; T69-E72 PolarHBondContact O-N 3.17Å; V70-E72 VanDerWaalsContact C-N 3.33Å; V70-E72 PolarHBondContact O-N 3.01Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.31Å; E72-A75 PolarHBondContact O-N 3.48Å; E72-H76 PolarHBondContact O-N 2.96Å; E72-H76 VanDerWaalsContact O-N 3.13Å; E72-M87 VanDerWaalsContact CA-CE 3.49Å; E72-M87 HydrophobicContact CB-CE 3.98Å; E72-M87 HydrophobicContact CG-CE 4.16Å; E72-M87 HydrophobicContact CG-CG 4.49Å
73R90.1Very high88.5Confident78 Ų7826.2 Ų26.229%0.29413%0.128SC..Hα-helixtrans-62-40.9175.2-69.4-178.7179.5-156.71.3112.3T69 V70 H76 A77 A290 M293T69-R73 WeakPolarHBondContact O-CG 3.1Å; T69-R73 PolarHBondContact O-N 3.21Å; T69-R73 VanDerWaalsContact O-N 3.12Å; V70-R73 PolarHBondContact O-N 3.28Å; R73-H76 CarbonylContact O-C 3.58Å; R73-H76 PolarHBondContact O-N 3.11Å; R73-A77 PolarHBondContact O-N 3.17Å; R73-A290 VanDerWaalsContact NH1-CA 3.31Å; R73-A290 PolarHBondContact NH1-O 3.43Å; R73-M293 HydrophobicContact CB-CE 4.08Å
74L91.9Very high88.5Confident0 Ų027.8 Ų27.80%013%0.13CC..Hα-helixtrans-64.5-47.6177.4-72170.2000112F10 M17 T45 M46 V70 Y71 E72 H76 A77 M293F10-L74 HydrophobicContact CE2-CD1 3.82Å; F10-L74 HydrophobicContact CZ-CD1 3.65Å; M17-L74 HydrophobicContact CE-CB 4.18Å; T45-L74 HydrophobicContact CG2-CD2 3.77Å; M46-L74 HydrophobicContact CB-CD2 4.28Å; V70-L74 HydrophobicContact CG1-CD1 4.14Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.42Å; Y71-L74 HydrophobicContact CD1-CD1 3.96Å; Y71-L74 HydrophobicContact CE1-CD1 4.1Å; Y71-L74 PolarHBondContact O-N 2.98Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.31Å; L74-H76 PolarHBondContact O-N 3.41Å; L74-A77 WeakPolarHBondContact O-CB 3.29Å; L74-A77 PolarHBondContact O-N 2.87Å; L74-A77 VanDerWaalsContact O-N 3.1Å; L74-M293 HydrophobicContact CD2-CE 4.04Å; L74-M293 HydrophobicContact CG-CE 4.29Å
75A90Very high88.6Confident0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-62.3-31.8-179.800000112.2M17 Y71 E72 M80 L82 M87 L90M17-A75 HydrophobicContact SD-CB 4.2Å; Y71-A75 WeakPolarHBondContact O-CB 3.41Å; Y71-A75 PolarHBondContact O-N 3.01Å; E72-A75 PolarHBondContact O-N 3.48Å; A75-M80 WeakPolarHBondContact O-CE 3.31Å; A75-L82 HydrophobicContact CB-CD1 3.99Å; A75-M87 HydrophobicContact CB-CE 4.01Å; A75-M87 HydrophobicContact CB-SD 3.82Å; A75-L90 HydrophobicContact CB-CD2 4.34Å
76H89.6Confident88.8Confident48 Ų4822.9 Ų22.922%0.22211%0.113CC..THydrogen-bonded Turntrans-94.15.9177.4-66.8173.7000114.5E72 R73 L74 S78 K81 L82E72-H76 PolarHBondContact O-N 2.96Å; E72-H76 VanDerWaalsContact O-N 3.13Å; R73-H76 CarbonylContact O-C 3.58Å; R73-H76 PolarHBondContact O-N 3.11Å; L74-H76 PolarHBondContact O-N 3.41Å; H76-S78 PolarHBondContact O-N 2.9Å; H76-K81 PolarHBondContact O-NZ 2.93Å; H76-L82 PolarHBondContact NE2-N 3.45Å; H76-L82 PolarHBondContact NE2-O 3.46Å
77A88.4Confident89.2Confident10 Ų1022.8 Ų22.88%0.08311%0.112CC..SBendtrans-66-21.1175.600000112.5T45 R73 L74T45-A77 HydrophobicContact CG2-CB 4.06Å; R73-A77 PolarHBondContact O-N 3.17Å; L74-A77 WeakPolarHBondContact O-CB 3.29Å; L74-A77 PolarHBondContact O-N 2.87Å; L74-A77 VanDerWaalsContact O-N 3.1Å
78S87.6Confident89.3Confident7 Ų723.8 Ų23.85%0.04912%0.117CC..SBendtrans-96.5-178.9176.776.20000113.1H76 M80H76-S78 PolarHBondContact O-N 2.9Å; S78-M80 PolarHBondContact O-N 3.01Å; S78-M80 WeakPolarHBondContact OG-CB 3.43Å; S78-M80 PolarHBondContact OG-N 3.19Å
79I83.9Confident89.4Confident12 Ų1225.8 Ų25.86%0.06213%0.126CC..SBendtrans-63.5-18.1172.360.3170.3000113.9K37 V38 P301 G307 F308K37-I79 HydrophobicContact CD-CD1 4.47Å; V38-I79 HydrophobicContact CG2-CD1 4.31Å; V38-I79 HydrophobicContact CG2-CG1 3.75Å; I79-P301 HydrophobicContact CG2-CB 3.86Å; I79-P301 HydrophobicContact CG2-CG 4.1Å; I79-G307 WeakPolarHBondContact O-CA 3.49Å; I79-F308 HydrophobicContact CD1-CD1 4.24Å; I79-F308 HydrophobicContact CD1-CE1 3.98Å; I79-F308 HydrophobicContact CG1-CD1 4.37Å; I79-F308 HydrophobicContact CG1-CE1 4.02Å; I79-F308 PolarHBondContact O-N 3.45Å
80M90.3Very high89.7Confident0 Ų024.5 Ų24.50%012%0.118CC..EExtended strand (participates in β ladder)trans-75.8137.2178.9-177.7-167.67100110.5L21 L25 V38 I42 A75 S78 L82 F308 L310L21-M80 HydrophobicContact CD1-CE 4Å; L21-M80 HydrophobicContact CD2-CE 3.78Å; L21-M80 HydrophobicContact CD2-SD 4.21Å; L25-M80 HydrophobicContact CD2-SD 4.36Å; V38-M80 HydrophobicContact CG1-CB 4.05Å; V38-M80 HydrophobicContact CG1-CE 4.39Å; V38-M80 HydrophobicContact CG1-SD 4.03Å; V38-M80 HydrophobicContact CG2-CB 3.97Å; I42-M80 HydrophobicContact CD1-CE 4.39Å; A75-M80 WeakPolarHBondContact O-CE 3.31Å; S78-M80 PolarHBondContact O-N 3.01Å; S78-M80 WeakPolarHBondContact OG-CB 3.43Å; S78-M80 PolarHBondContact OG-N 3.19Å; M80-L82 HydrophobicContact CE-CD1 3.83Å; M80-L82 HydrophobicContact CE-CG 4.22Å; M80-F308 HydrophobicContact CB-CE1 4.26Å; M80-F308 HydrophobicContact CB-CE2 4.34Å; M80-F308 HydrophobicContact CB-CZ 3.94Å; M80-F308 HydrophobicContact CG-CE2 3.97Å; M80-F308 HydrophobicContact CG-CZ 4.02Å; M80-L310 HydrophobicContact CE-CD2 4.44Å; M80-L310 HydrophobicContact CG-CB 3.64Å; M80-L310 HydrophobicContact CG-CD2 4.37Å; M80-L310 HydrophobicContact SD-CB 3.74Å; M80-L310 HydrophobicContact SD-CD2 3.3Å; M80-L310 WeakPolarHBondContact SD-CD2 3.43Å; M80-L310 HydrophobicContact SD-CG 4.08Å
81K88.5Confident89.9Confident92 Ų9224.6 Ų24.640%0.412%0.118SC..EExtended strand (participates in β ladder)trans-120.6138.2173-59.7-60.6172.2-159.70110.9H76 F308 R309 L310H76-K81 PolarHBondContact O-NZ 2.93Å; K81-F308 PolarHBondContact N-O 3.5Å; K81-R309 CarbonylContact O-C 3.55Å; K81-R309 VanDerWaalsContact O-CA 3.3Å; K81-R309 WeakPolarHBondContact O-CA 3.25Å; K81-L310 PolarHBondContact O-N 3.04Å
82L87.4Confident90Very high12 Ų1225.2 Ų25.26%0.06312%0.122CC..EExtended strand (participates in β ladder)trans-113.1139.4175.8-71.8156.2000108.4L21 A75 H76 M80 M87 L90 L310 L312L21-L82 HydrophobicContact CD2-CD1 4.18Å; A75-L82 HydrophobicContact CB-CD1 3.99Å; H76-L82 PolarHBondContact NE2-N 3.45Å; H76-L82 PolarHBondContact NE2-O 3.46Å; M80-L82 HydrophobicContact CE-CD1 3.83Å; M80-L82 HydrophobicContact CE-CG 4.22Å; L82-M87 HydrophobicContact CB-CG 3.69Å; L82-M87 HydrophobicContact CB-SD 3.63Å; L82-M87 HydrophobicContact CD1-CG 4.48Å; L82-M87 HydrophobicContact CD1-SD 3.35Å; L82-M87 WeakPolarHBondContact CD1-SD 3.1Å; L82-M87 HydrophobicContact CG-SD 4.11Å; L82-L90 HydrophobicContact CD1-CD2 3.92Å; L82-L310 HydrophobicContact CD2-CB 4.01Å; L82-L310 HydrophobicContact CD2-CD2 4.22Å; L82-L310 HydrophobicContact CD2-CG 4.31Å; L82-L310 WeakPolarHBondContact CD2-O 3.44Å; L82-L312 HydrophobicContact CD2-CD1 3.37Å
83N87.3Confident90.2Very high47 Ų4724.5 Ų24.525%0.25112%0.119SC..  trans-72.1168.6169.372.26.2000110.7A85 S86 M87 E319N83-A85 PolarHBondContact O-N 3.21Å; N83-S86 PolarHBondContact O-N 2.88Å; N83-S86 WeakPolarHBondContact OD1-CA 3.5Å; N83-S86 WeakPolarHBondContact OD1-CB 3.29Å; N83-S86 PolarHBondContact OD1-N 3.26Å; N83-S86 PolarHBondContact OD1-OG 3.1Å; N83-M87 PolarHBondContact O-N 3.27Å; N83-E319 PolarHBondContact ND2-OE1 3.43Å; N83-E319 PolarHBondContact ND2-OE2 3.31Å
84Q87.4Confident90.5Very high76 Ų7620.9 Ų20.936%0.35511%0.105SC..Hα-helixtrans-58.8-46.7-176.2-176.261.528.900112.1R68 S86 M87 D88R68-Q84 VanDerWaalsContact NH2-NE2 3.19Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 2.87Å; Q84-M87 WeakPolarHBondContact O-CB 3.44Å; Q84-M87 PolarHBondContact O-N 3.39Å; Q84-M87 VanDerWaalsContact O-N 3.17Å; Q84-D88 PolarHBondContact NE2-OD2 2.83Å; Q84-D88 WeakPolarHBondContact O-CB 3.4Å; Q84-D88 PolarHBondContact O-N 3.44Å
85A87.4Confident90.7Very high23 Ų2321 Ų2119%0.1911%0.106CC..Hα-helixtrans-62.5-39.8-179.700000112.2N83 D88 K89 F313 E319N83-A85 PolarHBondContact O-N 3.21Å; A85-D88 WeakPolarHBondContact O-CB 3.47Å; A85-D88 PolarHBondContact O-N 3.05Å; A85-K89 WeakPolarHBondContact O-CB 3.34Å; A85-K89 PolarHBondContact O-N 3.46Å; A85-F313 HydrophobicContact CB-CE2 3.87Å; A85-E319 HydrophobicContact CB-CG 3.54Å; A85-E319 WeakPolarHBondContact CB-OE1 3.27Å
86S89.9Confident91Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-67-39.7175.3-660000111.6N83 Q84 D88 K89 L90 L312N83-S86 PolarHBondContact O-N 2.88Å; N83-S86 WeakPolarHBondContact OD1-CA 3.5Å; N83-S86 WeakPolarHBondContact OD1-CB 3.29Å; N83-S86 PolarHBondContact OD1-N 3.26Å; N83-S86 PolarHBondContact OD1-OG 3.1Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 2.87Å; S86-D88 VanDerWaalsContact C-N 3.33Å; S86-K89 PolarHBondContact O-N 3.4Å; S86-L90 VanDerWaalsContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CB 3.47Å; S86-L90 PolarHBondContact O-N 3.13Å; S86-L312 PolarHBondContact OG-N 3.15Å
87M92.9Very high91.4Very high3 Ų318.7 Ų18.72%0.01510%0.096CC..Hα-helixtrans-64.4-37.4173.8-79.9-54.9-43.800112.6R68 E72 A75 L82 N83 Q84 L90 Y91R68-M87 PolarHBondContact NH1-O 2.94Å; E72-M87 VanDerWaalsContact CA-CE 3.49Å; E72-M87 HydrophobicContact CB-CE 3.98Å; E72-M87 HydrophobicContact CG-CE 4.16Å; E72-M87 HydrophobicContact CG-CG 4.49Å; A75-M87 HydrophobicContact CB-CE 4.01Å; A75-M87 HydrophobicContact CB-SD 3.82Å; L82-M87 HydrophobicContact CB-CG 3.69Å; L82-M87 HydrophobicContact CB-SD 3.63Å; L82-M87 HydrophobicContact CD1-CG 4.48Å; L82-M87 HydrophobicContact CD1-SD 3.35Å; L82-M87 WeakPolarHBondContact CD1-SD 3.1Å; L82-M87 HydrophobicContact CG-SD 4.11Å; N83-M87 PolarHBondContact O-N 3.27Å; Q84-M87 WeakPolarHBondContact O-CB 3.44Å; Q84-M87 PolarHBondContact O-N 3.39Å; Q84-M87 VanDerWaalsContact O-N 3.17Å; M87-L90 HydrophobicContact CE-CD2 4.23Å; M87-L90 HydrophobicContact SD-CD2 4.33Å; M87-Y91 PolarHBondContact O-N 3.09Å
88D90.8Very high91.8Very high21 Ų2118.3 Ų18.311%0.1129%0.092CC..Hα-helixtrans-65.8-48.9175.1-78.3-42.9000111R68 Q84 A85 S86 L90 Y91 D92 R326R68-D88 IonicContact CZ-OD1 2.68Å; R68-D88 IonicContact NE-OD1 2.75Å; R68-D88 PolarHBondContact NE-OD1 3.07Å; R68-D88 IonicContact NH1-OD1 2.93Å; R68-D88 IonicContact NH2-OD1 3.68Å; R68-D88 PolarHBondContact NH2-OD1 3.32Å; Q84-D88 PolarHBondContact NE2-OD2 2.83Å; Q84-D88 WeakPolarHBondContact O-CB 3.4Å; Q84-D88 PolarHBondContact O-N 3.44Å; A85-D88 WeakPolarHBondContact O-CB 3.47Å; A85-D88 PolarHBondContact O-N 3.05Å; S86-D88 VanDerWaalsContact C-N 3.33Å; D88-L90 VanDerWaalsContact C-N 3.32Å; D88-L90 PolarHBondContact O-N 3.45Å; D88-Y91 PolarHBondContact O-N 2.85Å; D88-D92 WeakPolarHBondContact O-CB 3.46Å; D88-D92 VanDerWaalsContact O-CG 3.32Å; D88-D92 PolarHBondContact O-N 2.94Å; D88-R326 VanDerWaalsContact CG-CZ 3.41Å; D88-R326 IonicContact OD1-CZ 3.72Å; D88-R326 IonicContact OD1-NH1 2.69Å; D88-R326 PolarHBondContact OD1-NH1 3.16Å; D88-R326 IonicContact OD1-NH2 3.3Å; D88-R326 PolarHBondContact OD1-NH2 3.3Å; D88-R326 IonicContact OD2-CZ 3.36Å; D88-R326 IonicContact OD2-NH1 2.99Å; D88-R326 PolarHBondContact OD2-NH1 3.3Å
89K91.7Very high92.3Very high46 Ų4619.1 Ų19.120%0.210%0.095CC..Hα-helixtrans-60.4-41.2176.7-172.759.4171.2-171.70112.4A85 S86 D92 L93 L312 F313A85-K89 WeakPolarHBondContact O-CB 3.34Å; A85-K89 PolarHBondContact O-N 3.46Å; S86-K89 PolarHBondContact O-N 3.4Å; K89-D92 PolarHBondContact O-N 2.99Å; K89-L93 HydrophobicContact CD-CG 4.39Å; K89-L93 HydrophobicContact CG-CD1 4.16Å; K89-L93 HydrophobicContact CG-CG 4.45Å; K89-L93 WeakPolarHBondContact O-CB 3.26Å; K89-L93 VanDerWaalsContact O-CG 3.24Å; K89-L93 WeakPolarHBondContact O-CG 3.3Å; K89-L93 PolarHBondContact O-N 3.44Å; K89-L312 HydrophobicContact CB-CB 4.48Å; K89-L312 HydrophobicContact CB-CD2 4.16Å; K89-L312 HydrophobicContact CG-CB 4.44Å; K89-L312 HydrophobicContact CG-CD2 4.13Å; K89-F313 HydrophobicContact CB-CE1 4.45Å; K89-F313 HydrophobicContact CB-CE2 4.21Å; K89-F313 HydrophobicContact CB-CZ 3.73Å; K89-F313 HydrophobicContact CD-CE1 4.37Å; K89-F313 HydrophobicContact CD-CZ 4.36Å; K89-F313 HydrophobicContact CG-CE1 4.18Å; K89-F313 HydrophobicContact CG-CZ 3.96Å
90L94.5Very high92.9Very high1 Ų120 Ų201%0.00510%0.097CC..Hα-helixtrans-58.3-50.9178178.359.5000110.6M17 I20 L21 A75 L82 S86 M87 D88 D92 L93 M94 L312M17-L90 HydrophobicContact CG-CD1 4.19Å; M17-L90 HydrophobicContact CG-CD2 4.03Å; M17-L90 HydrophobicContact CG-CG 4.33Å; I20-L90 HydrophobicContact CB-CD1 3.82Å; I20-L90 HydrophobicContact CD1-CD1 3.96Å; I20-L90 HydrophobicContact CG2-CD1 3.57Å; L21-L90 HydrophobicContact CD2-CD1 4.44Å; L21-L90 HydrophobicContact CD2-CD2 4.15Å; L21-L90 HydrophobicContact CG-CD1 4.48Å; A75-L90 HydrophobicContact CB-CD2 4.34Å; L82-L90 HydrophobicContact CD1-CD2 3.92Å; S86-L90 VanDerWaalsContact O-CB 3.26Å; S86-L90 WeakPolarHBondContact O-CB 3.47Å; S86-L90 PolarHBondContact O-N 3.13Å; M87-L90 HydrophobicContact CE-CD2 4.23Å; M87-L90 HydrophobicContact SD-CD2 4.33Å; D88-L90 VanDerWaalsContact C-N 3.32Å; D88-L90 PolarHBondContact O-N 3.45Å; L90-D92 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 3.39Å; L90-M94 HydrophobicContact CD1-CG 4.36Å; L90-M94 HydrophobicContact CD1-SD 4.01Å; L90-M94 HydrophobicContact CG-SD 3.73Å; L90-M94 WeakPolarHBondContact O-CG 3.32Å; L90-M94 PolarHBondContact O-N 2.99Å; L90-L312 HydrophobicContact CB-CD2 3.73Å; L90-L312 HydrophobicContact CD1-CD2 4.3Å
91Y95.1Very high93.2Very high6 Ų620.2 Ų20.22%0.02410%0.098CC..Hα-helixtrans-65.4-40-179.2-169-104.1000112.7K64 R68 Y71 M87 D88 L93 M94 T95K64-Y91 PolarHBondContact O-OH 3.21Å; R68-Y91 HydrophobicContact CB-CD1 4.37Å; R68-Y91 HydrophobicContact CB-CD2 4.33Å; R68-Y91 HydrophobicContact CB-CE1 4.04Å; R68-Y91 HydrophobicContact CB-CE2 4.03Å; R68-Y91 HydrophobicContact CB-CG 4.49Å; R68-Y91 HydrophobicContact CG-CD1 4.43Å; R68-Y91 HydrophobicContact CG-CD2 4.45Å; R68-Y91 HydrophobicContact CG-CG 4.35Å; R68-Y91 VanDerWaalsContact NH1-CB 3.31Å; Y71-Y91 HydrophobicContact CD2-CD2 4.27Å; Y71-Y91 AromaticContact CD2-CE2 3.87Å; Y71-Y91 HydrophobicContact CD2-CE2 3.87Å; M87-Y91 PolarHBondContact O-N 3.09Å; D88-Y91 PolarHBondContact O-N 2.85Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.4Å; Y91-M94 HydrophobicContact CD2-CE 4.43Å; Y91-M94 PolarHBondContact O-N 3.19Å; Y91-T95 HydrophobicContact CD1-CG2 4.1Å; Y91-T95 HydrophobicContact CE1-CG2 3.79Å; Y91-T95 HydrophobicContact CE2-CG2 4.24Å; Y91-T95 HydrophobicContact CG-CG2 4.48Å; Y91-T95 WeakPolarHBondContact O-CB 3.34Å; Y91-T95 VanDerWaalsContact O-CG2 3.3Å; Y91-T95 WeakPolarHBondContact O-CG2 3.21Å; Y91-T95 PolarHBondContact O-N 2.91Å; Y91-T95 PolarHBondContact O-OG1 2.91Å
92D94.3Very high93.6Very high14 Ų1415.9 Ų15.98%0.0758%0.079CC..Hα-helixtrans-62.1-41.5175.6-74.82.6000111.6D88 K89 L90 T95 M96 I171 R326D88-D92 WeakPolarHBondContact O-CB 3.46Å; D88-D92 VanDerWaalsContact O-CG 3.32Å; D88-D92 PolarHBondContact O-N 2.94Å; K89-D92 PolarHBondContact O-N 2.99Å; L90-D92 PolarHBondContact O-N 3.28Å; D92-T95 PolarHBondContact O-OG1 3.02Å; D92-T95 VanDerWaalsContact O-OG1 3.12Å; D92-M96 WeakPolarHBondContact O-CB 3.37Å; D92-M96 VanDerWaalsContact O-CG 3.3Å; D92-M96 WeakPolarHBondContact O-CG 3.42Å; D92-M96 PolarHBondContact O-N 3.08Å; D92-I171 HydrophobicContact CB-CD1 3.85Å; D92-I171 HydrophobicContact CB-CG2 4.09Å; D92-R326 IonicContact OD1-NH2 2.79Å; D92-R326 PolarHBondContact OD1-NH2 2.83Å; D92-R326 IonicContact OD2-NE 3.55Å
93L95.3Very high94Very high19 Ų1917.7 Ų17.710%0.0999%0.089CC..Hα-helixtrans-66-47.4176.2-72.7174.7000111.9I20 K89 L90 Y91 T95 A97 V173 L312I20-L93 HydrophobicContact CD1-CB 3.62Å; I20-L93 HydrophobicContact CD1-CD1 4.48Å; I20-L93 HydrophobicContact CG2-CD1 4.31Å; K89-L93 HydrophobicContact CD-CG 4.39Å; K89-L93 HydrophobicContact CG-CD1 4.16Å; K89-L93 HydrophobicContact CG-CG 4.45Å; K89-L93 WeakPolarHBondContact O-CB 3.26Å; K89-L93 VanDerWaalsContact O-CG 3.24Å; K89-L93 WeakPolarHBondContact O-CG 3.3Å; K89-L93 PolarHBondContact O-N 3.44Å; L90-L93 PolarHBondContact O-N 3.39Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.4Å; L93-T95 PolarHBondContact O-N 3.43Å; L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 3.24Å; L93-V173 HydrophobicContact CD2-CB 4.45Å; L93-V173 HydrophobicContact CD2-CG1 3.59Å; L93-V173 HydrophobicContact CD2-CG2 4.14Å; L93-L312 HydrophobicContact CD1-CD2 4.33Å
94M96.8Very high94.3Very high1 Ų117.3 Ų17.31%0.0059%0.087CC..Hα-helixtrans-57.7-49.5178.3-67.6158.55200111.6L13 E16 M17 I20 Y71 L90 Y91 A97 F98L13-M94 HydrophobicContact CB-CE 4.11Å; L13-M94 HydrophobicContact CD2-CB 4.06Å; L13-M94 WeakPolarHBondContact CD2-O 3.23Å; L13-M94 WeakPolarHBondContact O-CE 3.01Å; E16-M94 HydrophobicContact CB-CB 4.14Å; E16-M94 HydrophobicContact CB-CG 4.08Å; M17-M94 HydrophobicContact CB-CE 3.78Å; M17-M94 HydrophobicContact CB-CG 4.11Å; M17-M94 HydrophobicContact CB-SD 3.56Å; M17-M94 VanDerWaalsContact CB-SD 3.56Å; M17-M94 HydrophobicContact CG-CE 4.3Å; M17-M94 HydrophobicContact CG-SD 3.77Å; M17-M94 HydrophobicContact SD-SD 4.5Å; I20-M94 HydrophobicContact CD1-CG 3.73Å; Y71-M94 HydrophobicContact CD1-CE 3.56Å; Y71-M94 HydrophobicContact CD2-CE 3.99Å; Y71-M94 HydrophobicContact CE1-CE 3.8Å; Y71-M94 HydrophobicContact CE2-CE 4.19Å; Y71-M94 HydrophobicContact CG-CE 3.67Å; L90-M94 HydrophobicContact CD1-CG 4.36Å; L90-M94 HydrophobicContact CD1-SD 4.01Å; L90-M94 HydrophobicContact CG-SD 3.73Å; L90-M94 WeakPolarHBondContact O-CG 3.32Å; L90-M94 PolarHBondContact O-N 2.99Å; Y91-M94 HydrophobicContact CD2-CE 4.43Å; Y91-M94 PolarHBondContact O-N 3.19Å; M94-A97 PolarHBondContact O-N 3.35Å; M94-F98 PolarHBondContact O-N 2.9Å
95T96.2Very high94.6Very high3 Ų313.9 Ų13.92%0.0187%0.071CC..Hα-helixtrans-66.9-43.5-176.752.40000111.9L13 Y91 D92 L93 K99L13-T95 HydrophobicContact CD2-CG2 4.14Å; Y91-T95 HydrophobicContact CD1-CG2 4.1Å; Y91-T95 HydrophobicContact CE1-CG2 3.79Å; Y91-T95 HydrophobicContact CE2-CG2 4.24Å; Y91-T95 HydrophobicContact CG-CG2 4.48Å; Y91-T95 WeakPolarHBondContact O-CB 3.34Å; Y91-T95 VanDerWaalsContact O-CG2 3.3Å; Y91-T95 WeakPolarHBondContact O-CG2 3.21Å; Y91-T95 PolarHBondContact O-N 2.91Å; Y91-T95 PolarHBondContact O-OG1 2.91Å; D92-T95 PolarHBondContact O-OG1 3.02Å; D92-T95 VanDerWaalsContact O-OG1 3.12Å; L93-T95 PolarHBondContact O-N 3.43Å; T95-K99 WeakPolarHBondContact O-CB 3.28Å; T95-K99 PolarHBondContact O-N 2.93Å
96M96.3Very high94.7Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-68.9-36177.4-69.6-54.1-67.600112.5D92 K99 Y100 L169 I171 V173 F176 F188D92-M96 WeakPolarHBondContact O-CB 3.37Å; D92-M96 VanDerWaalsContact O-CG 3.3Å; D92-M96 WeakPolarHBondContact O-CG 3.42Å; D92-M96 PolarHBondContact O-N 3.08Å; M96-K99 HydrophobicContact CE-CD 4.28Å; M96-K99 HydrophobicContact SD-CD 4.15Å; M96-Y100 WeakPolarHBondContact O-CB 3.3Å; M96-Y100 PolarHBondContact O-N 2.75Å; M96-L169 HydrophobicContact SD-CB 4.16Å; M96-I171 WeakPolarHBondContact CE-O 3.33Å; M96-I171 HydrophobicContact CG-CB 3.84Å; M96-I171 HydrophobicContact CG-CD1 4.23Å; M96-I171 HydrophobicContact SD-CB 4.18Å; M96-I171 HydrophobicContact SD-CD1 4.47Å; M96-V173 HydrophobicContact CB-CG2 3.77Å; M96-V173 HydrophobicContact CG-CG2 4.05Å; M96-F176 HydrophobicContact CB-CE2 4.32Å; M96-F188 HydrophobicContact CB-CZ 4.49Å; M96-F188 HydrophobicContact CE-CD2 4.44Å; M96-F188 HydrophobicContact CE-CE2 3.53Å; M96-F188 HydrophobicContact CE-CZ 3.67Å; M96-F188 WeakPolarHBondContact O-CZ 3.3Å
97A96.7Very high94.8Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-65.5-49.7176.400000112E16 L93 M94 Y100 Q101 F176 M250 Y251E16-A97 HydrophobicContact CG-CB 4.15Å; L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 3.24Å; M94-A97 PolarHBondContact O-N 3.35Å; A97-Y100 WeakPolarHBondContact O-CB 3.45Å; A97-Y100 PolarHBondContact O-N 3Å; A97-Q101 WeakPolarHBondContact O-CG 3.32Å; A97-Q101 PolarHBondContact O-N 2.95Å; A97-Q101 VanDerWaalsContact O-N 3.13Å; A97-F176 HydrophobicContact CB-CZ 4.3Å; A97-M250 HydrophobicContact CB-SD 3.81Å; A97-Y251 WeakPolarHBondContact CB-OH 3.35Å
98F97.9Very high94.9Very high1 Ų118.9 Ų18.90%0.00410%0.096CC..Hα-helixtrans-69.3-36.9178.9-175.2-136.4000112.2L9 N12 L13 E16 M94 Y100 Q101 V102 V111 V114 L162 F166L9-F98 HydrophobicContact CD1-CD1 4.13Å; L9-F98 HydrophobicContact CD1-CE1 3.95Å; N12-F98 HydrophobicContact CB-CD1 3.83Å; N12-F98 HydrophobicContact CB-CD2 3.52Å; N12-F98 HydrophobicContact CB-CE1 3.7Å; N12-F98 HydrophobicContact CB-CE2 3.33Å; N12-F98 HydrophobicContact CB-CG 3.8Å; N12-F98 HydrophobicContact CB-CZ 3.46Å; N12-F98 VanDerWaalsContact CB-CZ 3.46Å; N12-F98 VanDerWaalsContact CG-CZ 3.47Å; N12-F98 WeakPolarHBondContact ND2-CE2 3.49Å; N12-F98 WeakPolarHBondContact ND2-CZ 3.25Å; L13-F98 HydrophobicContact CD2-CB 3.98Å; L13-F98 HydrophobicContact CD2-CD1 4.2Å; L13-F98 HydrophobicContact CG-CD1 4.18Å; E16-F98 HydrophobicContact CG-CB 4.37Å; M94-F98 PolarHBondContact O-N 2.9Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 2.94Å; F98-Q101 HydrophobicContact CD2-CB 4.4Å; F98-Q101 PolarHBondContact O-N 3.44Å; F98-Q101 VanDerWaalsContact O-N 3.12Å; F98-V102 HydrophobicContact CD2-CG2 4.03Å; F98-V102 HydrophobicContact CE1-CG2 4.09Å; F98-V102 HydrophobicContact CE2-CG2 3.56Å; F98-V102 HydrophobicContact CG-CG2 4.47Å; F98-V102 HydrophobicContact CZ-CG2 3.56Å; F98-V102 WeakPolarHBondContact O-CG2 3.49Å; F98-V102 PolarHBondContact O-N 3.32Å; F98-V111 HydrophobicContact CZ-CG1 4.46Å; F98-V114 HydrophobicContact CE2-CG1 4.25Å; F98-L162 HydrophobicContact CE1-CD2 4.09Å; F98-L162 HydrophobicContact CZ-CD1 4.27Å; F98-L162 HydrophobicContact CZ-CD2 4.49Å; F98-F166 HydrophobicContact CB-CZ 4.45Å; F98-F166 AromaticContact CD1-CE2 3.78Å; F98-F166 HydrophobicContact CD1-CE2 3.78Å; F98-F166 AromaticContact CD1-CZ 3.47Å; F98-F166 HydrophobicContact CD1-CZ 3.47Å; F98-F166 VanDerWaalsContact CD1-CZ 3.47Å; F98-F166 AromaticContact CE1-CE2 3.97Å; F98-F166 HydrophobicContact CE1-CE2 3.97Å; F98-F166 HydrophobicContact CE1-CZ 4.02Å; F98-F166 HydrophobicContact CG-CZ 4.3Å
99K97.6Very high95.1Very high25 Ų2521.1 Ų21.111%0.10911%0.105CC..Hα-helixtrans-52.3-48.3169.8174.9178.3-177.2158.10111.5T95 M96 Q101 V102 L103 F166 L169 F188T95-K99 WeakPolarHBondContact O-CB 3.28Å; T95-K99 PolarHBondContact O-N 2.93Å; M96-K99 HydrophobicContact CE-CD 4.28Å; M96-K99 HydrophobicContact SD-CD 4.15Å; K99-Q101 VanDerWaalsContact C-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.93Å; K99-V102 PolarHBondContact O-N 3.23Å; K99-L103 HydrophobicContact CG-CD1 4.1Å; K99-L103 WeakPolarHBondContact O-CG 3.35Å; K99-L103 PolarHBondContact O-N 3.43Å; K99-F166 HydrophobicContact CB-CB 4.04Å; K99-F166 HydrophobicContact CB-CD1 3.9Å; K99-F166 HydrophobicContact CB-CD2 4.2Å; K99-F166 HydrophobicContact CB-CE1 4.49Å; K99-F166 HydrophobicContact CB-CG 3.78Å; K99-F166 HydrophobicContact CD-CB 3.9Å; K99-F166 HydrophobicContact CG-CB 3.79Å; K99-F166 HydrophobicContact CG-CG 4.1Å; K99-F166 PolarHBondContact NZ-O 3.46Å; K99-L169 PolarHBondContact NZ-O 2.82Å; K99-F188 HydrophobicContact CB-CE2 4.42Å; K99-F188 HydrophobicContact CD-CD2 4.45Å; K99-F188 HydrophobicContact CD-CE2 4Å; K99-F188 HydrophobicContact CG-CD2 4.45Å; K99-F188 HydrophobicContact CG-CE2 4.01Å
100Y96.8Very high95.2Very high29 Ų2919.2 Ų19.211%0.11410%0.097CC..Hα-helixtrans-59.3-44.2178.9-175.4-122.8000111.6M96 A97 F98 L103 L104 F176 V181 F188 M250M96-Y100 WeakPolarHBondContact O-CB 3.3Å; M96-Y100 PolarHBondContact O-N 2.75Å; A97-Y100 WeakPolarHBondContact O-CB 3.45Å; A97-Y100 PolarHBondContact O-N 3Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 2.94Å; Y100-L103 PolarHBondContact O-N 2.82Å; Y100-L104 HydrophobicContact CD1-CD1 4.01Å; Y100-L104 HydrophobicContact CD2-CD1 4.37Å; Y100-L104 HydrophobicContact CD2-CG 4.43Å; Y100-L104 HydrophobicContact CE1-CD1 3.45Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.45Å; Y100-L104 HydrophobicContact CE1-CG 4.46Å; Y100-L104 HydrophobicContact CE2-CD1 3.87Å; Y100-L104 HydrophobicContact CE2-CD2 4.43Å; Y100-L104 HydrophobicContact CE2-CG 4.11Å; Y100-L104 HydrophobicContact CG-CD1 4.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.37Å; Y100-L104 PolarHBondContact O-N 3.07Å; Y100-F176 AromaticContact CD1-CE1 3.97Å; Y100-F176 HydrophobicContact CD1-CE1 3.97Å; Y100-F176 HydrophobicContact CD1-CZ 4.25Å; Y100-F176 HydrophobicContact CE1-CE1 4.39Å; Y100-F176 HydrophobicContact CG-CE1 4.47Å; Y100-F176 HydrophobicContact CG-CZ 4.46Å; Y100-V181 HydrophobicContact CE1-CG2 4.4Å; Y100-V181 HydrophobicContact CE2-CB 4.06Å; Y100-V181 HydrophobicContact CE2-CG2 4.25Å; Y100-V181 WeakPolarHBondContact OH-CB 3.38Å; Y100-V181 VanDerWaalsContact OH-CG1 3.28Å; Y100-V181 WeakPolarHBondContact OH-CG1 3.48Å; Y100-F188 HydrophobicContact CD2-CB 4.26Å; Y100-F188 AromaticContact CD2-CD1 3.3Å; Y100-F188 HydrophobicContact CD2-CD1 3.3Å; Y100-F188 HydrophobicContact CD2-CD2 4.17Å; Y100-F188 AromaticContact CD2-CE1 3.54Å; Y100-F188 HydrophobicContact CD2-CE1 3.54Å; Y100-F188 HydrophobicContact CD2-CE2 4.35Å; Y100-F188 AromaticContact CD2-CG 3.66Å; Y100-F188 HydrophobicContact CD2-CG 3.66Å; Y100-F188 HydrophobicContact CD2-CZ 4.07Å; Y100-F188 AromaticContact CE2-CD1 3.81Å; Y100-F188 HydrophobicContact CE2-CD1 3.81Å; Y100-F188 HydrophobicContact CE2-CE1 4.3Å; Y100-F188 HydrophobicContact CE2-CG 4.3Å; Y100-F188 HydrophobicContact CG-CD1 4.09Å; Y100-F188 AromaticContact CG-CE1 3.84Å; Y100-F188 HydrophobicContact CG-CE1 3.84Å; Y100-F188 HydrophobicContact CG-CZ 4.12Å; Y100-M250 HydrophobicContact CD1-CE 4.31Å
101Q96.4Very high95.3Very high5 Ų519.2 Ų19.22%0.02310%0.097CC..Hα-helixtrans-65.3-42179-64.9172.735.800112.4E16 A97 F98 K99 L103 L104 C105 V114 L246 G247E16-Q101 PolarHBondContact OE1-NE2 3.41Å; A97-Q101 WeakPolarHBondContact O-CG 3.32Å; A97-Q101 PolarHBondContact O-N 2.95Å; A97-Q101 VanDerWaalsContact O-N 3.13Å; F98-Q101 HydrophobicContact CD2-CB 4.4Å; F98-Q101 PolarHBondContact O-N 3.44Å; F98-Q101 VanDerWaalsContact O-N 3.12Å; K99-Q101 VanDerWaalsContact C-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.93Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.14Å; Q101-L104 PolarHBondContact O-N 3.12Å; Q101-L104 VanDerWaalsContact O-N 3.16Å; Q101-C105 PolarHBondContact O-N 3.25Å; Q101-C105 PolarHBondContact O-SG 3.47Å; Q101-V114 HydrophobicContact CB-CG1 4.48Å; Q101-L246 HydrophobicContact CG-CD2 4.41Å; Q101-G247 VanDerWaalsContact OE1-CA 3.27Å
102V97.1Very high95.4Very high1 Ų119 Ų191%0.00610%0.096CC..Hα-helixtrans-62.5-38175.91740000111.7F98 K99 L104 R159 L162 L163 F166F98-V102 HydrophobicContact CD2-CG2 4.03Å; F98-V102 HydrophobicContact CE1-CG2 4.09Å; F98-V102 HydrophobicContact CE2-CG2 3.56Å; F98-V102 HydrophobicContact CG-CG2 4.47Å; F98-V102 HydrophobicContact CZ-CG2 3.56Å; F98-V102 WeakPolarHBondContact O-CG2 3.49Å; F98-V102 PolarHBondContact O-N 3.32Å; K99-V102 PolarHBondContact O-N 3.23Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-R159 HydrophobicContact CG1-CG 4.3Å; V102-R159 PolarHBondContact O-NE 3.23Å; V102-R159 PolarHBondContact O-NH2 3.35Å; V102-L162 HydrophobicContact CG1-CB 4.14Å; V102-L162 HydrophobicContact CG1-CD1 4.49Å; V102-L162 HydrophobicContact CG2-CD1 4.11Å; V102-L163 HydrophobicContact CG1-CD2 3.91Å; V102-L163 HydrophobicContact CG1-CG 4.18Å; V102-F166 HydrophobicContact CG2-CE2 4.36Å
103L95.4Very high95.5Very high51 Ų5118.6 Ų18.627%0.2679%0.094SC..Hα-helixtrans-65.8-36.6175.3-71.3168.2000112K99 Y100 Q101 R159 L163 F188 L190K99-L103 HydrophobicContact CG-CD1 4.1Å; K99-L103 WeakPolarHBondContact O-CG 3.35Å; K99-L103 PolarHBondContact O-N 3.43Å; Y100-L103 PolarHBondContact O-N 2.82Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.14Å; L103-R159 PolarHBondContact O-NH2 2.96Å; L103-L163 HydrophobicContact CD2-CD2 3.68Å; L103-L163 HydrophobicContact CG-CD2 4.34Å; L103-F188 HydrophobicContact CD1-CB 4.34Å; L103-F188 HydrophobicContact CD1-CD2 3.7Å; L103-F188 HydrophobicContact CD1-CG 4.38Å; L103-L190 HydrophobicContact CB-CD1 4.44Å; L103-L190 HydrophobicContact CB-CD2 3.88Å; L103-L190 HydrophobicContact CD1-CD2 4.46Å
104L94.2Very high95.6Very high39 Ų3917.7 Ų17.720%0.2049%0.089CC..Hα-helixtrans-83.4-12.3-179.1-70.4-175.4000115.1Y100 Q101 V102 P106 L190 P191 L246Y100-L104 HydrophobicContact CD1-CD1 4.01Å; Y100-L104 HydrophobicContact CD2-CD1 4.37Å; Y100-L104 HydrophobicContact CD2-CG 4.43Å; Y100-L104 HydrophobicContact CE1-CD1 3.45Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.45Å; Y100-L104 HydrophobicContact CE1-CG 4.46Å; Y100-L104 HydrophobicContact CE2-CD1 3.87Å; Y100-L104 HydrophobicContact CE2-CD2 4.43Å; Y100-L104 HydrophobicContact CE2-CG 4.11Å; Y100-L104 HydrophobicContact CG-CD1 4.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.37Å; Y100-L104 PolarHBondContact O-N 3.07Å; Q101-L104 PolarHBondContact O-N 3.12Å; Q101-L104 VanDerWaalsContact O-N 3.16Å; V102-L104 VanDerWaalsContact C-N 3.33Å; L104-P106 WeakPolarHBondContact O-CD 3.32Å; L104-P106 VanDerWaalsContact O-N 3.15Å; L104-L190 HydrophobicContact CD2-CD2 4.04Å; L104-P191 HydrophobicContact CD2-CG 3.8Å; L104-L246 HydrophobicContact CB-CD1 3.9Å; L104-L246 HydrophobicContact CB-CD2 3.96Å; L104-L246 HydrophobicContact CD1-CD2 3.93Å
105C93.3Very high95.7Very high3 Ų317.7 Ų17.72%0.029%0.089CC..  trans-57.1118.5178-75.10000110.6Q101 D110 V111 R159Q101-C105 PolarHBondContact O-N 3.25Å; Q101-C105 PolarHBondContact O-SG 3.47Å; C105-D110 HydrophobicContact CB-CB 4.43Å; C105-V111 HydrophobicContact CB-CG2 4.28Å; C105-R159 PolarHBondContact O-NH1 2.68Å; C105-R159 PolarHBondContact O-NH2 3.09Å
106P89.5Confident95.8Very high57 Ų5717.5 Ų17.537%0.379%0.088SC..SBendtrans-64.6-46.6-179.8-22.233.5000111.5L104 D110 P197L104-P106 WeakPolarHBondContact O-CD 3.32Å; L104-P106 VanDerWaalsContact O-N 3.15Å; P106-D110 WeakPolarHBondContact CD-OD2 3.18Å; P106-P197 HydrophobicContact CB-CB 4.27Å; P106-P197 HydrophobicContact CB-CG 3.8Å
107R92.4Very high95.8Very high45 Ų4518.3 Ų18.317%0.179%0.093CC..SBendtrans-109.8150174.2-52.6175.4-65.7173.86.8110.3K109 D110 P197 E233R107-K109 PolarHBondContact O-N 3.38Å; R107-D110 VanDerWaalsContact CB-OD2 3.27Å; R107-D110 WeakPolarHBondContact CB-OD2 3.33Å; R107-D110 WeakPolarHBondContact CG-OD2 3.44Å; R107-D110 IonicContact CZ-OD1 2.88Å; R107-D110 VanDerWaalsContact CZ-OD1 3.3Å; R107-D110 PolarHBondContact N-OD2 3.38Å; R107-D110 IonicContact NE-OD1 3.49Å; R107-D110 PolarHBondContact NE-OD1 3.02Å; R107-D110 IonicContact NE-OD2 3.85Å; R107-D110 PolarHBondContact NE-OD2 3.45Å; R107-D110 IonicContact NH2-OD1 2.72Å; R107-D110 PolarHBondContact NH2-OD1 3.47Å; R107-D110 WeakPolarHBondContact O-CB 3.39Å; R107-D110 PolarHBondContact O-N 2.85Å; R107-P197 HydrophobicContact CG-CB 3.62Å; R107-P197 HydrophobicContact CG-CG 4.3Å; R107-E233 IonicContact CZ-OE1 2.73Å; R107-E233 IonicContact NH1-OE1 3.31Å; R107-E233 PolarHBondContact NH1-OE1 3.33Å; R107-E233 IonicContact NH2-OE1 3.53Å
108P94.4Very high95.9Very high29 Ų2918.4 Ų18.419%0.1889%0.093CC..THydrogen-bonded Turntrans-57.7-35.9173.3-26.537.4000113.5D110 V111 F155 Q156 R159P108-D110 PolarHBondContact O-N 3.44Å; P108-V111 WeakPolarHBondContact O-CG2 3.31Å; P108-V111 PolarHBondContact O-N 3.02Å; P108-F155 HydrophobicContact CB-CB 3.81Å; P108-Q156 HydrophobicContact CG-CB 4.3Å; P108-R159 HydrophobicContact CB-CB 4.19Å
109K94.7Very high95.8Very high68 Ų6818.4 Ų18.430%0.2969%0.093SC..THydrogen-bonded Turntrans-64-24.3175.3-174.9174.4-179.3-178.70113.3R107 V111 L112 F155 F236R107-K109 PolarHBondContact O-N 3.38Å; K109-V111 PolarHBondContact O-N 3.42Å; K109-L112 WeakPolarHBondContact O-CB 3.41Å; K109-L112 PolarHBondContact O-N 2.88Å; K109-F155 HydrophobicContact CB-CD1 4.35Å; K109-F155 HydrophobicContact CB-CD2 3.97Å; K109-F155 HydrophobicContact CB-CE2 4.14Å; K109-F155 HydrophobicContact CB-CG 4.07Å; K109-F155 HydrophobicContact CB-CZ 4.42Å; K109-F155 HydrophobicContact CD-CD2 4.49Å; K109-F155 HydrophobicContact CD-CE2 4.04Å; K109-F155 HydrophobicContact CG-CD2 4.08Å; K109-F155 HydrophobicContact CG-CE1 4.28Å; K109-F155 HydrophobicContact CG-CE2 3.72Å; K109-F155 HydrophobicContact CG-CG 4.5Å; K109-F155 HydrophobicContact CG-CZ 3.84Å; K109-F236 HydrophobicContact CD-CE1 4.35Å; K109-F236 HydrophobicContact CD-CZ 4.01Å; K109-F236 HydrophobicContact CG-CE1 3.97Å; K109-F236 HydrophobicContact CG-CZ 3.88Å
110D94.8Very high95.8Very high7 Ų719.5 Ų19.54%0.03710%0.1CC..Hα-helixtrans-68.1-16.1-178.5-61.3-27.5000112.4C105 P106 R107 P108 L112 L113 V114 L244C105-D110 HydrophobicContact CB-CB 4.43Å; P106-D110 WeakPolarHBondContact CD-OD2 3.18Å; R107-D110 VanDerWaalsContact CB-OD2 3.27Å; R107-D110 WeakPolarHBondContact CB-OD2 3.33Å; R107-D110 WeakPolarHBondContact CG-OD2 3.44Å; R107-D110 IonicContact CZ-OD1 2.88Å; R107-D110 VanDerWaalsContact CZ-OD1 3.3Å; R107-D110 PolarHBondContact N-OD2 3.38Å; R107-D110 IonicContact NE-OD1 3.49Å; R107-D110 PolarHBondContact NE-OD1 3.02Å; R107-D110 IonicContact NE-OD2 3.85Å; R107-D110 PolarHBondContact NE-OD2 3.45Å; R107-D110 IonicContact NH2-OD1 2.72Å; R107-D110 PolarHBondContact NH2-OD1 3.47Å; R107-D110 WeakPolarHBondContact O-CB 3.39Å; R107-D110 PolarHBondContact O-N 2.85Å; P108-D110 PolarHBondContact O-N 3.44Å; D110-L112 PolarHBondContact O-N 3.38Å; D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 2.93Å; D110-V114 WeakPolarHBondContact O-CG2 3.35Å; D110-V114 PolarHBondContact O-N 3.06Å; D110-L244 HydrophobicContact CB-CD2 4.09Å
111V96.8Very high95.7Very high1 Ų120.1 Ų20.11%0.00611%0.107CC..Hα-helixtrans-57.5-32.9169.5176.50000111.3L8 F98 C105 P108 K109 V114 T115 L162L8-V111 HydrophobicContact CD1-CG1 4.28Å; F98-V111 HydrophobicContact CZ-CG1 4.46Å; C105-V111 HydrophobicContact CB-CG2 4.28Å; P108-V111 WeakPolarHBondContact O-CG2 3.31Å; P108-V111 PolarHBondContact O-N 3.02Å; K109-V111 PolarHBondContact O-N 3.42Å; V111-V114 WeakPolarHBondContact O-CB 3.26Å; V111-V114 PolarHBondContact O-N 3.01Å; V111-T115 PolarHBondContact O-N 3.24Å; V111-T115 VanDerWaalsContact O-N 3.11Å; V111-T115 PolarHBondContact O-OG1 3.32Å; V111-T115 VanDerWaalsContact O-OG1 3.13Å; V111-L162 HydrophobicContact CG1-CD1 3.88Å
112L96.9Very high95.7Very high2 Ų219.9 Ų19.91%0.0111%0.106CC..Hα-helixtrans-69.3-36.3175.9-174.663.1000111.7L8 K109 D110 V114 T115 F116 L143 Y147 F155 F236L8-L112 HydrophobicContact CD2-CD1 4Å; K109-L112 WeakPolarHBondContact O-CB 3.41Å; K109-L112 PolarHBondContact O-N 2.88Å; D110-L112 PolarHBondContact O-N 3.38Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-T115 WeakPolarHBondContact O-CB 3.13Å; L112-T115 PolarHBondContact O-N 2.92Å; L112-F116 HydrophobicContact CD1-CD1 4.48Å; L112-F116 HydrophobicContact CD1-CE1 3.86Å; L112-F116 HydrophobicContact CD1-CE2 4.37Å; L112-F116 HydrophobicContact CD1-CZ 3.8Å; L112-F116 HydrophobicContact CD2-CE2 4.14Å; L112-F116 HydrophobicContact CD2-CZ 4.05Å; L112-F116 HydrophobicContact CG-CD2 4.36Å; L112-F116 HydrophobicContact CG-CE1 4.22Å; L112-F116 HydrophobicContact CG-CE2 3.82Å; L112-F116 HydrophobicContact CG-CZ 3.74Å; L112-F116 WeakPolarHBondContact O-CG 3.5Å; L112-F116 PolarHBondContact O-N 2.92Å; L112-L143 HydrophobicContact CD1-CB 4.4Å; L112-L143 HydrophobicContact CD1-CD2 4.34Å; L112-Y147 HydrophobicContact CD1-CG 4.39Å; L112-F155 HydrophobicContact CB-CE1 4.32Å; L112-F155 HydrophobicContact CD2-CZ 4.24Å; L112-F236 HydrophobicContact CB-CE1 4.2Å; L112-F236 HydrophobicContact CD2-CD1 3.85Å; L112-F236 HydrophobicContact CD2-CE1 4.09Å; L112-F236 HydrophobicContact CG-CD1 4.25Å; L112-F236 HydrophobicContact CG-CE1 4.35Å
113L96.3Very high95.5Very high4 Ų421.2 Ų21.22%0.02111%0.111CC..Hα-helixtrans-65.4-36.8173.3-65.8175.8000111.7D110 T115 F116 N117 S235 F236 L244D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 2.93Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-F116 PolarHBondContact O-N 3.23Å; L113-N117 PolarHBondContact O-N 3.26Å; L113-S235 VanDerWaalsContact CD2-O 3.25Å; L113-S235 WeakPolarHBondContact CD2-O 3.2Å; L113-F236 HydrophobicContact CD1-CE1 4.38Å; L113-F236 HydrophobicContact CD1-CE2 4.33Å; L113-F236 HydrophobicContact CD1-CZ 3.86Å; L113-F236 HydrophobicContact CD2-CD1 3.73Å; L113-F236 HydrophobicContact CD2-CD2 4.12Å; L113-F236 HydrophobicContact CD2-CE1 3.55Å; L113-F236 HydrophobicContact CD2-CE2 3.95Å; L113-F236 HydrophobicContact CD2-CG 4.01Å; L113-F236 HydrophobicContact CD2-CZ 3.66Å; L113-F236 HydrophobicContact CG-CD1 4.27Å; L113-F236 HydrophobicContact CG-CE1 3.58Å; L113-F236 HydrophobicContact CG-CE2 4.26Å; L113-F236 HydrophobicContact CG-CZ 3.57Å; L113-L244 HydrophobicContact CB-CD2 3.83Å
114V97.8Very high95.4Very high1 Ų121.4 Ų21.41%0.00613%0.126CC..Hα-helixtrans-56.9-49.7171.5177.30000110F98 Q101 D110 V111 L112 F116 N117 H118 L244 L246F98-V114 HydrophobicContact CE2-CG1 4.25Å; Q101-V114 HydrophobicContact CB-CG1 4.48Å; D110-V114 WeakPolarHBondContact O-CG2 3.35Å; D110-V114 PolarHBondContact O-N 3.06Å; V111-V114 WeakPolarHBondContact O-CB 3.26Å; V111-V114 PolarHBondContact O-N 3.01Å; L112-V114 VanDerWaalsContact C-N 3.32Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.5Å; V114-N117 WeakPolarHBondContact O-CB 3.4Å; V114-N117 PolarHBondContact O-N 2.9Å; V114-N117 VanDerWaalsContact O-N 3.14Å; V114-H118 PolarHBondContact O-N 2.89Å; V114-H118 PolarHBondContact O-ND1 3.28Å; V114-H118 VanDerWaalsContact O-ND1 3.09Å; V114-L244 HydrophobicContact CG2-CD2 3.83Å; V114-L246 HydrophobicContact CG2-CB 3.64Å; V114-L246 HydrophobicContact CG2-CD1 4.45Å
115T98.2Very high95.4Very high0 Ų020.6 Ų20.60%012%0.121CC..Hα-helixtrans-60.7-41.1178-54.40000112.4L8 L11 N12 V111 L112 L113 H118 L119 L143L8-T115 HydrophobicContact CD2-CG2 4.23Å; L11-T115 HydrophobicContact CB-CG2 3.93Å; L11-T115 HydrophobicContact CD1-CG2 4.15Å; N12-T115 PolarHBondContact ND2-OG1 3.41Å; N12-T115 WeakPolarHBondContact OD1-CA 3.32Å; N12-T115 PolarHBondContact OD1-N 3.47Å; N12-T115 PolarHBondContact OD1-OG1 2.89Å; V111-T115 PolarHBondContact O-N 3.24Å; V111-T115 VanDerWaalsContact O-N 3.11Å; V111-T115 PolarHBondContact O-OG1 3.32Å; V111-T115 VanDerWaalsContact O-OG1 3.13Å; L112-T115 WeakPolarHBondContact O-CB 3.13Å; L112-T115 PolarHBondContact O-N 2.92Å; L113-T115 VanDerWaalsContact C-N 3.32Å; T115-H118 WeakPolarHBondContact O-CB 3.15Å; T115-H118 PolarHBondContact O-N 3.45Å; T115-L119 WeakPolarHBondContact O-CG 3.31Å; T115-L119 PolarHBondContact O-N 3.01Å; T115-L143 HydrophobicContact CG2-CD1 3.85Å
116F97.7Very high95.4Very high0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-65-38.4175.9-65.9-19.4000112.7L112 L113 V114 H118 L119 D120 F140 L143 F236L112-F116 HydrophobicContact CD1-CD1 4.48Å; L112-F116 HydrophobicContact CD1-CE1 3.86Å; L112-F116 HydrophobicContact CD1-CE2 4.37Å; L112-F116 HydrophobicContact CD1-CZ 3.8Å; L112-F116 HydrophobicContact CD2-CE2 4.14Å; L112-F116 HydrophobicContact CD2-CZ 4.05Å; L112-F116 HydrophobicContact CG-CD2 4.36Å; L112-F116 HydrophobicContact CG-CE1 4.22Å; L112-F116 HydrophobicContact CG-CE2 3.82Å; L112-F116 HydrophobicContact CG-CZ 3.74Å; L112-F116 WeakPolarHBondContact O-CG 3.5Å; L112-F116 PolarHBondContact O-N 2.92Å; L113-F116 PolarHBondContact O-N 3.23Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.5Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 3.3Å; F116-L119 HydrophobicContact CD1-CD1 4.37Å; F116-L119 PolarHBondContact O-N 3.33Å; F116-D120 WeakPolarHBondContact O-CB 3.4Å; F116-D120 PolarHBondContact O-N 3.29Å; F116-F140 HydrophobicContact CB-CE2 3.94Å; F116-F140 HydrophobicContact CB-CZ 4.42Å; F116-F140 AromaticContact CD1-CD2 3.86Å; F116-F140 HydrophobicContact CD1-CD2 3.86Å; F116-F140 HydrophobicContact CD1-CE1 4.48Å; F116-F140 AromaticContact CD1-CE2 3.37Å; F116-F140 HydrophobicContact CD1-CE2 3.37Å; F116-F140 AromaticContact CD1-CZ 3.71Å; F116-F140 HydrophobicContact CD1-CZ 3.71Å; F116-F140 HydrophobicContact CD2-CE2 4.13Å; F116-F140 AromaticContact CD2-CZ 3.81Å; F116-F140 HydrophobicContact CD2-CZ 3.81Å; F116-F140 HydrophobicContact CE1-CD1 4.42Å; F116-F140 HydrophobicContact CE1-CD2 4.1Å; F116-F140 HydrophobicContact CE1-CE1 4.08Å; F116-F140 AromaticContact CE1-CE2 3.77Å; F116-F140 HydrophobicContact CE1-CE2 3.77Å; F116-F140 HydrophobicContact CE1-CG 4.41Å; F116-F140 AromaticContact CE1-CZ 3.73Å; F116-F140 HydrophobicContact CE1-CZ 3.73Å; F116-F140 HydrophobicContact CE2-CE1 4.35Å; F116-F140 HydrophobicContact CE2-CE2 4.46Å; F116-F140 AromaticContact CE2-CZ 3.83Å; F116-F140 HydrophobicContact CE2-CZ 3.83Å; F116-F140 HydrophobicContact CG-CD2 4.47Å; F116-F140 AromaticContact CG-CE2 3.56Å; F116-F140 HydrophobicContact CG-CE2 3.56Å; F116-F140 AromaticContact CG-CZ 3.74Å; F116-F140 HydrophobicContact CG-CZ 3.74Å; F116-F140 HydrophobicContact CZ-CE1 4Å; F116-F140 HydrophobicContact CZ-CE2 4.3Å; F116-F140 AromaticContact CZ-CZ 3.79Å; F116-F140 HydrophobicContact CZ-CZ 3.79Å; F116-L143 HydrophobicContact CD1-CD1 4.29Å; F116-L143 HydrophobicContact CE1-CB 3.82Å; F116-L143 HydrophobicContact CE1-CD1 3.87Å; F116-L143 HydrophobicContact CZ-CB 4.36Å; F116-F236 HydrophobicContact CD2-CD1 4.34Å; F116-F236 HydrophobicContact CE2-CB 4.05Å; F116-F236 AromaticContact CE2-CD1 3.89Å; F116-F236 HydrophobicContact CE2-CD1 3.89Å; F116-F236 HydrophobicContact CE2-CG 4.43Å; F116-F236 WeakPolarHBondContact CE2-O 3.41Å
117N97.5Very high95.1Very high17 Ų1722.7 Ų22.79%0.09113%0.126CC..Hα-helixtrans-60.7-39.7171.8-86.6-39.4000112.6L113 V114 T121 R242 L244 L246 T248L113-N117 PolarHBondContact O-N 3.26Å; V114-N117 WeakPolarHBondContact O-CB 3.4Å; V114-N117 PolarHBondContact O-N 2.9Å; V114-N117 VanDerWaalsContact O-N 3.14Å; N117-T121 PolarHBondContact O-N 2.79Å; N117-T121 VanDerWaalsContact O-N 3.12Å; N117-T121 PolarHBondContact O-OG1 3.45Å; N117-R242 WeakPolarHBondContact OD1-CB 3.32Å; N117-R242 WeakPolarHBondContact OD1-CG 3.29Å; N117-L244 PolarHBondContact ND2-O 2.89Å; N117-L246 PolarHBondContact ND2-O 3Å; N117-T248 HydrophobicContact CB-CG2 4.46Å
118H97.9Very high94.8Very high1 Ų127.6 Ų27.61%0.00516%0.156CC..Hα-helixtrans-62.4-49.1172.5-71.1110.6000111.4N12 E16 Y19 V114 T115 F116 D120 T121 I122N12-H118 PolarHBondContact OD1-ND1 3.48Å; E16-H118 IonicContact OE1-CD2 3.25Å; E16-H118 IonicContact OE1-CE1 2.9Å; E16-H118 PolarHBondContact OE1-CE1 3.46Å; E16-H118 IonicContact OE1-NE2 2.95Å; E16-H118 PolarHBondContact OE1-NE2 3.26Å; Y19-H118 AromaticContact CE2-CD2 3.45Å; Y19-H118 VanDerWaalsContact CE2-CD2 3.45Å; Y19-H118 WeakPolarHBondContact CE2-CD2 3.41Å; Y19-H118 AromaticContact CE2-NE2 3.74Å; Y19-H118 AromaticContact CZ-CD2 3.66Å; V114-H118 PolarHBondContact O-N 2.89Å; V114-H118 PolarHBondContact O-ND1 3.28Å; V114-H118 VanDerWaalsContact O-ND1 3.09Å; T115-H118 WeakPolarHBondContact O-CB 3.15Å; T115-H118 PolarHBondContact O-N 3.45Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 3.3Å; H118-D120 PolarHBondContact O-N 2.91Å; H118-T121 PolarHBondContact O-N 3.37Å; H118-I122 WeakPolarHBondContact O-CB 3.41Å; H118-I122 WeakPolarHBondContact O-CG1 3.41Å; H118-I122 PolarHBondContact O-N 2.89Å
119L97.4Very high94.7Very high1 Ų127.7 Ų27.71%0.00516%0.157CC..Hα-helixtrans-61-42.8179-66.6-175000112.2L11 F47 T115 F116 T121 I122 K123 V136 F140 L143L11-L119 HydrophobicContact CD2-CD2 4.5Å; F47-L119 HydrophobicContact CE1-CD2 3.67Å; F47-L119 HydrophobicContact CZ-CD2 3.59Å; T115-L119 WeakPolarHBondContact O-CG 3.31Å; T115-L119 PolarHBondContact O-N 3.01Å; F116-L119 HydrophobicContact CD1-CD1 4.37Å; F116-L119 PolarHBondContact O-N 3.33Å; L119-T121 VanDerWaalsContact C-N 3.3Å; L119-T121 PolarHBondContact O-N 3.32Å; L119-I122 HydrophobicContact CD2-CD1 4.42Å; L119-I122 PolarHBondContact O-N 3.22Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.87Å; L119-V136 HydrophobicContact CD2-CG1 4.22Å; L119-F140 HydrophobicContact CB-CD2 4.43Å; L119-F140 HydrophobicContact CD1-CB 4.21Å; L119-F140 HydrophobicContact CD1-CD2 3.87Å; L119-F140 HydrophobicContact CD1-CG 4.43Å; L119-L143 HydrophobicContact CD1-CD1 3.54Å
120D95.6Very high94.6Very high49 Ų4929.3 Ų29.326%0.26217%0.174SC..Hα-helixtrans-59.7-42.3177.7-69.4-23.8000111.1F116 H118 K123 G124 R242F116-D120 WeakPolarHBondContact O-CB 3.4Å; F116-D120 PolarHBondContact O-N 3.29Å; H118-D120 PolarHBondContact O-N 2.91Å; D120-K123 PolarHBondContact O-N 2.67Å; D120-G124 PolarHBondContact O-N 3.43Å; D120-R242 IonicContact OD1-NH2 2.89Å; D120-R242 PolarHBondContact OD1-NH2 2.84Å; D120-R242 IonicContact OD2-CZ 3.42Å; D120-R242 VanDerWaalsContact OD2-CZ 3.25Å; D120-R242 IonicContact OD2-NE 3Å; D120-R242 PolarHBondContact OD2-NE 2.68Å; D120-R242 IonicContact OD2-NH2 3.6Å; D120-R242 PolarHBondContact OD2-NH2 2.94Å
121T94.8Very high94.6Very high42 Ų4233.3 Ų33.326%0.25820%0.199SC..Hα-helixtrans-72.3-38177.6-50.20000112Y19 N117 H118 L119 K123 G124 F125Y19-T121 HydrophobicContact CD1-CG2 4.26Å; Y19-T121 HydrophobicContact CE1-CG2 3.36Å; Y19-T121 VanDerWaalsContact OH-CB 3.27Å; Y19-T121 WeakPolarHBondContact OH-CB 3.38Å; Y19-T121 PolarHBondContact OH-OG1 3.3Å; Y19-T121 VanDerWaalsContact OH-OG1 3.07Å; N117-T121 PolarHBondContact O-N 2.79Å; N117-T121 VanDerWaalsContact O-N 3.12Å; N117-T121 PolarHBondContact O-OG1 3.45Å; H118-T121 PolarHBondContact O-N 3.37Å; L119-T121 VanDerWaalsContact C-N 3.3Å; L119-T121 PolarHBondContact O-N 3.32Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.3Å; T121-G124 WeakPolarHBondContact O-CA 3.4Å; T121-G124 PolarHBondContact O-N 2.9Å; T121-F125 HydrophobicContact CG2-CE1 4.28Å; T121-F125 HydrophobicContact CG2-CE2 4.18Å; T121-F125 HydrophobicContact CG2-CZ 3.84Å; T121-F125 PolarHBondContact O-N 3.19Å
122I96.3Very high94.5Very high0 Ų033.9 Ų33.90%020%0.202CC..Hα-helixtrans-58.9-42.6174.5-71168.4000110.6L18 I43 F47 H118 L119 G124 F125 I126 V136L18-I122 HydrophobicContact CD1-CD1 3.86Å; L18-I122 HydrophobicContact CD1-CG1 3.66Å; L18-I122 HydrophobicContact CD1-CG2 4.36Å; I43-I122 HydrophobicContact CD1-CG2 4.04Å; I43-I122 HydrophobicContact CG1-CG2 4.14Å; I43-I122 HydrophobicContact CG2-CG2 3.92Å; F47-I122 HydrophobicContact CE2-CD1 4.18Å; F47-I122 HydrophobicContact CE2-CG2 3.95Å; F47-I122 HydrophobicContact CZ-CD1 4.05Å; F47-I122 HydrophobicContact CZ-CG2 4.33Å; H118-I122 WeakPolarHBondContact O-CB 3.41Å; H118-I122 WeakPolarHBondContact O-CG1 3.41Å; H118-I122 PolarHBondContact O-N 2.89Å; L119-I122 HydrophobicContact CD2-CD1 4.42Å; L119-I122 PolarHBondContact O-N 3.22Å; I122-G124 PolarHBondContact O-N 2.98Å; I122-F125 WeakPolarHBondContact O-CB 3.41Å; I122-F125 PolarHBondContact O-N 3.17Å; I122-I126 PolarHBondContact O-N 3.33Å; I122-V136 HydrophobicContact CG2-CG2 4.27Å
123K94.9Very high94.5Very high28 Ų2836.9 Ų36.912%0.12222%0.218CC..Hα-helixtrans-56.8-38.2173.2-69176.7-170.1-174.10111.7L119 D120 T121 F125 I126 L133 V136 D137 L238L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.87Å; D120-K123 PolarHBondContact O-N 2.67Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.3Å; K123-F125 VanDerWaalsContact C-N 3.28Å; K123-F125 PolarHBondContact O-N 3.34Å; K123-I126 PolarHBondContact O-N 3.08Å; K123-L133 HydrophobicContact CB-CD1 3.94Å; K123-L133 HydrophobicContact CD-CD1 4.29Å; K123-L133 HydrophobicContact CG-CD1 3.81Å; K123-V136 HydrophobicContact CD-CG1 4.46Å; K123-V136 HydrophobicContact CG-CB 4.41Å; K123-V136 HydrophobicContact CG-CG1 3.76Å; K123-D137 WeakPolarHBondContact CE-OD1 3.49Å; K123-D137 IonicContact NZ-OD1 3.21Å; K123-D137 PolarHBondContact NZ-OD1 2.88Å; K123-L238 VanDerWaalsContact NZ-CD1 3.28Å
124G93.1Very high94.5Very high56 Ų5642.6 Ų42.658%0.57724%0.244SC*.Hα-helixtrans-67.2-21.617500000115D120 T121 I122D120-G124 PolarHBondContact O-N 3.43Å; T121-G124 WeakPolarHBondContact O-CA 3.4Å; T121-G124 PolarHBondContact O-N 2.9Å; I122-G124 PolarHBondContact O-N 2.98Å
125F93.3Very high94.4Very high21 Ų2144.8 Ų44.89%0.09225%0.254CS..Hα-helixtrans-79.9-26.1173.2-63-35.6000113.1L18 Y19 D22 L39 I43 T121 I122 K123 Q127L18-F125 HydrophobicContact CB-CD2 4.21Å; L18-F125 HydrophobicContact CB-CE2 3.94Å; Y19-F125 AromaticContact CD1-CE2 3.84Å; Y19-F125 HydrophobicContact CD1-CE2 3.84Å; Y19-F125 AromaticContact CD1-CZ 3.8Å; Y19-F125 HydrophobicContact CD1-CZ 3.8Å; Y19-F125 HydrophobicContact CE1-CE2 4.06Å; Y19-F125 HydrophobicContact CE1-CZ 4.13Å; D22-F125 HydrophobicContact CB-CE1 4.21Å; D22-F125 HydrophobicContact CB-CZ 4.18Å; L39-F125 HydrophobicContact CD1-CB 4.28Å; L39-F125 HydrophobicContact CD1-CD1 4.39Å; L39-F125 HydrophobicContact CD1-CG 4.3Å; I43-F125 HydrophobicContact CD1-CB 3.91Å; T121-F125 HydrophobicContact CG2-CE1 4.28Å; T121-F125 HydrophobicContact CG2-CE2 4.18Å; T121-F125 HydrophobicContact CG2-CZ 3.84Å; T121-F125 PolarHBondContact O-N 3.19Å; I122-F125 WeakPolarHBondContact O-CB 3.41Å; I122-F125 PolarHBondContact O-N 3.17Å; K123-F125 VanDerWaalsContact C-N 3.28Å; K123-F125 PolarHBondContact O-N 3.34Å; F125-Q127 PolarHBondContact O-N 3.25Å
126I93.4Very high94.3Very high20 Ų2044.8 Ų44.810%0.10325%0.254CS..  trans-73.7122.4-178.7-58.6165000108.9I43 I122 K123 I132 L133 V136I43-I126 HydrophobicContact CD1-CG1 4Å; I43-I126 HydrophobicContact CG2-CD1 4.04Å; I43-I126 HydrophobicContact CG2-CG1 4.13Å; I122-I126 PolarHBondContact O-N 3.33Å; K123-I126 PolarHBondContact O-N 3.08Å; I126-I132 HydrophobicContact CD1-CB 4.41Å; I126-I132 HydrophobicContact CD1-CG2 3.71Å; I126-I132 HydrophobicContact CG1-CG2 4.04Å; I126-I132 HydrophobicContact CG2-CB 4.23Å; I126-I132 HydrophobicContact CG2-CG2 4.43Å; I126-L133 HydrophobicContact CD1-CD1 4.35Å; I126-L133 HydrophobicContact CG2-CB 4.48Å; I126-V136 HydrophobicContact CD1-CG2 3.8Å
127Q83.6Confident94.2Very high85 Ų8546.2 Ų46.240%0.39726%0.262SS..  trans-125.9141.7173-61.8-171.112.100110R36 N40 F125 S129R36-Q127 VanDerWaalsContact CD-CD 3.45Å; N40-Q127 PolarHBondContact ND2-O 3.12Å; F125-Q127 PolarHBondContact O-N 3.25Å; Q127-S129 PolarHBondContact O-N 3.46Å
128D84.8Confident94.1Very high148 Ų14848.8 Ų48.879%0.79127%0.274SS*.SBendtrans55.326.3172.9-51.1-45.1000114.6R36R36-D128 IonicContact NH1-OD2 3.41Å; R36-D128 PolarHBondContact NH1-OD2 3.45Å
129S92.2Very high94.1Very high30 Ų3048.9 Ų48.921%0.2127%0.274CS..  trans-139.683.1-180-169.20000112.9Q127 T131 I132 L133Q127-S129 PolarHBondContact O-N 3.46Å; S129-T131 PolarHBondContact O-N 2.97Å; S129-I132 PolarHBondContact O-N 3.16Å; S129-I132 WeakPolarHBondContact OG-CD1 3.37Å; S129-I132 WeakPolarHBondContact OG-CG1 3.3Å; S129-L133 PolarHBondContact O-N 3.19Å
130P93.9Very high94.1Very high102 Ų10249 Ų4966%0.66227%0.274SS*.Hα-helixtrans-59.4-33179.3-24.234.4000113.4L133 Q134P130-L133 PolarHBondContact O-N 3.37Å; P130-Q134 WeakPolarHBondContact O-CB 3.12Å; P130-Q134 PolarHBondContact O-N 3.49Å
131T94.9Very high94.1Very high91 Ų9152.9 Ų52.956%0.55829%0.285SS*.Hα-helixtrans-64.9-43179.8-50.40000112.2S129 L133 Q134 Q135S129-T131 PolarHBondContact O-N 2.97Å; T131-L133 VanDerWaalsContact C-N 3.35Å; T131-Q134 PolarHBondContact O-N 3.36Å; T131-Q135 WeakPolarHBondContact O-CG 3.45Å; T131-Q135 PolarHBondContact O-N 3.22Å; T131-Q135 VanDerWaalsContact O-N 3.11Å
132I94.9Very high94.2Very high13 Ų1352.4 Ų52.47%0.06728%0.281CS..Hα-helixtrans-68.2-40.8177.7-59.8171.1000109.4N40 I43 I126 S129 Q134 Q135 V136N40-I132 HydrophobicContact CB-CD1 4.15Å; I43-I132 HydrophobicContact CB-CG2 4.21Å; I43-I132 HydrophobicContact CG2-CG2 3.46Å; I43-I132 VanDerWaalsContact CG2-CG2 3.46Å; I126-I132 HydrophobicContact CD1-CB 4.41Å; I126-I132 HydrophobicContact CD1-CG2 3.71Å; I126-I132 HydrophobicContact CG1-CG2 4.04Å; I126-I132 HydrophobicContact CG2-CB 4.23Å; I126-I132 HydrophobicContact CG2-CG2 4.43Å; S129-I132 PolarHBondContact O-N 3.16Å; S129-I132 WeakPolarHBondContact OG-CD1 3.37Å; S129-I132 WeakPolarHBondContact OG-CG1 3.3Å; I132-Q134 VanDerWaalsContact C-N 3.32Å; I132-Q134 PolarHBondContact O-N 3.23Å; I132-Q135 WeakPolarHBondContact O-CB 3.34Å; I132-Q135 PolarHBondContact O-N 3.43Å; I132-Q135 VanDerWaalsContact O-N 3.13Å; I132-V136 PolarHBondContact O-N 3.2Å; I132-V136 VanDerWaalsContact O-N 3.07Å
133L95.9Very high94.2Very high66 Ų6652.4 Ų52.435%0.34628%0.281SS..Hα-helixtrans-58.2-45.6176.2-175.365000111.4K123 I126 S129 P130 T131 Q135 V136 D137K123-L133 HydrophobicContact CB-CD1 3.94Å; K123-L133 HydrophobicContact CD-CD1 4.29Å; K123-L133 HydrophobicContact CG-CD1 3.81Å; I126-L133 HydrophobicContact CD1-CD1 4.35Å; I126-L133 HydrophobicContact CG2-CB 4.48Å; S129-L133 PolarHBondContact O-N 3.19Å; P130-L133 PolarHBondContact O-N 3.37Å; T131-L133 VanDerWaalsContact C-N 3.35Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.88Å; L133-V136 PolarHBondContact O-N 2.68Å; L133-V136 VanDerWaalsContact O-N 3.16Å; L133-D137 PolarHBondContact O-N 3.44Å
134Q95.6Very high94.3Very high124 Ų12453.5 Ų53.558%0.57929%0.29SS*.Hα-helixtrans-60.9-37.2176.1-172.4-177.610.900112.4P130 T131 I132 D137 E138P130-Q134 WeakPolarHBondContact O-CB 3.12Å; P130-Q134 PolarHBondContact O-N 3.49Å; T131-Q134 PolarHBondContact O-N 3.36Å; I132-Q134 VanDerWaalsContact C-N 3.32Å; I132-Q134 PolarHBondContact O-N 3.23Å; Q134-D137 PolarHBondContact O-N 3.47Å; Q134-E138 WeakPolarHBondContact O-CB 3.36Å; Q134-E138 PolarHBondContact O-N 3.1Å
135Q95.7Very high94.4Very high46 Ų4658.7 Ų58.722%0.21530%0.299CS..Hα-helixtrans-63.6-42175.2-72.4172.9-2800111.8F47 T131 I132 L133 E138 T139F47-Q135 HydrophobicContact CB-CB 4.12Å; T131-Q135 WeakPolarHBondContact O-CG 3.45Å; T131-Q135 PolarHBondContact O-N 3.22Å; T131-Q135 VanDerWaalsContact O-N 3.11Å; I132-Q135 WeakPolarHBondContact O-CB 3.34Å; I132-Q135 PolarHBondContact O-N 3.43Å; I132-Q135 VanDerWaalsContact O-N 3.13Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.88Å; Q135-E138 PolarHBondContact O-N 2.75Å; Q135-T139 PolarHBondContact O-N 3.42Å; Q135-T139 PolarHBondContact O-OG1 2.88Å
136V97.1Very high94.5Very high0 Ų060.2 Ų60.20%031%0.307CS..Hα-helixtrans-66.9-40.7176.2-179.60000111.5I43 F47 L119 I122 K123 I126 I132 L133 E138 T139 F140I43-V136 HydrophobicContact CG2-CG2 4.16Å; F47-V136 HydrophobicContact CB-CG2 4.39Å; F47-V136 HydrophobicContact CD1-CB 4.45Å; F47-V136 HydrophobicContact CD1-CG2 3.92Å; F47-V136 HydrophobicContact CD2-CG2 3.89Å; F47-V136 HydrophobicContact CE1-CG1 4.28Å; F47-V136 HydrophobicContact CE1-CG2 4.11Å; F47-V136 HydrophobicContact CE2-CG2 4.1Å; F47-V136 HydrophobicContact CG-CG2 3.8Å; F47-V136 HydrophobicContact CZ-CG1 4.48Å; F47-V136 HydrophobicContact CZ-CG2 4.2Å; L119-V136 HydrophobicContact CD2-CG1 4.22Å; I122-V136 HydrophobicContact CG2-CG2 4.27Å; K123-V136 HydrophobicContact CD-CG1 4.46Å; K123-V136 HydrophobicContact CG-CB 4.41Å; K123-V136 HydrophobicContact CG-CG1 3.76Å; I126-V136 HydrophobicContact CD1-CG2 3.8Å; I132-V136 PolarHBondContact O-N 3.2Å; I132-V136 VanDerWaalsContact O-N 3.07Å; L133-V136 PolarHBondContact O-N 2.68Å; L133-V136 VanDerWaalsContact O-N 3.16Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 2.84Å; V136-T139 PolarHBondContact O-N 2.94Å; V136-F140 PolarHBondContact O-N 2.88Å
137D95.8Very high94.6Very high30 Ų3059.3 Ų59.316%0.1630%0.303CS..Hα-helixtrans-63.7-37.2175.1-75.3-27.3000112.5K123 L133 Q134 F140 R141K123-D137 WeakPolarHBondContact CE-OD1 3.49Å; K123-D137 IonicContact NZ-OD1 3.21Å; K123-D137 PolarHBondContact NZ-OD1 2.88Å; L133-D137 PolarHBondContact O-N 3.44Å; Q134-D137 PolarHBondContact O-N 3.47Å; D137-F140 WeakPolarHBondContact O-CB 3.41Å; D137-F140 PolarHBondContact O-N 2.72Å; D137-R141 WeakPolarHBondContact O-CG 3.5Å; D137-R141 PolarHBondContact O-N 3.25Å
138E96.1Very high95.1Very high72 Ų7257.3 Ų57.334%0.33630%0.304SS..Hα-helixtrans-63.5-47.1173.2-175.858.9-14300111.5Q134 Q135 V136 F140 R141 Q142Q134-E138 WeakPolarHBondContact O-CB 3.36Å; Q134-E138 PolarHBondContact O-N 3.1Å; Q135-E138 PolarHBondContact O-N 2.75Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 2.84Å; E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 3.3Å; E138-R141 PolarHBondContact O-N 3.03Å; E138-R141 VanDerWaalsContact O-N 3.11Å; E138-R141 IonicContact OE2-CZ 2.66Å; E138-R141 IonicContact OE2-NE 3.48Å; E138-R141 IonicContact OE2-NH1 3.08Å; E138-R141 IonicContact OE2-NH2 3.58Å; E138-R141 PolarHBondContact OE2-NH2 3.03Å; E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 2.65Å; E138-Q142 PolarHBondContact OE1-NE2 3.01Å
139T97.3Very high95.5Very high3 Ų353.8 Ų53.82%0.01830%0.303CS..Hα-helixtrans-59.9-37.7174.8-62.40000112.1L11 F47 M52 F56 Q135 V136 Q142 L143L11-T139 HydrophobicContact CD1-CG2 3.85Å; L11-T139 HydrophobicContact CD2-CG2 4.17Å; F47-T139 HydrophobicContact CD1-CG2 4.16Å; F47-T139 HydrophobicContact CE1-CG2 3.94Å; M52-T139 HydrophobicContact SD-CG2 3.98Å; F56-T139 HydrophobicContact CE2-CG2 3.91Å; F56-T139 HydrophobicContact CZ-CG2 3.91Å; Q135-T139 PolarHBondContact O-N 3.42Å; Q135-T139 PolarHBondContact O-OG1 2.88Å; V136-T139 PolarHBondContact O-N 2.94Å; T139-Q142 PolarHBondContact O-N 3.25Å; T139-L143 WeakPolarHBondContact O-CG 3.26Å; T139-L143 PolarHBondContact O-N 3.18Å
140F97Very high95.6Very high2 Ų253.3 Ų53.31%0.00930%0.298CS..Hα-helixtrans-59.9-48.6173.3-167.8-71.2000111.1F116 L119 V136 D137 E138 Q142 L143 T144 E237 L238F116-F140 HydrophobicContact CB-CE2 3.94Å; F116-F140 HydrophobicContact CB-CZ 4.42Å; F116-F140 AromaticContact CD1-CD2 3.86Å; F116-F140 HydrophobicContact CD1-CD2 3.86Å; F116-F140 HydrophobicContact CD1-CE1 4.48Å; F116-F140 AromaticContact CD1-CE2 3.37Å; F116-F140 HydrophobicContact CD1-CE2 3.37Å; F116-F140 AromaticContact CD1-CZ 3.71Å; F116-F140 HydrophobicContact CD1-CZ 3.71Å; F116-F140 HydrophobicContact CD2-CE2 4.13Å; F116-F140 AromaticContact CD2-CZ 3.81Å; F116-F140 HydrophobicContact CD2-CZ 3.81Å; F116-F140 HydrophobicContact CE1-CD1 4.42Å; F116-F140 HydrophobicContact CE1-CD2 4.1Å; F116-F140 HydrophobicContact CE1-CE1 4.08Å; F116-F140 AromaticContact CE1-CE2 3.77Å; F116-F140 HydrophobicContact CE1-CE2 3.77Å; F116-F140 HydrophobicContact CE1-CG 4.41Å; F116-F140 AromaticContact CE1-CZ 3.73Å; F116-F140 HydrophobicContact CE1-CZ 3.73Å; F116-F140 HydrophobicContact CE2-CE1 4.35Å; F116-F140 HydrophobicContact CE2-CE2 4.46Å; F116-F140 AromaticContact CE2-CZ 3.83Å; F116-F140 HydrophobicContact CE2-CZ 3.83Å; F116-F140 HydrophobicContact CG-CD2 4.47Å; F116-F140 AromaticContact CG-CE2 3.56Å; F116-F140 HydrophobicContact CG-CE2 3.56Å; F116-F140 AromaticContact CG-CZ 3.74Å; F116-F140 HydrophobicContact CG-CZ 3.74Å; F116-F140 HydrophobicContact CZ-CE1 4Å; F116-F140 HydrophobicContact CZ-CE2 4.3Å; F116-F140 AromaticContact CZ-CZ 3.79Å; F116-F140 HydrophobicContact CZ-CZ 3.79Å; L119-F140 HydrophobicContact CB-CD2 4.43Å; L119-F140 HydrophobicContact CD1-CB 4.21Å; L119-F140 HydrophobicContact CD1-CD2 3.87Å; L119-F140 HydrophobicContact CD1-CG 4.43Å; V136-F140 PolarHBondContact O-N 2.88Å; D137-F140 WeakPolarHBondContact O-CB 3.41Å; D137-F140 PolarHBondContact O-N 2.72Å; E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 3.3Å; F140-Q142 VanDerWaalsContact C-N 3.34Å; F140-Q142 PolarHBondContact O-N 3.39Å; F140-L143 WeakPolarHBondContact O-CB 3.42Å; F140-L143 PolarHBondContact O-N 2.99Å; F140-L143 VanDerWaalsContact O-N 3.17Å; F140-T144 WeakPolarHBondContact CE1-OG1 3.36Å; F140-T144 PolarHBondContact O-N 3.16Å; F140-T144 PolarHBondContact O-OG1 3.09Å; F140-E237 VanDerWaalsContact CZ-O 3.25Å; F140-E237 WeakPolarHBondContact CZ-O 3.37Å; F140-L238 HydrophobicContact CB-CD1 3.82Å; F140-L238 HydrophobicContact CD1-CB 4.36Å; F140-L238 HydrophobicContact CD1-CD1 3.45Å; F140-L238 VanDerWaalsContact CD1-CD1 3.45Å; F140-L238 HydrophobicContact CD2-CD1 3.98Å; F140-L238 VanDerWaalsContact CE1-CA 3.43Å; F140-L238 HydrophobicContact CE1-CB 4.22Å; F140-L238 HydrophobicContact CE1-CD1 4.03Å; F140-L238 HydrophobicContact CE2-CD1 4.46Å; F140-L238 HydrophobicContact CG-CD1 3.46Å; F140-L238 VanDerWaalsContact CG-CD1 3.46Å; F140-L238 HydrophobicContact CZ-CD1 4.5Å
141R96.1Very high95.7Very high131 Ų13151.3 Ų51.349%0.49429%0.287SS..Hα-helixtrans-60.4-42.5178.9-73.6-174.7-74.7159.6-7.7112.2D137 E138 L143 T144 E145D137-R141 WeakPolarHBondContact O-CG 3.5Å; D137-R141 PolarHBondContact O-N 3.25Å; E138-R141 PolarHBondContact O-N 3.03Å; E138-R141 VanDerWaalsContact O-N 3.11Å; E138-R141 IonicContact OE2-CZ 2.66Å; E138-R141 IonicContact OE2-NE 3.48Å; E138-R141 IonicContact OE2-NH1 3.08Å; E138-R141 IonicContact OE2-NH2 3.58Å; E138-R141 PolarHBondContact OE2-NH2 3.03Å; R141-L143 VanDerWaalsContact C-N 3.34Å; R141-L143 PolarHBondContact O-N 3.23Å; R141-T144 PolarHBondContact O-N 3.11Å; R141-E145 PolarHBondContact O-N 3.33Å
142Q96.2Very high95.7Very high33 Ų3351 Ų5115%0.15429%0.293CS..Hα-helixtrans-61.6-39.8175.2-69.4179.523.400112.3F56 E138 T139 F140 E145 I146F56-Q142 HydrophobicContact CE1-CB 4.32Å; F56-Q142 HydrophobicContact CZ-CB 4.44Å; E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 2.65Å; E138-Q142 PolarHBondContact OE1-NE2 3.01Å; T139-Q142 PolarHBondContact O-N 3.25Å; F140-Q142 VanDerWaalsContact C-N 3.34Å; F140-Q142 PolarHBondContact O-N 3.39Å; Q142-E145 PolarHBondContact O-N 3.04Å; Q142-I146 WeakPolarHBondContact O-CB 3.45Å; Q142-I146 VanDerWaalsContact O-CG1 3.3Å; Q142-I146 WeakPolarHBondContact O-CG1 3.15Å; Q142-I146 PolarHBondContact O-N 2.72Å
143L97.3Very high95.7Very high0 Ų052.5 Ų52.50%031%0.312CS..Hα-helixtrans-62-45.9173-75.6167.1000111.7L8 L11 F56 L112 T115 F116 L119 T139 F140 R141 E145 I146 Y147L8-L143 HydrophobicContact CD2-CD2 3.8Å; L11-L143 HydrophobicContact CD1-CD1 3.78Å; L11-L143 HydrophobicContact CD1-CD2 4.14Å; L11-L143 HydrophobicContact CD1-CG 4.26Å; F56-L143 HydrophobicContact CE1-CD2 3.72Å; F56-L143 HydrophobicContact CE1-CG 3.97Å; F56-L143 HydrophobicContact CZ-CD2 3.89Å; F56-L143 HydrophobicContact CZ-CG 3.86Å; L112-L143 HydrophobicContact CD1-CB 4.4Å; L112-L143 HydrophobicContact CD1-CD2 4.34Å; T115-L143 HydrophobicContact CG2-CD1 3.85Å; F116-L143 HydrophobicContact CD1-CD1 4.29Å; F116-L143 HydrophobicContact CE1-CB 3.82Å; F116-L143 HydrophobicContact CE1-CD1 3.87Å; F116-L143 HydrophobicContact CZ-CB 4.36Å; L119-L143 HydrophobicContact CD1-CD1 3.54Å; T139-L143 WeakPolarHBondContact O-CG 3.26Å; T139-L143 PolarHBondContact O-N 3.18Å; F140-L143 WeakPolarHBondContact O-CB 3.42Å; F140-L143 PolarHBondContact O-N 2.99Å; F140-L143 VanDerWaalsContact O-N 3.17Å; R141-L143 VanDerWaalsContact C-N 3.34Å; R141-L143 PolarHBondContact O-N 3.23Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.13Å; L143-I146 PolarHBondContact O-N 3.49Å; L143-Y147 HydrophobicContact CB-CD2 4.46Å; L143-Y147 HydrophobicContact CD2-CD2 3.83Å; L143-Y147 HydrophobicContact CD2-CE2 3.6Å; L143-Y147 WeakPolarHBondContact O-CB 3.17Å; L143-Y147 VanDerWaalsContact O-CD2 3.28Å; L143-Y147 WeakPolarHBondContact O-CD2 3.42Å; L143-Y147 PolarHBondContact O-N 3.03Å
144T95.8Very high95.8Very high51 Ų5152.7 Ų52.731%0.31331%0.311SS..Hα-helixtrans-62-42.5179-58.50000111.4F140 R141 G148F140-T144 WeakPolarHBondContact CE1-OG1 3.36Å; F140-T144 PolarHBondContact O-N 3.16Å; F140-T144 PolarHBondContact O-OG1 3.09Å; R141-T144 PolarHBondContact O-N 3.11Å; T144-G148 WeakPolarHBondContact O-CA 3.42Å; T144-G148 PolarHBondContact O-N 3.18Å
145E95.4Very high95.9Very high165 Ų16546.9 Ų46.977%0.77128%0.284SS*.Hα-helixtrans-64.7-47.9178.3-174.1177.5179.100112.3R141 Q142 L143R141-E145 PolarHBondContact O-N 3.33Å; Q142-E145 PolarHBondContact O-N 3.04Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.13Å
146I95.3Very high95.9Very high53 Ų5349 Ų4927%0.27229%0.294SS..Hα-helixtrans-76.3-38.7-174-67.9166.5000112.1F56 Q142 L143F56-I146 HydrophobicContact CB-CD1 4.14Å; F56-I146 HydrophobicContact CD1-CD1 3.43Å; F56-I146 VanDerWaalsContact CD1-CD1 3.43Å; F56-I146 HydrophobicContact CE1-CD1 4.2Å; F56-I146 HydrophobicContact CG-CD1 4.17Å; Q142-I146 WeakPolarHBondContact O-CB 3.45Å; Q142-I146 VanDerWaalsContact O-CG1 3.3Å; Q142-I146 WeakPolarHBondContact O-CG1 3.15Å; Q142-I146 PolarHBondContact O-N 2.72Å; L143-I146 PolarHBondContact O-N 3.49Å
147Y96.9Very high95.9Very high1 Ų153 Ų530%0.00432%0.315CS..Hα-helixtrans-102.2-18.3-171.9-61.7-98.2000113.4R4 P7 L8 F56 L112 L143 G149 L150 F155 I158R4-Y147 HydrophobicContact CB-CE1 4.28Å; R4-Y147 WeakPolarHBondContact O-CE1 3.01Å; R4-Y147 PolarHBondContact O-OH 3Å; P7-Y147 WeakPolarHBondContact CB-OH 3.48Å; P7-Y147 WeakPolarHBondContact CG-OH 3.41Å; L8-Y147 HydrophobicContact CD1-CD1 4.03Å; L8-Y147 HydrophobicContact CD1-CE1 3.58Å; L8-Y147 HydrophobicContact CD2-CE1 4.2Å; L8-Y147 HydrophobicContact CG-CD1 4.47Å; L8-Y147 HydrophobicContact CG-CE1 3.76Å; F56-Y147 HydrophobicContact CE1-CE2 4.19Å; L112-Y147 HydrophobicContact CD1-CG 4.39Å; L143-Y147 HydrophobicContact CB-CD2 4.46Å; L143-Y147 HydrophobicContact CD2-CD2 3.83Å; L143-Y147 HydrophobicContact CD2-CE2 3.6Å; L143-Y147 WeakPolarHBondContact O-CB 3.17Å; L143-Y147 VanDerWaalsContact O-CD2 3.28Å; L143-Y147 WeakPolarHBondContact O-CD2 3.42Å; L143-Y147 PolarHBondContact O-N 3.03Å; Y147-G149 VanDerWaalsContact C-N 3.3Å; Y147-G149 PolarHBondContact O-N 3.28Å; Y147-L150 HydrophobicContact CD1-CD1 3.62Å; Y147-L150 HydrophobicContact CE1-CD1 4.41Å; Y147-L150 HydrophobicContact CG-CD1 4.19Å; Y147-L150 PolarHBondContact O-N 2.7Å; Y147-F155 HydrophobicContact CD1-CE1 4.35Å; Y147-F155 VanDerWaalsContact O-CZ 3.32Å; Y147-F155 WeakPolarHBondContact O-CZ 3.26Å; Y147-I158 HydrophobicContact CD1-CD1 4.08Å; Y147-I158 HydrophobicContact CE1-CD1 3.93Å
148G93.4Very high96Very high42 Ų4251.6 Ų51.643%0.43331%0.308SS..Hα-helixtrans-62.3-34.9-175.800000113.8T144T144-G148 WeakPolarHBondContact O-CA 3.42Å; T144-G148 PolarHBondContact O-N 3.18Å
149G91.9Very high96.1Very high74 Ų7450 Ų5076%0.76330%0.298SS*.THydrogen-bonded Turntrans-90.4-0.2179.800000115.7Y147Y147-G149 VanDerWaalsContact C-N 3.3Å; Y147-G149 PolarHBondContact O-N 3.28Å
150L95.8Very high96.1Very high20 Ų2054.2 Ų54.211%0.10532%0.318CS..  trans-72141.6-175.7-59.4-178.6000112.1Y147 E154 F155 I158Y147-L150 HydrophobicContact CD1-CD1 3.62Å; Y147-L150 HydrophobicContact CE1-CD1 4.41Å; Y147-L150 HydrophobicContact CG-CD1 4.19Å; Y147-L150 PolarHBondContact O-N 2.7Å; L150-E154 HydrophobicContact CB-CB 4.15Å; L150-E154 HydrophobicContact CD2-CB 4.49Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.25Å; L150-F155 HydrophobicContact CB-CD2 3.88Å; L150-F155 HydrophobicContact CB-CE2 3.6Å; L150-F155 HydrophobicContact CB-CZ 4.2Å; L150-F155 HydrophobicContact CD1-CE2 4.5Å; L150-F155 HydrophobicContact CD1-CZ 4.33Å; L150-I158 HydrophobicContact CD1-CD1 3.85Å
151S95.9Very high96.1Very high61 Ų6154.2 Ų54.243%0.42732%0.318SS..  trans-70.3162173.565.60000112.2G153 E154 F155S151-G153 PolarHBondContact O-N 3.27Å; S151-E154 WeakPolarHBondContact CB-OE2 3.46Å; S151-E154 PolarHBondContact N-OE2 2.98Å; S151-E154 PolarHBondContact O-N 2.92Å; S151-E154 WeakPolarHBondContact OG-CG 3.34Å; S151-E154 PolarHBondContact OG-N 2.8Å; S151-E154 PolarHBondContact OG-OE2 3.49Å; S151-F155 WeakPolarHBondContact O-CD2 3.47Å; S151-F155 PolarHBondContact O-N 2.86Å; S151-F155 VanDerWaalsContact O-N 3.08Å
152A93.8Very high96.2Very high84 Ų8448 Ų4869%0.69429%0.294SS*.Hα-helixtrans-58.2-33.7173.300000112.5Q156A152-Q156 WeakPolarHBondContact O-CB 3.41Å; A152-Q156 PolarHBondContact O-N 2.87Å
153G96Very high96.2Very high45 Ų4549.3 Ų49.346%0.46430%0.302SS..Hα-helixtrans-66.3-43.2176.600000112.6S151 Q156 L157S151-G153 PolarHBondContact O-N 3.27Å; G153-Q156 WeakPolarHBondContact O-CB 3.29Å; G153-Q156 PolarHBondContact O-N 3.47Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å; G153-L157 PolarHBondContact O-N 2.96Å
154E97.1Very high96.1Very high69 Ų6952.5 Ų52.532%0.32232%0.319SS..Hα-helixtrans-64.9-42.7175.8-72.8167.7106.700111.9R4 L150 S151 Q156 L157 I158R4-E154 IonicContact NH1-OE1 3.84Å; R4-E154 PolarHBondContact NH1-OE1 3.38Å; L150-E154 HydrophobicContact CB-CB 4.15Å; L150-E154 HydrophobicContact CD2-CB 4.49Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.25Å; S151-E154 WeakPolarHBondContact CB-OE2 3.46Å; S151-E154 PolarHBondContact N-OE2 2.98Å; S151-E154 PolarHBondContact O-N 2.92Å; S151-E154 WeakPolarHBondContact OG-CG 3.34Å; S151-E154 PolarHBondContact OG-N 2.8Å; S151-E154 PolarHBondContact OG-OE2 3.49Å; E154-Q156 VanDerWaalsContact C-N 3.27Å; E154-Q156 PolarHBondContact O-N 3.44Å; E154-L157 WeakPolarHBondContact O-CB 3.28Å; E154-L157 PolarHBondContact O-N 3.27Å; E154-I158 WeakPolarHBondContact O-CG1 3.37Å; E154-I158 PolarHBondContact O-N 2.67Å
155F97.3Very high96.1Very high2 Ų250.9 Ų50.91%0.00931%0.307CS..Hα-helixtrans-62.4-35.8172.4-84-69.3000112.4P108 K109 L112 Y147 L150 S151 I158 R159P108-F155 HydrophobicContact CB-CB 3.81Å; K109-F155 HydrophobicContact CB-CD1 4.35Å; K109-F155 HydrophobicContact CB-CD2 3.97Å; K109-F155 HydrophobicContact CB-CE2 4.14Å; K109-F155 HydrophobicContact CB-CG 4.07Å; K109-F155 HydrophobicContact CB-CZ 4.42Å; K109-F155 HydrophobicContact CD-CD2 4.49Å; K109-F155 HydrophobicContact CD-CE2 4.04Å; K109-F155 HydrophobicContact CG-CD2 4.08Å; K109-F155 HydrophobicContact CG-CE1 4.28Å; K109-F155 HydrophobicContact CG-CE2 3.72Å; K109-F155 HydrophobicContact CG-CG 4.5Å; K109-F155 HydrophobicContact CG-CZ 3.84Å; L112-F155 HydrophobicContact CB-CE1 4.32Å; L112-F155 HydrophobicContact CD2-CZ 4.24Å; Y147-F155 HydrophobicContact CD1-CE1 4.35Å; Y147-F155 VanDerWaalsContact O-CZ 3.32Å; Y147-F155 WeakPolarHBondContact O-CZ 3.26Å; L150-F155 HydrophobicContact CB-CD2 3.88Å; L150-F155 HydrophobicContact CB-CE2 3.6Å; L150-F155 HydrophobicContact CB-CZ 4.2Å; L150-F155 HydrophobicContact CD1-CE2 4.5Å; L150-F155 HydrophobicContact CD1-CZ 4.33Å; S151-F155 WeakPolarHBondContact O-CD2 3.47Å; S151-F155 PolarHBondContact O-N 2.86Å; S151-F155 VanDerWaalsContact O-N 3.08Å; F155-I158 HydrophobicContact CD1-CD1 4.3Å; F155-I158 WeakPolarHBondContact O-CB 3.46Å; F155-I158 PolarHBondContact O-N 3.07Å; F155-R159 WeakPolarHBondContact O-CB 3.43Å; F155-R159 PolarHBondContact O-N 3.16Å
156Q97.1Very high96.1Very high91 Ų9143.1 Ų43.143%0.42527%0.271SS..Hα-helixtrans-65.2-39.7174.2-179.159.918.600111.6P108 A152 G153 E154 R159 Q160P108-Q156 HydrophobicContact CG-CB 4.3Å; A152-Q156 WeakPolarHBondContact O-CB 3.41Å; A152-Q156 PolarHBondContact O-N 2.87Å; G153-Q156 WeakPolarHBondContact O-CB 3.29Å; G153-Q156 PolarHBondContact O-N 3.47Å; E154-Q156 VanDerWaalsContact C-N 3.27Å; E154-Q156 PolarHBondContact O-N 3.44Å; Q156-R159 PolarHBondContact O-N 3.36Å; Q156-Q160 WeakPolarHBondContact O-CB 3.45Å; Q156-Q160 PolarHBondContact O-N 2.89Å
157L97.4Very high95.9Very high83 Ų8345.6 Ų45.644%0.43528%0.281SS..Hα-helixtrans-63.8-40.1173.6-69.8175.3000111.9G153 E154 Q160 T161G153-L157 WeakPolarHBondContact O-CG 3.42Å; G153-L157 PolarHBondContact O-N 2.96Å; E154-L157 WeakPolarHBondContact O-CB 3.28Å; E154-L157 PolarHBondContact O-N 3.27Å; L157-Q160 PolarHBondContact O-N 2.84Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.48Å; L157-T161 PolarHBondContact O-OG1 3.39Å
158I98Very high95.5Very high2 Ų250.8 Ų50.81%0.0131%0.309CS..Hα-helixtrans-59.6-51.1172.9-70.9167.7000110S2 T5 L8 Y147 L150 E154 F155 Q160 T161 L162S2-I158 VanDerWaalsContact OG-CG1 3.29Å; S2-I158 WeakPolarHBondContact OG-CG1 3.25Å; T5-I158 HydrophobicContact CG2-CG2 4.3Å; L8-I158 HydrophobicContact CD1-CG2 3.74Å; Y147-I158 HydrophobicContact CD1-CD1 4.08Å; Y147-I158 HydrophobicContact CE1-CD1 3.93Å; L150-I158 HydrophobicContact CD1-CD1 3.85Å; E154-I158 WeakPolarHBondContact O-CG1 3.37Å; E154-I158 PolarHBondContact O-N 2.67Å; F155-I158 HydrophobicContact CD1-CD1 4.3Å; F155-I158 WeakPolarHBondContact O-CB 3.46Å; F155-I158 PolarHBondContact O-N 3.07Å; I158-Q160 VanDerWaalsContact C-N 3.35Å; I158-Q160 PolarHBondContact O-N 3Å; I158-T161 WeakPolarHBondContact O-CB 3.34Å; I158-T161 PolarHBondContact O-N 2.75Å; I158-T161 VanDerWaalsContact O-N 3.13Å; I158-L162 HydrophobicContact CG2-CD1 4.28Å; I158-L162 PolarHBondContact O-N 2.82Å
159R97.4Very high95.4Very high38 Ų3849.2 Ų49.214%0.14329%0.291CS..Hα-helixtrans-59.1-45.6179.2-173.1-177.5-171.9167.78.2111.5V102 L103 C105 P108 F155 Q156 T161 L162 L163V102-R159 HydrophobicContact CG1-CG 4.3Å; V102-R159 PolarHBondContact O-NE 3.23Å; V102-R159 PolarHBondContact O-NH2 3.35Å; L103-R159 PolarHBondContact O-NH2 2.96Å; C105-R159 PolarHBondContact O-NH1 2.68Å; C105-R159 PolarHBondContact O-NH2 3.09Å; P108-R159 HydrophobicContact CB-CB 4.19Å; F155-R159 WeakPolarHBondContact O-CB 3.43Å; F155-R159 PolarHBondContact O-N 3.16Å; Q156-R159 PolarHBondContact O-N 3.36Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.01Å; R159-L162 PolarHBondContact O-N 2.78Å; R159-L163 HydrophobicContact CG-CD1 4.09Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CG 3.28Å; R159-L163 WeakPolarHBondContact O-CG 3.46Å; R159-L163 PolarHBondContact O-N 3.29Å
160Q97.3Very high95.4Very high92 Ų9248.9 Ų48.943%0.4327%0.269SS..Hα-helixtrans-58-45.1175.6-174.7-17323.300111.3Q156 L157 I158 L162 L163 I164Q156-Q160 WeakPolarHBondContact O-CB 3.45Å; Q156-Q160 PolarHBondContact O-N 2.89Å; L157-Q160 PolarHBondContact O-N 2.84Å; I158-Q160 VanDerWaalsContact C-N 3.35Å; I158-Q160 PolarHBondContact O-N 3Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.27Å; Q160-L163 PolarHBondContact O-N 3.25Å; Q160-I164 HydrophobicContact CG-CD1 3.97Å; Q160-I164 WeakPolarHBondContact O-CG1 3.24Å; Q160-I164 PolarHBondContact O-N 2.92Å
161T97.3Very high95.3Very high1 Ų148.7 Ų48.71%0.00627%0.268CS..Hα-helixtrans-61.7-41.7179.1-530000111.3M1 S2 T5 L61 L157 I158 R159 I164 F165M1-T161 HydrophobicContact CB-CG2 4.36Å; M1-T161 HydrophobicContact CE-CG2 4.12Å; M1-T161 HydrophobicContact SD-CG2 3.86Å; S2-T161 PolarHBondContact N-OG1 3.44Å; T5-T161 HydrophobicContact CG2-CG2 3.93Å; T5-T161 WeakPolarHBondContact OG1-CB 3.39Å; T5-T161 WeakPolarHBondContact OG1-CG2 3.2Å; L61-T161 HydrophobicContact CD1-CG2 3.68Å; L61-T161 HydrophobicContact CG-CG2 4Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.48Å; L157-T161 PolarHBondContact O-OG1 3.39Å; I158-T161 WeakPolarHBondContact O-CB 3.34Å; I158-T161 PolarHBondContact O-N 2.75Å; I158-T161 VanDerWaalsContact O-N 3.13Å; R159-T161 VanDerWaalsContact C-N 3.31Å; R159-T161 PolarHBondContact O-N 3.01Å; T161-I164 PolarHBondContact O-N 3.17Å; T161-F165 PolarHBondContact O-N 2.91Å
162L97.7Very high95.1Very high0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-63.1-44.5172.6-68.5170.8000112.3T5 L9 F98 V102 V111 I158 R159 Q160 I164 F165 F166T5-L162 HydrophobicContact CG2-CD2 3.52Å; T5-L162 HydrophobicContact CG2-CG 3.58Å; L9-L162 HydrophobicContact CB-CD2 3.92Å; L9-L162 HydrophobicContact CD1-CD2 4Å; L9-L162 HydrophobicContact CG-CD2 4.47Å; F98-L162 HydrophobicContact CE1-CD2 4.09Å; F98-L162 HydrophobicContact CZ-CD1 4.27Å; F98-L162 HydrophobicContact CZ-CD2 4.49Å; V102-L162 HydrophobicContact CG1-CB 4.14Å; V102-L162 HydrophobicContact CG1-CD1 4.49Å; V102-L162 HydrophobicContact CG2-CD1 4.11Å; V111-L162 HydrophobicContact CG1-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CD1 4.28Å; I158-L162 PolarHBondContact O-N 2.82Å; R159-L162 PolarHBondContact O-N 2.78Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.27Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.42Å; L162-F165 WeakPolarHBondContact O-CB 3.39Å; L162-F165 PolarHBondContact O-N 2.92Å; L162-F166 HydrophobicContact CB-CE2 4.4Å; L162-F166 HydrophobicContact CD2-CE2 4.43Å; L162-F166 WeakPolarHBondContact O-CD2 3.49Å; L162-F166 PolarHBondContact O-N 2.92Å
163L95.9Very high95Very high62 Ų6248.3 Ų48.333%0.32524%0.24SC..Hα-helixtrans-62.9-39.5179.5-71.2170.9000111.9V102 L103 R159 Q160 F166 Q167V102-L163 HydrophobicContact CG1-CD2 3.91Å; V102-L163 HydrophobicContact CG1-CG 4.18Å; L103-L163 HydrophobicContact CD2-CD2 3.68Å; L103-L163 HydrophobicContact CG-CD2 4.34Å; R159-L163 HydrophobicContact CG-CD1 4.09Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CG 3.28Å; R159-L163 WeakPolarHBondContact O-CG 3.46Å; R159-L163 PolarHBondContact O-N 3.29Å; Q160-L163 PolarHBondContact O-N 3.25Å; L163-F166 CarbonylContact O-C 3.32Å; L163-F166 PolarHBondContact O-N 3.4Å; L163-Q167 PolarHBondContact O-N 3.04Å
164I95.6Very high94.6Very high67 Ų6750.3 Ų50.334%0.34425%0.246SC..Hα-helixtrans-63.6-44.5173.1-69.6166.3000110.3M1 Q160 T161 L162 F166 Q167M1-I164 HydrophobicContact CE-CG2 4.22Å; M1-I164 HydrophobicContact SD-CB 4.48Å; M1-I164 HydrophobicContact SD-CD1 3.7Å; M1-I164 HydrophobicContact SD-CG2 4.33Å; Q160-I164 HydrophobicContact CG-CD1 3.97Å; Q160-I164 WeakPolarHBondContact O-CG1 3.24Å; Q160-I164 PolarHBondContact O-N 2.92Å; T161-I164 PolarHBondContact O-N 3.17Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 3.42Å; I164-F166 VanDerWaalsContact C-N 3.29Å; I164-F166 PolarHBondContact O-N 3.35Å; I164-Q167 WeakPolarHBondContact O-CB 3.46Å; I164-Q167 PolarHBondContact O-N 3.15Å; I164-Q167 VanDerWaalsContact O-N 3.08Å
165F94.9Very high94.2Very high17 Ų1749 Ų498%0.07524%0.241CC..Hα-helixtrans-57.7-42.8176.1179.1-92.4000112L9 L61 K64 L67 T161 L162 Q167L9-F165 HydrophobicContact CD1-CD1 3.97Å; L9-F165 HydrophobicContact CD1-CE1 3.96Å; L9-F165 HydrophobicContact CD2-CD1 4.07Å; L9-F165 HydrophobicContact CD2-CD2 4.04Å; L9-F165 HydrophobicContact CD2-CE1 4.03Å; L9-F165 HydrophobicContact CD2-CE2 3.99Å; L9-F165 HydrophobicContact CD2-CG 4.09Å; L9-F165 HydrophobicContact CD2-CZ 3.99Å; L61-F165 HydrophobicContact CD1-CB 3.84Å; L61-F165 HydrophobicContact CD1-CD2 4.03Å; L61-F165 HydrophobicContact CD1-CG 4.18Å; K64-F165 WeakPolarHBondContact CE-O 3.27Å; K64-F165 HydrophobicContact CG-CD2 4.44Å; K64-F165 HydrophobicContact CG-CE2 3.78Å; K64-F165 HydrophobicContact CG-CZ 3.91Å; K64-F165 PolarHBondContact NZ-O 3.34Å; L67-F165 HydrophobicContact CD2-CE1 4.36Å; L67-F165 HydrophobicContact CD2-CE2 4.2Å; L67-F165 HydrophobicContact CD2-CZ 3.62Å; T161-F165 PolarHBondContact O-N 2.91Å; L162-F165 WeakPolarHBondContact O-CB 3.39Å; L162-F165 PolarHBondContact O-N 2.92Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 3.15Å
166F95.3Very high93.9Very high2 Ų249 Ų491%0.00924%0.241CC..THydrogen-bonded Turntrans-83.92.2178.6-65.8-56.8000114.7L9 F98 K99 V102 L162 L163 I164 L169L9-F166 HydrophobicContact CD1-CE1 4.41Å; L9-F166 HydrophobicContact CD1-CE2 4.16Å; L9-F166 HydrophobicContact CD1-CZ 3.57Å; F98-F166 HydrophobicContact CB-CZ 4.45Å; F98-F166 AromaticContact CD1-CE2 3.78Å; F98-F166 HydrophobicContact CD1-CE2 3.78Å; F98-F166 AromaticContact CD1-CZ 3.47Å; F98-F166 HydrophobicContact CD1-CZ 3.47Å; F98-F166 VanDerWaalsContact CD1-CZ 3.47Å; F98-F166 AromaticContact CE1-CE2 3.97Å; F98-F166 HydrophobicContact CE1-CE2 3.97Å; F98-F166 HydrophobicContact CE1-CZ 4.02Å; F98-F166 HydrophobicContact CG-CZ 4.3Å; K99-F166 HydrophobicContact CB-CB 4.04Å; K99-F166 HydrophobicContact CB-CD1 3.9Å; K99-F166 HydrophobicContact CB-CD2 4.2Å; K99-F166 HydrophobicContact CB-CE1 4.49Å; K99-F166 HydrophobicContact CB-CG 3.78Å; K99-F166 HydrophobicContact CD-CB 3.9Å; K99-F166 HydrophobicContact CG-CB 3.79Å; K99-F166 HydrophobicContact CG-CG 4.1Å; K99-F166 PolarHBondContact NZ-O 3.46Å; V102-F166 HydrophobicContact CG2-CE2 4.36Å; L162-F166 HydrophobicContact CB-CE2 4.4Å; L162-F166 HydrophobicContact CD2-CE2 4.43Å; L162-F166 WeakPolarHBondContact O-CD2 3.49Å; L162-F166 PolarHBondContact O-N 2.92Å; L163-F166 CarbonylContact O-C 3.32Å; L163-F166 PolarHBondContact O-N 3.4Å; I164-F166 VanDerWaalsContact C-N 3.29Å; I164-F166 PolarHBondContact O-N 3.35Å; F166-L169 HydrophobicContact CD1-CD1 3.98Å; F166-L169 PolarHBondContact O-N 2.91Å
167Q91.5Very high93.6Very high104 Ų10446.6 Ų46.649%0.48623%0.231SC..THydrogen-bonded Turntrans-59.6143178.2-157.6-172.5-53.500109.9K64 L163 I164 F165 L169K64-Q167 PolarHBondContact NZ-O 3.1Å; K64-Q167 VanDerWaalsContact NZ-O 3.15Å; L163-Q167 PolarHBondContact O-N 3.04Å; I164-Q167 WeakPolarHBondContact O-CB 3.46Å; I164-Q167 PolarHBondContact O-N 3.15Å; I164-Q167 VanDerWaalsContact O-N 3.08Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 3.15Å; Q167-L169 PolarHBondContact O-N 3.3Å
168D89.6Confident93.3Very high111 Ų11151 Ų5159%0.59425%0.246SC*.THydrogen-bonded Turntrans62.72.1176.9-54.7-49000116.9H170D168-H170 PolarHBondContact O-N 3.31Å; D168-H170 PolarHBondContact O-ND1 2.69Å
169L91.3Very high92.8Very high8 Ų853 Ų534%0.04226%0.257CS..  trans-76105170.1-60.1-176.4000110.9K64 M96 K99 F166 Q167 L330K64-L169 HydrophobicContact CD-CD2 4.4Å; M96-L169 HydrophobicContact SD-CB 4.16Å; K99-L169 PolarHBondContact NZ-O 2.82Å; F166-L169 HydrophobicContact CD1-CD1 3.98Å; F166-L169 PolarHBondContact O-N 2.91Å; Q167-L169 PolarHBondContact O-N 3.3Å; L169-L330 HydrophobicContact CD2-CD2 3.76Å
170H91.8Very high92.6Very high68 Ų6859.2 Ų59.232%0.31529%0.285SS..  trans-122.746.7-176.5-61.2106.7000111.6D168 R187D168-H170 PolarHBondContact O-N 3.31Å; D168-H170 PolarHBondContact O-ND1 2.69Å; H170-R187 VanDerWaalsContact CD2-CG 3.46Å; H170-R187 WeakPolarHBondContact CD2-CG 3.48Å
171I92.4Very high92.3Very high16 Ų1655.9 Ų55.98%0.08227%0.271CS..  trans-80.5132.4-178.1-57.2150.3000110D92 M96 Q182 L330D92-I171 HydrophobicContact CB-CD1 3.85Å; D92-I171 HydrophobicContact CB-CG2 4.09Å; M96-I171 WeakPolarHBondContact CE-O 3.33Å; M96-I171 HydrophobicContact CG-CB 3.84Å; M96-I171 HydrophobicContact CG-CD1 4.23Å; M96-I171 HydrophobicContact SD-CB 4.18Å; M96-I171 HydrophobicContact SD-CD1 4.47Å; I171-Q182 PolarHBondContact O-NE2 3.43Å; I171-L330 HydrophobicContact CD1-CD1 3.89Å; I171-L330 HydrophobicContact CG1-CD1 3.68Å
172R92.8Very high92.2Very high134 Ų13456.2 Ų56.251%0.50627%0.272SS..  trans-75127.3177.5-68.5172.966.4-163-2.5110.6L177 N184R172-L177 HydrophobicContact CB-CD1 4.22Å; R172-N184 WeakPolarHBondContact CD-O 3.41Å; R172-N184 PolarHBondContact NE-O 2.98Å
173V91.2Very high92Very high3 Ų359.8 Ų59.82%0.01829%0.292CS..  trans-120.1120.5176.71780000108.7L93 M96 M175 F176 L177 Q182L93-V173 HydrophobicContact CD2-CB 4.45Å; L93-V173 HydrophobicContact CD2-CG1 3.59Å; L93-V173 HydrophobicContact CD2-CG2 4.14Å; M96-V173 HydrophobicContact CB-CG2 3.77Å; M96-V173 HydrophobicContact CG-CG2 4.05Å; V173-M175 VanDerWaalsContact C-N 3.31Å; V173-M175 HydrophobicContact CG1-CB 4.4Å; V173-M175 PolarHBondContact O-N 3.19Å; V173-F176 HydrophobicContact CB-CB 4.28Å; V173-F176 HydrophobicContact CB-CD2 3.52Å; V173-F176 HydrophobicContact CB-CE2 4.22Å; V173-F176 HydrophobicContact CB-CG 4.17Å; V173-F176 HydrophobicContact CG1-CD2 3.73Å; V173-F176 HydrophobicContact CG1-CE2 4.13Å; V173-F176 HydrophobicContact CG1-CG 4.21Å; V173-F176 HydrophobicContact CG2-CD2 3.95Å; V173-F176 HydrophobicContact CG2-CE2 4.31Å; V173-F176 PolarHBondContact O-N 3.31Å; V173-L177 WeakPolarHBondContact O-CG 3.5Å; V173-L177 PolarHBondContact O-N 3.18Å; V173-Q182 PolarHBondContact O-OE1 3.09Å
174S87.1Confident91.8Very high86 Ų8662.7 Ų62.760%0.60131%0.308SS*.Hα-helixtrans-55.6-42.9-173.951.50000113.1F176 L177 K178S174-F176 PolarHBondContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 3.05Å; S174-K178 WeakPolarHBondContact O-CB 3.4Å; S174-K178 PolarHBondContact O-N 3.04Å
175M88.6Confident91.5Very high42 Ų4263.9 Ų63.921%0.20731%0.314CS..Hα-helixtrans-60.1-43.3176.7-172.4170.569.300112.1V173 K178 D179 M250 Y251V173-M175 VanDerWaalsContact C-N 3.31Å; V173-M175 HydrophobicContact CG1-CB 4.4Å; V173-M175 PolarHBondContact O-N 3.19Å; M175-K178 PolarHBondContact O-N 3.35Å; M175-D179 WeakPolarHBondContact O-CB 3.4Å; M175-D179 VanDerWaalsContact O-CG 3.3Å; M175-D179 PolarHBondContact O-N 3.35Å; M175-M250 HydrophobicContact CE-CB 4.34Å; M175-M250 HydrophobicContact CE-CE 4.31Å; M175-M250 HydrophobicContact CE-CG 3.71Å; M175-M250 HydrophobicContact CE-SD 3.92Å; M175-Y251 HydrophobicContact CE-CD1 3.53Å; M175-Y251 HydrophobicContact CE-CE1 3.52Å; M175-Y251 HydrophobicContact CE-CG 4.33Å; M175-Y251 HydrophobicContact SD-CD1 4Å
176F92.6Very high91.2Very high2 Ų263.1 Ų63.11%0.00931%0.311CS..Hα-helixtrans-70-33.5177.9-65.5-37.2000114M96 A97 Y100 V173 S174 K180 V181 Q182 F188 M250M96-F176 HydrophobicContact CB-CE2 4.32Å; A97-F176 HydrophobicContact CB-CZ 4.3Å; Y100-F176 AromaticContact CD1-CE1 3.97Å; Y100-F176 HydrophobicContact CD1-CE1 3.97Å; Y100-F176 HydrophobicContact CD1-CZ 4.25Å; Y100-F176 HydrophobicContact CE1-CE1 4.39Å; Y100-F176 HydrophobicContact CG-CE1 4.47Å; Y100-F176 HydrophobicContact CG-CZ 4.46Å; V173-F176 HydrophobicContact CB-CB 4.28Å; V173-F176 HydrophobicContact CB-CD2 3.52Å; V173-F176 HydrophobicContact CB-CE2 4.22Å; V173-F176 HydrophobicContact CB-CG 4.17Å; V173-F176 HydrophobicContact CG1-CD2 3.73Å; V173-F176 HydrophobicContact CG1-CE2 4.13Å; V173-F176 HydrophobicContact CG1-CG 4.21Å; V173-F176 HydrophobicContact CG2-CD2 3.95Å; V173-F176 HydrophobicContact CG2-CE2 4.31Å; V173-F176 PolarHBondContact O-N 3.31Å; S174-F176 PolarHBondContact O-N 3.12Å; F176-K180 PolarHBondContact O-N 3.2Å; F176-V181 HydrophobicContact CB-CG2 3.78Å; F176-V181 HydrophobicContact CD1-CG2 3.57Å; F176-V181 HydrophobicContact CE1-CG2 4.49Å; F176-V181 HydrophobicContact CG-CG2 4.03Å; F176-V181 WeakPolarHBondContact O-CG2 3.2Å; F176-V181 PolarHBondContact O-N 3.15Å; F176-Q182 HydrophobicContact CB-CB 3.56Å; F176-Q182 HydrophobicContact CB-CG 4.49Å; F176-Q182 PolarHBondContact O-N 3.12Å; F176-Q182 VanDerWaalsContact O-N 3.16Å; F176-F188 HydrophobicContact CB-CE1 4.33Å; F176-F188 HydrophobicContact CD1-CE1 4.48Å; F176-F188 AromaticContact CD2-CE1 3.53Å; F176-F188 HydrophobicContact CD2-CE1 3.53Å; F176-F188 AromaticContact CD2-CZ 3.83Å; F176-F188 HydrophobicContact CD2-CZ 3.83Å; F176-F188 AromaticContact CE2-CE1 3.92Å; F176-F188 HydrophobicContact CE2-CE1 3.92Å; F176-F188 AromaticContact CE2-CZ 3.89Å; F176-F188 HydrophobicContact CE2-CZ 3.89Å; F176-F188 AromaticContact CG-CE1 3.89Å; F176-F188 HydrophobicContact CG-CE1 3.89Å; F176-M250 HydrophobicContact CE1-CE 3.3Å; F176-M250 HydrophobicContact CE1-SD 4Å; F176-M250 HydrophobicContact CZ-CE 3.67Å; F176-M250 HydrophobicContact CZ-SD 3.79Å
177L90.8Very high91.1Very high40 Ų4070 Ų7021%0.20934%0.337CS..Hα-helixtrans-67.5-42.7173-65.1168.6000110.9R172 V173 S174 K180 Q182 N183R172-L177 HydrophobicContact CB-CD1 4.22Å; V173-L177 WeakPolarHBondContact O-CG 3.5Å; V173-L177 PolarHBondContact O-N 3.18Å; S174-L177 PolarHBondContact O-N 3.05Å; L177-K180 PolarHBondContact O-N 3.1Å; L177-K180 VanDerWaalsContact O-N 3.14Å; L177-Q182 HydrophobicContact CD2-CB 4.37Å; L177-Q182 HydrophobicContact CD2-CG 4.38Å; L177-N183 WeakPolarHBondContact CD2-O 3.32Å
178K89.4Confident91.3Very high175 Ų17566.3 Ų66.376%0.76132%0.32SS*.Hα-helixtrans-62.3-43176.8-175-177.8176.4-174.70111.6S174 M175 K180S174-K178 WeakPolarHBondContact O-CB 3.4Å; S174-K178 PolarHBondContact O-N 3.04Å; M175-K178 PolarHBondContact O-N 3.35Å; K178-K180 PolarHBondContact O-N 3.4Å
179D89.1Confident91.5Very high44 Ų4463.6 Ų63.624%0.23531%0.307CS..THydrogen-bonded Turntrans-76.5-2.6178.4-67.1-5.1000112.8M175 V181M175-D179 WeakPolarHBondContact O-CB 3.4Å; M175-D179 VanDerWaalsContact O-CG 3.3Å; M175-D179 PolarHBondContact O-N 3.35Å; D179-V181 HydrophobicContact CB-CG1 4.27Å; D179-V181 HydrophobicContact CB-CG2 4.24Å; D179-V181 PolarHBondContact O-N 3.3Å; D179-V181 VanDerWaalsContact O-N 3.15Å
180K91.6Very high91.5Very high170 Ų17066.9 Ų66.974%0.73932%0.324SS*.THydrogen-bonded Turntrans58.821-178.5-54.3179.7-178.3175.10114.3F176 L177 K178F176-K180 PolarHBondContact O-N 3.2Å; L177-K180 PolarHBondContact O-N 3.1Å; L177-K180 VanDerWaalsContact O-N 3.14Å; K178-K180 PolarHBondContact O-N 3.4Å
181V92.8Very high91.4Very high22 Ų2267.4 Ų67.413%0.13333%0.334CS..SBendtrans-90.1-8.1175.2-57.60000111.9Y100 F176 D179 F188 V189Y100-V181 HydrophobicContact CE1-CG2 4.4Å; Y100-V181 HydrophobicContact CE2-CB 4.06Å; Y100-V181 HydrophobicContact CE2-CG2 4.25Å; Y100-V181 WeakPolarHBondContact OH-CB 3.38Å; Y100-V181 VanDerWaalsContact OH-CG1 3.28Å; Y100-V181 WeakPolarHBondContact OH-CG1 3.48Å; F176-V181 HydrophobicContact CB-CG2 3.78Å; F176-V181 HydrophobicContact CD1-CG2 3.57Å; F176-V181 HydrophobicContact CE1-CG2 4.49Å; F176-V181 HydrophobicContact CG-CG2 4.03Å; F176-V181 WeakPolarHBondContact O-CG2 3.2Å; F176-V181 PolarHBondContact O-N 3.15Å; D179-V181 HydrophobicContact CB-CG1 4.27Å; D179-V181 HydrophobicContact CB-CG2 4.24Å; D179-V181 PolarHBondContact O-N 3.3Å; D179-V181 VanDerWaalsContact O-N 3.15Å; V181-F188 CarbonylContact O-C 3.53Å; V181-F188 WeakPolarHBondContact O-CA 3.24Å; V181-F188 WeakPolarHBondContact O-CD1 3.43Å; V181-V189 PolarHBondContact O-N 3.49Å
182Q94.6Very high91.1Very high7 Ų772 Ų723%0.03336%0.362CS..BIsolated β-bridgetrans-130144.5173.9-170.9-175.751.600110.6I171 V173 F176 L177 G186 R187 F188I171-Q182 PolarHBondContact O-NE2 3.43Å; V173-Q182 PolarHBondContact O-OE1 3.09Å; F176-Q182 HydrophobicContact CB-CB 3.56Å; F176-Q182 HydrophobicContact CB-CG 4.49Å; F176-Q182 PolarHBondContact O-N 3.12Å; F176-Q182 VanDerWaalsContact O-N 3.16Å; L177-Q182 HydrophobicContact CD2-CB 4.37Å; L177-Q182 HydrophobicContact CD2-CG 4.38Å; Q182-G186 PolarHBondContact NE2-O 2.84Å; Q182-R187 WeakPolarHBondContact CA-O 3.34Å; Q182-R187 WeakPolarHBondContact CG-O 3.39Å; Q182-F188 HydrophobicContact CB-CD1 4.08Å; Q182-F188 HydrophobicContact CB-CE1 4.23Å; Q182-F188 HydrophobicContact CG-CD1 4.35Å; Q182-F188 HydrophobicContact CG-CE1 4.42Å
183N93.1Very high90.7Very high75 Ų7568 Ų6840%0.40136%0.355SS..  trans-86.5162.9173.6-69-36.5000111.4L177 N185 G186 R187 V189L177-N183 WeakPolarHBondContact CD2-O 3.32Å; N183-N185 VanDerWaalsContact CB-OD1 3.23Å; N183-N185 WeakPolarHBondContact CB-OD1 3.46Å; N183-N185 PolarHBondContact O-N 3.41Å; N183-G186 PolarHBondContact O-N 3.36Å; N183-R187 PolarHBondContact N-O 2.78Å; N183-V189 WeakPolarHBondContact ND2-CG2 3.36Å; N183-V189 VanDerWaalsContact OD1-CG2 3.32Å; N183-V189 WeakPolarHBondContact OD1-CG2 3.4Å
184N90.9Very high90.4Very high124 Ų12468.9 Ų68.966%0.66336%0.364SS*.THydrogen-bonded Turntrans-59.8-17.5177.2-73.5-24.5000114.5R172 G186R172-N184 WeakPolarHBondContact CD-O 3.41Å; R172-N184 PolarHBondContact NE-O 2.98Å; N184-G186 VanDerWaalsContact C-N 3.31Å
185N90.1Very high90.4Very high91 Ų9168.8 Ų68.849%0.48736%0.362SS..THydrogen-bonded Turntrans-889.1174.266.34.7000113.7N183 R187N183-N185 VanDerWaalsContact CB-OD1 3.23Å; N183-N185 WeakPolarHBondContact CB-OD1 3.46Å; N183-N185 PolarHBondContact O-N 3.41Å; N185-R187 VanDerWaalsContact C-N 3.28Å; N185-R187 PolarHBondContact O-N 3Å; N185-R187 WeakPolarHBondContact OD1-CB 3.13Å; N185-R187 PolarHBondContact OD1-N 3.31Å; N185-R187 VanDerWaalsContact OD1-N 3.11Å
186G88.4Confident90.4Very high1 Ų167.4 Ų67.41%0.0136%0.356CS..SBendtrans79.9-1.5178.500000115.3Q182 N183 N184Q182-G186 PolarHBondContact NE2-O 2.84Å; N183-G186 PolarHBondContact O-N 3.36Å; N184-G186 VanDerWaalsContact C-N 3.31Å
187R93.9Very high90.3Very high147 Ų14769.1 Ų69.156%0.55537%0.367SS*.  trans-81.7141.1176.2-68.6-178.1172.8-179.50.4111.6H170 Q182 N183 N185H170-R187 VanDerWaalsContact CD2-CG 3.46Å; H170-R187 WeakPolarHBondContact CD2-CG 3.48Å; Q182-R187 WeakPolarHBondContact CA-O 3.34Å; Q182-R187 WeakPolarHBondContact CG-O 3.39Å; N183-R187 PolarHBondContact N-O 2.78Å; N185-R187 VanDerWaalsContact C-N 3.28Å; N185-R187 PolarHBondContact O-N 3Å; N185-R187 WeakPolarHBondContact OD1-CB 3.13Å; N185-R187 PolarHBondContact OD1-N 3.31Å; N185-R187 VanDerWaalsContact OD1-N 3.11Å
188F96Very high90.3Very high27 Ų2772.2 Ų72.212%0.11838%0.376CS..BIsolated β-bridgetrans-76.6145.3175-70.2-64.8000112M96 K99 Y100 L103 F176 V181 Q182 L190M96-F188 HydrophobicContact CB-CZ 4.49Å; M96-F188 HydrophobicContact CE-CD2 4.44Å; M96-F188 HydrophobicContact CE-CE2 3.53Å; M96-F188 HydrophobicContact CE-CZ 3.67Å; M96-F188 WeakPolarHBondContact O-CZ 3.3Å; K99-F188 HydrophobicContact CB-CE2 4.42Å; K99-F188 HydrophobicContact CD-CD2 4.45Å; K99-F188 HydrophobicContact CD-CE2 4Å; K99-F188 HydrophobicContact CG-CD2 4.45Å; K99-F188 HydrophobicContact CG-CE2 4.01Å; Y100-F188 HydrophobicContact CD2-CB 4.26Å; Y100-F188 AromaticContact CD2-CD1 3.3Å; Y100-F188 HydrophobicContact CD2-CD1 3.3Å; Y100-F188 HydrophobicContact CD2-CD2 4.17Å; Y100-F188 AromaticContact CD2-CE1 3.54Å; Y100-F188 HydrophobicContact CD2-CE1 3.54Å; Y100-F188 HydrophobicContact CD2-CE2 4.35Å; Y100-F188 AromaticContact CD2-CG 3.66Å; Y100-F188 HydrophobicContact CD2-CG 3.66Å; Y100-F188 HydrophobicContact CD2-CZ 4.07Å; Y100-F188 AromaticContact CE2-CD1 3.81Å; Y100-F188 HydrophobicContact CE2-CD1 3.81Å; Y100-F188 HydrophobicContact CE2-CE1 4.3Å; Y100-F188 HydrophobicContact CE2-CG 4.3Å; Y100-F188 HydrophobicContact CG-CD1 4.09Å; Y100-F188 AromaticContact CG-CE1 3.84Å; Y100-F188 HydrophobicContact CG-CE1 3.84Å; Y100-F188 HydrophobicContact CG-CZ 4.12Å; L103-F188 HydrophobicContact CD1-CB 4.34Å; L103-F188 HydrophobicContact CD1-CD2 3.7Å; L103-F188 HydrophobicContact CD1-CG 4.38Å; F176-F188 HydrophobicContact CB-CE1 4.33Å; F176-F188 HydrophobicContact CD1-CE1 4.48Å; F176-F188 AromaticContact CD2-CE1 3.53Å; F176-F188 HydrophobicContact CD2-CE1 3.53Å; F176-F188 AromaticContact CD2-CZ 3.83Å; F176-F188 HydrophobicContact CD2-CZ 3.83Å; F176-F188 AromaticContact CE2-CE1 3.92Å; F176-F188 HydrophobicContact CE2-CE1 3.92Å; F176-F188 AromaticContact CE2-CZ 3.89Å; F176-F188 HydrophobicContact CE2-CZ 3.89Å; F176-F188 AromaticContact CG-CE1 3.89Å; F176-F188 HydrophobicContact CG-CE1 3.89Å; V181-F188 CarbonylContact O-C 3.53Å; V181-F188 WeakPolarHBondContact O-CA 3.24Å; V181-F188 WeakPolarHBondContact O-CD1 3.43Å; Q182-F188 HydrophobicContact CB-CD1 4.08Å; Q182-F188 HydrophobicContact CB-CE1 4.23Å; Q182-F188 HydrophobicContact CG-CD1 4.35Å; Q182-F188 HydrophobicContact CG-CE1 4.42Å; F188-L190 HydrophobicContact CB-CD2 4.29Å
189V93.9Very high90.2Very high53 Ų5367.5 Ų67.532%0.32138%0.376SS..  trans-100.6114.2167.9-178.70000106.6V181 N183V181-V189 PolarHBondContact O-N 3.49Å; N183-V189 WeakPolarHBondContact ND2-CG2 3.36Å; N183-V189 VanDerWaalsContact OD1-CG2 3.32Å; N183-V189 WeakPolarHBondContact OD1-CG2 3.4Å
190L91.4Very high90.3Very high77 Ų7768.6 Ų68.640%0.40339%0.385SS..  trans-89.1142.4-178.8-57.6-177.1000110.5L103 L104 F188L103-L190 HydrophobicContact CB-CD1 4.44Å; L103-L190 HydrophobicContact CB-CD2 3.88Å; L103-L190 HydrophobicContact CD1-CD2 4.46Å; L104-L190 HydrophobicContact CD2-CD2 4.04Å; F188-L190 HydrophobicContact CB-CD2 4.29Å
191P88.4Confident90.1Very high79 Ų7966.5 Ų66.551%0.51338%0.378SS..  trans-65.9140174.929.1-33.8000109.9L104L104-P191 HydrophobicContact CD2-CG 3.8Å
192V85.6Confident90Very high112 Ų11267.9 Ų67.968%0.67939%0.386SS*.SBendtrans-100.210.2176.2-62.90000112.3Y227V192-Y227 WeakPolarHBondContact O-CE1 3.4Å; V192-Y227 PolarHBondContact O-OH 3.18Å
193S85.6Confident89.8Confident52 Ų5270.2 Ų70.236%0.36440%0.402SS..  trans-150.5171.3-177.461.40000110.6
194G83.8Confident89.7Confident20 Ų2067.3 Ų67.321%0.20639%0.39CS..EExtended strand (participates in β ladder)trans126.2-168-178.200000112.8V196 N226 Y227 V228G194-V196 PolarHBondContact O-N 3.17Å; G194-N226 PolarHBondContact N-O 3.27Å; G194-Y227 WeakPolarHBondContact O-CA 3.38Å; G194-V228 PolarHBondContact O-N 2.88Å
195P87.4Confident89.7Confident85 Ų8564.6 Ų64.655%0.55238%0.375SS*.EExtended strand (participates in β ladder)trans-63.5129.8178.626.4-32.8000110.4V228P195-V228 CarbonylContact C-O 3.53Å; P195-V228 VanDerWaalsContact CA-O 3.24Å; P195-V228 WeakPolarHBondContact CA-O 3.22Å; P195-V228 HydrophobicContact CB-CG2 4.1Å
196V89.7Confident89.8Confident13 Ų1364 Ų648%0.07937%0.371CS..PPolyproline II helixtrans-69.9155.3168.9-61.80000109.3G194 T200 V202 Y227 V228 A230G194-V196 PolarHBondContact O-N 3.17Å; V196-T200 WeakPolarHBondContact CB-OG1 3.41Å; V196-T200 WeakPolarHBondContact CG2-OG1 3.49Å; V196-V202 HydrophobicContact CG2-CG2 4.28Å; V196-Y227 HydrophobicContact CG1-CD1 4.15Å; V196-Y227 HydrophobicContact CG1-CG 4.34Å; V196-V228 PolarHBondContact N-O 3.33Å; V196-A230 WeakPolarHBondContact O-CB 3.06Å
197P90.2Very high90Very high37 Ų3768.3 Ų68.324%0.2439%0.387CS..PPolyproline II helixtrans-48.4144.8174.6-29.935.4000113.9P106 R107 G199 T200P106-P197 HydrophobicContact CB-CB 4.27Å; P106-P197 HydrophobicContact CB-CG 3.8Å; R107-P197 HydrophobicContact CG-CB 3.62Å; R107-P197 HydrophobicContact CG-CG 4.3Å; P197-G199 PolarHBondContact O-N 3.24Å; P197-T200 HydrophobicContact CB-CG2 3.84Å; P197-T200 WeakPolarHBondContact CD-OG1 3.43Å; P197-T200 HydrophobicContact CG-CG2 4.39Å; P197-T200 WeakPolarHBondContact O-CB 3.49Å; P197-T200 PolarHBondContact O-N 2.75Å; P197-T200 VanDerWaalsContact O-N 3.1Å; P197-T200 PolarHBondContact O-OG1 3.13Å
198W89.5Confident90.1Very high106 Ų10665.9 Ų65.940%0.40238%0.383SS..THydrogen-bonded Turntrans-57.1136.4172.1175.3-103000111.1T200 A230 E233W198-T200 VanDerWaalsContact C-N 3.33Å; W198-A230 HydrophobicContact CB-CB 4.1Å; W198-A230 HydrophobicContact CE3-CB 4.08Å; W198-A230 WeakPolarHBondContact CZ3-O 3.49Å; W198-E233 VanDerWaalsContact CD1-CD 3.44Å; W198-E233 HydrophobicContact CD2-CB 4.12Å; W198-E233 HydrophobicContact CG-CB 3.95Å; W198-E233 HydrophobicContact CG-CG 4.35Å
199G88.4Confident90.1Very high75 Ų7570.1 Ų70.177%0.77340%0.402SS*.THydrogen-bonded Turntrans80.87.3-176.700000114.7P197P197-G199 PolarHBondContact O-N 3.24Å
200T89.9Confident90.2Very high68 Ų6870 Ų7042%0.41740%0.399SS..  trans-109.6146.5175.465.50000112.1V196 P197 W198V196-T200 WeakPolarHBondContact CB-OG1 3.41Å; V196-T200 WeakPolarHBondContact CG2-OG1 3.49Å; P197-T200 HydrophobicContact CB-CG2 3.84Å; P197-T200 WeakPolarHBondContact CD-OG1 3.43Å; P197-T200 HydrophobicContact CG-CG2 4.39Å; P197-T200 WeakPolarHBondContact O-CB 3.49Å; P197-T200 PolarHBondContact O-N 2.75Å; P197-T200 VanDerWaalsContact O-N 3.1Å; P197-T200 PolarHBondContact O-OG1 3.13Å; W198-T200 VanDerWaalsContact C-N 3.33Å
201E88.7Confident90.4Very high125 Ų12574.9 Ų74.958%0.58443%0.426SS*.PPolyproline II helixtrans-75.4147.5172-63.4-170.6155.900110.4R207E201-R207 IonicContact OE1-CZ 3.15Å; E201-R207 IonicContact OE1-NH1 2.87Å; E201-R207 PolarHBondContact OE1-NH1 2.92Å; E201-R207 IonicContact OE1-NH2 3.3Å; E201-R207 PolarHBondContact OE1-NH2 2.68Å; E201-R207 IonicContact OE2-CZ 3.43Å; E201-R207 IonicContact OE2-NH2 3.47Å; E201-R207 PolarHBondContact OE2-NH2 2.91Å
202V90.6Very high90.7Very high51 Ų5179.3 Ų79.331%0.30944%0.437SS..PPolyproline II helixtrans-63.4130.2172.6178.60000108.7V196 P229V196-V202 HydrophobicContact CG2-CG2 4.28Å; V202-P229 HydrophobicContact CG2-CB 4.42Å
203P89.9Confident91.1Very high56 Ų5676.4 Ų76.436%0.36443%0.43SS..THydrogen-bonded Turntrans-63.7155-178.828.3-37000111H223 Y227P203-H223 PolarHBondContact O-CD2 3.2Å; P203-H223 PolarHBondContact O-NE2 3.25Å; P203-Y227 HydrophobicContact CG-CD1 4.38Å; P203-Y227 HydrophobicContact CG-CD2 3.37Å; P203-Y227 HydrophobicContact CG-CE2 3.71Å; P203-Y227 HydrophobicContact CG-CG 3.74Å
204G90.6Very high91.5Very high15 Ų1579 Ų7916%0.15544%0.437CS..THydrogen-bonded Turntrans118.4-22.4176.700000114I206 E220 F221G204-I206 PolarHBondContact O-N 2.91Å; G204-E220 CarbonylContact O-C 3.59Å; G204-E220 WeakPolarHBondContact O-CA 3.49Å; G204-F221 PolarHBondContact O-N 3.08Å
205L90.5Very high92Very high66 Ų6682 Ų8235%0.34645%0.445SS..EExtended strand (participates in β ladder)trans-80.7120.1178.9-168.166.1000111.7R207 R218L205-R207 HydrophobicContact CD2-CG 4.35Å; L205-R207 HydrophobicContact CG-CG 4.3Å; L205-R218 HydrophobicContact CD1-CG 3.48Å; L205-R218 VanDerWaalsContact CD1-CG 3.48Å; L205-R218 HydrophobicContact CG-CG 4.46Å
206I92.6Very high92.4Very high79 Ų7982.3 Ų82.341%0.40545%0.445SS..EExtended strand (participates in β ladder)trans-106.9119173.4-58.4170.5000108.2G204 R218 I219 F221G204-I206 PolarHBondContact O-N 2.91Å; I206-R218 WeakPolarHBondContact O-CA 3.47Å; I206-I219 HydrophobicContact CB-CB 4.31Å; I206-I219 PolarHBondContact N-O 3.25Å; I206-I219 PolarHBondContact O-N 3.34Å; I206-F221 HydrophobicContact CD1-CB 4.1Å
207R94Very high92.6Very high92 Ų9287.1 Ų87.135%0.34747%0.465SS..EExtended strand (participates in β ladder)trans-108.2129.3174.8-60-179.1-170.8155.29109.5E201 L205 F209 E215E201-R207 IonicContact OE1-CZ 3.15Å; E201-R207 IonicContact OE1-NH1 2.87Å; E201-R207 PolarHBondContact OE1-NH1 2.92Å; E201-R207 IonicContact OE1-NH2 3.3Å; E201-R207 PolarHBondContact OE1-NH2 2.68Å; E201-R207 IonicContact OE2-CZ 3.43Å; E201-R207 IonicContact OE2-NH2 3.47Å; E201-R207 PolarHBondContact OE2-NH2 2.91Å; L205-R207 HydrophobicContact CD2-CG 4.35Å; L205-R207 HydrophobicContact CG-CG 4.3Å; R207-F209 HydrophobicContact CB-CD2 4.47Å; R207-F209 HydrophobicContact CB-CE2 3.63Å; R207-F209 HydrophobicContact CB-CZ 3.97Å; R207-E215 HydrophobicContact CB-CG 4.49Å
208M95.4Very high92.8Very high95 Ų9592.3 Ų92.347%0.46848%0.48SS..EExtended strand (participates in β ladder)trans-108.6130.7173.6-53.6-175.778.500109.1V216 K217 I219M208-V216 HydrophobicContact CB-CG2 4.33Å; M208-V216 VanDerWaalsContact O-CG2 3.3Å; M208-V216 WeakPolarHBondContact O-CG2 3.49Å; M208-V216 PolarHBondContact O-N 3.48Å; M208-K217 HydrophobicContact CB-CB 4.02Å; M208-K217 HydrophobicContact CG-CB 4.22Å; M208-K217 PolarHBondContact N-O 3.12Å; M208-K217 PolarHBondContact O-N 2.95Å; M208-K217 HydrophobicContact SD-CB 4.2Å; M208-K217 HydrophobicContact SD-CD 3.84Å; M208-I219 HydrophobicContact SD-CD1 4.34Å
209F96.3Very high93Very high117 Ų11790.5 Ų90.551%0.51348%0.477SS..EExtended strand (participates in β ladder)trans-111.5146.6-179.9-62.4-91.6000110.3R207 G213 E214 E215R207-F209 HydrophobicContact CB-CD2 4.47Å; R207-F209 HydrophobicContact CB-CE2 3.63Å; R207-F209 HydrophobicContact CB-CZ 3.97Å; F209-G213 WeakPolarHBondContact CD1-O 3.3Å; F209-E214 CarbonylContact C-O 3.58Å; F209-E214 VanDerWaalsContact CA-O 3.26Å; F209-E214 WeakPolarHBondContact CA-O 3.43Å; F209-E215 HydrophobicContact CD1-CB 4.12Å; F209-E215 HydrophobicContact CE1-CB 3.82Å; F209-E215 HydrophobicContact CE1-CG 4.49Å; F209-E215 HydrophobicContact CZ-CB 4.48Å
210N95.6Very high93.1Very high49 Ų4994.2 Ų94.226%0.26248%0.475SS..  trans-82.4179.4171.768.716000111.6K212 G213 E214 V216N210-K212 PolarHBondContact O-N 2.93Å; N210-K212 WeakPolarHBondContact OD1-CA 3.46Å; N210-K212 WeakPolarHBondContact OD1-CB 3.03Å; N210-K212 PolarHBondContact OD1-N 2.99Å; N210-G213 PolarHBondContact O-N 3.43Å; N210-G213 PolarHBondContact OD1-N 2.92Å; N210-E214 PolarHBondContact N-O 3.48Å; N210-E214 PolarHBondContact ND2-OE2 3.41Å; N210-E214 PolarHBondContact OD1-N 3.07Å; N210-V216 HydrophobicContact CB-CG1 3.73Å
211N95Very high93.1Very high181 Ų18197.1 Ų97.197%0.96848%0.481SS*.THydrogen-bonded Turntrans-63.4-11.3178.9-59.8-10.4000114.1
212K94.9Very high93.1Very high171 Ų171100.6 Ų100.674%0.74350%0.495SS*.THydrogen-bonded Turntrans-97-0.2175.4-59.7-177.5179.2-179.60112.7N210 E214N210-K212 PolarHBondContact O-N 2.93Å; N210-K212 WeakPolarHBondContact OD1-CA 3.46Å; N210-K212 WeakPolarHBondContact OD1-CB 3.03Å; N210-K212 PolarHBondContact OD1-N 2.99Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 HydrophobicContact CB-CG 4.24Å
213G93.5Very high92.7Very high52 Ų52101 Ų10154%0.53649%0.493SS..SBendtrans7913-176.700000114.4F209 N210F209-G213 WeakPolarHBondContact CD1-O 3.3Å; N210-G213 PolarHBondContact O-N 3.43Å; N210-G213 PolarHBondContact OD1-N 2.92Å
214E94.6Very high92.4Very high107 Ų107102.3 Ų102.350%0.552%0.516SS..  trans-87134.8178-56.5165.4150.400110.1F209 N210 K212 V216F209-E214 CarbonylContact C-O 3.58Å; F209-E214 VanDerWaalsContact CA-O 3.26Å; F209-E214 WeakPolarHBondContact CA-O 3.43Å; N210-E214 PolarHBondContact N-O 3.48Å; N210-E214 PolarHBondContact ND2-OE2 3.41Å; N210-E214 PolarHBondContact OD1-N 3.07Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 HydrophobicContact CB-CG 4.24Å; E214-V216 PolarHBondContact O-N 2.96Å
215E94.4Very high92.2Very high81 Ų81102.1 Ų102.138%0.37951%0.514SS..EExtended strand (participates in β ladder)trans-67.2113.9175.5-174.3178.1157.200109.1R207 F209 R218R207-E215 HydrophobicContact CB-CG 4.49Å; F209-E215 HydrophobicContact CD1-CB 4.12Å; F209-E215 HydrophobicContact CE1-CB 3.82Å; F209-E215 HydrophobicContact CE1-CG 4.49Å; F209-E215 HydrophobicContact CZ-CB 4.48Å; E215-R218 IonicContact OE1-CZ 3.43Å; E215-R218 IonicContact OE1-NE 2.98Å; E215-R218 PolarHBondContact OE1-NE 3.39Å; E215-R218 IonicContact OE1-NH2 2.78Å; E215-R218 PolarHBondContact OE1-NH2 2.89Å; E215-R218 VanDerWaalsContact OE1-NH2 3.15Å; E215-R218 IonicContact OE2-NH2 3.3Å; E215-R218 PolarHBondContact OE2-NH2 3.44Å
216V95.8Very high92Very high92 Ų92105 Ų10556%0.55853%0.53SS*.EExtended strand (participates in β ladder)trans-104.6-19.5-178.5-69.30000113.3M208 N210 E214M208-V216 HydrophobicContact CB-CG2 4.33Å; M208-V216 VanDerWaalsContact O-CG2 3.3Å; M208-V216 WeakPolarHBondContact O-CG2 3.49Å; M208-V216 PolarHBondContact O-N 3.48Å; N210-V216 HydrophobicContact CB-CG1 3.73Å; E214-V216 PolarHBondContact O-N 2.96Å
217K94.1Very high91.9Very high114 Ų114104.8 Ų104.850%0.49653%0.525SS..EExtended strand (participates in β ladder)trans-152.8142-179.8-161.3179.3-177.5-177.30111.7M208 I219M208-K217 HydrophobicContact CB-CB 4.02Å; M208-K217 HydrophobicContact CG-CB 4.22Å; M208-K217 PolarHBondContact N-O 3.12Å; M208-K217 PolarHBondContact O-N 2.95Å; M208-K217 HydrophobicContact SD-CB 4.2Å; M208-K217 HydrophobicContact SD-CD 3.84Å; K217-I219 HydrophobicContact CD-CD1 3.88Å; K217-I219 HydrophobicContact CD-CG1 4.12Å; K217-I219 HydrophobicContact CG-CD1 4.38Å; K217-I219 HydrophobicContact CG-CG1 4.15Å
218R94.4Very high91.7Very high147 Ų147104 Ų10456%0.55553%0.53SS*.EExtended strand (participates in β ladder)trans-124.6128.1172.9-175.6173-77-158.3-1.5109.5L205 I206 E215L205-R218 HydrophobicContact CD1-CG 3.48Å; L205-R218 VanDerWaalsContact CD1-CG 3.48Å; L205-R218 HydrophobicContact CG-CG 4.46Å; I206-R218 WeakPolarHBondContact O-CA 3.47Å; E215-R218 IonicContact OE1-CZ 3.43Å; E215-R218 IonicContact OE1-NE 2.98Å; E215-R218 PolarHBondContact OE1-NE 3.39Å; E215-R218 IonicContact OE1-NH2 2.78Å; E215-R218 PolarHBondContact OE1-NH2 2.89Å; E215-R218 VanDerWaalsContact OE1-NH2 3.15Å; E215-R218 IonicContact OE2-NH2 3.3Å; E215-R218 PolarHBondContact OE2-NH2 3.44Å
219I93.9Very high91.4Very high67 Ų67103.8 Ų103.834%0.34454%0.536SS..EExtended strand (participates in β ladder)trans-131.7150.4177.8-55.3158.9000108.1I206 M208 K217I206-I219 HydrophobicContact CB-CB 4.31Å; I206-I219 PolarHBondContact N-O 3.25Å; I206-I219 PolarHBondContact O-N 3.34Å; M208-I219 HydrophobicContact SD-CD1 4.34Å; K217-I219 HydrophobicContact CD-CD1 3.88Å; K217-I219 HydrophobicContact CD-CG1 4.12Å; K217-I219 HydrophobicContact CG-CD1 4.38Å; K217-I219 HydrophobicContact CG-CG1 4.15Å
220E91.3Very high90.9Very high154 Ų15499.1 Ų99.172%0.7252%0.519SS*.EExtended strand (participates in β ladder)trans-110.8129174.5-169.1176.8-169.300110.8G204G204-E220 CarbonylContact O-C 3.59Å; G204-E220 WeakPolarHBondContact O-CA 3.49Å
221F89.9Confident90.3Very high128 Ų128102 Ų10256%0.56154%0.54SS*.  trans-96.3123.8173.4175.1-99.1000110G204 I206 H223G204-F221 PolarHBondContact O-N 3.08Å; I206-F221 HydrophobicContact CD1-CB 4.1Å; F221-H223 HydrophobicContact CD1-CB 4.18Å; F221-H223 HydrophobicContact CE1-CB 4.25Å; F221-H223 PolarHBondContact O-N 3.31Å
222K87.5Confident90Very high198 Ų19898.3 Ų98.386%0.86152%0.516SS*.  trans-7395.1176.4-65.3-173.3179.4-176.80110.1G224K222-G224 VanDerWaalsContact C-N 3.31Å; K222-G224 PolarHBondContact O-N 3.18Å
223H82.8Confident89.8Confident61 Ų6194.3 Ų94.328%0.28250%0.5SS..  trans-78-6.7-179.150.366.2000114.8P203 F221 G225 Y227P203-H223 PolarHBondContact O-CD2 3.2Å; P203-H223 PolarHBondContact O-NE2 3.25Å; F221-H223 HydrophobicContact CD1-CB 4.18Å; F221-H223 HydrophobicContact CE1-CB 4.25Å; F221-H223 PolarHBondContact O-N 3.31Å; H223-G225 PolarHBondContact CE1-O 3.25Å; H223-G225 PolarHBondContact ND1-N 3.18Å; H223-G225 PolarHBondContact ND1-O 3.42Å; H223-G225 PolarHBondContact O-N 2.93Å; H223-Y227 HydrophobicContact CB-CE2 4.22Å; H223-Y227 AromaticContact CE1-CD2 3.52Å; H223-Y227 AromaticContact CG-CD2 3.86Å; H223-Y227 AromaticContact CG-CE2 3.86Å; H223-Y227 AromaticContact ND1-CD2 3.35Å; H223-Y227 VanDerWaalsContact ND1-CD2 3.35Å; H223-Y227 WeakPolarHBondContact ND1-CD2 3.18Å; H223-Y227 AromaticContact ND1-CE2 3.52Å
224G83.4Confident89.8Confident82 Ų8292.2 Ų92.285%0.84548%0.478SS*.SBendtrans71.9-14.5175.200000116.3K222K222-G224 VanDerWaalsContact C-N 3.31Å; K222-G224 PolarHBondContact O-N 3.18Å
225G85.2Confident89.7Confident11 Ų1188.4 Ų88.411%0.11346%0.463CS..SBendtrans-90158.7170.500000113.9H223 Y227H223-G225 PolarHBondContact CE1-O 3.25Å; H223-G225 PolarHBondContact ND1-N 3.18Å; H223-G225 PolarHBondContact ND1-O 3.42Å; H223-G225 PolarHBondContact O-N 2.93Å; G225-Y227 PolarHBondContact O-N 3.4Å
226N87.8Confident89.6Confident126 Ų12686.2 Ų86.267%0.67445%0.452SS*.  trans-9483.8170-68.9-21.8000109.8G194G194-N226 PolarHBondContact N-O 3.27Å
227Y90Very high89.5Confident76 Ų7688 Ų8830%0.29846%0.455SS..EExtended strand (participates in β ladder)trans-92.2136.3177-59.8-70.8000110.9V192 G194 V196 P203 H223 G225V192-Y227 WeakPolarHBondContact O-CE1 3.4Å; V192-Y227 PolarHBondContact O-OH 3.18Å; G194-Y227 WeakPolarHBondContact O-CA 3.38Å; V196-Y227 HydrophobicContact CG1-CD1 4.15Å; V196-Y227 HydrophobicContact CG1-CG 4.34Å; P203-Y227 HydrophobicContact CG-CD1 4.38Å; P203-Y227 HydrophobicContact CG-CD2 3.37Å; P203-Y227 HydrophobicContact CG-CE2 3.71Å; P203-Y227 HydrophobicContact CG-CG 3.74Å; H223-Y227 HydrophobicContact CB-CE2 4.22Å; H223-Y227 AromaticContact CE1-CD2 3.52Å; H223-Y227 AromaticContact CG-CD2 3.86Å; H223-Y227 AromaticContact CG-CE2 3.86Å; H223-Y227 AromaticContact ND1-CD2 3.35Å; H223-Y227 VanDerWaalsContact ND1-CD2 3.35Å; H223-Y227 WeakPolarHBondContact ND1-CD2 3.18Å; H223-Y227 AromaticContact ND1-CE2 3.52Å; G225-Y227 PolarHBondContact O-N 3.4Å
228V90Very high89.2Confident76 Ų7684.8 Ų84.846%0.46144%0.442SS..EExtended strand (participates in β ladder)trans-128.6150.8177.4-630000109.7G194 P195 V196G194-V228 PolarHBondContact O-N 2.88Å; P195-V228 CarbonylContact C-O 3.53Å; P195-V228 VanDerWaalsContact CA-O 3.24Å; P195-V228 WeakPolarHBondContact CA-O 3.22Å; P195-V228 HydrophobicContact CB-CG2 4.1Å; V196-V228 PolarHBondContact N-O 3.33Å
229P88Confident88.8Confident89 Ų8985.9 Ų85.958%0.57845%0.448SS*.  trans-62.2144.9172.826.6-33.6000110.6V202V202-P229 HydrophobicContact CG2-CB 4.42Å
230A87.1Confident88.6Confident19 Ų1984.8 Ų84.816%0.15745%0.453CS..  trans-62.8134168.600000109.8V196 W198 K232V196-A230 WeakPolarHBondContact O-CB 3.06Å; W198-A230 HydrophobicContact CB-CB 4.1Å; W198-A230 HydrophobicContact CE3-CB 4.08Å; W198-A230 WeakPolarHBondContact CZ3-O 3.49Å; A230-K232 PolarHBondContact O-N 2.95Å
231P81.9Confident88.6Confident111 Ų11181.8 Ų81.872%0.72144%0.442SS*.SBendtrans-68.2-38.6-172.725-33.6000113.2V243P231-V243 HydrophobicContact CG-CG1 4.31Å
232K89.5Confident88.7Confident103 Ų10376 Ų7645%0.44842%0.416SS..SBendtrans-161.5167.5175.870.5-173.1-178.7-179.40110.5A230 D241 V243A230-K232 PolarHBondContact O-N 2.95Å; K232-D241 WeakPolarHBondContact CE-OD2 3.32Å; K232-D241 IonicContact NZ-OD2 3Å; K232-D241 PolarHBondContact NZ-OD2 3Å; K232-V243 HydrophobicContact CD-CG2 4.06Å; K232-V243 HydrophobicContact CG-CG1 4.47Å; K232-V243 HydrophobicContact CG-CG2 3.63Å
233E91.4Very high88.8Confident87 Ų8769 Ų6941%0.40739%0.389SS..PPolyproline II helixtrans-73.7141.9171.8-168.2150.1-136.100111.9R107 W198R107-E233 IonicContact CZ-OE1 2.73Å; R107-E233 IonicContact NH1-OE1 3.31Å; R107-E233 PolarHBondContact NH1-OE1 3.33Å; R107-E233 IonicContact NH2-OE1 3.53Å; W198-E233 VanDerWaalsContact CD1-CD 3.44Å; W198-E233 HydrophobicContact CD2-CB 4.12Å; W198-E233 HydrophobicContact CG-CB 3.95Å; W198-E233 HydrophobicContact CG-CG 4.35Å
234G92Very high89.1Confident7 Ų767.6 Ų67.67%0.07238%0.384CS..PPolyproline II helixtrans-71141.1172.400000112.2F236 R242G234-F236 VanDerWaalsContact O-CD2 3.31Å; G234-F236 WeakPolarHBondContact O-CD2 3.44Å; G234-F236 WeakPolarHBondContact O-CE2 3.35Å; G234-R242 WeakPolarHBondContact CA-O 3.49Å
235S93.8Very high89.4Confident27 Ų2770.6 Ų70.619%0.18937%0.374CS..PPolyproline II helixtrans-71.9132.1178.5-177.60000112.2L113 E237 D241 R242L113-S235 VanDerWaalsContact CD2-O 3.25Å; L113-S235 WeakPolarHBondContact CD2-O 3.2Å; S235-E237 PolarHBondContact OG-N 3.13Å; S235-D241 WeakPolarHBondContact CB-O 3.44Å; S235-D241 PolarHBondContact N-O 3.41Å; S235-R242 VanDerWaalsContact O-CD 3.31Å; S235-R242 WeakPolarHBondContact O-CD 3.47Å; S235-R242 PolarHBondContact O-NH1 2.94Å
236F92.7Very high89.8Confident35 Ų3571.4 Ų71.415%0.15438%0.375CS..  trans-101.30.9170.8-65.4-91.7000113K109 L112 L113 F116 G234K109-F236 HydrophobicContact CD-CE1 4.35Å; K109-F236 HydrophobicContact CD-CZ 4.01Å; K109-F236 HydrophobicContact CG-CE1 3.97Å; K109-F236 HydrophobicContact CG-CZ 3.88Å; L112-F236 HydrophobicContact CB-CE1 4.2Å; L112-F236 HydrophobicContact CD2-CD1 3.85Å; L112-F236 HydrophobicContact CD2-CE1 4.09Å; L112-F236 HydrophobicContact CG-CD1 4.25Å; L112-F236 HydrophobicContact CG-CE1 4.35Å; L113-F236 HydrophobicContact CD1-CE1 4.38Å; L113-F236 HydrophobicContact CD1-CE2 4.33Å; L113-F236 HydrophobicContact CD1-CZ 3.86Å; L113-F236 HydrophobicContact CD2-CD1 3.73Å; L113-F236 HydrophobicContact CD2-CD2 4.12Å; L113-F236 HydrophobicContact CD2-CE1 3.55Å; L113-F236 HydrophobicContact CD2-CE2 3.95Å; L113-F236 HydrophobicContact CD2-CG 4.01Å; L113-F236 HydrophobicContact CD2-CZ 3.66Å; L113-F236 HydrophobicContact CG-CD1 4.27Å; L113-F236 HydrophobicContact CG-CE1 3.58Å; L113-F236 HydrophobicContact CG-CE2 4.26Å; L113-F236 HydrophobicContact CG-CZ 3.57Å; F116-F236 HydrophobicContact CD2-CD1 4.34Å; F116-F236 HydrophobicContact CE2-CB 4.05Å; F116-F236 AromaticContact CE2-CD1 3.89Å; F116-F236 HydrophobicContact CE2-CD1 3.89Å; F116-F236 HydrophobicContact CE2-CG 4.43Å; F116-F236 WeakPolarHBondContact CE2-O 3.41Å; G234-F236 VanDerWaalsContact O-CD2 3.31Å; G234-F236 WeakPolarHBondContact O-CD2 3.44Å; G234-F236 WeakPolarHBondContact O-CE2 3.35Å
237E92.3Very high90Very high131 Ų13165.4 Ų65.461%0.61234%0.344SS*.SBendtrans-74.5163.6177.5-62.5-57.6151.600111.6F140 S235 Y239 R242F140-E237 VanDerWaalsContact CZ-O 3.25Å; F140-E237 WeakPolarHBondContact CZ-O 3.37Å; S235-E237 PolarHBondContact OG-N 3.13Å; E237-Y239 PolarHBondContact O-N 2.84Å; E237-Y239 VanDerWaalsContact O-N 3.1Å; E237-R242 PolarHBondContact O-NH1 2.95Å; E237-R242 PolarHBondContact O-NH2 3.27Å
238L87.5Confident90.2Very high46 Ų4664.1 Ų64.124%0.24134%0.344CS..SBendtrans-52.9-37.7178.9-173.963.7000112.8K123 F140 R242K123-L238 VanDerWaalsContact NZ-CD1 3.28Å; F140-L238 HydrophobicContact CB-CD1 3.82Å; F140-L238 HydrophobicContact CD1-CB 4.36Å; F140-L238 HydrophobicContact CD1-CD1 3.45Å; F140-L238 VanDerWaalsContact CD1-CD1 3.45Å; F140-L238 HydrophobicContact CD2-CD1 3.98Å; F140-L238 VanDerWaalsContact CE1-CA 3.43Å; F140-L238 HydrophobicContact CE1-CB 4.22Å; F140-L238 HydrophobicContact CE1-CD1 4.03Å; F140-L238 HydrophobicContact CE2-CD1 4.46Å; F140-L238 HydrophobicContact CG-CD1 3.46Å; F140-L238 VanDerWaalsContact CG-CD1 3.46Å; F140-L238 HydrophobicContact CZ-CD1 4.5Å; L238-R242 PolarHBondContact O-NH2 3.44Å; L238-R242 VanDerWaalsContact O-NH2 3.15Å
239Y87.7Confident90.2Very high170 Ų17061.9 Ų61.967%0.66733%0.329SS*.SBendtrans-124.9139.1174.7-54.5-73.4000110.3E237E237-Y239 PolarHBondContact O-N 2.84Å; E237-Y239 VanDerWaalsContact O-N 3.1Å
240G89.1Confident90.2Very high43 Ų4358.2 Ų58.244%0.44331%0.305SS..SBendtrans156.8170173.100000112.7R242G240-R242 PolarHBondContact O-N 3.46Å
241D90.6Very high90Very high92 Ų9259.2 Ų59.249%0.49230%0.304SS..  trans-74.6117176.8-179.18.3000110.2K232 S235 V243K232-D241 WeakPolarHBondContact CE-OD2 3.32Å; K232-D241 IonicContact NZ-OD2 3Å; K232-D241 PolarHBondContact NZ-OD2 3Å; S235-D241 WeakPolarHBondContact CB-O 3.44Å; S235-D241 PolarHBondContact N-O 3.41Å; D241-V243 PolarHBondContact O-N 3Å; D241-V243 WeakPolarHBondContact OD1-CA 3.37Å; D241-V243 PolarHBondContact OD1-N 3.48Å
242R92.1Very high89.6Confident6 Ų656.3 Ų56.32%0.02329%0.287CS..  trans-70.5-22177.5-53.2-50.2176.9-161.1-5.7112.3N117 D120 G234 S235 E237 L238 G240 L244N117-R242 WeakPolarHBondContact OD1-CB 3.32Å; N117-R242 WeakPolarHBondContact OD1-CG 3.29Å; D120-R242 IonicContact OD1-NH2 2.89Å; D120-R242 PolarHBondContact OD1-NH2 2.84Å; D120-R242 IonicContact OD2-CZ 3.42Å; D120-R242 VanDerWaalsContact OD2-CZ 3.25Å; D120-R242 IonicContact OD2-NE 3Å; D120-R242 PolarHBondContact OD2-NE 2.68Å; D120-R242 IonicContact OD2-NH2 3.6Å; D120-R242 PolarHBondContact OD2-NH2 2.94Å; G234-R242 WeakPolarHBondContact CA-O 3.49Å; S235-R242 VanDerWaalsContact O-CD 3.31Å; S235-R242 WeakPolarHBondContact O-CD 3.47Å; S235-R242 PolarHBondContact O-NH1 2.94Å; E237-R242 PolarHBondContact O-NH1 2.95Å; E237-R242 PolarHBondContact O-NH2 3.27Å; L238-R242 PolarHBondContact O-NH2 3.44Å; L238-R242 VanDerWaalsContact O-NH2 3.15Å; G240-R242 PolarHBondContact O-N 3.46Å; R242-L244 PolarHBondContact O-N 2.88Å
243V89.9Confident87.8Confident50 Ų5057.9 Ų57.930%0.30331%0.305SS..  trans63.4-38.2-175.9-174.60000114.1P231 K232 D241P231-V243 HydrophobicContact CG-CG1 4.31Å; K232-V243 HydrophobicContact CD-CG2 4.06Å; K232-V243 HydrophobicContact CG-CG1 4.47Å; K232-V243 HydrophobicContact CG-CG2 3.63Å; D241-V243 PolarHBondContact O-N 3Å; D241-V243 WeakPolarHBondContact OD1-CA 3.37Å; D241-V243 PolarHBondContact OD1-N 3.48Å
244L88.4Confident85.3Confident33 Ų3360.9 Ų60.917%0.17332%0.324CS..  trans-72.3123.8176.2-169.868.6000110D110 L113 V114 N117 R242 L246D110-L244 HydrophobicContact CB-CD2 4.09Å; L113-L244 HydrophobicContact CB-CD2 3.83Å; V114-L244 HydrophobicContact CG2-CD2 3.83Å; N117-L244 PolarHBondContact ND2-O 2.89Å; R242-L244 PolarHBondContact O-N 2.88Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 HydrophobicContact CD1-CB 4.34Å; L244-L246 HydrophobicContact CD1-CD1 3.99Å; L244-L246 HydrophobicContact CD1-CG 4Å; L244-L246 HydrophobicContact CD2-CB 3.96Å; L244-L246 HydrophobicContact CD2-CD1 4.32Å; L244-L246 HydrophobicContact CD2-CG 4.43Å; L244-L246 HydrophobicContact CG-CB 3.85Å; L244-L246 HydrophobicContact CG-CD1 4.34Å; L244-L246 HydrophobicContact CG-CG 4.09Å
245K90.8Very high83Confident144 Ų14466.3 Ų66.363%0.62634%0.342SS*.  trans-77.8-14.7174.8-63.7-179.5-179.5174.80113.1T248 E258K245-T248 WeakPolarHBondContact O-CB 3.42Å; K245-T248 WeakPolarHBondContact O-CG2 3.42Å; K245-T248 PolarHBondContact O-N 2.73Å; K245-T248 PolarHBondContact O-OG1 3.48Å; K245-E258 IonicContact NZ-OE2 3.55Å; K245-E258 PolarHBondContact NZ-OE2 3.32Å
246L93.3Very high80Confident28 Ų2870.9 Ų70.915%0.14737%0.371CS..THydrogen-bonded Turntrans-67.1142.9176.8-57.3178.3000110.4Q101 L104 V114 N117 L244 T248Q101-L246 HydrophobicContact CG-CD2 4.41Å; L104-L246 HydrophobicContact CB-CD1 3.9Å; L104-L246 HydrophobicContact CB-CD2 3.96Å; L104-L246 HydrophobicContact CD1-CD2 3.93Å; V114-L246 HydrophobicContact CG2-CB 3.64Å; V114-L246 HydrophobicContact CG2-CD1 4.45Å; N117-L246 PolarHBondContact ND2-O 3Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 HydrophobicContact CD1-CB 4.34Å; L244-L246 HydrophobicContact CD1-CD1 3.99Å; L244-L246 HydrophobicContact CD1-CG 4Å; L244-L246 HydrophobicContact CD2-CB 3.96Å; L244-L246 HydrophobicContact CD2-CD1 4.32Å; L244-L246 HydrophobicContact CD2-CG 4.43Å; L244-L246 HydrophobicContact CG-CB 3.85Å; L244-L246 HydrophobicContact CG-CD1 4.34Å; L244-L246 HydrophobicContact CG-CG 4.09Å; L246-T248 VanDerWaalsContact C-N 3.28Å
247G92.8Very high77.1Confident1 Ų173.2 Ų73.21%0.0139%0.388CS..THydrogen-bonded Turntrans84.2-5.3-17400000114.7Y19 Q101Y19-G247 WeakPolarHBondContact CE2-O 3.28Å; Y19-G247 PolarHBondContact OH-O 3.31Å; Q101-G247 VanDerWaalsContact OE1-CA 3.27Å
248T93.7Very high74.4Confident49 Ų4974.3 Ų74.330%0.30139%0.393SS..SBendtrans-83.6155.3170.967.40000111.2N117 K245 L246 M250N117-T248 HydrophobicContact CB-CG2 4.46Å; K245-T248 WeakPolarHBondContact O-CB 3.42Å; K245-T248 WeakPolarHBondContact O-CG2 3.42Å; K245-T248 PolarHBondContact O-N 2.73Å; K245-T248 PolarHBondContact O-OG1 3.48Å; L246-T248 VanDerWaalsContact C-N 3.28Å; T248-M250 PolarHBondContact O-N 3.35Å
249N90.6Very high71.9Confident28 Ų2876 Ų7615%0.1541%0.405CS..  trans-60.6109.2-178.1-176.8-8000111.9Y19 Q23 Y251 S252Y19-N249 HydrophobicContact CD1-CB 4.11Å; Y19-N249 HydrophobicContact CD2-CB 4.07Å; Y19-N249 HydrophobicContact CE1-CB 4.26Å; Y19-N249 HydrophobicContact CE2-CB 4.19Å; Y19-N249 HydrophobicContact CG-CB 4.01Å; Q23-N249 PolarHBondContact NE2-ND2 3.5Å; N249-Y251 WeakPolarHBondContact OD1-CB 3.34Å; N249-Y251 PolarHBondContact OD1-N 3.26Å; N249-S252 PolarHBondContact ND2-OG 3.38Å
250M86.5Confident69.2Low13 Ų1376.4 Ų76.46%0.06441%0.413CS..THydrogen-bonded Turntrans-86.1-7.3179.963.9-178.5-16.700114.8A97 Y100 M175 F176 T248A97-M250 HydrophobicContact CB-SD 3.81Å; Y100-M250 HydrophobicContact CD1-CE 4.31Å; M175-M250 HydrophobicContact CE-CB 4.34Å; M175-M250 HydrophobicContact CE-CE 4.31Å; M175-M250 HydrophobicContact CE-CG 3.71Å; M175-M250 HydrophobicContact CE-SD 3.92Å; F176-M250 HydrophobicContact CE1-CE 3.3Å; F176-M250 HydrophobicContact CE1-SD 4Å; F176-M250 HydrophobicContact CZ-CE 3.67Å; F176-M250 HydrophobicContact CZ-SD 3.79Å; T248-M250 PolarHBondContact O-N 3.35Å
251Y83.6Confident66.6Low39 Ų3981.1 Ų81.115%0.15343%0.425CS..THydrogen-bonded Turntrans-95.3-3.8-175.1-53.9-82.8000113.1E16 I20 A97 M175 N249E16-Y251 WeakPolarHBondContact OE2-CE2 3.45Å; I20-Y251 HydrophobicContact CD1-CE2 4.34Å; I20-Y251 HydrophobicContact CG1-CD2 4.2Å; I20-Y251 HydrophobicContact CG1-CE1 3.97Å; I20-Y251 HydrophobicContact CG1-CE2 3.62Å; I20-Y251 VanDerWaalsContact CG1-CZ 3.49Å; A97-Y251 WeakPolarHBondContact CB-OH 3.35Å; M175-Y251 HydrophobicContact CE-CD1 3.53Å; M175-Y251 HydrophobicContact CE-CE1 3.52Å; M175-Y251 HydrophobicContact CE-CG 4.33Å; M175-Y251 HydrophobicContact SD-CD1 4Å; N249-Y251 WeakPolarHBondContact OD1-CB 3.34Å; N249-Y251 PolarHBondContact OD1-N 3.26Å
252S74.4Confident63.6Low50 Ų5082.3 Ų82.335%0.3544%0.441SS..  trans-70.4137178.2-68.90000111.6N249 N254N249-S252 PolarHBondContact ND2-OG 3.38Å; S252-N254 PolarHBondContact O-N 3.1Å; S252-N254 VanDerWaalsContact O-N 3.09Å
253V51.4Low60.4Low136 Ų13685.6 Ų85.682%0.82448%0.476SS*.SBendtrans-63.3-17.7-172-173.60000113.8
254N37.3Very low57.4Low151 Ų15189.1 Ų89.181%0.80750%0.503SS*.  trans-105.688.8-178.3-66.4-24.7000111.6S252S252-N254 PolarHBondContact O-N 3.1Å; S252-N254 VanDerWaalsContact O-N 3.09Å
255R44.8Very low54.4Low121 Ų12193.5 Ų93.546%0.45754%0.536SS..  trans-119.2126.5163.5-105.8-176.4177.2-1750.1110.8V257R255-V257 HydrophobicContact CB-CG2 4.48Å; R255-V257 PolarHBondContact O-N 3.38Å
256P29.7Very low51.4Low122 Ų12295.5 Ų95.579%0.79255%0.545SS*.  trans-72.5110.5149.921.3-12.1000107.3E258P256-E258 PolarHBondContact O-N 2.63Å
257V33.8Very low48.2Very low84 Ų84102.4 Ų102.451%0.50958%0.582SS.*  trans-79102.4178.2-171.60000108.2R255 T259R255-V257 HydrophobicContact CB-CG2 4.48Å; R255-V257 PolarHBondContact O-N 3.38Å; V257-T259 VanDerWaalsContact C-N 3.29Å; V257-T259 HydrophobicContact CG1-CG2 3.83Å; V257-T259 VanDerWaalsContact CG1-OG1 3.29Å; V257-T259 WeakPolarHBondContact CG1-OG1 2.84Å; V257-T259 PolarHBondContact O-N 2.77Å; V257-T259 VanDerWaalsContact O-N 3.08Å
258E33.9Very low45Very low155 Ų155110.4 Ų110.472%0.72462%0.624SS**  trans-79.580.8167.4-73.2177.6156.300109K245 P256K245-E258 IonicContact NZ-OE2 3.55Å; K245-E258 PolarHBondContact NZ-OE2 3.32Å; P256-E258 PolarHBondContact O-N 2.63Å
259T34.7Very low41.8Very low80 Ų80112.4 Ų112.449%0.49165%0.646SS.*  trans-113.194.1169.633.90000109.8V257 M261V257-T259 VanDerWaalsContact C-N 3.29Å; V257-T259 HydrophobicContact CG1-CG2 3.83Å; V257-T259 VanDerWaalsContact CG1-OG1 3.29Å; V257-T259 WeakPolarHBondContact CG1-OG1 2.84Å; V257-T259 PolarHBondContact O-N 2.77Å; V257-T259 VanDerWaalsContact O-N 3.08Å; T259-M261 PolarHBondContact O-N 3Å
260H32.6Very low38.8Very low180 Ų180116.6 Ų116.683%0.83368%0.677SS**  trans-79.5103.1156.6-72.8-76.6000107.7
261M33.9Very low36Very low142 Ų142126.5 Ų126.570%0.771%0.713SS**  trans-127.8125.7175.1-74.7-61.1-58.700110.3T259T259-M261 PolarHBondContact O-N 3Å
262S27.3Very low33.1Very low117 Ų117130.7 Ų130.782%0.81874%0.743SS**  trans-125.2119.3166.8520000110.2
263G26Very low30.8Very low75 Ų75136.8 Ų136.877%0.77377%0.766SS**  trans82.797.6141.200000120.7
264S26.4Very low29.6Very low124 Ų124138.8 Ų138.887%0.86777%0.767SS**  trans23.6135.2137.9-53.50000122.2
265S25.2Very low28.9Very low124 Ų124137.4 Ų137.487%0.86777%0.769SS**  177.3158.789-1440000113.3
266K26.9Very low28.3Very low186 Ų186139.4 Ų139.481%0.80979%0.787SS**  trans-74154.3-166.8-64.2170.8174.4175.80114.5
267N27.7Very low28.3Very low174 Ų174137.4 Ų137.493%0.9378%0.781SS**  -174.3161.3128.9-88.6-29000114.4
268L24.9Very low28.4Very low169 Ų169139.4 Ų139.489%0.88580%0.795SS**  trans-111.3166.4-154.3-166.274.1000112.8
269A26.7Very low28.8Very low91 Ų91137 Ų13775%0.75279%0.787SS**  trans87.8148.4163.300000116.8
270S27.1Very low29.1Very low115 Ų115138.4 Ų138.480%0.80480%0.798SS**  cis-155.2155.4-0.538.20000108.4
271R27Very low29.7Very low221 Ų221135 Ų13583%0.83479%0.785SS**  trans-93.9130.5-174.4-135.1174.7-179.3174-4.2109.7
272T23.5Very low30.4Very low127 Ų127129.3 Ų129.378%0.77976%0.761SS**  trans-111.4122.3165.8-48.80000107.2
273Q25.8Very low31.1Very low178 Ų178130.8 Ų130.883%0.83275%0.753SS**  trans-81.2128.5175.3-75.2177.5-3600109
274E25.5Very low32.4Very low179 Ų179134.4 Ų134.484%0.83675%0.749SS**  trans-128130.8159.8-79.7-172.7169.500110
275S24.3Very low33.9Very low121 Ų121131.6 Ų131.685%0.84672%0.722SS**  trans-71.2128.3-178.3158.80000110.9
276I32.4Very low35.2Very low164 Ų164126.8 Ų126.884%0.84169%0.687SS**  trans-118.2104.7170.8-56.7174.9000108.3
277A29.5Very low36.1Very low80 Ų80121.4 Ų121.466%0.66167%0.667SS**PPolyproline II helixtrans-69.7145.3168.700000110.7N279A277-N279 PolarHBondContact O-N 3.02Å
278P36Very low37.4Very low126 Ų126118.2 Ų118.282%0.81865%0.645SS**PPolyproline II helixtrans-72.3128.6-174.226.2-32000112.9
279N40.7Very low38.9Very low104 Ų104110.7 Ų110.756%0.55661%0.606SS**PPolyproline II helixtrans-73.7124.5177-177.6-4.6000111.2A277 L281 A282A277-N279 PolarHBondContact O-N 3.02Å; N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.16Å; N279-L281 PolarHBondContact OD1-N 3.07Å; N279-L281 VanDerWaalsContact OD1-N 3.15Å; N279-A282 PolarHBondContact O-N 3.12Å
280P41.8Very low40.2Very low109 Ų109107.1 Ų107.171%0.70858%0.576SS**THydrogen-bonded Turntrans-65.4-19.8-179.223.7-33000115.4A282 K283P280-A282 VanDerWaalsContact C-N 3.26Å; P280-A282 PolarHBondContact O-N 3.31Å; P280-K283 PolarHBondContact O-N 3.05Å
281L44.5Very low41.6Very low108 Ų108111.4 Ų111.457%0.56558%0.575SS**Hα-helixtrans-64.3-28.1175.6-92.5107.6000113.5N279 K283 E284 E285N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.16Å; N279-L281 PolarHBondContact OD1-N 3.07Å; N279-L281 VanDerWaalsContact OD1-N 3.15Å; L281-K283 PolarHBondContact O-N 3.41Å; L281-K283 VanDerWaalsContact O-N 3.1Å; L281-E284 PolarHBondContact O-N 3.45Å; L281-E285 PolarHBondContact O-N 3.49Å
282A48.2Very low42.8Very low24 Ų24103.4 Ų103.420%0.19855%0.548CS..Hα-helixtrans-63.3-21.7-178.100000113N279 P280 L286N279-A282 PolarHBondContact O-N 3.12Å; P280-A282 VanDerWaalsContact C-N 3.26Å; P280-A282 PolarHBondContact O-N 3.31Å; A282-L286 VanDerWaalsContact O-CB 3.32Å; A282-L286 WeakPolarHBondContact O-CB 3.1Å; A282-L286 WeakPolarHBondContact O-CD1 3.35Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.37Å
283K43.2Very low44.1Very low148 Ų14898 Ų9864%0.64351%0.514SS*.Hα-helixtrans-76.3-36.2179.3-169.2177.9179.7-179.10112.3P280 L281 N287P280-K283 PolarHBondContact O-N 3.05Å; L281-K283 PolarHBondContact O-N 3.41Å; L281-K283 VanDerWaalsContact O-N 3.1Å; K283-N287 PolarHBondContact O-N 3.03Å; K283-N287 VanDerWaalsContact O-N 3.1Å; K283-N287 PolarHBondContact O-ND2 3.27Å
284E52.7Low45.1Very low150 Ų15092.2 Ų92.270%0.70150%0.503SS*.Hα-helixtrans-75.3-38.1179-64-160.8155.600111.5L281 L286 N287 F288L281-E284 PolarHBondContact O-N 3.45Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 3.33Å; E284-N287 PolarHBondContact O-N 2.94Å; E284-F288 PolarHBondContact O-N 3.04Å
285E57.3Low46Very low65 Ų6586.8 Ų86.830%0.30449%0.494SS..Hα-helixtrans-60-43.6171.7-65.4178.9170.900111.9L281 N287 F288 L289L281-E285 PolarHBondContact O-N 3.49Å; E285-N287 PolarHBondContact O-N 3.07Å; E285-F288 PolarHBondContact O-N 3.16Å; E285-L289 WeakPolarHBondContact O-CB 3.24Å; E285-L289 PolarHBondContact O-N 3.07Å
286L52.8Low47Very low23 Ų2382.3 Ų82.312%0.1246%0.46CS..Hα-helixtrans-60.5-42.3174.8-90170.8000112.5A66 A282 E284 A290A66-L286 VanDerWaalsContact CA-CD2 3.45Å; A66-L286 HydrophobicContact CB-CD1 4.24Å; A66-L286 HydrophobicContact CB-CD2 3.51Å; A66-L286 HydrophobicContact CB-CG 3.64Å; A282-L286 VanDerWaalsContact O-CB 3.32Å; A282-L286 WeakPolarHBondContact O-CB 3.1Å; A282-L286 WeakPolarHBondContact O-CD1 3.35Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.37Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 3.33Å; L286-A290 WeakPolarHBondContact O-CB 3.48Å; L286-A290 PolarHBondContact O-N 2.85Å
287N46.9Very low47.5Very low73 Ų7383.3 Ų83.339%0.3946%0.461SS..Hα-helixtrans-71.4-38.7179.5-77.8-20.4000112.2K283 E284 E285 A290 R291K283-N287 PolarHBondContact O-N 3.03Å; K283-N287 VanDerWaalsContact O-N 3.1Å; K283-N287 PolarHBondContact O-ND2 3.27Å; E284-N287 PolarHBondContact O-N 2.94Å; E285-N287 PolarHBondContact O-N 3.07Å; N287-A290 PolarHBondContact O-N 3.47Å; N287-R291 VanDerWaalsContact O-CB 3.29Å; N287-R291 WeakPolarHBondContact O-CB 3.29Å; N287-R291 PolarHBondContact O-N 2.9Å
288F54.8Low48.3Very low107 Ų10784.1 Ų84.147%0.46945%0.454SS..Hα-helixtrans-62.3-46.7175-178.5-110.5000111.1E284 E285 R291 L292E284-F288 PolarHBondContact O-N 3.04Å; E285-F288 PolarHBondContact O-N 3.16Å; F288-R291 WeakPolarHBondContact O-CB 3.48Å; F288-R291 PolarHBondContact O-N 3.41Å; F288-L292 HydrophobicContact CD1-CD1 3.83Å; F288-L292 HydrophobicContact CE1-CD1 3.35Å; F288-L292 HydrophobicContact CE1-CG 4.29Å; F288-L292 HydrophobicContact CE2-CD1 4.41Å; F288-L292 HydrophobicContact CZ-CD1 3.68Å; F288-L292 HydrophobicContact CZ-CG 4.27Å; F288-L292 WeakPolarHBondContact O-CG 3.28Å; F288-L292 PolarHBondContact O-N 2.98Å
289L55.9Low48.6Very low12 Ų1287 Ų876%0.06345%0.453CS..Hα-helixtrans-72.2-34.2179-161.2123.6000112.3F51 Y62 V70 E285 R291 L292 M293F51-L289 HydrophobicContact CE2-CD1 4.2Å; Y62-L289 HydrophobicContact CD2-CD1 4.37Å; Y62-L289 HydrophobicContact CE1-CD1 4.49Å; Y62-L289 HydrophobicContact CE2-CD1 3.42Å; Y62-L289 VanDerWaalsContact CE2-CD1 3.42Å; Y62-L289 WeakPolarHBondContact OH-CD1 3.46Å; V70-L289 HydrophobicContact CB-CD2 4.18Å; V70-L289 HydrophobicContact CG1-CD2 4.02Å; V70-L289 HydrophobicContact CG2-CD2 3.19Å; E285-L289 WeakPolarHBondContact O-CB 3.24Å; E285-L289 PolarHBondContact O-N 3.07Å; L289-R291 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.36Å; L289-M293 HydrophobicContact CD2-CG 4.07Å; L289-M293 HydrophobicContact CG-CG 4.43Å; L289-M293 VanDerWaalsContact O-CB 3.23Å; L289-M293 WeakPolarHBondContact O-CB 3.37Å; L289-M293 VanDerWaalsContact O-CG 3.31Å; L289-M293 WeakPolarHBondContact O-CG 3.49Å; L289-M293 PolarHBondContact O-N 3.19Å
290A54.2Low48.6Very low16 Ų1690.9 Ų90.913%0.13247%0.465CS..Hα-helixtrans-63.6-31.7171.100000112.3R73 L286 N287 G294R73-A290 VanDerWaalsContact NH1-CA 3.31Å; R73-A290 PolarHBondContact NH1-O 3.43Å; L286-A290 WeakPolarHBondContact O-CB 3.48Å; L286-A290 PolarHBondContact O-N 2.85Å; N287-A290 PolarHBondContact O-N 3.47Å; A290-G294 VanDerWaalsContact O-CA 3.29Å; A290-G294 WeakPolarHBondContact O-CA 3.35Å; A290-G294 PolarHBondContact O-N 3.18Å
291R55.6Low48.6Very low205 Ų20588.9 Ų88.977%0.77445%0.453SS*.Hα-helixtrans-75.5-38.3174.8-168.9175-178.1175.80.3111.9N287 F288 L289 G294 G295N287-R291 VanDerWaalsContact O-CB 3.29Å; N287-R291 WeakPolarHBondContact O-CB 3.29Å; N287-R291 PolarHBondContact O-N 2.9Å; F288-R291 WeakPolarHBondContact O-CB 3.48Å; F288-R291 PolarHBondContact O-N 3.41Å; L289-R291 PolarHBondContact O-N 2.98Å; R291-G294 PolarHBondContact O-N 3.45Å; R291-G295 PolarHBondContact O-N 2.96Å
292L52.7Low48.2Very low53 Ų5389.8 Ų89.828%0.27747%0.468SS..Hα-helixtrans-68.4-45.2173.7-71.3172.3000112E54 F288 L289 G294 M296E54-L292 HydrophobicContact CB-CD1 4.12Å; E54-L292 HydrophobicContact CG-CD1 3.86Å; E54-L292 HydrophobicContact CG-CD2 4.31Å; F288-L292 HydrophobicContact CD1-CD1 3.83Å; F288-L292 HydrophobicContact CE1-CD1 3.35Å; F288-L292 HydrophobicContact CE1-CG 4.29Å; F288-L292 HydrophobicContact CE2-CD1 4.41Å; F288-L292 HydrophobicContact CZ-CD1 3.68Å; F288-L292 HydrophobicContact CZ-CG 4.27Å; F288-L292 WeakPolarHBondContact O-CG 3.28Å; F288-L292 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.36Å; L292-G294 VanDerWaalsContact C-N 3.34Å; L292-M296 WeakPolarHBondContact O-CG 3.41Å; L292-M296 PolarHBondContact O-N 2.86Å
293M51.4Low48Very low13 Ų1390.7 Ų90.76%0.06448%0.48CS..Hα-helixtrans-71.1-27.4174.4-71.4-74.4-65.800112.8T45 F51 R73 L74 L289 M296T45-M293 HydrophobicContact CG2-CE 4.44Å; F51-M293 HydrophobicContact CD2-SD 4.11Å; F51-M293 HydrophobicContact CE2-SD 4.15Å; R73-M293 HydrophobicContact CB-CE 4.08Å; L74-M293 HydrophobicContact CD2-CE 4.04Å; L74-M293 HydrophobicContact CG-CE 4.29Å; L289-M293 HydrophobicContact CD2-CG 4.07Å; L289-M293 HydrophobicContact CG-CG 4.43Å; L289-M293 VanDerWaalsContact O-CB 3.23Å; L289-M293 WeakPolarHBondContact O-CB 3.37Å; L289-M293 VanDerWaalsContact O-CG 3.31Å; L289-M293 WeakPolarHBondContact O-CG 3.49Å; L289-M293 PolarHBondContact O-N 3.19Å; M293-M296 WeakPolarHBondContact O-CB 3.44Å; M293-M296 HydrophobicContact SD-SD 3.86Å
294G46Very low48Very low57 Ų5790.2 Ų90.259%0.58849%0.491SS*.Hα-helixtrans-83.4-22.917700000113.7A290 R291 L292 M296A290-G294 VanDerWaalsContact O-CA 3.29Å; A290-G294 WeakPolarHBondContact O-CA 3.35Å; A290-G294 PolarHBondContact O-N 3.18Å; R291-G294 PolarHBondContact O-N 3.45Å; L292-G294 VanDerWaalsContact C-N 3.34Å; G294-M296 VanDerWaalsContact C-N 3.27Å
295G45.2Very low48Very low64 Ų6487.1 Ų87.166%0.6648%0.477SS*.SBendtrans-79.7-8.1167.100000113.4R291 E297R291-G295 PolarHBondContact O-N 2.96Å; G295-E297 PolarHBondContact O-N 3.44Å
296M45.2Very low48.4Very low27 Ų2789.7 Ų89.713%0.13350%0.499CS..SBendtrans-80.4108.6163.9-64.3169.162.200107T45 N48 F51 L292 M293 G294 I298T45-M296 HydrophobicContact CG2-CE 3.65Å; T45-M296 WeakPolarHBondContact O-CE 3.4Å; N48-M296 HydrophobicContact CB-CE 3.37Å; N48-M296 HydrophobicContact CB-SD 4.25Å; F51-M296 HydrophobicContact CB-SD 4.16Å; L292-M296 WeakPolarHBondContact O-CG 3.41Å; L292-M296 PolarHBondContact O-N 2.86Å; M293-M296 WeakPolarHBondContact O-CB 3.44Å; M293-M296 HydrophobicContact SD-SD 3.86Å; G294-M296 VanDerWaalsContact C-N 3.27Å; M296-I298 VanDerWaalsContact C-N 3.32Å; M296-I298 PolarHBondContact O-N 3.34Å
297E42.3Very low49.3Very low185 Ų18590.9 Ų90.986%0.86452%0.518SS*.  trans-58.3101167.5-70.8-173.7168.200108G295 K299G295-E297 PolarHBondContact O-N 3.44Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.23Å
298I46.4Very low51.1Low98 Ų9889.4 Ų89.450%0.50351%0.508SS..  trans-59.7107165.1-58.6172.9000103.7M296 K300M296-I298 VanDerWaalsContact C-N 3.32Å; M296-I298 PolarHBondContact O-N 3.34Å; I298-K300 VanDerWaalsContact C-N 3.29Å; I298-K300 PolarHBondContact O-N 3.03Å
299K43.3Very low52.3Low185 Ų18594 Ų9480%0.80452%0.522SS*.  trans-54.7101175.4-76.3-176.5177.7178.20106.5E297E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.23Å
300K40Very low53.7Low186 Ų18693.5 Ų93.581%0.80952%0.519SS*.  trans-54131168-74.3-177.2179.3176.70105.1I298 S302I298-K300 VanDerWaalsContact C-N 3.29Å; I298-K300 PolarHBondContact O-N 3.03Å; K300-S302 PolarHBondContact O-N 3.4Å
301P41.1Very low55Low68 Ų6895.4 Ų95.444%0.44253%0.527SS..  trans-52.6117.5-178.220.6-31.7000108I79 G303I79-P301 HydrophobicContact CG2-CB 3.86Å; I79-P301 HydrophobicContact CG2-CG 4.1Å; P301-G303 PolarHBondContact O-N 3.41Å
302S37.5Very low56.2Low126 Ų12685.7 Ų85.788%0.88149%0.491SS*.SBendtrans-71.982.5174.249.90000107.6K300K300-S302 PolarHBondContact O-N 3.4Å
303G43.8Very low57.4Low44 Ų4484 Ų8445%0.45448%0.481SS..SBendtrans160.4156.1175.900000113.3P301 E305P301-G303 PolarHBondContact O-N 3.41Å; G303-E305 PolarHBondContact O-N 3.43Å
304P42.5Very low58.4Low137 Ų13788.6 Ų88.689%0.8951%0.51SS*.  trans-77.226.3-179.835.1-36.7000113.2P306P304-P306 VanDerWaalsContact O-CD 3.31Å; P304-P306 WeakPolarHBondContact O-CD 3.37Å
305E52.8Low59.6Low85 Ų8589.3 Ų89.340%0.39750%0.503SS..PPolyproline II helixtrans-77119.1-179.9-73.6-159.5129.300110.2K37 G303 G307K37-E305 IonicContact NZ-OE2 3.95Å; G303-E305 PolarHBondContact O-N 3.43Å; E305-G307 PolarHBondContact O-N 3.25Å
306P65Low60.8Low119 Ų11992.1 Ų92.177%0.77350%0.503SS*.PPolyproline II helixtrans-64.1128.2173.226.2-31.4000108.9P304P304-P306 VanDerWaalsContact O-CD 3.31Å; P304-P306 WeakPolarHBondContact O-CD 3.37Å
307G72.9Confident61.8Low49 Ų4997.5 Ų97.551%0.50553%0.528SS..PPolyproline II helixtrans-56.7152.2171.900000111I79 E305I79-G307 WeakPolarHBondContact O-CA 3.49Å; E305-G307 PolarHBondContact O-N 3.25Å
308F83.5Confident63.4Low42 Ų4291.8 Ų91.818%0.18450%0.501CS..EExtended strand (participates in β ladder)trans-112.1151.8179.971.6-87.5000110.9L25 I30 V38 I79 M80 K81 L310L25-F308 HydrophobicContact CD2-CE2 4.03Å; L25-F308 HydrophobicContact CD2-CZ 3.79Å; I30-F308 HydrophobicContact CD1-CD2 4.2Å; I30-F308 HydrophobicContact CD1-CE2 3.97Å; I30-F308 HydrophobicContact CG1-CE2 4.19Å; I30-F308 HydrophobicContact CG2-CZ 4.16Å; V38-F308 HydrophobicContact CG2-CE1 3.87Å; V38-F308 HydrophobicContact CG2-CZ 3.94Å; I79-F308 HydrophobicContact CD1-CD1 4.24Å; I79-F308 HydrophobicContact CD1-CE1 3.98Å; I79-F308 HydrophobicContact CG1-CD1 4.37Å; I79-F308 HydrophobicContact CG1-CE1 4.02Å; I79-F308 PolarHBondContact O-N 3.45Å; M80-F308 HydrophobicContact CB-CE1 4.26Å; M80-F308 HydrophobicContact CB-CE2 4.34Å; M80-F308 HydrophobicContact CB-CZ 3.94Å; M80-F308 HydrophobicContact CG-CE2 3.97Å; M80-F308 HydrophobicContact CG-CZ 4.02Å; K81-F308 PolarHBondContact N-O 3.5Å; F308-L310 HydrophobicContact CE2-CB 4.43Å
309R81.4Confident64.7Low204 Ų20489 Ų8977%0.7749%0.486SS*.EExtended strand (participates in β ladder)trans-89.4128.5175.4-75.4-177.9164.4163.5-4.7110K81K81-R309 CarbonylContact O-C 3.55Å; K81-R309 VanDerWaalsContact O-CA 3.3Å; K81-R309 WeakPolarHBondContact O-CA 3.25Å
310L84.9Confident65.9Low0 Ų086.7 Ų86.70%048%0.478CS..EExtended strand (participates in β ladder)trans-101.3136.8167.1-170.374.2000107.8L21 R24 L25 Q28 M80 K81 L82 F308L21-L310 HydrophobicContact CD2-CD2 3.87Å; R24-L310 HydrophobicContact CB-CD1 4.34Å; R24-L310 HydrophobicContact CB-CD2 3.96Å; R24-L310 HydrophobicContact CB-CG 4.45Å; L25-L310 HydrophobicContact CD2-CD1 4.19Å; L25-L310 HydrophobicContact CD2-CD2 4.49Å; Q28-L310 HydrophobicContact CG-CD1 4.3Å; M80-L310 HydrophobicContact CE-CD2 4.44Å; M80-L310 HydrophobicContact CG-CB 3.64Å; M80-L310 HydrophobicContact CG-CD2 4.37Å; M80-L310 HydrophobicContact SD-CB 3.74Å; M80-L310 HydrophobicContact SD-CD2 3.3Å; M80-L310 WeakPolarHBondContact SD-CD2 3.43Å; M80-L310 HydrophobicContact SD-CG 4.08Å; K81-L310 PolarHBondContact O-N 3.04Å; L82-L310 HydrophobicContact CD2-CB 4.01Å; L82-L310 HydrophobicContact CD2-CD2 4.22Å; L82-L310 HydrophobicContact CD2-CG 4.31Å; L82-L310 WeakPolarHBondContact CD2-O 3.44Å; F308-L310 HydrophobicContact CE2-CB 4.43Å
311N80.6Confident67.4Low56 Ų5683.9 Ų83.930%0.29947%0.468SS..  trans-118.1133.6175.5-76.4-10.8000109.2Q28 F313Q28-N311 PolarHBondContact NE2-O 2.9Å; N311-F313 VanDerWaalsContact C-N 3.31Å
312L81.9Confident68.9Low2 Ų281.9 Ų81.91%0.0146%0.457CS..SBendtrans-84.1-8.2176.5-96.577.4000113.1I20 R24 L82 S86 K89 L90 L93I20-L312 HydrophobicContact CG2-CD2 4.12Å; R24-L312 HydrophobicContact CG-CG 4.24Å; R24-L312 PolarHBondContact NE-O 3.42Å; R24-L312 PolarHBondContact NH2-O 3.42Å; L82-L312 HydrophobicContact CD2-CD1 3.37Å; S86-L312 PolarHBondContact OG-N 3.15Å; K89-L312 HydrophobicContact CB-CB 4.48Å; K89-L312 HydrophobicContact CB-CD2 4.16Å; K89-L312 HydrophobicContact CG-CB 4.44Å; K89-L312 HydrophobicContact CG-CD2 4.13Å; L90-L312 HydrophobicContact CB-CD2 3.73Å; L90-L312 HydrophobicContact CD1-CD2 4.3Å; L93-L312 HydrophobicContact CD1-CD2 4.33Å
313F77.6Confident70.3Confident17 Ų1779.1 Ų79.18%0.07544%0.442CS..  trans-104151.7178.2-59.3-77.3000110.7A85 K89 N311 E318 E319 A322A85-F313 HydrophobicContact CB-CE2 3.87Å; K89-F313 HydrophobicContact CB-CE1 4.45Å; K89-F313 HydrophobicContact CB-CE2 4.21Å; K89-F313 HydrophobicContact CB-CZ 3.73Å; K89-F313 HydrophobicContact CD-CE1 4.37Å; K89-F313 HydrophobicContact CD-CZ 4.36Å; K89-F313 HydrophobicContact CG-CE1 4.18Å; K89-F313 HydrophobicContact CG-CZ 3.96Å; N311-F313 VanDerWaalsContact C-N 3.31Å; F313-E318 HydrophobicContact CB-CB 4.45Å; F313-E318 HydrophobicContact CD1-CB 4.21Å; F313-E318 HydrophobicContact CD1-CG 3.86Å; F313-E319 HydrophobicContact CB-CB 4.21Å; F313-E319 HydrophobicContact CD1-CB 4.39Å; F313-E319 HydrophobicContact CD2-CB 3.71Å; F313-E319 HydrophobicContact CD2-CG 3.72Å; F313-E319 HydrophobicContact CE2-CB 4.16Å; F313-E319 HydrophobicContact CE2-CG 3.84Å; F313-E319 HydrophobicContact CG-CB 3.84Å; F313-E319 HydrophobicContact CG-CG 4.37Å; F313-A322 HydrophobicContact CE1-CB 3.51Å; F313-A322 HydrophobicContact CZ-CB 3.71Å
314T73.3Confident71.5Confident110 Ų11084.1 Ų84.168%0.67546%0.458SS*.SBendtrans-86-29.7176.356.50000112.3E318T314-E318 PolarHBondContact N-OE2 2.68Å; T314-E318 PolarHBondContact OG1-OE2 2.93Å
315T70.9Confident72.8Confident72 Ų7282.6 Ų82.644%0.44245%0.446SS..SBendtrans-139.7156.3178.863.30000111.3E317 E318 E319T315-E317 VanDerWaalsContact C-N 3.27Å; T315-E317 PolarHBondContact O-N 3.08Å; T315-E318 WeakPolarHBondContact O-CB 3.42Å; T315-E318 PolarHBondContact O-N 3.25Å; T315-E318 PolarHBondContact OG1-N 3.22Å; T315-E319 PolarHBondContact O-N 3.5Å
316D70.2Confident73.6Confident122 Ų12280.5 Ų80.565%0.65243%0.434SS*.Hα-helixtrans-64.5-32.9177.2-61.1-21.6000111.7E318 E319 E320D316-E318 VanDerWaalsContact C-N 3.32Å; D316-E318 PolarHBondContact O-N 2.91Å; D316-E319 WeakPolarHBondContact O-CB 3.4Å; D316-E319 PolarHBondContact O-N 3.08Å; D316-E319 VanDerWaalsContact O-N 3.16Å; D316-E320 PolarHBondContact O-N 3.44Å
317E66.3Low73.8Confident140 Ų14077.1 Ų77.165%0.65441%0.412SS*.Hα-helixtrans-62.1-37.6173.9-63.9179.2179.300112.4T315 E319 Q321T315-E317 VanDerWaalsContact C-N 3.27Å; T315-E317 PolarHBondContact O-N 3.08Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-Q321 WeakPolarHBondContact O-CB 3.39Å; E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.21Å
318E74.5Confident73.3Confident66 Ų6683 Ų8331%0.30843%0.427SS..Hα-helixtrans-66.2-36.6176.1-166.3-168.6171.500110.7F313 T314 T315 D316 A322F313-E318 HydrophobicContact CB-CB 4.45Å; F313-E318 HydrophobicContact CD1-CB 4.21Å; F313-E318 HydrophobicContact CD1-CG 3.86Å; T314-E318 PolarHBondContact N-OE2 2.68Å; T314-E318 PolarHBondContact OG1-OE2 2.93Å; T315-E318 WeakPolarHBondContact O-CB 3.42Å; T315-E318 PolarHBondContact O-N 3.25Å; T315-E318 PolarHBondContact OG1-N 3.22Å; D316-E318 VanDerWaalsContact C-N 3.32Å; D316-E318 PolarHBondContact O-N 2.91Å; E318-A322 VanDerWaalsContact O-CB 3.32Å; E318-A322 WeakPolarHBondContact O-CB 3.35Å; E318-A322 PolarHBondContact O-N 3.11Å
319E75.2Confident72.3Confident40 Ų4088.6 Ų88.619%0.18745%0.453CS..Hα-helixtrans-66.3-47.7176.6-174.8168.6163.200111.6N83 A85 F313 T315 D316 E317 Q321 A322 A323N83-E319 PolarHBondContact ND2-OE1 3.43Å; N83-E319 PolarHBondContact ND2-OE2 3.31Å; A85-E319 HydrophobicContact CB-CG 3.54Å; A85-E319 WeakPolarHBondContact CB-OE1 3.27Å; F313-E319 HydrophobicContact CB-CB 4.21Å; F313-E319 HydrophobicContact CD1-CB 4.39Å; F313-E319 HydrophobicContact CD2-CB 3.71Å; F313-E319 HydrophobicContact CD2-CG 3.72Å; F313-E319 HydrophobicContact CE2-CB 4.16Å; F313-E319 HydrophobicContact CE2-CG 3.84Å; F313-E319 HydrophobicContact CG-CB 3.84Å; F313-E319 HydrophobicContact CG-CG 4.37Å; T315-E319 PolarHBondContact O-N 3.5Å; D316-E319 WeakPolarHBondContact O-CB 3.4Å; D316-E319 PolarHBondContact O-N 3.08Å; D316-E319 VanDerWaalsContact O-N 3.16Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E319-Q321 PolarHBondContact O-N 3.47Å; E319-A322 PolarHBondContact O-N 2.87Å; E319-A323 PolarHBondContact O-N 3.15Å
320E67.4Low71.4Confident136 Ų13679.7 Ų79.764%0.63642%0.421SS*.Hα-helixtrans-62.1-44177.3-72.2-175.8177.800112.2D316 A322 A323 L324D316-E320 PolarHBondContact O-N 3.44Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.24Å; E320-A323 PolarHBondContact O-N 3.05Å; E320-L324 WeakPolarHBondContact O-CG 3.49Å; E320-L324 PolarHBondContact O-N 2.79Å
321Q71.4Confident69.9Low126 Ų12683.3 Ų83.359%0.58945%0.446SS*.Hα-helixtrans-64.1-36.9176.4-72.5-179.916.600112.3E317 E319 A323 L324 T325E317-Q321 WeakPolarHBondContact O-CB 3.39Å; E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.21Å; E319-Q321 PolarHBondContact O-N 3.47Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; Q321-L324 PolarHBondContact O-N 3.14Å; Q321-T325 WeakPolarHBondContact O-CB 3.35Å; Q321-T325 WeakPolarHBondContact O-CG2 3.36Å; Q321-T325 PolarHBondContact O-N 3.28Å; Q321-T325 VanDerWaalsContact O-N 3.09Å; Q321-T325 PolarHBondContact O-OG1 2.95Å
322A72.4Confident68.8Low27 Ų2782.2 Ų82.222%0.22344%0.438CS..Hα-helixtrans-65.9-37.5175.800000111.8F313 E318 E319 E320 T325 R326F313-A322 HydrophobicContact CE1-CB 3.51Å; F313-A322 HydrophobicContact CZ-CB 3.71Å; E318-A322 VanDerWaalsContact O-CB 3.32Å; E318-A322 WeakPolarHBondContact O-CB 3.35Å; E318-A322 PolarHBondContact O-N 3.11Å; E319-A322 PolarHBondContact O-N 2.87Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.24Å; A322-T325 PolarHBondContact O-OG1 3.34Å; A322-R326 PolarHBondContact O-N 3Å
323A68.1Low67.1Low67 Ų6790 Ų9055%0.55447%0.474SS*.Hα-helixtrans-65.1-44.4174.800000112E319 E320 Q321 T325 R326E319-A323 PolarHBondContact O-N 3.15Å; E320-A323 PolarHBondContact O-N 3.05Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; A323-T325 VanDerWaalsContact C-N 3.34Å; A323-T325 PolarHBondContact O-N 3.18Å; A323-R326 PolarHBondContact O-N 3.32Å
324L68.9Low65.4Low150 Ų15091.9 Ų91.979%0.78549%0.487SS*.Hα-helixtrans-67.6-30.2-179.8-71.1169.7000114E320 Q321E320-L324 WeakPolarHBondContact O-CG 3.49Å; E320-L324 PolarHBondContact O-N 2.79Å; Q321-L324 PolarHBondContact O-N 3.14Å
325T69.1Low63.7Low104 Ų10491.6 Ų91.664%0.63848%0.481SS*.THydrogen-bonded Turntrans-89.7-3.8-177.7520000113.5Q321 A322 A323Q321-T325 WeakPolarHBondContact O-CB 3.35Å; Q321-T325 WeakPolarHBondContact O-CG2 3.36Å; Q321-T325 PolarHBondContact O-N 3.28Å; Q321-T325 VanDerWaalsContact O-N 3.09Å; Q321-T325 PolarHBondContact O-OG1 2.95Å; A322-T325 PolarHBondContact O-OG1 3.34Å; A323-T325 VanDerWaalsContact C-N 3.34Å; A323-T325 PolarHBondContact O-N 3.18Å
326R69.6Low61.8Low41 Ų4194.8 Ų94.816%0.15550%0.495CS..SBendtrans-79.1129.5-178.6-163.1176.6-166.8-157.57.9111D88 D92 A322 A323 E328 L330D88-R326 VanDerWaalsContact CG-CZ 3.41Å; D88-R326 IonicContact OD1-CZ 3.72Å; D88-R326 IonicContact OD1-NH1 2.69Å; D88-R326 PolarHBondContact OD1-NH1 3.16Å; D88-R326 IonicContact OD1-NH2 3.3Å; D88-R326 PolarHBondContact OD1-NH2 3.3Å; D88-R326 IonicContact OD2-CZ 3.36Å; D88-R326 IonicContact OD2-NH1 2.99Å; D88-R326 PolarHBondContact OD2-NH1 3.3Å; D92-R326 IonicContact OD1-NH2 2.79Å; D92-R326 PolarHBondContact OD1-NH2 2.83Å; D92-R326 IonicContact OD2-NE 3.55Å; A322-R326 PolarHBondContact O-N 3Å; A323-R326 PolarHBondContact O-N 3.32Å; R326-E328 PolarHBondContact O-N 2.89Å; R326-L330 PolarHBondContact NE-O 2.71Å; R326-L330 PolarHBondContact NH1-O 3.46Å; R326-L330 PolarHBondContact NH2-O 2.81Å
327P70.3Confident60.2Low49 Ų4991.7 Ų91.732%0.31848%0.478SS..  trans-59.4135174-21.531.8000111.7E329 L330 S331P327-E329 PolarHBondContact O-N 3.46Å; P327-L330 HydrophobicContact CB-CD1 4.25Å; P327-L330 HydrophobicContact CB-CG 4.27Å; P327-L330 HydrophobicContact CG-CD1 3.94Å; P327-L330 HydrophobicContact CG-CG 4.49Å; P327-L330 WeakPolarHBondContact O-CA 3.32Å; P327-L330 PolarHBondContact O-N 3.01Å; P327-S331 PolarHBondContact O-N 2.9Å
328E61.9Low58.5Low173 Ų17391.2 Ų91.281%0.80848%0.475SS*.G310 helixtrans-56.7-34.2178.4-70.4-177.5172.100112.6R326 L330 S331R326-E328 PolarHBondContact O-N 2.89Å; E328-L330 PolarHBondContact O-N 2.8Å; E328-L330 VanDerWaalsContact O-N 3.11Å; E328-S331 WeakPolarHBondContact O-CB 3.46Å; E328-S331 PolarHBondContact O-N 3.2Å; E328-S331 PolarHBondContact O-OG 2.93Å
329E62.9Low56.8Low158 Ų15892.7 Ų92.774%0.73850%0.499SS*.G310 helixtrans-62-17.7175.5-65.9169.8-170.600113.7P327P327-E329 PolarHBondContact O-N 3.46Å
330L61.2Low55Low18 Ų1896.8 Ų96.89%0.09453%0.527CS..G310 helixtrans-105.73.1176.3-56.1177.4000112L169 I171 R326 P327 E328 Y332L169-L330 HydrophobicContact CD2-CD2 3.76Å; I171-L330 HydrophobicContact CD1-CD1 3.89Å; I171-L330 HydrophobicContact CG1-CD1 3.68Å; R326-L330 PolarHBondContact NE-O 2.71Å; R326-L330 PolarHBondContact NH1-O 3.46Å; R326-L330 PolarHBondContact NH2-O 2.81Å; P327-L330 HydrophobicContact CB-CD1 4.25Å; P327-L330 HydrophobicContact CB-CG 4.27Å; P327-L330 HydrophobicContact CG-CD1 3.94Å; P327-L330 HydrophobicContact CG-CG 4.49Å; P327-L330 WeakPolarHBondContact O-CA 3.32Å; P327-L330 PolarHBondContact O-N 3.01Å; E328-L330 PolarHBondContact O-N 2.8Å; E328-L330 VanDerWaalsContact O-N 3.11Å; L330-Y332 HydrophobicContact CB-CE2 4.46Å; L330-Y332 WeakPolarHBondContact O-CD2 3.23Å; L330-Y332 WeakPolarHBondContact O-CE2 3.36Å; L330-Y332 PolarHBondContact O-N 2.94Å
331S55.1Low53.8Low75 Ų7597.3 Ų97.352%0.52453%0.529SS..  trans-77103169.6730000108.7P327 E328 E333P327-S331 PolarHBondContact O-N 2.9Å; E328-S331 WeakPolarHBondContact O-CB 3.46Å; E328-S331 PolarHBondContact O-N 3.2Å; E328-S331 PolarHBondContact O-OG 2.93Å; S331-E333 PolarHBondContact O-N 3.41Å
332Y56.9Low52.5Low33 Ų3396.3 Ų96.313%0.12953%0.528CS..  trans-93.898.6178.5-56.9-75.7000108.2K65 L330 V334K65-Y332 HydrophobicContact CB-CD1 3.95Å; K65-Y332 HydrophobicContact CB-CE1 4.25Å; K65-Y332 HydrophobicContact CG-CD1 4.07Å; L330-Y332 HydrophobicContact CB-CE2 4.46Å; L330-Y332 WeakPolarHBondContact O-CD2 3.23Å; L330-Y332 WeakPolarHBondContact O-CE2 3.36Å; L330-Y332 PolarHBondContact O-N 2.94Å; Y332-V334 PolarHBondContact O-N 3.43Å; Y332-V334 VanDerWaalsContact O-N 3.12Å
333E44.8Very low51.2Low165 Ų165103.4 Ų103.477%0.77156%0.556SS**  trans-59.6118.4165.6-74.2-171.7165.800108.9K65 S331 I335K65-E333 VanDerWaalsContact CE-O 3.31Å; K65-E333 WeakPolarHBondContact CE-O 3.46Å; K65-E333 PolarHBondContact NZ-O 2.8Å; S331-E333 PolarHBondContact O-N 3.41Å; E333-I335 PolarHBondContact O-N 3.09Å
334V42.1Very low50Low57 Ų57108.1 Ų108.135%0.34557%0.567SS.*  trans-65.8111.7178.1179.90000107.6Y332 N336Y332-V334 PolarHBondContact O-N 3.43Å; Y332-V334 VanDerWaalsContact O-N 3.12Å; V334-N336 PolarHBondContact O-N 3.45Å
335I38.5Very low48.8Very low105 Ų105108.6 Ų108.654%0.53856%0.558SS.*  trans-76.8107.1169.5-58.4173.9000105.8E333 I337E333-I335 PolarHBondContact O-N 3.09Å; I335-I337 VanDerWaalsContact C-N 3.31Å; I335-I337 HydrophobicContact CG2-CG1 4.05Å; I335-I337 PolarHBondContact O-N 3.46Å
336N30.1Very low48Very low138 Ų138107.2 Ų107.274%0.73855%0.553SS**  trans-64.792.3169.8-95.7-25.2000108.9V334 Q338V334-N336 PolarHBondContact O-N 3.45Å; N336-Q338 PolarHBondContact O-N 3.3Å; N336-Q338 VanDerWaalsContact O-N 3.08Å
337I37.8Very low47.1Very low58 Ų58112.1 Ų112.130%0.29758%0.577SS.*  trans-78.691.1170.9-58172.8000107I335 A339I335-I337 VanDerWaalsContact C-N 3.31Å; I335-I337 HydrophobicContact CG2-CG1 4.05Å; I335-I337 PolarHBondContact O-N 3.46Å; I337-A339 PolarHBondContact O-N 3.15Å
338Q29.9Very low45.8Very low130 Ų130116.2 Ų116.261%0.60759%0.592SS**  trans-71.5103.2169.6-74.7-179.9-700108.9N336 T340N336-Q338 PolarHBondContact O-N 3.3Å; N336-Q338 VanDerWaalsContact O-N 3.08Å; Q338-T340 PolarHBondContact O-N 2.87Å; Q338-T340 VanDerWaalsContact O-N 3.11Å
339A38.6Very low44.9Very low97 Ų97112.6 Ų112.680%0.80258%0.578SS**THydrogen-bonded Turntrans-77.518.4-179.100000114.4I337I337-A339 PolarHBondContact O-N 3.15Å
340T38.6Very low44.3Very low125 Ų125107.9 Ų107.977%0.76757%0.566SS**THydrogen-bonded Turntrans-128.16.8-171.754.20000114.9Q338Q338-T340 PolarHBondContact O-N 2.87Å; Q338-T340 VanDerWaalsContact O-N 3.11Å
341Q42.3Very low44Very low148 Ų148116.3 Ų116.369%0.69260%0.597SS**  trans-13080.4175.1-77.6-176.2-6.100110.1
342D43.5Very low43.6Very low105 Ų105116.9 Ų116.956%0.56159%0.593SS**  trans-157.555.7158.5-104-10000108.5Q344 R345 S346D342-Q344 PolarHBondContact O-N 3.39Å; D342-R345 HydrophobicContact CB-CB 3.96Å; D342-R345 PolarHBondContact O-N 3.22Å; D342-R345 IonicContact OD2-NH1 2.64Å; D342-S346 PolarHBondContact O-N 3.45Å
343Q44.6Very low42.9Very low175 Ų175121.8 Ų121.882%0.81862%0.619SS**Hα-helixtrans-67.1-28.8178.9-144.7161.26.100111.4S346Q343-S346 WeakPolarHBondContact O-CB 3.37Å
344Q44.3Very low43Very low167 Ų167116.2 Ų116.278%0.7861%0.606SS**Hα-helixtrans-76.8-29.1175.9-71.2178.4-24.700113.1D342 S346 E347D342-Q344 PolarHBondContact O-N 3.39Å; Q344-S346 VanDerWaalsContact C-N 3.32Å; Q344-E347 PolarHBondContact O-N 2.98Å
345R43.6Very low43.2Very low160 Ų160121 Ų12160%0.60462%0.624SS**Hα-helixtrans-77.7-21.4176.9-137.7176.2-168.51721.5112.8D342 E347 L349D342-R345 HydrophobicContact CB-CB 3.96Å; D342-R345 PolarHBondContact O-N 3.22Å; D342-R345 IonicContact OD2-NH1 2.64Å; R345-E347 VanDerWaalsContact C-N 3.31Å; R345-L349 PolarHBondContact O-N 3.01Å
346S50.5Low43.2Very low74 Ų74124.4 Ų124.452%0.51764%0.635SS.*Hα-helixtrans-66.6-30.6171.8-1750000112.6D342 Q343 Q344 A350D342-S346 PolarHBondContact O-N 3.45Å; Q343-S346 WeakPolarHBondContact O-CB 3.37Å; Q344-S346 VanDerWaalsContact C-N 3.32Å; S346-A350 WeakPolarHBondContact O-CB 3.26Å; S346-A350 PolarHBondContact O-N 2.74Å
347E51.1Low43.5Very low144 Ų144125.3 Ų125.367%0.67364%0.635SS**Hα-helixtrans-77.5-39.9-178.5-70.7179.2170.300111.9Q344 R345 A350 R351Q344-E347 PolarHBondContact O-N 2.98Å; R345-E347 VanDerWaalsContact C-N 3.31Å; E347-A350 PolarHBondContact O-N 2.84Å; E347-R351 WeakPolarHBondContact O-CB 3.3Å; E347-R351 PolarHBondContact O-N 3.11Å
348E42.9Very low43.5Very low136 Ų136130 Ų13064%0.63666%0.66SS**Hα-helixtrans-66.4-38.7173.2-74.2-173.7154.800111.9R351 I352E348-R351 PolarHBondContact O-N 3.34Å; E348-I352 WeakPolarHBondContact O-CD1 3.41Å; E348-I352 VanDerWaalsContact O-CG1 3.25Å; E348-I352 WeakPolarHBondContact O-CG1 3.21Å; E348-I352 PolarHBondContact O-N 2.89Å
349L43.3Very low43.7Very low96 Ų96132 Ų13250%0.50367%0.671SS.*Hα-helixtrans-70.2-36.3174.4-79.6165.1000112.7R345 R351 I352 M353R345-L349 PolarHBondContact O-N 3.01Å; L349-R351 VanDerWaalsContact C-N 3.3Å; L349-I352 PolarHBondContact O-N 3.18Å; L349-M353 VanDerWaalsContact O-CB 3.28Å; L349-M353 WeakPolarHBondContact O-CB 3.37Å; L349-M353 WeakPolarHBondContact O-CG 3.38Å; L349-M353 PolarHBondContact O-N 2.95Å
350A50.7Low43.4Very low60 Ų60136.3 Ų136.350%0.49667%0.674SS.*Hα-helixtrans-65.4-35.4172.700000111.8S346 E347 G354S346-A350 WeakPolarHBondContact O-CB 3.26Å; S346-A350 PolarHBondContact O-N 2.74Å; E347-A350 PolarHBondContact O-N 2.84Å; A350-G354 PolarHBondContact O-N 3.44Å
351R54.2Low43.2Very low195 Ų195138.4 Ų138.474%0.73668%0.675SS**Hα-helixtrans-68.2-43174.9-159.8177.2-168.1174.83.9112.1E347 E348 L349 G354 E355E347-R351 WeakPolarHBondContact O-CB 3.3Å; E347-R351 PolarHBondContact O-N 3.11Å; E348-R351 PolarHBondContact O-N 3.34Å; L349-R351 VanDerWaalsContact C-N 3.3Å; R351-G354 PolarHBondContact O-N 2.83Å; R351-E355 PolarHBondContact O-N 2.98Å
352I48Very low42.8Very low87 Ų87136.8 Ų136.845%0.44668%0.678SS.*Hα-helixtrans-69.4-37.1176.2-66.6165000111E348 L349 E355 F356E348-I352 WeakPolarHBondContact O-CD1 3.41Å; E348-I352 VanDerWaalsContact O-CG1 3.25Å; E348-I352 WeakPolarHBondContact O-CG1 3.21Å; E348-I352 PolarHBondContact O-N 2.89Å; L349-I352 PolarHBondContact O-N 3.18Å; I352-E355 PolarHBondContact O-N 3.21Å; I352-F356 HydrophobicContact CG2-CD2 4.39Å; I352-F356 HydrophobicContact CG2-CE2 4.41Å; I352-F356 WeakPolarHBondContact O-CD2 3.37Å; I352-F356 PolarHBondContact O-N 2.85Å
353M41.9Very low42.2Very low136 Ų136143.8 Ų143.867%0.6770%0.696SS**Hα-helixtrans-67.9-33.4174.6-74.4-179.866.100112.5L349 E355 F356L349-M353 VanDerWaalsContact O-CB 3.28Å; L349-M353 WeakPolarHBondContact O-CB 3.37Å; L349-M353 WeakPolarHBondContact O-CG 3.38Å; L349-M353 PolarHBondContact O-N 2.95Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 3.36Å; M353-F356 PolarHBondContact O-N 3.01Å
354G46.6Very low41.7Very low48 Ų48143 Ų14350%0.49570%0.697SS.*Hα-helixtrans-68.2-22.3172.700000114.3A350 R351A350-G354 PolarHBondContact O-N 3.44Å; R351-G354 PolarHBondContact O-N 2.83Å
355E47Very low41.3Very low158 Ų158140.3 Ų140.374%0.73870%0.697SS**THydrogen-bonded Turntrans-85.7-9.9175.5-73.2-178.517700113.4R351 I352 M353R351-E355 PolarHBondContact O-N 2.98Å; I352-E355 PolarHBondContact O-N 3.21Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 3.36Å
356F36.8Very low40.9Very low175 Ų175138.7 Ų138.777%0.76871%0.705SS**SBendtrans-102.7-2.8176.2-87.4-82.2000114.2I352 M353 I358I352-F356 HydrophobicContact CG2-CD2 4.39Å; I352-F356 HydrophobicContact CG2-CE2 4.41Å; I352-F356 WeakPolarHBondContact O-CD2 3.37Å; I352-F356 PolarHBondContact O-N 2.85Å; M353-F356 PolarHBondContact O-N 3.01Å; F356-I358 PolarHBondContact O-N 2.86Å; F356-I358 VanDerWaalsContact O-N 3.09Å
357E36.5Very low40.4Very low157 Ų157139.1 Ų139.173%0.73471%0.707SS**  trans-75.894.8167.6-77.9-175171.400109.8M359E357-M359 PolarHBondContact O-N 2.91Å
358I37.8Very low40.1Very low158 Ų158142 Ų14281%0.8172%0.718SS**  trans-59.7107.1159.7-63.3170000106.3F356 E360F356-I358 PolarHBondContact O-N 2.86Å; F356-I358 VanDerWaalsContact O-N 3.09Å; I358-E360 PolarHBondContact O-N 2.81Å
359M34.7Very low40.3Very low170 Ų170137.4 Ų137.484%0.83771%0.707SS**  trans-55.1103.3169.5-70.9175.968.800108.9E357 Q361E357-M359 PolarHBondContact O-N 2.91Å; M359-Q361 PolarHBondContact O-N 3.45Å
360E33Very low40.3Very low189 Ų189138.6 Ų138.688%0.88371%0.714SS**  trans-63.2104.3158.1-82.9-166.5149.500107.3I358I358-E360 PolarHBondContact O-N 2.81Å
361Q33.7Very low40.2Very low168 Ų168142.5 Ų142.579%0.78573%0.727SS**  trans-56.2131.9166.1-71.9-178.2-12.700109M359 R363M359-Q361 PolarHBondContact O-N 3.45Å; Q361-R363 PolarHBondContact O-N 2.99Å; Q361-R363 VanDerWaalsContact O-N 3.15Å
362P33.2Very low40Very low114 Ų114139.6 Ų139.674%0.7473%0.725SS**  trans-65.2119.1172.625.8-30.5000108.6L364P362-L364 PolarHBondContact O-N 2.74Å
363R32.8Very low40Very low252 Ų252141.8 Ų141.895%0.95174%0.737SS**  trans-64.6101.1168.3-74.6-175.6178.2177.21.1108.4Q361 S365Q361-R363 PolarHBondContact O-N 2.99Å; Q361-R363 VanDerWaalsContact O-N 3.15Å; R363-S365 PolarHBondContact O-N 2.91Å
364L33Very low40.5Very low158 Ų158138.7 Ų138.783%0.82773%0.733SS**  trans-50.7116165.5-80.4128.2000110.3P362 T366P362-L364 PolarHBondContact O-N 2.74Å; L364-T366 PolarHBondContact O-N 2.94Å
365S36Very low40.7Very low112 Ų112143.8 Ų143.878%0.78375%0.746SS**  trans-65.1112154.952.40000108.1R363 S367R363-S365 PolarHBondContact O-N 2.91Å; S365-S367 PolarHBondContact O-N 3.43Å
366T35.5Very low41Very low126 Ų126143.5 Ų143.577%0.77375%0.746SS**  trans-72.186.1175.941.90000110.8L364L364-T366 PolarHBondContact O-N 2.94Å
367S39.1Very low41.7Very low82 Ų82142.5 Ų142.557%0.57375%0.749SS**  trans-87.496.3159.8178.10000108.4S365 G369S365-S367 PolarHBondContact O-N 3.43Å; S367-G369 PolarHBondContact O-N 2.95Å
368K45.1Very low42.3Very low204 Ų204143.6 Ų143.689%0.88775%0.754SS**THydrogen-bonded Turntrans-74.632.6173.2-76.2-174.7169.8-176.40112.8
369G48Very low42.5Very low40 Ų40147.3 Ų147.341%0.41277%0.774SS.*THydrogen-bonded Turntrans-114-28.1-17200000115.5S367S367-G369 PolarHBondContact O-N 2.95Å
370D43.4Very low42.9Very low121 Ų121146.2 Ų146.265%0.64777%0.771SS**SBendtrans-100.2-9.6-165.2-65.8-33.7000114.4L372D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.44Å
371D48.7Very low43.4Very low143 Ų143143.9 Ų143.977%0.76577%0.765SS**THydrogen-bonded Turntrans-82.8-4.1-179.3-123.2-0.6000113.7
372L48.8Very low43.9Very low133 Ų133142.6 Ų142.670%0.69676%0.764SS**THydrogen-bonded Turntrans-94.4-19.8176.1-87.2154.8000113D370D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.44Å
373L49.3Very low44.5Very low133 Ų133144.2 Ų144.270%0.69677%0.765SS**THydrogen-bonded Turntrans-80.9-28.1176.8-106.987000112.6M375 M376L373-M375 VanDerWaalsContact C-N 3.26Å; L373-M375 PolarHBondContact O-N 2.92Å; L373-M376 PolarHBondContact O-N 3.04Å
374A52.5Low45.3Very low71 Ų71137.5 Ų137.559%0.58775%0.754SS**THydrogen-bonded Turntrans-77.1-9.6-179.700000113.8
375M50Low46.1Very low155 Ų155136.1 Ų136.176%0.76475%0.749SS**THydrogen-bonded Turntrans-93.61.9174.8-77.2-168.7149.800113.8L373L373-M375 VanDerWaalsContact C-N 3.26Å; L373-M375 PolarHBondContact O-N 2.92Å
376M52.3Low46.8Very low153 Ų153137.9 Ų137.975%0.75475%0.746SS**SBendtrans-101.6-7.9176.4-73.7-173.264.500114.2L373L373-M376 PolarHBondContact O-N 3.04Å
377D51.4Low47.7Very low153 Ų153138.8 Ų138.882%0.81874%0.744SS**SBendtrans-96.15.6176.8-83-9.3000113.3
378E50.1Low48.4Very low180 Ų180143.5 Ų143.584%0.84176%0.759SS**  trans-107.670.8163-74.3-16916400110.1
379L41.3Very low48.7Very low236 Ų236138 Ų138100%1.23675%0.747SS**  trans-148.40156.9-102.1170.6000111.2

Retrieved 379 of 379 residues in 564.8 ms (Link to these results)

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