A0A087XVY8_POEFO Loading...

Folliculin

AlphaFold DB , UniProt , Accession A0A087XVY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 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
1M56.6Low88.2Confident53 Ų5324.3 Ų24.326%0.26112%0.123SC..  01110173.4-147.6-146.400108A3 H26 L160 Y167 L250 S253M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 HydrophobicContact CE-CB 3.77Å; M1-A3 HydrophobicContact CG-CB 3.75Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-A3 HydrophobicContact SD-CB 3.55Å; M1-A3 VanDerWaalsContact SD-CB 3.55Å; M1-H26 PolarHBondContact N-NE2 2.99Å; M1-H26 VanDerWaalsContact N-NE2 3.15Å; M1-H26 PolarHBondContact O-CE1 2.98Å; M1-H26 VanDerWaalsContact O-CE1 3.25Å; M1-L160 HydrophobicContact CE-CD2 4.14Å; M1-Y167 HydrophobicContact CB-CE1 4.48Å; M1-Y167 HydrophobicContact CE-CD1 4.38Å; M1-Y167 HydrophobicContact CE-CE1 3.28Å; M1-Y167 WeakPolarHBondContact CE-OH 3.43Å; M1-Y167 HydrophobicContact CG-CE1 3.61Å; M1-Y167 HydrophobicContact SD-CE1 4.02Å; M1-L250 HydrophobicContact SD-CD2 4.41Å; M1-S253 WeakPolarHBondContact CE-OG 3.34Å; M1-S253 PolarHBondContact SD-OG 3.16Å
2N74.6Confident87.9Confident125 Ų12529.7 Ų29.767%0.66815%0.148SC*.  trans-8482.5172.6-75.3-13.7000109.2H26N2-H26 PolarHBondContact OD1-CE1 2.92Å; N2-H26 PolarHBondContact OD1-ND1 3.38Å
3A87.1Confident87.6Confident6 Ų634.3 Ų34.35%0.0517%0.173CC..EExtended strand (participates in β ladder)trans-121.5152.8174.600000110.6M1 L160 V161 A162 L250M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 HydrophobicContact CE-CB 3.77Å; M1-A3 HydrophobicContact CG-CB 3.75Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-A3 HydrophobicContact SD-CB 3.55Å; M1-A3 VanDerWaalsContact SD-CB 3.55Å; A3-L160 HydrophobicContact CB-CD2 4.28Å; A3-V161 CarbonylContact C-O 3.53Å; A3-V161 VanDerWaalsContact CA-O 3.25Å; A3-V161 WeakPolarHBondContact CA-O 3.45Å; A3-A162 HydrophobicContact CB-CB 4.2Å; A3-L250 HydrophobicContact CB-CD2 3.89Å
4L92.8Very high87.6Confident12 Ų1236 Ų366%0.06318%0.179CC..EExtended strand (participates in β ladder)trans-124.9129.9179.1-177.1156.7000109.1A6 C21 E23 P98 V107 L160 V161L4-A6 HydrophobicContact CD2-CB 3.94Å; L4-C21 HydrophobicContact CD2-CB 4.13Å; L4-E23 HydrophobicContact CD1-CB 4.45Å; L4-P98 HydrophobicContact CD1-CG 3.99Å; L4-V107 HydrophobicContact CD1-CG2 3.67Å; L4-V107 HydrophobicContact CD2-CG1 4.48Å; L4-V107 HydrophobicContact CD2-CG2 3.44Å; L4-V107 VanDerWaalsContact CD2-CG2 3.44Å; L4-V107 HydrophobicContact CG-CG2 4.19Å; L4-L160 CarbonylContact O-C 3.42Å; L4-L160 WeakPolarHBondContact O-CA 3.42Å; L4-V161 PolarHBondContact N-O 3.23Å; L4-V161 PolarHBondContact O-N 3.37Å
5V96.2Very high87.7Confident0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-104.1132.4175.3-166.40000109C21 T22 I158 V159 L160 F246 L249 L250V5-C21 CarbonylContact O-C 3.48Å; V5-C21 WeakPolarHBondContact O-CA 3.47Å; V5-T22 PolarHBondContact N-O 2.98Å; V5-T22 PolarHBondContact O-N 2.9Å; V5-I158 HydrophobicContact CG1-CG2 3.9Å; V5-V159 CarbonylContact C-O 3.51Å; V5-V159 WeakPolarHBondContact CA-O 3.44Å; V5-L160 HydrophobicContact CB-CD1 4.29Å; V5-L160 HydrophobicContact CG1-CD1 4.2Å; V5-L160 HydrophobicContact CG2-CD1 3.42Å; V5-L160 VanDerWaalsContact CG2-CD1 3.42Å; V5-L160 HydrophobicContact CG2-CG 4.11Å; V5-F246 HydrophobicContact CB-CB 4.31Å; V5-F246 HydrophobicContact CB-CD2 4.11Å; V5-F246 HydrophobicContact CB-CG 4.1Å; V5-F246 HydrophobicContact CG1-CB 4.44Å; V5-F246 HydrophobicContact CG1-CD1 3.79Å; V5-F246 HydrophobicContact CG1-CD2 3.88Å; V5-F246 HydrophobicContact CG1-CE1 3.9Å; V5-F246 HydrophobicContact CG1-CE2 3.99Å; V5-F246 HydrophobicContact CG1-CG 3.78Å; V5-F246 HydrophobicContact CG1-CZ 4Å; V5-L249 HydrophobicContact CG2-CD2 4.5Å; V5-L250 HydrophobicContact CG2-CD1 4.04Å; V5-L250 HydrophobicContact CG2-CD2 3.6Å; V5-L250 HydrophobicContact CG2-CG 3.66Å
6A96.4Very high87.9Confident0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-137.6139.6176.700000113.1L4 T18 F20 C21 V107 I158 V159L4-A6 HydrophobicContact CD2-CB 3.94Å; A6-T18 HydrophobicContact CB-CG2 4.07Å; A6-F20 CarbonylContact C-O 3.58Å; A6-F20 WeakPolarHBondContact CA-O 3.33Å; A6-C21 HydrophobicContact CB-CB 4Å; A6-V107 HydrophobicContact CB-CG1 4.02Å; A6-I158 CarbonylContact O-C 3.54Å; A6-I158 WeakPolarHBondContact O-CA 3.16Å; A6-V159 HydrophobicContact CB-CG2 3.81Å; A6-V159 PolarHBondContact N-O 3.28Å; A6-V159 WeakPolarHBondContact O-CG2 3.36Å; A6-V159 PolarHBondContact O-N 3.11Å
7L97.1Very high88.2Confident0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-92.2125.4167.8-177.867.7000109.4L19 F20 F142 Y156 I158 L229 W239 L242 F246L7-L19 PolarHBondContact O-N 3.48Å; L7-F20 HydrophobicContact CB-CB 4.3Å; L7-F20 PolarHBondContact N-O 3.01Å; L7-F20 PolarHBondContact O-N 3.04Å; L7-F142 HydrophobicContact CD1-CE1 4.31Å; L7-F142 HydrophobicContact CD1-CZ 4.11Å; L7-Y156 HydrophobicContact CD1-CD1 4.47Å; L7-I158 HydrophobicContact CD1-CG1 3.72Å; L7-L229 HydrophobicContact CD2-CD2 3.69Å; L7-W239 HydrophobicContact CD2-CZ3 4.3Å; L7-L242 HydrophobicContact CD2-CD1 4.11Å; L7-F246 HydrophobicContact CB-CE2 4.36Å; L7-F246 HydrophobicContact CB-CZ 4.34Å
8C95.6Very high88.4Confident0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-118.2151.9179.8-57.40000110.1R17 C111 L115 Y156 S157C8-R17 CarbonylContact C-O 3.56Å; C8-R17 WeakPolarHBondContact CA-O 3.45Å; C8-C111 HydrophobicContact CB-CB 4.3Å; C8-C111 VanDerWaalsContact SG-CB 3.55Å; C8-L115 HydrophobicContact CB-CD1 3.82Å; C8-Y156 CarbonylContact O-C 3.46Å; C8-Y156 WeakPolarHBondContact O-CA 3.39Å; C8-S157 PolarHBondContact N-O 2.91Å; C8-S157 PolarHBondContact O-N 3.27Å
9H93.6Very high88.7Confident4 Ų433.4 Ų33.42%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-137.6153.717286.9-66000111.4C11 P16 R17 L19 G70 C71 L115 W155 Y156H9-C11 WeakPolarHBondContact NE2-CB 3.34Å; H9-P16 CarbonylContact O-C 3.44Å; H9-P16 WeakPolarHBondContact O-CA 3.39Å; H9-R17 PolarHBondContact N-O 3.31Å; H9-R17 PolarHBondContact ND1-O 3.45Å; H9-R17 PolarHBondContact O-N 3.26Å; H9-L19 HydrophobicContact CB-CD1 3.77Å; H9-L19 HydrophobicContact CB-CG 4.29Å; H9-L19 VanDerWaalsContact ND1-CD2 3.35Å; H9-L19 WeakPolarHBondContact ND1-CD2 3.45Å; H9-L19 WeakPolarHBondContact ND1-CG 3.45Å; H9-G70 PolarHBondContact CE1-O 3.3Å; H9-G70 PolarHBondContact NE2-O 3.48Å; H9-C71 PolarHBondContact CE1-SG 2.95Å; H9-C71 PolarHBondContact NE2-SG 3.13Å; H9-L115 VanDerWaalsContact C-CD1 3.44Å; H9-L115 WeakPolarHBondContact O-CD1 3.39Å; H9-W155 WeakPolarHBondContact CA-O 3.47Å; H9-Y156 HydrophobicContact CB-CD1 3.49Å; H9-Y156 VanDerWaalsContact CB-CD1 3.49Å; H9-Y156 HydrophobicContact CB-CE1 3.42Å; H9-Y156 VanDerWaalsContact CB-CE1 3.42Å; H9-Y156 HydrophobicContact CB-CG 4.24Å
10F91.3Very high89Confident66 Ų6631.7 Ų31.729%0.28916%0.159SC..EExtended strand (participates in β ladder)trans-95.7111.2171.8-172-90.6000109.8P16 L115 W155F10-P16 HydrophobicContact CD2-CG 3.98Å; F10-P16 HydrophobicContact CE2-CG 4.2Å; F10-L115 HydrophobicContact CB-CD1 4.42Å; F10-W155 HydrophobicContact CB-CB 3.91Å; F10-W155 PolarHBondContact N-O 3.16Å
11C89.3Confident89.3Confident1 Ų130.3 Ų30.31%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-90.2130.1172.7-168.90000110.1H9 L13 H14 G15 C71H9-C11 WeakPolarHBondContact NE2-CB 3.34Å; C11-L13 PolarHBondContact O-N 3.06Å; C11-H14 HydrophobicContact CB-CB 4.01Å; C11-H14 PolarHBondContact O-N 3.49Å; C11-G15 WeakPolarHBondContact CB-O 3.49Å; C11-G15 PolarHBondContact N-O 3.16Å; C11-G15 VanDerWaalsContact O-CA 3.23Å; C11-G15 WeakPolarHBondContact O-CA 3.47Å; C11-G15 PolarHBondContact O-N 3.1Å; C11-C71 VanDerWaalsContact CB-SG 3.59Å
12E83.8Confident91.1Very high89 Ų8927.8 Ų27.842%0.41614%0.14SC..THydrogen-bonded Turntrans-64-25.1175.1-63.4-177.2-18000112.9
13L85.1Confident92Very high90 Ų9023 Ų2347%0.47111%0.113SC..THydrogen-bonded Turntrans-88.8-42178.2-60.5176.8000112.8C11 A225C11-L13 PolarHBondContact O-N 3.06Å; L13-A225 HydrophobicContact CD1-CB 4.09Å
14H86.6Confident92.2Very high58 Ų5823.2 Ų23.227%0.26912%0.116SC..THydrogen-bonded Turntrans-112.6-0.3-168.6-56.5121.7000114.8C11 R17 C68 C71C11-H14 HydrophobicContact CB-CB 4.01Å; C11-H14 PolarHBondContact O-N 3.49Å; H14-R17 HydrophobicContact CB-CG 4.21Å; H14-R17 PolarHBondContact O-NE 2.92Å; H14-C68 PolarHBondContact CE1-N 2.8Å; H14-C68 PolarHBondContact CE1-SG 3.45Å; H14-C68 PolarHBondContact ND1-SG 3.22Å; H14-C68 VanDerWaalsContact ND1-SG 3.36Å; H14-C71 PolarHBondContact ND1-SG 3.39Å
15G88.8Confident92Very high19 Ų1926.5 Ų26.520%0.19613%0.133CC..EExtended strand (participates in β ladder)trans72.4-159.4-17400000113.7C11 R17C11-G15 WeakPolarHBondContact CB-O 3.49Å; C11-G15 PolarHBondContact N-O 3.16Å; C11-G15 VanDerWaalsContact O-CA 3.23Å; C11-G15 WeakPolarHBondContact O-CA 3.47Å; C11-G15 PolarHBondContact O-N 3.1Å; G15-R17 PolarHBondContact O-N 3.48Å
16P91.9Very high91.4Very high15 Ų1530.1 Ų30.110%0.09715%0.15CC..EExtended strand (participates in β ladder)trans-57.6134.8174.2-2232.4000110.7H9 F10 R108 V112 L115 S116H9-P16 CarbonylContact O-C 3.44Å; H9-P16 WeakPolarHBondContact O-CA 3.39Å; F10-P16 HydrophobicContact CD2-CG 3.98Å; F10-P16 HydrophobicContact CE2-CG 4.2Å; P16-R108 VanDerWaalsContact O-CZ 3.28Å; P16-R108 PolarHBondContact O-NH1 3.5Å; P16-R108 PolarHBondContact O-NH2 2.97Å; P16-V112 HydrophobicContact CB-CG2 4.33Å; P16-L115 HydrophobicContact CB-CB 4.17Å; P16-L115 HydrophobicContact CB-CD1 4.05Å; P16-L115 HydrophobicContact CG-CB 4.23Å; P16-S116 WeakPolarHBondContact CG-OG 3.28Å
17R92.1Very high90.5Very high89 Ų8933.3 Ų33.334%0.33617%0.171SC..EExtended strand (participates in β ladder)trans-146.7139.1177.6-68.8-65.3175.2161.91.5111.5C8 H9 H14 G15C8-R17 CarbonylContact C-O 3.56Å; C8-R17 WeakPolarHBondContact CA-O 3.45Å; H9-R17 PolarHBondContact N-O 3.31Å; H9-R17 PolarHBondContact ND1-O 3.45Å; H9-R17 PolarHBondContact O-N 3.26Å; H14-R17 HydrophobicContact CB-CG 4.21Å; H14-R17 PolarHBondContact O-NE 2.92Å; G15-R17 PolarHBondContact O-N 3.48Å
18T92.9Very high89.2Confident6 Ų639.2 Ų39.24%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-77.4129.8170.7-48.70000109.9A6 H97 V107A6-T18 HydrophobicContact CB-CG2 4.07Å; T18-H97 PolarHBondContact O-CE1 3.46Å; T18-V107 HydrophobicContact CG2-CG1 3.92Å
19L93.3Very high87.1Confident1 Ų143.3 Ų43.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-100.4-41.4178.6-67.4-179.9000111.7L7 H9 G70 S73 Q96 Y156 W239L7-L19 PolarHBondContact O-N 3.48Å; H9-L19 HydrophobicContact CB-CD1 3.77Å; H9-L19 HydrophobicContact CB-CG 4.29Å; H9-L19 VanDerWaalsContact ND1-CD2 3.35Å; H9-L19 WeakPolarHBondContact ND1-CD2 3.45Å; H9-L19 WeakPolarHBondContact ND1-CG 3.45Å; L19-G70 WeakPolarHBondContact CD2-O 3.43Å; L19-S73 WeakPolarHBondContact O-CB 3.4Å; L19-S73 PolarHBondContact O-OG 2.51Å; L19-Q96 WeakPolarHBondContact O-CA 3.49Å; L19-Q96 WeakPolarHBondContact O-CG 3.41Å; L19-Y156 HydrophobicContact CD1-CD1 4.3Å; L19-Y156 HydrophobicContact CD1-CE1 3.7Å; L19-W239 HydrophobicContact CB-CH2 4.32Å
20F95.1Very high84.7Confident0 Ų049.2 Ų49.20%028%0.276CS..EExtended strand (participates in β ladder)trans-152.8133.5-172.7-168.1-111000109.3A6 L7 L74 F81 H95 W239 L242 H243 F246A6-F20 CarbonylContact C-O 3.58Å; A6-F20 WeakPolarHBondContact CA-O 3.33Å; L7-F20 HydrophobicContact CB-CB 4.3Å; L7-F20 PolarHBondContact N-O 3.01Å; L7-F20 PolarHBondContact O-N 3.04Å; F20-L74 HydrophobicContact CE2-CD1 4.25Å; F20-F81 HydrophobicContact CE2-CD2 4.16Å; F20-F81 HydrophobicContact CE2-CE2 4.49Å; F20-F81 HydrophobicContact CZ-CD2 4.13Å; F20-H95 CarbonylContact C-O 3.38Å; F20-H95 WeakPolarHBondContact CA-O 3.43Å; F20-W239 HydrophobicContact CB-CE3 4.06Å; F20-W239 HydrophobicContact CB-CZ3 3.78Å; F20-W239 AromaticContact CD2-CE3 3.87Å; F20-W239 HydrophobicContact CD2-CE3 3.87Å; F20-W239 HydrophobicContact CD2-CZ3 4.4Å; F20-W239 HydrophobicContact CE2-CB 4.45Å; F20-W239 HydrophobicContact CE2-CE3 4.41Å; F20-W239 AromaticContact CG-CE3 3.95Å; F20-W239 HydrophobicContact CG-CE3 3.95Å; F20-W239 HydrophobicContact CG-CZ3 4.19Å; F20-L242 HydrophobicContact CD1-CB 4.3Å; F20-L242 HydrophobicContact CE1-CB 4.08Å; F20-H243 HydrophobicContact CE1-CB 4.36Å; F20-H243 HydrophobicContact CZ-CB 4.02Å; F20-F246 AromaticContact CD1-CD2 3.99Å; F20-F246 HydrophobicContact CD1-CD2 3.99Å; F20-F246 AromaticContact CD1-CE2 3.94Å; F20-F246 HydrophobicContact CD1-CE2 3.94Å; F20-F246 HydrophobicContact CE1-CD2 4.22Å
21C94.8Very high82Confident3 Ų350.9 Ų50.92%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-130.314417660.40000110.3L4 V5 A6 S94 H95 P98L4-C21 HydrophobicContact CD2-CB 4.13Å; V5-C21 CarbonylContact O-C 3.48Å; V5-C21 WeakPolarHBondContact O-CA 3.47Å; A6-C21 HydrophobicContact CB-CB 4Å; C21-S94 CarbonylContact O-C 3.56Å; C21-S94 WeakPolarHBondContact O-CA 3.42Å; C21-H95 PolarHBondContact N-O 2.9Å; C21-H95 PolarHBondContact O-N 3.05Å; C21-H95 PolarHBondContact SG-O 3.48Å; C21-P98 VanDerWaalsContact SG-N 3.43Å
22T95.3Very high79.8Confident0 Ų057.4 Ų57.40%033%0.331CS..EExtended strand (participates in β ladder)trans-122.3125.8173.1-54.90000109.1V5 F92 L93 S94 F246 L250V5-T22 PolarHBondContact N-O 2.98Å; V5-T22 PolarHBondContact O-N 2.9Å; T22-F92 HydrophobicContact CG2-CB 4.28Å; T22-L93 CarbonylContact C-O 3.57Å; T22-L93 VanDerWaalsContact CA-O 3.24Å; T22-L93 WeakPolarHBondContact CA-O 3.44Å; T22-S94 WeakPolarHBondContact CB-OG 3.23Å; T22-S94 WeakPolarHBondContact CG2-OG 3.44Å; T22-S94 PolarHBondContact OG1-OG 3.25Å; T22-F246 HydrophobicContact CG2-CB 4.17Å; T22-F246 WeakPolarHBondContact OG1-CB 3.37Å; T22-F246 WeakPolarHBondContact OG1-CD2 3.44Å; T22-L250 HydrophobicContact CG2-CD1 3.84Å
23E92.9Very high77.7Confident23 Ų2358.3 Ų58.311%0.10735%0.346CS..EExtended strand (participates in β ladder)trans-115.2143.6177.562.1-170.6-172.800110.7L4 F92 L93L4-E23 HydrophobicContact CD1-CB 4.45Å; E23-F92 WeakPolarHBondContact O-CA 3.41Å; E23-L93 HydrophobicContact CG-CB 3.85Å; E23-L93 PolarHBondContact N-O 2.83Å; E23-L93 PolarHBondContact O-N 2.74Å
24A91.4Very high75.4Confident12 Ų1258.4 Ų58.410%0.09936%0.355CS..EExtended strand (participates in β ladder)trans-99.1111.717300000109.9I90 F92 L250A24-I90 HydrophobicContact CB-CG2 4.19Å; A24-F92 HydrophobicContact CB-CD1 3.85Å; A24-F92 HydrophobicContact CB-CE1 3.72Å; A24-L250 HydrophobicContact CB-CD1 4.29Å
25L87.9Confident73.2Confident81 Ų8162.5 Ų62.542%0.42437%0.374SS..EExtended strand (participates in β ladder)trans-95.2117.5173-65.5-178.7000109.5R91 L93L25-R91 HydrophobicContact CB-CB 4.44Å; L25-R91 PolarHBondContact N-O 3.07Å; L25-R91 PolarHBondContact O-N 2.74Å; L25-L93 HydrophobicContact CD1-CD1 3.27Å; L25-L93 HydrophobicContact CD1-CG 3.91Å; L25-L93 HydrophobicContact CG-CD1 4.16Å; L25-L93 HydrophobicContact CG-CG 4.44Å
26H84.3Confident70.7Confident75 Ų7570.9 Ų70.935%0.34741%0.411SS..PPolyproline II helixtrans-83.7144.6175.4-60.665.8000108.5M1 N2M1-H26 PolarHBondContact N-NE2 2.99Å; M1-H26 VanDerWaalsContact N-NE2 3.15Å; M1-H26 PolarHBondContact O-CE1 2.98Å; M1-H26 VanDerWaalsContact O-CE1 3.25Å; N2-H26 PolarHBondContact OD1-CE1 2.92Å; N2-H26 PolarHBondContact OD1-ND1 3.38Å
27P78.3Confident67.8Low68 Ų6873.6 Ų73.644%0.44244%0.441SS..PPolyproline II helixtrans-56.5145169.424.8-32000109S29P27-S29 PolarHBondContact O-N 3.26Å; P27-S29 VanDerWaalsContact O-N 3.14Å
28P69.8Low65Low124 Ų12475.9 Ų75.981%0.80547%0.465SS*.PPolyproline II helixtrans-54.4125.9173.823.3-31.3000108
29S50.3Low62Low86 Ų8681.4 Ų81.460%0.60150%0.501SS*.PPolyproline II helixtrans-55.6139.8169.845.70000108P27 D31P27-S29 PolarHBondContact O-N 3.26Å; P27-S29 VanDerWaalsContact O-N 3.14Å; S29-D31 VanDerWaalsContact C-N 3.33Å; S29-D31 PolarHBondContact O-N 3.36Å
30P44.5Very low59Low127 Ų12789.4 Ų89.483%0.82554%0.543SS*.  trans-61.7101.7167.825-30.5000107.5
31D33.8Very low56.1Low101 Ų10195.5 Ų95.554%0.5458%0.583SS.*  trans-60.8129.9172.2-85-26000108.1S29 S33S29-D31 VanDerWaalsContact C-N 3.33Å; S29-D31 PolarHBondContact O-N 3.36Å; D31-S33 PolarHBondContact O-N 3.25Å
32P42.6Very low53Low139 Ų13999 Ų9990%0.90362%0.619SS**THydrogen-bonded Turntrans-68.58.3177.625.6-31.4000114
33S39.8Very low49.7Very low107 Ų107107 Ų10775%0.74866%0.662SS**THydrogen-bonded Turntrans-123.810.9-173.155.60000115.8D31D31-S33 PolarHBondContact O-N 3.25Å
34S37.6Very low47Very low93 Ų93116.6 Ų116.665%0.6570%0.697SS**  trans-117.834.9-18061.30000115.1
35Q40.3Very low44.2Very low144 Ų144123.6 Ų123.667%0.67373%0.733SS**  trans-112.676.6165.8-74.7-170.1-24.600110.9
36M36.8Very low41.4Very low195 Ų195123.3 Ų123.396%0.96175%0.749SS**  trans-159.2102.3149.3-147.970.6161.600108.2
37G30.6Very low39Very low72 Ų72127.4 Ų127.474%0.74277%0.774SS**  trans172.379-17800000110.8
38T32.6Very low36.7Very low137 Ų137135.8 Ų135.884%0.8480%0.797SS**PPolyproline II helixtrans-55.1134.2177.4-8.60000111.8
39P29.7Very low35Very low121 Ų121138.9 Ų138.979%0.78680%0.8SS**PPolyproline II helixtrans-85.6122.5167.928.4-21.8000110.2
40L30.3Very low34.4Very low169 Ų169138.2 Ų138.289%0.88581%0.807SS**PPolyproline II helixtrans-83.5139.1166.9-83.8153.6000109.8
41P34.8Very low33.6Very low129 Ų129141.1 Ų141.184%0.83881%0.81SS**PPolyproline II helixtrans-93.3132.417533.5-27.6000111.6
42G29.4Very low33.7Very low75 Ų75139.8 Ų139.877%0.77382%0.82SS**  trans13495.4161.200000114.6
43D27.2Very low33Very low170 Ų170140.5 Ų140.591%0.90982%0.815SS**  -161.7142.3109.2-133.8-14000111.1
44R35.7Very low32.7Very low223 Ų223141.6 Ų141.684%0.84282%0.817SS**  trans-91.1145.4-179.7-86.1178.7159.4-174.8-6.4110.9
45D31.5Very low32.3Very low159 Ų159145 Ų14585%0.8583%0.825SS**  trans54.5116.6151.5-67.2-28.7000120.5
46G28.7Very low31.8Very low75 Ų75149.1 Ų149.177%0.77384%0.835SS**  trans-153.691.1156.700000109.7R48G46-R48 PolarHBondContact O-N 3.13Å
47D34.3Very low31.4Very low162 Ų162143.7 Ų143.787%0.86682%0.821SS**  trans-42.4120.5162.4-103.6-27.8000111.1
48R31.1Very low31.3Very low243 Ų243148.6 Ų148.692%0.91783%0.83SS**  trans-144.795.5152.4-87.9-167.8175.1161.2-0.8109.9G46G46-R48 PolarHBondContact O-N 3.13Å
49E33.2Very low31.2Very low189 Ų189145.7 Ų145.788%0.88382%0.815SS**  trans-54.7137.2155.2-68.6-174.1124.700110.7
50G37.3Very low31.1Very low73 Ų73145 Ų14575%0.75381%0.813SS**  trans78.685.3147.600000118.4
51E27.9Very low31.1Very low188 Ų188142 Ų14288%0.87981%0.813SS**  trans-140.1116.6140.8-78.2-163.8147.600110.4L53E51-L53 PolarHBondContact O-N 2.93Å
52G35.5Very low31Very low72 Ų72141.3 Ų141.374%0.74281%0.807SS**  trans-68.9111.2179.800000111.9T54G52-T54 PolarHBondContact O-N 3.15Å; G52-T54 VanDerWaalsContact O-N 3.09Å
53L28Very low31.2Very low154 Ų154146.8 Ų146.881%0.80681%0.812SS**  trans-86.469.3165.5-64.8177.5000110E51 M55E51-L53 PolarHBondContact O-N 2.93Å; L53-M55 PolarHBondContact O-N 2.79Å
54T33.7Very low31.8Very low130 Ų130150 Ų15080%0.79881%0.811SS**  trans-70.980.4152.950.70000108.1G52 R56G52-T54 PolarHBondContact O-N 3.15Å; G52-T54 VanDerWaalsContact O-N 3.09Å; T54-R56 VanDerWaalsContact C-N 3.32Å; T54-R56 PolarHBondContact O-N 3.28Å
55M30.4Very low32.3Very low164 Ų164142.1 Ų142.181%0.80880%0.799SS**  trans-70.398.3168.8-75.5-63.8-78.500108.2L53 A57L53-M55 PolarHBondContact O-N 2.79Å; M55-A57 PolarHBondContact O-N 3.3Å
56R28.5Very low33.7Very low232 Ų232143 Ų14388%0.87580%0.798SS**  trans-44.8107163.8-80.7178.9167.7176.9-2.8108.5T54 N58T54-R56 VanDerWaalsContact C-N 3.32Å; T54-R56 PolarHBondContact O-N 3.28Å; R56-N58 PolarHBondContact O-N 2.89Å; R56-N58 VanDerWaalsContact O-N 3.09Å
57A28.2Very low35.8Very low81 Ų81142.6 Ų142.667%0.66978%0.777SS**  trans-57.5114.1158.700000107.3M55 S59M55-A57 PolarHBondContact O-N 3.3Å; A57-S59 PolarHBondContact O-N 3.08Å; A57-S59 PolarHBondContact O-OG 3.28Å
58N28.6Very low38.1Very low175 Ų175135.8 Ų135.894%0.93674%0.741SS**  trans-56.389.7162.3-96.6-5.9000107.8R56R56-N58 PolarHBondContact O-N 2.89Å; R56-N58 VanDerWaalsContact O-N 3.09Å
59S30.9Very low40.5Very low75 Ų75131 Ų13152%0.52473%0.73SS.*  trans-115.8112.9165.840.90000104.8A57 A61A57-S59 PolarHBondContact O-N 3.08Å; A57-S59 PolarHBondContact O-OG 3.28Å; S59-A61 PolarHBondContact O-N 3.34Å
60S27.8Very low42.9Very low106 Ų106122.1 Ų122.174%0.74169%0.689SS**  trans-42122.1169.546.80000109.8T62S60-T62 PolarHBondContact O-N 3.12Å
61A31.2Very low45.2Very low108 Ų108118.7 Ų118.789%0.89365%0.653SS**SBendtrans-73.452.8-172.500000113.4S59S59-A61 PolarHBondContact O-N 3.34Å
62T31Very low48Very low114 Ų114115.9 Ų115.970%0.69963%0.634SS**SBendtrans-127.9104.1173.932.50000109.5S60S60-T62 PolarHBondContact O-N 3.12Å
63Q35.6Very low50.3Low190 Ų190113 Ų11389%0.88860%0.603SS**  trans80.964.8165.7-48.6-173.12.200118.5G65Q63-G65 PolarHBondContact O-N 3.01Å; Q63-G65 VanDerWaalsContact O-N 3.12Å
64R39.6Very low53Low238 Ų238106.7 Ų106.790%0.89857%0.57SS**  trans-76.178144.3-78.5-172.7-175.9-179.81.9108.3
65G44.9Very low55.2Low56 Ų56104.5 Ų104.558%0.57756%0.558SS**  trans-60.7137.8165.300000109.4Q63 M67Q63-G65 PolarHBondContact O-N 3.01Å; Q63-G65 VanDerWaalsContact O-N 3.12Å; G65-M67 PolarHBondContact O-N 3.23Å
66E60.7Low57.2Low179 Ų179102.2 Ų102.284%0.83657%0.565SS**  trans-53.4109.5175.6-68.5-177.2149.600110.2C68E66-C68 PolarHBondContact O-N 3.22Å
67M73.3Confident59.5Low66 Ų6696.5 Ų96.533%0.32556%0.561SS.*  trans-65.1129.8175.8-69.9176.665.800109.4G65 C71 R72G65-M67 PolarHBondContact O-N 3.23Å; M67-C71 HydrophobicContact CE-CB 4.06Å; M67-C71 WeakPolarHBondContact CE-O 3.43Å; M67-R72 HydrophobicContact CB-CG 4.13Å; M67-R72 HydrophobicContact CE-CG 4.38Å; M67-R72 PolarHBondContact O-NE 3.4Å; M67-R72 PolarHBondContact O-NH2 2.74Å
68C83Confident62.1Low18 Ų1896.1 Ų96.112%0.12255%0.545CS..  trans-67.8160.6175.469.50000111.6H14 E66 G70 C71 A225H14-C68 PolarHBondContact CE1-N 2.8Å; H14-C68 PolarHBondContact CE1-SG 3.45Å; H14-C68 PolarHBondContact ND1-SG 3.22Å; H14-C68 VanDerWaalsContact ND1-SG 3.36Å; E66-C68 PolarHBondContact O-N 3.22Å; C68-G70 VanDerWaalsContact C-N 3.28Å; C68-G70 PolarHBondContact O-N 3Å; C68-C71 PolarHBondContact O-N 3.24Å; C68-C71 PolarHBondContact SG-SG 2.94Å; C68-A225 HydrophobicContact CB-CB 4.41Å
69E81.8Confident64.8Low143 Ų14392.2 Ų92.267%0.66853%0.529SS*.G310 helixtrans-56.8-39.1-177-62.8-167.4151.100113.4C71 R72E69-C71 PolarHBondContact O-N 3.07Å; E69-R72 PolarHBondContact O-N 3.04Å; E69-R72 VanDerWaalsContact O-N 3.15Å
70G82.2Confident67.6Low2 Ų289.2 Ų89.22%0.02151%0.51CS..G310 helixtrans-67.5-20.1177.600000114.6H9 L19 C68 A226 R227H9-G70 PolarHBondContact CE1-O 3.3Å; H9-G70 PolarHBondContact NE2-O 3.48Å; L19-G70 WeakPolarHBondContact CD2-O 3.43Å; C68-G70 VanDerWaalsContact C-N 3.28Å; C68-G70 PolarHBondContact O-N 3Å; G70-A226 WeakPolarHBondContact CA-O 3.46Å; G70-A226 PolarHBondContact N-O 3.42Å; G70-R227 VanDerWaalsContact CA-O 3.29Å; G70-R227 WeakPolarHBondContact CA-O 3.18Å
71C86.1Confident70.8Confident1 Ų186.5 Ų86.51%0.00749%0.485CS..G310 helixtrans-90.4-1.8175.3-69.30000113.6H9 C11 H14 M67 C68 E69 Q96H9-C71 PolarHBondContact CE1-SG 2.95Å; H9-C71 PolarHBondContact NE2-SG 3.13Å; C11-C71 VanDerWaalsContact CB-SG 3.59Å; H14-C71 PolarHBondContact ND1-SG 3.39Å; M67-C71 HydrophobicContact CE-CB 4.06Å; M67-C71 WeakPolarHBondContact CE-O 3.43Å; C68-C71 PolarHBondContact O-N 3.24Å; C68-C71 PolarHBondContact SG-SG 2.94Å; E69-C71 PolarHBondContact O-N 3.07Å; C71-Q96 PolarHBondContact O-NE2 3.35Å
72R86.8Confident73.8Confident129 Ų12985.7 Ų85.749%0.48747%0.469SS..  trans-108.2132.9178.9-61.6-176.2-168.4-154.32.2109.4M67 E69M67-R72 HydrophobicContact CB-CG 4.13Å; M67-R72 HydrophobicContact CE-CG 4.38Å; M67-R72 PolarHBondContact O-NE 3.4Å; M67-R72 PolarHBondContact O-NH2 2.74Å; E69-R72 PolarHBondContact O-N 3.04Å; E69-R72 VanDerWaalsContact O-N 3.15Å
73S84.3Confident76.8Confident12 Ų1282 Ų828%0.08445%0.448CS..  trans-99.3-59.9175.152.90000111.7L19 Q96 W239L19-S73 WeakPolarHBondContact O-CB 3.4Å; L19-S73 PolarHBondContact O-OG 2.51Å; S73-Q96 WeakPolarHBondContact OG-CB 3Å; S73-W239 VanDerWaalsContact CB-CH2 3.4Å; S73-W239 VanDerWaalsContact CB-CZ2 3.42Å; S73-W239 PolarHBondContact O-NE1 3.06Å
74L84.6Confident79.5Confident22 Ų2277.4 Ų77.412%0.11543%0.428CS..SBendtrans-106.4146.6-177.6-60.2168.4000110.3F20 H78 F81 W239F20-L74 HydrophobicContact CE2-CD1 4.25Å; L74-H78 HydrophobicContact CB-CB 4.31Å; L74-F81 HydrophobicContact CD2-CE2 3.89Å; L74-W239 HydrophobicContact CD2-CB 4Å; L74-W239 HydrophobicContact CD2-CG 3.94Å
75P79.9Confident82Confident84 Ų8466.9 Ų66.955%0.54539%0.39SS..  trans-56.8148.8169.4-20.931.4000111S77 H78P75-S77 PolarHBondContact O-N 3.27Å; P75-H78 HydrophobicContact CB-CB 4.48Å; P75-H78 WeakPolarHBondContact O-CB 3.45Å; P75-H78 PolarHBondContact O-N 3.1Å
76A72.1Confident84Confident115 Ų11571.6 Ų71.695%0.9540%0.402SS*.THydrogen-bonded Turntrans-59.7-22179.500000113.6
77S76.3Confident85.2Confident113 Ų11370.6 Ų70.679%0.7940%0.397SS*.THydrogen-bonded Turntrans-84.3-9.6176.353.70000114.3P75P75-S77 PolarHBondContact O-N 3.27Å
78H83.9Confident85.8Confident72 Ų7270.7 Ų70.733%0.33340%0.401SS..  trans-86.5125.2-173.6-166.374.7000111.3L74 P75 G80 F81L74-H78 HydrophobicContact CB-CB 4.31Å; P75-H78 HydrophobicContact CB-CB 4.48Å; P75-H78 WeakPolarHBondContact O-CB 3.45Å; P75-H78 PolarHBondContact O-N 3.1Å; H78-G80 PolarHBondContact CD2-N 2.99Å; H78-G80 PolarHBondContact O-N 2.87Å; H78-G80 VanDerWaalsContact O-N 3.13Å; H78-F81 AromaticContact NE2-CE2 3.97Å; H78-F81 AromaticContact NE2-CZ 3.77Å
79P84.4Confident86Confident93 Ų9371.3 Ų71.360%0.60441%0.411SS*.  trans-76.83.8-172.732.5-37.6000114.5H95P79-H95 PolarHBondContact O-CE1 3.34Å; P79-H95 PolarHBondContact O-NE2 3.34Å
80G90.9Very high86.5Confident12 Ų1265.9 Ų65.912%0.12439%0.386CS..  trans87.6179.9-175.300000112.9H78 S94H78-G80 PolarHBondContact CD2-N 2.99Å; H78-G80 PolarHBondContact O-N 2.87Å; H78-G80 VanDerWaalsContact O-N 3.13Å; G80-S94 CarbonylContact C-O 3.56Å; G80-S94 VanDerWaalsContact CA-O 3.25Å; G80-S94 WeakPolarHBondContact CA-O 3.4Å
81F94.1Very high87Confident50 Ų5072.6 Ų72.622%0.21941%0.411CS..EExtended strand (participates in β ladder)trans-106.3144176.7-63-82.4000110.8F20 L74 H78 L93 S94 W239 A240 H243F20-F81 HydrophobicContact CE2-CD2 4.16Å; F20-F81 HydrophobicContact CE2-CE2 4.49Å; F20-F81 HydrophobicContact CZ-CD2 4.13Å; L74-F81 HydrophobicContact CD2-CE2 3.89Å; H78-F81 AromaticContact NE2-CE2 3.97Å; H78-F81 AromaticContact NE2-CZ 3.77Å; F81-L93 CarbonylContact O-C 3.59Å; F81-S94 PolarHBondContact N-O 2.98Å; F81-S94 PolarHBondContact O-N 3.37Å; F81-W239 HydrophobicContact CE2-CB 3.68Å; F81-W239 HydrophobicContact CZ-CB 4.19Å; F81-A240 HydrophobicContact CD1-CB 4.45Å; F81-A240 HydrophobicContact CE1-CB 3.79Å; F81-A240 HydrophobicContact CZ-CB 4Å; F81-H243 HydrophobicContact CB-CB 3.99Å; F81-H243 VanDerWaalsContact CB-CG 3.5Å; F81-H243 HydrophobicContact CD2-CB 4.28Å; F81-H243 HydrophobicContact CG-CB 4.13Å
82V94Very high87.3Confident90 Ų9073 Ų7355%0.54541%0.413SS..EExtended strand (participates in β ladder)trans-134128.3175.9-177.80000108.6I84 F92 L93V82-I84 HydrophobicContact CG1-CG1 4.41Å; V82-F92 WeakPolarHBondContact CA-O 3.39Å; V82-L93 HydrophobicContact CB-CD2 4.07Å; V82-L93 HydrophobicContact CG1-CD2 3.68Å; V82-L93 HydrophobicContact CG2-CD2 3.49Å; V82-L93 VanDerWaalsContact CG2-CD2 3.49Å
83S94Very high87.7Confident37 Ų3768.1 Ų68.126%0.25940%0.396SS..EExtended strand (participates in β ladder)trans-124.2147.4165.4490000109.7R91 F92 H243 S247S83-R91 CarbonylContact O-C 3.2Å; S83-R91 WeakPolarHBondContact O-CA 3.36Å; S83-F92 PolarHBondContact N-O 3.09Å; S83-F92 PolarHBondContact O-N 2.86Å; S83-H243 WeakPolarHBondContact CB-NE2 3.35Å; S83-H243 PolarHBondContact N-NE2 3.01Å; S83-H243 PolarHBondContact OG-CE1 3.47Å; S83-H243 VanDerWaalsContact OG-CE1 3.3Å; S83-H243 PolarHBondContact OG-NE2 2.88Å; S83-S247 PolarHBondContact OG-OG 2.91Å
84I93.3Very high88.2Confident94 Ų9467.5 Ų67.548%0.48239%0.392SS..EExtended strand (participates in β ladder)trans-121.2132.4-179-53.1-178.9000106.9V82 R91V82-I84 HydrophobicContact CG1-CG1 4.41Å; I84-R91 HydrophobicContact CG1-CG 4.17Å; I84-R91 HydrophobicContact CG2-CG 4.4Å
85D91.1Very high88.5Confident17 Ų1768.2 Ų68.29%0.09140%0.395CS..  trans-89.6111.2171.6-17527.6000109.6E87 T88 G89 I90 F92 K251D85-E87 PolarHBondContact O-N 3.32Å; D85-T88 WeakPolarHBondContact CB-OG1 3.48Å; D85-T88 VanDerWaalsContact CG-OG1 3.31Å; D85-T88 PolarHBondContact O-N 3.21Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.37Å; D85-T88 PolarHBondContact OD2-OG1 3.42Å; D85-G89 VanDerWaalsContact O-CA 3.26Å; D85-G89 WeakPolarHBondContact O-CA 3.44Å; D85-G89 PolarHBondContact O-N 3.4Å; D85-I90 PolarHBondContact N-O 3.35Å; D85-F92 HydrophobicContact CB-CE2 4.23Å; D85-K251 VanDerWaalsContact CG-NZ 3.31Å; D85-K251 WeakPolarHBondContact OD1-CE 3.29Å; D85-K251 IonicContact OD1-NZ 4Å; D85-K251 PolarHBondContact OD1-NZ 3.31Å; D85-K251 WeakPolarHBondContact OD2-CE 3.25Å; D85-K251 IonicContact OD2-NZ 2.68Å; D85-K251 PolarHBondContact OD2-NZ 2.92Å
86D88.3Confident89Confident154 Ų15465.8 Ų65.882%0.82438%0.376SS*.THydrogen-bonded Turntrans-65.2-28-174.6-63-35.5000112.7
87E85.3Confident89.7Confident158 Ų15863.5 Ų63.574%0.73835%0.345SS*.THydrogen-bonded Turntrans-74.5-38.4-179.1-64.7172.815700112.7D85 K251D85-E87 PolarHBondContact O-N 3.32Å; E87-K251 IonicContact OE2-NZ 3.36Å; E87-K251 PolarHBondContact OE2-NZ 2.87Å
88T84.7Confident90.3Very high68 Ų6858.6 Ų58.642%0.41731%0.311SS..THydrogen-bonded Turntrans-110.3-11.2-172.963.20000113.3D85 I90D85-T88 WeakPolarHBondContact CB-OG1 3.48Å; D85-T88 VanDerWaalsContact CG-OG1 3.31Å; D85-T88 PolarHBondContact O-N 3.21Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.37Å; D85-T88 PolarHBondContact OD2-OG1 3.42Å; T88-I90 PolarHBondContact O-N 2.91Å; T88-I90 WeakPolarHBondContact OG1-CB 3.48Å; T88-I90 WeakPolarHBondContact OG1-CD1 3.19Å; T88-I90 VanDerWaalsContact OG1-CG1 3.3Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.5Å; T88-I90 PolarHBondContact OG1-N 3.5Å
89G88.4Confident90.2Very high32 Ų3263.8 Ų63.833%0.3333%0.328SS..  trans67.56.8-172.200000114.2D85D85-G89 VanDerWaalsContact O-CA 3.26Å; D85-G89 WeakPolarHBondContact O-CA 3.44Å; D85-G89 PolarHBondContact O-N 3.4Å
90I91.1Very high90.3Very high28 Ų2864.5 Ų64.514%0.14432%0.323CS..  trans-72.6134.3-178.3-63.2171.5000109.6A24 D85 T88 F92A24-I90 HydrophobicContact CB-CG2 4.19Å; D85-I90 PolarHBondContact N-O 3.35Å; T88-I90 PolarHBondContact O-N 2.91Å; T88-I90 WeakPolarHBondContact OG1-CB 3.48Å; T88-I90 WeakPolarHBondContact OG1-CD1 3.19Å; T88-I90 VanDerWaalsContact OG1-CG1 3.3Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.5Å; T88-I90 PolarHBondContact OG1-N 3.5Å; I90-F92 HydrophobicContact CB-CZ 4.42Å; I90-F92 HydrophobicContact CG2-CD1 4.46Å; I90-F92 HydrophobicContact CG2-CE1 3.89Å; I90-F92 HydrophobicContact CG2-CE2 4.17Å; I90-F92 HydrophobicContact CG2-CZ 3.73Å
91R92.9Very high90.1Very high143 Ų14368.5 Ų68.554%0.5435%0.349SS..EExtended strand (participates in β ladder)trans-105.6123.8177.7-54.8-177.6-178.2-179.9-0.9109.8L25 S83 I84L25-R91 HydrophobicContact CB-CB 4.44Å; L25-R91 PolarHBondContact N-O 3.07Å; L25-R91 PolarHBondContact O-N 2.74Å; S83-R91 CarbonylContact O-C 3.2Å; S83-R91 WeakPolarHBondContact O-CA 3.36Å; I84-R91 HydrophobicContact CG1-CG 4.17Å; I84-R91 HydrophobicContact CG2-CG 4.4Å
92F94Very high89.8Confident10 Ų1072.8 Ų72.84%0.04437%0.37CS..EExtended strand (participates in β ladder)trans-97.6116.4173.1-55.9-77.6000109.3T22 E23 A24 V82 S83 D85 I90 H243 S247 L250 K251T22-F92 HydrophobicContact CG2-CB 4.28Å; E23-F92 WeakPolarHBondContact O-CA 3.41Å; A24-F92 HydrophobicContact CB-CD1 3.85Å; A24-F92 HydrophobicContact CB-CE1 3.72Å; V82-F92 WeakPolarHBondContact CA-O 3.39Å; S83-F92 PolarHBondContact N-O 3.09Å; S83-F92 PolarHBondContact O-N 2.86Å; D85-F92 HydrophobicContact CB-CE2 4.23Å; I90-F92 HydrophobicContact CB-CZ 4.42Å; I90-F92 HydrophobicContact CG2-CD1 4.46Å; I90-F92 HydrophobicContact CG2-CE1 3.89Å; I90-F92 HydrophobicContact CG2-CE2 4.17Å; I90-F92 HydrophobicContact CG2-CZ 3.73Å; F92-H243 PolarHBondContact O-CE1 3.17Å; F92-S247 WeakPolarHBondContact CB-OG 3.47Å; F92-L250 HydrophobicContact CD1-CB 4.01Å; F92-L250 HydrophobicContact CD1-CD1 3.97Å; F92-L250 HydrophobicContact CE1-CB 3.57Å; F92-L250 HydrophobicContact CE1-CD1 4.33Å; F92-K251 HydrophobicContact CE2-CB 4.31Å; F92-K251 HydrophobicContact CZ-CB 3.85Å
93L93.6Very high89.6Confident26 Ų2671 Ų7114%0.13636%0.357CS..EExtended strand (participates in β ladder)trans-105.7133.4178.3-54.7-175.5000109.6T22 E23 L25 F81 V82T22-L93 CarbonylContact C-O 3.57Å; T22-L93 VanDerWaalsContact CA-O 3.24Å; T22-L93 WeakPolarHBondContact CA-O 3.44Å; E23-L93 HydrophobicContact CG-CB 3.85Å; E23-L93 PolarHBondContact N-O 2.83Å; E23-L93 PolarHBondContact O-N 2.74Å; L25-L93 HydrophobicContact CD1-CD1 3.27Å; L25-L93 HydrophobicContact CD1-CG 3.91Å; L25-L93 HydrophobicContact CG-CD1 4.16Å; L25-L93 HydrophobicContact CG-CG 4.44Å; F81-L93 CarbonylContact O-C 3.59Å; V82-L93 HydrophobicContact CB-CD2 4.07Å; V82-L93 HydrophobicContact CG1-CD2 3.68Å; V82-L93 HydrophobicContact CG2-CD2 3.49Å; V82-L93 VanDerWaalsContact CG2-CD2 3.49Å
94S94.5Very high89.5Confident0 Ų073.1 Ų73.10%036%0.362CS..EExtended strand (participates in β ladder)trans-122.7132.1171.8-57.90000113.8C21 T22 G80 F81 H243C21-S94 CarbonylContact O-C 3.56Å; C21-S94 WeakPolarHBondContact O-CA 3.42Å; T22-S94 WeakPolarHBondContact CB-OG 3.23Å; T22-S94 WeakPolarHBondContact CG2-OG 3.44Å; T22-S94 PolarHBondContact OG1-OG 3.25Å; G80-S94 CarbonylContact C-O 3.56Å; G80-S94 VanDerWaalsContact CA-O 3.25Å; G80-S94 WeakPolarHBondContact CA-O 3.4Å; F81-S94 PolarHBondContact N-O 2.98Å; F81-S94 PolarHBondContact O-N 3.37Å; S94-H243 WeakPolarHBondContact CB-ND1 3.5Å; S94-H243 PolarHBondContact OG-ND1 3.12Å
95H92.4Very high89.4Confident37 Ų3771.7 Ų71.717%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-145.7175.1178.8-90-80000110.7F20 C21 P79 H97 R99F20-H95 CarbonylContact C-O 3.38Å; F20-H95 WeakPolarHBondContact CA-O 3.43Å; C21-H95 PolarHBondContact N-O 2.9Å; C21-H95 PolarHBondContact O-N 3.05Å; C21-H95 PolarHBondContact SG-O 3.48Å; P79-H95 PolarHBondContact O-CE1 3.34Å; P79-H95 PolarHBondContact O-NE2 3.34Å; H95-H97 WeakPolarHBondContact CB-O 3.39Å; H95-R99 PolarHBondContact NE2-NE 3.36Å; H95-R99 PolarHBondContact NE2-NH2 3.25Å
96Q90Very high89.5Confident33 Ų3371.8 Ų71.815%0.15436%0.361CS..SBendtrans-67.9-39.2172.6177.71632.300112.3L19 C71 S73L19-Q96 WeakPolarHBondContact O-CA 3.49Å; L19-Q96 WeakPolarHBondContact O-CG 3.41Å; C71-Q96 PolarHBondContact O-NE2 3.35Å; S73-Q96 WeakPolarHBondContact OG-CB 3Å
97H87.6Confident89.7Confident66 Ų6664.6 Ų64.631%0.30632%0.323SS..SBendtrans-135.6147.2-179.2-62.2-36.3000109.6T18 H95 F104T18-H97 PolarHBondContact O-CE1 3.46Å; H95-H97 WeakPolarHBondContact CB-O 3.39Å; H97-F104 HydrophobicContact CB-CD2 3.98Å; H97-F104 HydrophobicContact CB-CE2 4.14Å; H97-F104 AromaticContact CG-CE2 3.85Å
98P87.4Confident90.1Very high11 Ų1160.2 Ų60.27%0.07130%0.3CS..  trans-59.6144.3173.5-20.432.2000110.4L4 C21 Q100 L103 V107L4-P98 HydrophobicContact CD1-CG 3.99Å; C21-P98 VanDerWaalsContact SG-N 3.43Å; P98-Q100 VanDerWaalsContact C-N 3.34Å; P98-L103 HydrophobicContact CB-CB 3.73Å; P98-L103 HydrophobicContact CG-CB 4.22Å; P98-V107 HydrophobicContact CG-CB 4.35Å; P98-V107 HydrophobicContact CG-CG2 3.94Å
99R82.3Confident90.5Very high180 Ų18060 Ų6068%0.67929%0.294SS*.SBendtrans-71.6-31.5179.2-67.4-175179.3-169.22.1112.2H95H95-R99 PolarHBondContact NE2-NE 3.36Å; H95-R99 PolarHBondContact NE2-NH2 3.25Å
100Q85.9Confident90.7Very high108 Ų10858.7 Ų58.751%0.50528%0.28SS..SBendtrans-83.9129.6-179.3-165.6175.47.200111.3P98 Q102 L103 F104P98-Q100 VanDerWaalsContact C-N 3.34Å; Q100-Q102 VanDerWaalsContact C-N 3.3Å; Q100-Q102 PolarHBondContact O-N 2.83Å; Q100-L103 HydrophobicContact CB-CB 4.38Å; Q100-L103 HydrophobicContact CB-CD1 4.16Å; Q100-L103 HydrophobicContact CB-CG 4.24Å; Q100-L103 PolarHBondContact O-N 2.7Å; Q100-F104 PolarHBondContact O-N 3.5Å
101S88.4Confident90.9Very high97 Ų9757.4 Ų57.468%0.67827%0.273SS*.Hα-helixtrans-60.7-35.3-175.9-172.20000113.8F104 S105S101-F104 WeakPolarHBondContact O-CB 3.47Å; S101-F104 PolarHBondContact O-N 2.94Å; S101-S105 PolarHBondContact O-N 3.5Å; S101-S105 VanDerWaalsContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 2.99Å
102Q87.4Confident91Very high140 Ų14053 Ų5365%0.65426%0.262SS*.Hα-helixtrans-67.9-40.8178.2-69.3177.7-16.200111.9Q100 F104 S105 V106Q100-Q102 VanDerWaalsContact C-N 3.3Å; Q100-Q102 PolarHBondContact O-N 2.83Å; Q102-F104 VanDerWaalsContact C-N 3.33Å; Q102-S105 PolarHBondContact O-N 3.45Å; Q102-S105 PolarHBondContact O-OG 2.97Å; Q102-V106 WeakPolarHBondContact O-CG2 3.5Å; Q102-V106 PolarHBondContact O-N 2.8Å
103L88.9Confident90.9Very high53 Ų5355.6 Ų55.628%0.27727%0.272SS..Hα-helixtrans-67.6-37.3174.5-66179.5000111P98 Q100 S105 V106 V107P98-L103 HydrophobicContact CB-CB 3.73Å; P98-L103 HydrophobicContact CG-CB 4.22Å; Q100-L103 HydrophobicContact CB-CB 4.38Å; Q100-L103 HydrophobicContact CB-CD1 4.16Å; Q100-L103 HydrophobicContact CB-CG 4.24Å; Q100-L103 PolarHBondContact O-N 2.7Å; L103-S105 PolarHBondContact O-N 3.43Å; L103-V106 PolarHBondContact O-N 3.32Å; L103-V107 WeakPolarHBondContact O-CB 3.16Å; L103-V107 VanDerWaalsContact O-CG2 3.28Å; L103-V107 WeakPolarHBondContact O-CG2 3.44Å; L103-V107 PolarHBondContact O-N 3.47Å
104F91.5Very high91Very high80 Ų8054.4 Ų54.435%0.35127%0.266SS..Hα-helixtrans-58.9-46.3175.4176.9-96.7000112.3H97 Q100 S101 Q102 V106 V107 R108H97-F104 HydrophobicContact CB-CD2 3.98Å; H97-F104 HydrophobicContact CB-CE2 4.14Å; H97-F104 AromaticContact CG-CE2 3.85Å; Q100-F104 PolarHBondContact O-N 3.5Å; S101-F104 WeakPolarHBondContact O-CB 3.47Å; S101-F104 PolarHBondContact O-N 2.94Å; Q102-F104 VanDerWaalsContact C-N 3.33Å; F104-V106 PolarHBondContact O-N 2.88Å; F104-V107 PolarHBondContact O-N 2.57Å; F104-R108 WeakPolarHBondContact O-CB 3.45Å; F104-R108 PolarHBondContact O-N 2.71Å
105S91.9Very high90.8Very high64 Ų6455 Ų5545%0.44827%0.269SS..Hα-helixtrans-62.4-43.1178.349.50000112.2S101 Q102 L103 R108 Q109S101-S105 PolarHBondContact O-N 3.5Å; S101-S105 VanDerWaalsContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 2.99Å; Q102-S105 PolarHBondContact O-N 3.45Å; Q102-S105 PolarHBondContact O-OG 2.97Å; L103-S105 PolarHBondContact O-N 3.43Å; S105-R108 PolarHBondContact O-N 2.99Å; S105-Q109 WeakPolarHBondContact O-CB 3.22Å; S105-Q109 PolarHBondContact O-N 3.29Å
106V92.6Very high90.7Very high20 Ų2056.5 Ų56.512%0.12128%0.283CS..Hα-helixtrans-61-51177.5165.60000111.4Q102 L103 F104 R108 Q109 A110 H134 V161Q102-V106 WeakPolarHBondContact O-CG2 3.5Å; Q102-V106 PolarHBondContact O-N 2.8Å; L103-V106 PolarHBondContact O-N 3.32Å; F104-V106 PolarHBondContact O-N 2.88Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.46Å; V106-Q109 PolarHBondContact O-N 3.07Å; V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 2.88Å; V106-H134 WeakPolarHBondContact CG1-O 3.45Å; V106-V161 HydrophobicContact CG1-CG1 3.7Å
107V92.8Very high90.6Very high3 Ų358.7 Ų58.72%0.01830%0.301CS..Hα-helixtrans-64.6-37.8179.4174.70000111.3L4 A6 T18 P98 L103 F104 A110 C111L4-V107 HydrophobicContact CD1-CG2 3.67Å; L4-V107 HydrophobicContact CD2-CG1 4.48Å; L4-V107 HydrophobicContact CD2-CG2 3.44Å; L4-V107 VanDerWaalsContact CD2-CG2 3.44Å; L4-V107 HydrophobicContact CG-CG2 4.19Å; A6-V107 HydrophobicContact CB-CG1 4.02Å; T18-V107 HydrophobicContact CG2-CG1 3.92Å; P98-V107 HydrophobicContact CG-CB 4.35Å; P98-V107 HydrophobicContact CG-CG2 3.94Å; L103-V107 WeakPolarHBondContact O-CB 3.16Å; L103-V107 VanDerWaalsContact O-CG2 3.28Å; L103-V107 WeakPolarHBondContact O-CG2 3.44Å; L103-V107 PolarHBondContact O-N 3.47Å; F104-V107 PolarHBondContact O-N 2.57Å; V107-A110 PolarHBondContact O-N 3.48Å; V107-C111 VanDerWaalsContact O-CB 3.28Å; V107-C111 WeakPolarHBondContact O-CB 3.24Å; V107-C111 PolarHBondContact O-N 2.83Å
108R93.3Very high90.8Very high66 Ų6658.3 Ų58.325%0.24930%0.299CS..Hα-helixtrans-61.6-46176.8179.468.2-169.2135.1-9.4111.2P16 F104 S105 V106 C111 V112P16-R108 VanDerWaalsContact O-CZ 3.28Å; P16-R108 PolarHBondContact O-NH1 3.5Å; P16-R108 PolarHBondContact O-NH2 2.97Å; F104-R108 WeakPolarHBondContact O-CB 3.45Å; F104-R108 PolarHBondContact O-N 2.71Å; S105-R108 PolarHBondContact O-N 2.99Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.46Å; R108-C111 WeakPolarHBondContact O-CB 3.38Å; R108-C111 PolarHBondContact O-N 3.32Å; R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 2.94Å
109Q92.7Very high90.8Very high64 Ų6463.7 Ų63.730%0.29933%0.332SS..Hα-helixtrans-68.4-42.8179.3-175.3173.7-5.500111.9S105 V106 C111 V112 R113 H134S105-Q109 WeakPolarHBondContact O-CB 3.22Å; S105-Q109 PolarHBondContact O-N 3.29Å; V106-Q109 PolarHBondContact O-N 3.07Å; Q109-C111 VanDerWaalsContact C-N 3.28Å; Q109-C111 PolarHBondContact O-N 3.45Å; Q109-V112 PolarHBondContact O-N 3.26Å; Q109-R113 WeakPolarHBondContact O-CG 3.17Å; Q109-R113 PolarHBondContact O-N 3.28Å; Q109-H134 VanDerWaalsContact CD-CD2 3.5Å; Q109-H134 PolarHBondContact NE2-CD2 2.9Å; Q109-H134 PolarHBondContact NE2-CE1 2.99Å; Q109-H134 VanDerWaalsContact NE2-CG 3.33Å; Q109-H134 PolarHBondContact NE2-ND1 3.49Å; Q109-H134 PolarHBondContact NE2-NE2 3.34Å; Q109-H134 PolarHBondContact OE1-CD2 2.83Å; Q109-H134 VanDerWaalsContact OE1-CG 3.26Å; Q109-H134 PolarHBondContact OE1-NE2 2.8Å
110A94.3Very high90.8Very high4 Ų455.8 Ų55.83%0.03330%0.304CS..Hα-helixtrans-56.4-43.4172.800000111.6V106 V107 S114 V137 V161V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 2.88Å; V107-A110 PolarHBondContact O-N 3.48Å; A110-S114 WeakPolarHBondContact O-CB 3.35Å; A110-S114 PolarHBondContact O-N 2.88Å; A110-V137 HydrophobicContact CB-CG1 4.19Å; A110-V137 HydrophobicContact CB-CG2 3.8Å; A110-V161 HydrophobicContact CB-CG2 3.95Å
111C94.7Very high90.6Very high0 Ų056.8 Ų56.80%032%0.32CS..Hα-helixtrans-61.9-46.7175.8171.20000112.8C8 V107 R108 Q109 L115C8-C111 HydrophobicContact CB-CB 4.3Å; C8-C111 VanDerWaalsContact SG-CB 3.55Å; V107-C111 VanDerWaalsContact O-CB 3.28Å; V107-C111 WeakPolarHBondContact O-CB 3.24Å; V107-C111 PolarHBondContact O-N 2.83Å; R108-C111 WeakPolarHBondContact O-CB 3.38Å; R108-C111 PolarHBondContact O-N 3.32Å; Q109-C111 VanDerWaalsContact C-N 3.28Å; Q109-C111 PolarHBondContact O-N 3.45Å; C111-L115 PolarHBondContact O-N 3.17Å
112V93.8Very high90Very high51 Ų5155.5 Ų55.531%0.30932%0.322SS..Hα-helixtrans-64.8-47.5179.8171.50000110.7P16 R108 Q109 L115 S116P16-V112 HydrophobicContact CB-CG2 4.33Å; R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 2.94Å; Q109-V112 PolarHBondContact O-N 3.26Å; V112-L115 PolarHBondContact O-N 2.96Å; V112-S116 VanDerWaalsContact O-CB 3.27Å; V112-S116 WeakPolarHBondContact O-CB 3.27Å; V112-S116 PolarHBondContact O-N 3.02Å
113R93.6Very high89.6Confident65 Ų6555.9 Ų55.925%0.24532%0.318CS..Hα-helixtrans-61-48.4178.6-73.1-172.363.3176.61.7111.8Q109 L115 C117 E118 F129Q109-R113 WeakPolarHBondContact O-CG 3.17Å; Q109-R113 PolarHBondContact O-N 3.28Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 3.1Å; R113-C117 PolarHBondContact O-N 3.42Å; R113-E118 IonicContact CZ-OE1 3.06Å; R113-E118 IonicContact NE-OE1 3.99Å; R113-E118 PolarHBondContact NE-OE1 3.07Å; R113-E118 IonicContact NH2-OE1 2.9Å; R113-E118 PolarHBondContact NH2-OE1 2.94Å; R113-E118 WeakPolarHBondContact O-CG 3.4Å; R113-E118 PolarHBondContact O-N 3.49Å; R113-F129 HydrophobicContact CB-CD2 4.25Å; R113-F129 HydrophobicContact CB-CE2 3.56Å; R113-F129 HydrophobicContact CB-CZ 3.92Å; R113-F129 HydrophobicContact CG-CE2 4.44Å
114S93.9Very high89.6Confident1 Ų157.2 Ų57.21%0.00732%0.322CS..Hα-helixtrans-56.3-40.8-179.9174.20000113.5A110 S139 S157A110-S114 WeakPolarHBondContact O-CB 3.35Å; A110-S114 PolarHBondContact O-N 2.88Å; S114-S139 PolarHBondContact OG-OG 3.01Å; S114-S157 WeakPolarHBondContact OG-CB 3.36Å; S114-S157 PolarHBondContact OG-OG 3.49Å
115L91.3Very high89.7Confident13 Ų1353.9 Ų53.97%0.06831%0.311CS..Hα-helixtrans-101.1-11.6-173.4-69.7172.4000114.5C8 H9 F10 P16 C111 V112 R113C8-L115 HydrophobicContact CB-CD1 3.82Å; H9-L115 VanDerWaalsContact C-CD1 3.44Å; H9-L115 WeakPolarHBondContact O-CD1 3.39Å; F10-L115 HydrophobicContact CB-CD1 4.42Å; P16-L115 HydrophobicContact CB-CB 4.17Å; P16-L115 HydrophobicContact CB-CD1 4.05Å; P16-L115 HydrophobicContact CG-CB 4.23Å; C111-L115 PolarHBondContact O-N 3.17Å; V112-L115 PolarHBondContact O-N 2.96Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 3.1Å
116S90.1Very high89.9Confident68 Ų6852.9 Ų52.948%0.47630%0.303SS..Hα-helixtrans-131.5-21-173.4-58.80000115.5P16 V112P16-S116 WeakPolarHBondContact CG-OG 3.28Å; V112-S116 VanDerWaalsContact O-CB 3.27Å; V112-S116 WeakPolarHBondContact O-CB 3.27Å; V112-S116 PolarHBondContact O-N 3.02Å
117C88.9Confident90Very high78 Ų7853 Ų5353%0.52730%0.302SS..THydrogen-bonded Turntrans-111.4-46.9-176.5-56.60000111.9R113R113-C117 PolarHBondContact O-N 3.42Å
118E90.4Very high90.1Very high58 Ų5855.9 Ų55.927%0.27132%0.315SS..  trans-83.8133.7-174.4-51.3-61.4161.600110.6R113 I127 F129R113-E118 IonicContact CZ-OE1 3.06Å; R113-E118 IonicContact NE-OE1 3.99Å; R113-E118 PolarHBondContact NE-OE1 3.07Å; R113-E118 IonicContact NH2-OE1 2.9Å; R113-E118 PolarHBondContact NH2-OE1 2.94Å; R113-E118 WeakPolarHBondContact O-CG 3.4Å; R113-E118 PolarHBondContact O-N 3.49Å; E118-I127 HydrophobicContact CB-CD1 3.96Å; E118-I127 HydrophobicContact CB-CG2 4.1Å; E118-F129 HydrophobicContact CB-CD1 4.47Å; E118-F129 HydrophobicContact CG-CB 4.45Å; E118-F129 HydrophobicContact CG-CD1 3.6Å; E118-F129 HydrophobicContact CG-CD2 4.46Å; E118-F129 HydrophobicContact CG-CE1 3.83Å; E118-F129 HydrophobicContact CG-CG 3.92Å; E118-F129 HydrophobicContact CG-CZ 4.37Å
119V87.6Confident90.2Very high124 Ų12453.3 Ų53.375%0.75231%0.306SS*.  trans-125127.4-175.4-172.10000110
120C83.1Confident90.2Very high15 Ų1551.6 Ų51.610%0.10131%0.305CS..  trans-104.7146.4169.656.70000111.1G122 R123 E124 I127 T141C120-G122 PolarHBondContact O-N 2.86Å; C120-R123 PolarHBondContact O-N 3.47Å; C120-R123 VanDerWaalsContact SG-CA 3.55Å; C120-E124 PolarHBondContact SG-N 3.5Å; C120-I127 HydrophobicContact CB-CD1 3.96Å; C120-I127 HydrophobicContact CB-CG1 4.1Å; C120-T141 PolarHBondContact SG-OG1 2.89Å
121P81Confident90.1Very high128 Ų12853.9 Ų53.983%0.83132%0.316SS*.G310 helixtrans-54.9129.4169.8-23.833.9000110.5R123P121-R123 VanDerWaalsContact C-N 3.25Å; P121-R123 PolarHBondContact O-N 3.27Å
122G75.4Confident89.9Confident71 Ų7162.1 Ų62.173%0.73236%0.355SS*.G310 helixtrans79-1.6-17600000115.4C120 E124C120-G122 PolarHBondContact O-N 2.86Å; G122-E124 PolarHBondContact O-N 3.39Å; G122-E124 VanDerWaalsContact O-N 3.1Å
123R79.1Confident89.6Confident148 Ų14867.5 Ų67.556%0.55838%0.376SS*.G310 helixtrans61.710.3176.6-64.1176.8175.6-151.75.6115.6C120 P121 F143 W155C120-R123 PolarHBondContact O-N 3.47Å; C120-R123 VanDerWaalsContact SG-CA 3.55Å; P121-R123 VanDerWaalsContact C-N 3.25Å; P121-R123 PolarHBondContact O-N 3.27Å; R123-F143 HydrophobicContact CB-CE2 3.78Å; R123-F143 HydrophobicContact CB-CZ 3.71Å; R123-W155 HydrophobicContact CB-CZ2 3.85Å; R123-W155 HydrophobicContact CG-CZ2 3.88Å; R123-W155 PolarHBondContact O-NE1 3.33Å
124E90.5Very high89.1Confident80 Ų8067.2 Ų67.237%0.37438%0.378SS..  trans-134.6123173.7174.6161.6-162.300109.1C120 G122 T141 F142 F143 Q187C120-E124 PolarHBondContact SG-N 3.5Å; G122-E124 PolarHBondContact O-N 3.39Å; G122-E124 VanDerWaalsContact O-N 3.1Å; E124-T141 WeakPolarHBondContact CA-O 3.4Å; E124-F142 HydrophobicContact CG-CB 4.29Å; E124-F143 HydrophobicContact CB-CD2 4.3Å; E124-F143 HydrophobicContact CB-CE2 4.47Å; E124-Q187 PolarHBondContact OE1-NE2 2.85Å
125G92.5Very high89Confident10 Ų1067.3 Ų67.310%0.10338%0.379CS..EExtended strand (participates in β ladder)trans156.3173.9178.300000114.9T141G125-T141 PolarHBondContact N-O 2.69Å; G125-T141 PolarHBondContact O-N 2.76Å; G125-T141 VanDerWaalsContact O-N 3.07Å; G125-T141 PolarHBondContact O-OG1 2.94Å
126P95.3Very high89.2Confident43 Ų4367.6 Ų67.628%0.27938%0.38SS..EExtended strand (participates in β ladder)trans-80.6142.2178.134.3-35000112.2F138 S139 W172 L176P126-F138 HydrophobicContact CB-CE2 4.46Å; P126-F138 HydrophobicContact CB-CZ 3.96Å; P126-S139 CarbonylContact C-O 3.56Å; P126-S139 VanDerWaalsContact CA-O 3.24Å; P126-S139 WeakPolarHBondContact CA-O 3.45Å; P126-W172 HydrophobicContact CB-CH2 3.71Å; P126-W172 HydrophobicContact CB-CZ2 3.65Å; P126-W172 HydrophobicContact CG-CH2 4.22Å; P126-W172 HydrophobicContact CG-CZ2 3.72Å; P126-L176 HydrophobicContact CB-CD1 3.79Å; P126-L176 HydrophobicContact CG-CD1 3.7Å; P126-L176 HydrophobicContact CG-CD2 4.24Å
127I95.3Very high89.5Confident22 Ų2264.6 Ų64.611%0.11336%0.358CS..EExtended strand (participates in β ladder)trans-137.5136.7178.8-49.9177000108E118 C120 F129 S139E118-I127 HydrophobicContact CB-CD1 3.96Å; E118-I127 HydrophobicContact CB-CG2 4.1Å; C120-I127 HydrophobicContact CB-CD1 3.96Å; C120-I127 HydrophobicContact CB-CG1 4.1Å; I127-F129 HydrophobicContact CG2-CD1 4.04Å; I127-S139 PolarHBondContact N-O 3.43Å; I127-S139 PolarHBondContact O-N 3.01Å
128F95.6Very high89.9Confident64 Ų6460.9 Ų60.928%0.28133%0.333SS..EExtended strand (participates in β ladder)trans-107.8131.4170-174.8-98.4000109.6F136 V137 R165 L168 I169 W172F128-F136 HydrophobicContact CE1-CD1 4.31Å; F128-F136 HydrophobicContact CE2-CB 4.33Å; F128-F136 HydrophobicContact CZ-CB 4.02Å; F128-F136 AromaticContact CZ-CD1 3.99Å; F128-F136 HydrophobicContact CZ-CD1 3.99Å; F128-F136 HydrophobicContact CZ-CG 4.3Å; F128-V137 WeakPolarHBondContact CA-O 3.39Å; F128-R165 HydrophobicContact CE1-CG 4.32Å; F128-R165 HydrophobicContact CZ-CG 3.89Å; F128-L168 HydrophobicContact CD2-CD2 4.37Å; F128-L168 HydrophobicContact CE2-CB 4.17Å; F128-L168 HydrophobicContact CE2-CD2 3.81Å; F128-L168 HydrophobicContact CE2-CG 4.13Å; F128-I169 HydrophobicContact CD2-CG1 4.34Å; F128-I169 HydrophobicContact CE1-CD1 4.15Å; F128-I169 HydrophobicContact CE1-CG1 4.24Å; F128-I169 HydrophobicContact CE2-CG1 3.81Å; F128-I169 HydrophobicContact CZ-CD1 3.98Å; F128-I169 HydrophobicContact CZ-CG1 3.77Å; F128-W172 HydrophobicContact CB-CE3 4.37Å; F128-W172 HydrophobicContact CB-CH2 4.36Å; F128-W172 HydrophobicContact CB-CZ3 3.63Å
129F95.4Very high90.1Very high13 Ų1358.1 Ų58.16%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-157.9166.3172.662.2-91.3000110.4R113 E118 I127 V137R113-F129 HydrophobicContact CB-CD2 4.25Å; R113-F129 HydrophobicContact CB-CE2 3.56Å; R113-F129 HydrophobicContact CB-CZ 3.92Å; R113-F129 HydrophobicContact CG-CE2 4.44Å; E118-F129 HydrophobicContact CB-CD1 4.47Å; E118-F129 HydrophobicContact CG-CB 4.45Å; E118-F129 HydrophobicContact CG-CD1 3.6Å; E118-F129 HydrophobicContact CG-CD2 4.46Å; E118-F129 HydrophobicContact CG-CE1 3.83Å; E118-F129 HydrophobicContact CG-CG 3.92Å; E118-F129 HydrophobicContact CG-CZ 4.37Å; I127-F129 HydrophobicContact CG2-CD1 4.04Å; F129-V137 HydrophobicContact CD2-CB 4.09Å; F129-V137 HydrophobicContact CD2-CG2 4.36Å; F129-V137 HydrophobicContact CE1-CB 4.29Å; F129-V137 HydrophobicContact CE1-CG1 4.11Å; F129-V137 HydrophobicContact CE2-CB 3.73Å; F129-V137 HydrophobicContact CE2-CG1 4.05Å; F129-V137 HydrophobicContact CE2-CG2 3.88Å; F129-V137 HydrophobicContact CZ-CB 3.85Å; F129-V137 HydrophobicContact CZ-CG1 3.68Å; F129-V137 HydrophobicContact CZ-CG2 4.37Å; F129-V137 PolarHBondContact N-O 2.95Å; F129-V137 WeakPolarHBondContact O-CA 3.33Å; F129-V137 WeakPolarHBondContact O-CB 3.24Å; F129-V137 PolarHBondContact O-N 2.85Å; F129-V137 VanDerWaalsContact O-O 3.09Å
130G93.4Very high90.6Very high27 Ų2752.6 Ų52.628%0.27829%0.286SS..EExtended strand (participates in β ladder)trans146.5179.6173.200000112.2G135G130-G135 WeakPolarHBondContact CA-O 3.34Å
131D92.2Very high91.2Very high52 Ų5252.3 Ų52.328%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-146171.9-179.259.449.2000110.1Q133 H134 G135D131-Q133 VanDerWaalsContact C-N 3.26Å; D131-Q133 PolarHBondContact O-N 3.26Å; D131-Q133 PolarHBondContact OD1-N 2.82Å; D131-H134 WeakPolarHBondContact OD1-CB 3.39Å; D131-H134 IonicContact OD1-CE1 3.28Å; D131-H134 IonicContact OD1-CG 3.96Å; D131-H134 PolarHBondContact OD1-N 3.47Å; D131-H134 IonicContact OD1-ND1 2.86Å; D131-H134 PolarHBondContact OD1-ND1 3.26Å; D131-H134 IonicContact OD2-CE1 2.71Å; D131-H134 IonicContact OD2-ND1 2.69Å; D131-H134 PolarHBondContact OD2-ND1 2.77Å; D131-G135 PolarHBondContact N-O 3.42Å; D131-G135 CarbonylContact O-C 3.57Å; D131-G135 VanDerWaalsContact O-CA 3.23Å; D131-G135 WeakPolarHBondContact O-CA 3.38Å; D131-G135 PolarHBondContact O-N 3.33Å
132E90.1Very high91.8Very high174 Ų17446.2 Ų46.281%0.81324%0.244SC*.THydrogen-bonded Turntrans-71.2-20.5-177.8-66.8178.4176.900113.2F136E132-F136 HydrophobicContact CG-CE2 4.47Å; E132-F136 HydrophobicContact CG-CZ 4.08Å
133Q86.4Confident92.7Very high163 Ų16344.4 Ų44.476%0.76222%0.217SC*.THydrogen-bonded Turntrans-83.9-38-176.6-66.6-177.4-11.500112.3D131D131-Q133 VanDerWaalsContact C-N 3.26Å; D131-Q133 PolarHBondContact O-N 3.26Å; D131-Q133 PolarHBondContact OD1-N 2.82Å
134H84.6Confident93.4Very high60 Ų6037.4 Ų37.428%0.27819%0.19SC..THydrogen-bonded Turntrans-111.5-1.4-174.9-48.798.9000112.5V106 Q109 D131V106-H134 WeakPolarHBondContact CG1-O 3.45Å; Q109-H134 VanDerWaalsContact CD-CD2 3.5Å; Q109-H134 PolarHBondContact NE2-CD2 2.9Å; Q109-H134 PolarHBondContact NE2-CE1 2.99Å; Q109-H134 VanDerWaalsContact NE2-CG 3.33Å; Q109-H134 PolarHBondContact NE2-ND1 3.49Å; Q109-H134 PolarHBondContact NE2-NE2 3.34Å; Q109-H134 PolarHBondContact OE1-CD2 2.83Å; Q109-H134 VanDerWaalsContact OE1-CG 3.26Å; Q109-H134 PolarHBondContact OE1-NE2 2.8Å; D131-H134 WeakPolarHBondContact OD1-CB 3.39Å; D131-H134 IonicContact OD1-CE1 3.28Å; D131-H134 IonicContact OD1-CG 3.96Å; D131-H134 PolarHBondContact OD1-N 3.47Å; D131-H134 IonicContact OD1-ND1 2.86Å; D131-H134 PolarHBondContact OD1-ND1 3.26Å; D131-H134 IonicContact OD2-CE1 2.71Å; D131-H134 IonicContact OD2-ND1 2.69Å; D131-H134 PolarHBondContact OD2-ND1 2.77Å
135G91.5Very high93.4Very high2 Ų237.3 Ų37.32%0.02119%0.188CC..EExtended strand (participates in β ladder)trans85.1168.5-177.600000113.7G130 D131G130-G135 WeakPolarHBondContact CA-O 3.34Å; D131-G135 PolarHBondContact N-O 3.42Å; D131-G135 CarbonylContact O-C 3.57Å; D131-G135 VanDerWaalsContact O-CA 3.23Å; D131-G135 WeakPolarHBondContact O-CA 3.38Å; D131-G135 PolarHBondContact O-N 3.33Å
136F95.4Very high93.3Very high20 Ų2036.9 Ų36.99%0.08818%0.184CC..EExtended strand (participates in β ladder)trans-94.4139.8177.5-59.4-81.9000110.6F128 E132 V161 A162 M163 R165 L168F128-F136 HydrophobicContact CE1-CD1 4.31Å; F128-F136 HydrophobicContact CE2-CB 4.33Å; F128-F136 HydrophobicContact CZ-CB 4.02Å; F128-F136 AromaticContact CZ-CD1 3.99Å; F128-F136 HydrophobicContact CZ-CD1 3.99Å; F128-F136 HydrophobicContact CZ-CG 4.3Å; E132-F136 HydrophobicContact CG-CE2 4.47Å; E132-F136 HydrophobicContact CG-CZ 4.08Å; F136-V161 WeakPolarHBondContact O-CA 3.43Å; F136-A162 WeakPolarHBondContact CA-O 3.47Å; F136-A162 PolarHBondContact N-O 2.83Å; F136-A162 PolarHBondContact O-N 3.41Å; F136-A162 VanDerWaalsContact O-O 3.06Å; F136-M163 WeakPolarHBondContact CD2-O 3.26Å; F136-R165 HydrophobicContact CD1-CB 4Å; F136-R165 HydrophobicContact CD1-CG 3.73Å; F136-R165 HydrophobicContact CD2-CB 3.66Å; F136-R165 HydrophobicContact CD2-CG 4.32Å; F136-R165 HydrophobicContact CE1-CB 3.93Å; F136-R165 HydrophobicContact CE1-CG 3.69Å; F136-R165 HydrophobicContact CE2-CB 3.59Å; F136-R165 HydrophobicContact CE2-CG 4.3Å; F136-R165 HydrophobicContact CG-CB 3.87Å; F136-R165 HydrophobicContact CG-CG 4.05Å; F136-R165 HydrophobicContact CZ-CB 3.73Å; F136-R165 HydrophobicContact CZ-CG 3.99Å; F136-L168 HydrophobicContact CB-CD2 4.18Å
137V96.2Very high92.9Very high5 Ų534.9 Ų34.93%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-125123.9-171.4-172.20000109.9A110 F128 F129 V159 L160 V161A110-V137 HydrophobicContact CB-CG1 4.19Å; A110-V137 HydrophobicContact CB-CG2 3.8Å; F128-V137 WeakPolarHBondContact CA-O 3.39Å; F129-V137 HydrophobicContact CD2-CB 4.09Å; F129-V137 HydrophobicContact CD2-CG2 4.36Å; F129-V137 HydrophobicContact CE1-CB 4.29Å; F129-V137 HydrophobicContact CE1-CG1 4.11Å; F129-V137 HydrophobicContact CE2-CB 3.73Å; F129-V137 HydrophobicContact CE2-CG1 4.05Å; F129-V137 HydrophobicContact CE2-CG2 3.88Å; F129-V137 HydrophobicContact CZ-CB 3.85Å; F129-V137 HydrophobicContact CZ-CG1 3.68Å; F129-V137 HydrophobicContact CZ-CG2 4.37Å; F129-V137 PolarHBondContact N-O 2.95Å; F129-V137 WeakPolarHBondContact O-CA 3.33Å; F129-V137 WeakPolarHBondContact O-CB 3.24Å; F129-V137 PolarHBondContact O-N 2.85Å; F129-V137 VanDerWaalsContact O-O 3.09Å; V137-V159 HydrophobicContact CG1-CB 4.01Å; V137-V159 HydrophobicContact CG1-CG1 4.38Å; V137-L160 WeakPolarHBondContact CA-O 3.39Å; V137-V161 HydrophobicContact CG1-CG2 4.43Å; V137-V161 HydrophobicContact CG2-CG1 4.39Å; V137-V161 HydrophobicContact CG2-CG2 4.18Å
138F96.3Very high92.3Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-95.6118.8161.9178.5-75.9000107.4P126 H140 V159 L160 L168 W172 L175 L176 L179P126-F138 HydrophobicContact CB-CE2 4.46Å; P126-F138 HydrophobicContact CB-CZ 3.96Å; F138-H140 HydrophobicContact CE1-CB 4.4Å; F138-V159 CarbonylContact O-C 3.54Å; F138-V159 WeakPolarHBondContact O-CA 3.31Å; F138-L160 HydrophobicContact CB-CB 4.27Å; F138-L160 PolarHBondContact N-O 3.12Å; F138-L160 PolarHBondContact O-N 3.15Å; F138-L168 HydrophobicContact CB-CD1 4.14Å; F138-L168 HydrophobicContact CB-CD2 3.91Å; F138-L168 HydrophobicContact CB-CG 4.04Å; F138-W172 HydrophobicContact CD2-CD2 4.09Å; F138-W172 AromaticContact CD2-CE3 3.31Å; F138-W172 HydrophobicContact CD2-CE3 3.31Å; F138-W172 HydrophobicContact CD2-CH2 4.39Å; F138-W172 AromaticContact CD2-CZ3 3.43Å; F138-W172 HydrophobicContact CD2-CZ3 3.43Å; F138-W172 VanDerWaalsContact CD2-CZ3 3.43Å; F138-W172 AromaticContact CE2-CD2 3.53Å; F138-W172 HydrophobicContact CE2-CD2 3.53Å; F138-W172 AromaticContact CE2-CE3 3.21Å; F138-W172 HydrophobicContact CE2-CE3 3.21Å; F138-W172 HydrophobicContact CE2-CG 4.15Å; F138-W172 AromaticContact CE2-CH2 3.99Å; F138-W172 HydrophobicContact CE2-CH2 3.99Å; F138-W172 HydrophobicContact CE2-CZ2 4.3Å; F138-W172 AromaticContact CE2-CZ3 3.39Å; F138-W172 HydrophobicContact CE2-CZ3 3.39Å; F138-W172 HydrophobicContact CZ-CE3 4.46Å; F138-W172 HydrophobicContact CZ-CZ3 4.42Å; F138-L175 HydrophobicContact CB-CD1 4.47Å; F138-L175 HydrophobicContact CD2-CD1 4.32Å; F138-L175 HydrophobicContact CE1-CB 4.37Å; F138-L175 HydrophobicContact CE2-CB 4.32Å; F138-L175 HydrophobicContact CG-CD1 4.26Å; F138-L175 HydrophobicContact CZ-CB 4.24Å; F138-L176 HydrophobicContact CZ-CB 4.15Å; F138-L176 HydrophobicContact CZ-CD1 4.43Å; F138-L179 HydrophobicContact CD1-CD1 3.7Å; F138-L179 HydrophobicContact CE1-CD1 3.32Å; F138-L179 HydrophobicContact CZ-CD1 4.36Å
139S95.9Very high91.7Very high0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-119.7137.8-177.1169.20000110S114 P126 I127 S157 I158S114-S139 PolarHBondContact OG-OG 3.01Å; P126-S139 CarbonylContact C-O 3.56Å; P126-S139 VanDerWaalsContact CA-O 3.24Å; P126-S139 WeakPolarHBondContact CA-O 3.45Å; I127-S139 PolarHBondContact N-O 3.43Å; I127-S139 PolarHBondContact O-N 3.01Å; S139-S157 PolarHBondContact OG-OG 2.76Å; S139-I158 CarbonylContact C-O 3.52Å; S139-I158 WeakPolarHBondContact CA-O 3.43Å
140H96.6Very high90.9Very high7 Ų742.8 Ų42.83%0.03220%0.201CC..EExtended strand (participates in β ladder)trans-125.9106.7169.8-161.4109.2000109.8F138 S157 I158 L176 I183F138-H140 HydrophobicContact CE1-CB 4.4Å; H140-S157 VanDerWaalsContact O-CA 3.31Å; H140-S157 WeakPolarHBondContact O-CA 3.42Å; H140-S157 PolarHBondContact O-OG 2.95Å; H140-I158 PolarHBondContact N-O 3.14Å; H140-I158 PolarHBondContact O-N 3.45Å; H140-L176 WeakPolarHBondContact ND1-CD1 3.39Å; H140-I183 HydrophobicContact CB-CD1 4.08Å; H140-I183 WeakPolarHBondContact CD2-CD1 3.49Å
141T95.7Very high90.3Very high9 Ų944.1 Ų44.16%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-85.5142.417858.20000110.1C120 E124 G125 Y156C120-T141 PolarHBondContact SG-OG1 2.89Å; E124-T141 WeakPolarHBondContact CA-O 3.4Å; G125-T141 PolarHBondContact N-O 2.69Å; G125-T141 PolarHBondContact O-N 2.76Å; G125-T141 VanDerWaalsContact O-N 3.07Å; G125-T141 PolarHBondContact O-OG1 2.94Å; T141-Y156 WeakPolarHBondContact CA-O 3.45Å
142F95.3Very high90.1Very high0 Ų043.5 Ų43.50%021%0.21CC..EExtended strand (participates in β ladder)trans-154.9162.4-178.965.9-77.5000111.7L7 E124 I144 Y156 I158 I183 L186 Q187L7-F142 HydrophobicContact CD1-CE1 4.31Å; L7-F142 HydrophobicContact CD1-CZ 4.11Å; E124-F142 HydrophobicContact CG-CB 4.29Å; F142-I144 HydrophobicContact CD2-CG1 4.07Å; F142-I144 HydrophobicContact CE2-CD1 3.83Å; F142-I144 HydrophobicContact CE2-CG1 3.71Å; F142-Y156 HydrophobicContact CE2-CG 4.48Å; F142-Y156 VanDerWaalsContact CZ-CB 3.43Å; F142-Y156 HydrophobicContact CZ-CG 4.29Å; F142-Y156 PolarHBondContact N-O 3.19Å; F142-Y156 PolarHBondContact O-N 3.46Å; F142-Y156 VanDerWaalsContact O-O 3.08Å; F142-I158 HydrophobicContact CE1-CD1 4.39Å; F142-I158 HydrophobicContact CE1-CG1 3.98Å; F142-I183 HydrophobicContact CB-CD1 4.42Å; F142-I183 HydrophobicContact CB-CG2 3.75Å; F142-I183 HydrophobicContact CD1-CD1 3.76Å; F142-I183 HydrophobicContact CD1-CG1 3.83Å; F142-I183 HydrophobicContact CD1-CG2 4.29Å; F142-I183 HydrophobicContact CD2-CG1 4.38Å; F142-I183 HydrophobicContact CD2-CG2 3.63Å; F142-I183 HydrophobicContact CE1-CD1 4.24Å; F142-I183 HydrophobicContact CE1-CG1 3.96Å; F142-I183 HydrophobicContact CE2-CG1 4.43Å; F142-I183 HydrophobicContact CE2-CG2 4.25Å; F142-I183 HydrophobicContact CG-CB 4.47Å; F142-I183 HydrophobicContact CG-CD1 4.15Å; F142-I183 HydrophobicContact CG-CG1 4.07Å; F142-I183 HydrophobicContact CG-CG2 3.63Å; F142-I183 HydrophobicContact CZ-CG1 4.24Å; F142-L186 HydrophobicContact CE2-CD1 4.27Å; F142-L186 HydrophobicContact CZ-CD1 4.08Å; F142-Q187 HydrophobicContact CD2-CG 4.37Å
143F93.8Very high90Very high34 Ų3438.7 Ų38.715%0.14919%0.187CC..EExtended strand (participates in β ladder)trans-105.6143.4176.9-67-75.3000111.9R123 E124 Q153 R154 W155 Q187R123-F143 HydrophobicContact CB-CE2 3.78Å; R123-F143 HydrophobicContact CB-CZ 3.71Å; E124-F143 HydrophobicContact CB-CD2 4.3Å; E124-F143 HydrophobicContact CB-CE2 4.47Å; F143-Q153 HydrophobicContact CB-CG 4.41Å; F143-Q153 HydrophobicContact CD1-CB 4.07Å; F143-R154 WeakPolarHBondContact CA-O 3.33Å; F143-W155 AromaticContact CD1-CD1 3.38Å; F143-W155 HydrophobicContact CD1-CG 4.07Å; F143-W155 AromaticContact CD1-NE1 3.81Å; F143-W155 AromaticContact CE1-CD1 3Å; F143-W155 AromaticContact CE1-CD2 3.96Å; F143-W155 HydrophobicContact CE1-CD2 3.96Å; F143-W155 AromaticContact CE1-CE2 3.62Å; F143-W155 AromaticContact CE1-CG 3.61Å; F143-W155 HydrophobicContact CE1-CG 3.61Å; F143-W155 AromaticContact CE1-NE1 3Å; F143-W155 AromaticContact CE2-NE1 3.78Å; F143-W155 AromaticContact CZ-CD1 3.52Å; F143-W155 HydrophobicContact CZ-CD2 4.43Å; F143-W155 AromaticContact CZ-CE2 3.63Å; F143-W155 HydrophobicContact CZ-CG 4.37Å; F143-W155 HydrophobicContact CZ-CZ2 4.23Å; F143-W155 AromaticContact CZ-NE1 2.98Å; F143-Q187 WeakPolarHBondContact O-CG 3.23Å; F143-Q187 PolarHBondContact O-NE2 2.74Å
144I93.6Very high90.1Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-114.2136167.5-62.5-173.7000108.3F142 Q153 R154 Y156 L186 A190 L229F142-I144 HydrophobicContact CD2-CG1 4.07Å; F142-I144 HydrophobicContact CE2-CD1 3.83Å; F142-I144 HydrophobicContact CE2-CG1 3.71Å; I144-Q153 CarbonylContact O-C 3.56Å; I144-Q153 WeakPolarHBondContact O-CA 3.46Å; I144-R154 PolarHBondContact N-O 3.4Å; I144-R154 PolarHBondContact O-N 3.36Å; I144-Y156 HydrophobicContact CB-CD2 4Å; I144-Y156 HydrophobicContact CB-CE2 3.98Å; I144-Y156 HydrophobicContact CD1-CD2 3.6Å; I144-Y156 HydrophobicContact CD1-CE2 3.7Å; I144-Y156 HydrophobicContact CD1-CG 4.06Å; I144-Y156 HydrophobicContact CG1-CD2 3.7Å; I144-Y156 HydrophobicContact CG1-CE2 4.03Å; I144-Y156 HydrophobicContact CG1-CG 4.42Å; I144-L186 HydrophobicContact CD1-CB 4.5Å; I144-A190 HydrophobicContact CG2-CB 3.32Å; I144-L229 HydrophobicContact CD1-CD1 3.55Å
145K91.3Very high90.4Very high78 Ų7832 Ų3234%0.33915%0.153SC..EExtended strand (participates in β ladder)trans-73.1137.4176.9-66.7-67-174.91790110.8F152 Q153 L191 F194K145-F152 WeakPolarHBondContact CA-O 3.23Å; K145-F152 WeakPolarHBondContact CD-O 3.46Å; K145-Q153 HydrophobicContact CD-CG 3.9Å; K145-L191 HydrophobicContact CG-CD1 4.08Å; K145-F194 HydrophobicContact CB-CB 3.99Å; K145-F194 HydrophobicContact CB-CD1 4.44Å; K145-F194 HydrophobicContact CB-CD2 3.96Å; K145-F194 HydrophobicContact CB-CG 3.88Å
146D89.9Confident90.6Very high1 Ų132.1 Ų32.11%0.00515%0.153CC..  trans-144.5118.3178.9175.90.4000108.9L148 A149 F152 R154 R227 L232D146-L148 PolarHBondContact O-N 2.87Å; D146-L148 PolarHBondContact OD1-N 2.8Å; D146-A149 HydrophobicContact CB-CB 3.64Å; D146-A149 PolarHBondContact O-N 3.3Å; D146-A149 PolarHBondContact OD1-N 3.25Å; D146-A149 WeakPolarHBondContact OD2-CB 3.49Å; D146-F152 PolarHBondContact N-O 2.98Å; D146-F152 CarbonylContact O-C 3.59Å; D146-F152 WeakPolarHBondContact O-CA 3.16Å; D146-R154 HydrophobicContact CB-CG 3.76Å; D146-R154 IonicContact OD2-CZ 3.53Å; D146-R154 IonicContact OD2-NE 2.83Å; D146-R154 PolarHBondContact OD2-NE 3.24Å; D146-R154 IonicContact OD2-NH2 3.32Å; D146-R154 PolarHBondContact OD2-NH2 2.87Å; D146-R227 IonicContact OD1-CZ 4Å; D146-R227 IonicContact OD1-NE 3.23Å; D146-R227 PolarHBondContact OD1-NE 2.93Å; D146-R227 IonicContact OD1-NH2 2.67Å; D146-R227 PolarHBondContact OD1-NH2 3.45Å; D146-L232 HydrophobicContact CB-CD2 3.84Å
147S86.4Confident90.6Very high2 Ų231.1 Ų31.11%0.01415%0.148CC..THydrogen-bonded Turntrans-63.2-29.4-176.468.20000112.8F152 E197 R227S147-F152 WeakPolarHBondContact O-CD1 3.16Å; S147-F152 WeakPolarHBondContact O-CE1 3.47Å; S147-E197 VanDerWaalsContact CB-OE2 3.28Å; S147-E197 WeakPolarHBondContact CB-OE2 3.21Å; S147-E197 PolarHBondContact OG-OE2 3.14Å; S147-R227 PolarHBondContact OG-NH2 2.91Å
148L83Confident90.7Very high57 Ų5730.9 Ų30.930%0.29815%0.147SC..THydrogen-bonded Turntrans-96-9.6-176.7-59.1-177.9000113D146 Q203 R207D146-L148 PolarHBondContact O-N 2.87Å; D146-L148 PolarHBondContact OD1-N 2.8Å; L148-Q203 HydrophobicContact CD2-CG 4.19Å; L148-R207 PolarHBondContact O-NH2 2.91Å
149A82.6Confident90.7Very high1 Ų130.9 Ų30.91%0.00815%0.147CC..SBendtrans-74.9156175.900000112.4D146 G151 F152 R154 R207D146-A149 HydrophobicContact CB-CB 3.64Å; D146-A149 PolarHBondContact O-N 3.3Å; D146-A149 PolarHBondContact OD1-N 3.25Å; D146-A149 WeakPolarHBondContact OD2-CB 3.49Å; A149-G151 PolarHBondContact O-N 3.47Å; A149-F152 PolarHBondContact O-N 3.25Å; A149-R154 HydrophobicContact CB-CG 4.1Å; A149-R207 PolarHBondContact O-NH1 3.46Å; A149-R207 PolarHBondContact O-NH2 2.74Å
150R79Confident90.6Very high206 Ų20630.9 Ų30.978%0.77715%0.147SC*.G310 helixtrans-66.4131.4167.1-174.3177.8177.9127.11108.8F152R150-F152 PolarHBondContact O-N 2.71Å
151G80.9Confident90.5Very high55 Ų5531 Ų3157%0.56715%0.148SC*.G310 helixtrans7010.8-17700000115.1A149 Q153A149-G151 PolarHBondContact O-N 3.47Å; G151-Q153 PolarHBondContact O-N 2.86Å
152F86.7Confident90.4Very high39 Ų3930.9 Ų30.917%0.17115%0.148CC..G310 helixtrans59.420.6-179.9-57.5-60.5000115.5K145 D146 S147 A149 R150 F194 Q203 R204K145-F152 WeakPolarHBondContact CA-O 3.23Å; K145-F152 WeakPolarHBondContact CD-O 3.46Å; D146-F152 PolarHBondContact N-O 2.98Å; D146-F152 CarbonylContact O-C 3.59Å; D146-F152 WeakPolarHBondContact O-CA 3.16Å; S147-F152 WeakPolarHBondContact O-CD1 3.16Å; S147-F152 WeakPolarHBondContact O-CE1 3.47Å; A149-F152 PolarHBondContact O-N 3.25Å; R150-F152 PolarHBondContact O-N 2.71Å; F152-F194 HydrophobicContact CB-CE2 3.84Å; F152-F194 HydrophobicContact CB-CZ 4.11Å; F152-F194 AromaticContact CD1-CE2 3.9Å; F152-F194 HydrophobicContact CD1-CE2 3.9Å; F152-F194 HydrophobicContact CD1-CZ 4.29Å; F152-F194 HydrophobicContact CG-CE2 4.07Å; F152-F194 HydrophobicContact CG-CZ 4.2Å; F152-Q203 HydrophobicContact CE1-CB 4.35Å; F152-R204 HydrophobicContact CZ-CB 4.02Å; F152-R204 HydrophobicContact CZ-CG 4.36Å
153Q88.1Confident90.2Very high73 Ų7336.3 Ų36.334%0.34118%0.175SC..EExtended strand (participates in β ladder)trans-141.1146.9-174.6-75174.7-25.400111.4F143 I144 K145 G151F143-Q153 HydrophobicContact CB-CG 4.41Å; F143-Q153 HydrophobicContact CD1-CB 4.07Å; I144-Q153 CarbonylContact O-C 3.56Å; I144-Q153 WeakPolarHBondContact O-CA 3.46Å; K145-Q153 HydrophobicContact CD-CG 3.9Å; G151-Q153 PolarHBondContact O-N 2.86Å
154R89.8Confident90Very high15 Ų1538.8 Ų38.86%0.05719%0.19CC..EExtended strand (participates in β ladder)trans-121.2143.3172-67.9-76.9-172.3179.6-2.8109.2F143 I144 D146 A149 Y156F143-R154 WeakPolarHBondContact CA-O 3.33Å; I144-R154 PolarHBondContact N-O 3.4Å; I144-R154 PolarHBondContact O-N 3.36Å; D146-R154 HydrophobicContact CB-CG 3.76Å; D146-R154 IonicContact OD2-CZ 3.53Å; D146-R154 IonicContact OD2-NE 2.83Å; D146-R154 PolarHBondContact OD2-NE 3.24Å; D146-R154 IonicContact OD2-NH2 3.32Å; D146-R154 PolarHBondContact OD2-NH2 2.87Å; A149-R154 HydrophobicContact CB-CG 4.1Å; R154-Y156 HydrophobicContact CB-CD2 4.18Å; R154-Y156 HydrophobicContact CB-CE2 3.58Å
155W90.3Very high90Very high69 Ų6945 Ų4526%0.26121%0.213SC..EExtended strand (participates in β ladder)trans-95.3124.6-176.4-117.5-19000111.7H9 F10 R123 F143H9-W155 WeakPolarHBondContact CA-O 3.47Å; F10-W155 HydrophobicContact CB-CB 3.91Å; F10-W155 PolarHBondContact N-O 3.16Å; R123-W155 HydrophobicContact CB-CZ2 3.85Å; R123-W155 HydrophobicContact CG-CZ2 3.88Å; R123-W155 PolarHBondContact O-NE1 3.33Å; F143-W155 AromaticContact CD1-CD1 3.38Å; F143-W155 HydrophobicContact CD1-CG 4.07Å; F143-W155 AromaticContact CD1-NE1 3.81Å; F143-W155 AromaticContact CE1-CD1 3Å; F143-W155 AromaticContact CE1-CD2 3.96Å; F143-W155 HydrophobicContact CE1-CD2 3.96Å; F143-W155 AromaticContact CE1-CE2 3.62Å; F143-W155 AromaticContact CE1-CG 3.61Å; F143-W155 HydrophobicContact CE1-CG 3.61Å; F143-W155 AromaticContact CE1-NE1 3Å; F143-W155 AromaticContact CE2-NE1 3.78Å; F143-W155 AromaticContact CZ-CD1 3.52Å; F143-W155 HydrophobicContact CZ-CD2 4.43Å; F143-W155 AromaticContact CZ-CE2 3.63Å; F143-W155 HydrophobicContact CZ-CG 4.37Å; F143-W155 HydrophobicContact CZ-CZ2 4.23Å; F143-W155 AromaticContact CZ-NE1 2.98Å
156Y95.1Very high90Very high3 Ų345.5 Ų45.51%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-129.1160.6177.6-71.6-94.2000110.8L7 C8 H9 L19 T141 F142 I144 R154 L229L7-Y156 HydrophobicContact CD1-CD1 4.47Å; C8-Y156 CarbonylContact O-C 3.46Å; C8-Y156 WeakPolarHBondContact O-CA 3.39Å; H9-Y156 HydrophobicContact CB-CD1 3.49Å; H9-Y156 VanDerWaalsContact CB-CD1 3.49Å; H9-Y156 HydrophobicContact CB-CE1 3.42Å; H9-Y156 VanDerWaalsContact CB-CE1 3.42Å; H9-Y156 HydrophobicContact CB-CG 4.24Å; L19-Y156 HydrophobicContact CD1-CD1 4.3Å; L19-Y156 HydrophobicContact CD1-CE1 3.7Å; T141-Y156 WeakPolarHBondContact CA-O 3.45Å; F142-Y156 HydrophobicContact CE2-CG 4.48Å; F142-Y156 VanDerWaalsContact CZ-CB 3.43Å; F142-Y156 HydrophobicContact CZ-CG 4.29Å; F142-Y156 PolarHBondContact N-O 3.19Å; F142-Y156 PolarHBondContact O-N 3.46Å; F142-Y156 VanDerWaalsContact O-O 3.08Å; I144-Y156 HydrophobicContact CB-CD2 4Å; I144-Y156 HydrophobicContact CB-CE2 3.98Å; I144-Y156 HydrophobicContact CD1-CD2 3.6Å; I144-Y156 HydrophobicContact CD1-CE2 3.7Å; I144-Y156 HydrophobicContact CD1-CG 4.06Å; I144-Y156 HydrophobicContact CG1-CD2 3.7Å; I144-Y156 HydrophobicContact CG1-CE2 4.03Å; I144-Y156 HydrophobicContact CG1-CG 4.42Å; R154-Y156 HydrophobicContact CB-CD2 4.18Å; R154-Y156 HydrophobicContact CB-CE2 3.58Å; Y156-L229 HydrophobicContact CE1-CD1 4.03Å; Y156-L229 HydrophobicContact CE1-CD2 4.47Å; Y156-L229 HydrophobicContact CE2-CD1 4.48Å
157S96.4Very high90Very high0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-148.3135.2174.2-178.60000110.6C8 S114 S139 H140C8-S157 PolarHBondContact N-O 2.91Å; C8-S157 PolarHBondContact O-N 3.27Å; S114-S157 WeakPolarHBondContact OG-CB 3.36Å; S114-S157 PolarHBondContact OG-OG 3.49Å; S139-S157 PolarHBondContact OG-OG 2.76Å; H140-S157 VanDerWaalsContact O-CA 3.31Å; H140-S157 WeakPolarHBondContact O-CA 3.42Å; H140-S157 PolarHBondContact O-OG 2.95Å
158I97.3Very high90.2Very high0 Ų047.1 Ų47.10%023%0.225CC..EExtended strand (participates in β ladder)trans-98.4122.7164.6-60.1168.6000107.7V5 A6 L7 S139 H140 F142 L179 T182 I183 F246V5-I158 HydrophobicContact CG1-CG2 3.9Å; A6-I158 CarbonylContact O-C 3.54Å; A6-I158 WeakPolarHBondContact O-CA 3.16Å; L7-I158 HydrophobicContact CD1-CG1 3.72Å; S139-I158 CarbonylContact C-O 3.52Å; S139-I158 WeakPolarHBondContact CA-O 3.43Å; H140-I158 PolarHBondContact N-O 3.14Å; H140-I158 PolarHBondContact O-N 3.45Å; F142-I158 HydrophobicContact CE1-CD1 4.39Å; F142-I158 HydrophobicContact CE1-CG1 3.98Å; I158-L179 HydrophobicContact CB-CD2 4.14Å; I158-L179 HydrophobicContact CD1-CD2 4.11Å; I158-L179 HydrophobicContact CG2-CD2 3.49Å; I158-L179 VanDerWaalsContact CG2-CD2 3.49Å; I158-T182 HydrophobicContact CD1-CG2 4.24Å; I158-I183 HydrophobicContact CD1-CD1 4.3Å; I158-I183 HydrophobicContact CD1-CG1 3.8Å; I158-F246 HydrophobicContact CD1-CE1 4.28Å; I158-F246 HydrophobicContact CD1-CZ 4.41Å; I158-F246 HydrophobicContact CG1-CZ 4.38Å; I158-F246 HydrophobicContact CG2-CE1 4.17Å; I158-F246 HydrophobicContact CG2-CZ 4.08Å
159V96.1Very high90.7Very high0 Ų048 Ų480%023%0.229CC..EExtended strand (participates in β ladder)trans-112.9140.9178.2-57.40000110.3V5 A6 V137 F138V5-V159 CarbonylContact C-O 3.51Å; V5-V159 WeakPolarHBondContact CA-O 3.44Å; A6-V159 HydrophobicContact CB-CG2 3.81Å; A6-V159 PolarHBondContact N-O 3.28Å; A6-V159 WeakPolarHBondContact O-CG2 3.36Å; A6-V159 PolarHBondContact O-N 3.11Å; V137-V159 HydrophobicContact CG1-CB 4.01Å; V137-V159 HydrophobicContact CG1-CG1 4.38Å; F138-V159 CarbonylContact O-C 3.54Å; F138-V159 WeakPolarHBondContact O-CA 3.31Å
160L95.4Very high91.2Very high0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-122117.3173.7-155.5123000107.4M1 A3 L4 V5 V137 F138 L168 L175 L249M1-L160 HydrophobicContact CE-CD2 4.14Å; A3-L160 HydrophobicContact CB-CD2 4.28Å; L4-L160 CarbonylContact O-C 3.42Å; L4-L160 WeakPolarHBondContact O-CA 3.42Å; V5-L160 HydrophobicContact CB-CD1 4.29Å; V5-L160 HydrophobicContact CG1-CD1 4.2Å; V5-L160 HydrophobicContact CG2-CD1 3.42Å; V5-L160 VanDerWaalsContact CG2-CD1 3.42Å; V5-L160 HydrophobicContact CG2-CG 4.11Å; V137-L160 WeakPolarHBondContact CA-O 3.39Å; F138-L160 HydrophobicContact CB-CB 4.27Å; F138-L160 PolarHBondContact N-O 3.12Å; F138-L160 PolarHBondContact O-N 3.15Å; L160-L168 HydrophobicContact CD2-CD1 3.49Å; L160-L168 VanDerWaalsContact CD2-CD1 3.49Å; L160-L175 HydrophobicContact CD1-CD2 4.07Å; L160-L175 HydrophobicContact CD2-CD1 4.02Å; L160-L175 HydrophobicContact CD2-CD2 4.23Å; L160-L249 HydrophobicContact CD1-CD2 3.79Å; L160-L249 HydrophobicContact CD1-CG 4.46Å
161V94.4Very high91.9Very high9 Ų942.6 Ų42.66%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-106.6128.3-177.1-171.90000109.1A3 L4 V106 A110 F136 V137A3-V161 CarbonylContact C-O 3.53Å; A3-V161 VanDerWaalsContact CA-O 3.25Å; A3-V161 WeakPolarHBondContact CA-O 3.45Å; L4-V161 PolarHBondContact N-O 3.23Å; L4-V161 PolarHBondContact O-N 3.37Å; V106-V161 HydrophobicContact CG1-CG1 3.7Å; A110-V161 HydrophobicContact CB-CG2 3.95Å; F136-V161 WeakPolarHBondContact O-CA 3.43Å; V137-V161 HydrophobicContact CG1-CG2 4.43Å; V137-V161 HydrophobicContact CG2-CG1 4.39Å; V137-V161 HydrophobicContact CG2-CG2 4.18Å
162A92.9Very high92.6Very high6 Ų643.5 Ų43.55%0.0520%0.201CC..EExtended strand (participates in β ladder)trans-142.9152176.100000110.3A3 F136 L168A3-A162 HydrophobicContact CB-CB 4.2Å; F136-A162 WeakPolarHBondContact CA-O 3.47Å; F136-A162 PolarHBondContact N-O 2.83Å; F136-A162 PolarHBondContact O-N 3.41Å; F136-A162 VanDerWaalsContact O-O 3.06Å; A162-L168 HydrophobicContact CB-CD1 4.26Å; A162-L168 HydrophobicContact CB-CD2 4.48Å
163M90.3Very high93Very high115 Ų11545.8 Ų45.857%0.56722%0.22SC*.SBendtrans-80.6-24177.8-65.6-58.6-179.900113.1F136F136-M163 WeakPolarHBondContact CD2-O 3.26Å
164D91Very high93.3Very high86 Ų8644.2 Ų44.246%0.4621%0.212SC..  trans-91.1111.5179.6-174.9-19.6000111.6I166 Y167 L168D164-I166 PolarHBondContact OD1-N 2.85Å; D164-Y167 PolarHBondContact OD1-N 3.08Å; D164-Y167 VanDerWaalsContact OD2-CB 3.32Å; D164-Y167 WeakPolarHBondContact OD2-CB 3.39Å; D164-L168 PolarHBondContact O-N 3.06Å
165R92.4Very high93.5Very high129 Ų12943.5 Ų43.549%0.48721%0.209SC..Hα-helixtrans-59.6-50.8176.6-168.3178.870.5177-1.5112.6F128 F136 L168 I169F128-R165 HydrophobicContact CE1-CG 4.32Å; F128-R165 HydrophobicContact CZ-CG 3.89Å; F136-R165 HydrophobicContact CD1-CB 4Å; F136-R165 HydrophobicContact CD1-CG 3.73Å; F136-R165 HydrophobicContact CD2-CB 3.66Å; F136-R165 HydrophobicContact CD2-CG 4.32Å; F136-R165 HydrophobicContact CE1-CB 3.93Å; F136-R165 HydrophobicContact CE1-CG 3.69Å; F136-R165 HydrophobicContact CE2-CB 3.59Å; F136-R165 HydrophobicContact CE2-CG 4.3Å; F136-R165 HydrophobicContact CG-CB 3.87Å; F136-R165 HydrophobicContact CG-CG 4.05Å; F136-R165 HydrophobicContact CZ-CB 3.73Å; F136-R165 HydrophobicContact CZ-CG 3.99Å; R165-L168 PolarHBondContact O-N 3.12Å; R165-I169 HydrophobicContact CG-CD1 3.92Å; R165-I169 VanDerWaalsContact O-CG1 3.3Å; R165-I169 WeakPolarHBondContact O-CG1 3.16Å; R165-I169 PolarHBondContact O-N 3.47Å; R165-I169 VanDerWaalsContact O-N 3.11Å
166I91.5Very high93.8Very high89 Ų8941.7 Ų41.746%0.45621%0.205SC..Hα-helixtrans-71-42.6-168.8-58.5-57.2000109.3D164 L168 I169 N170D164-I166 PolarHBondContact OD1-N 2.85Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.39Å; I166-I169 PolarHBondContact O-N 3.18Å; I166-N170 WeakPolarHBondContact O-CB 3.18Å; I166-N170 VanDerWaalsContact O-CG 3.29Å; I166-N170 PolarHBondContact O-N 2.87Å; I166-N170 PolarHBondContact O-ND2 3.4Å
167Y89.8Confident93.8Very high38 Ų3850.1 Ų50.115%0.14924%0.237CC..Hα-helixtrans-61.7-40176.5174.3-95.6000112.4M1 D164 N170 S171 S253 L257M1-Y167 HydrophobicContact CB-CE1 4.48Å; M1-Y167 HydrophobicContact CE-CD1 4.38Å; M1-Y167 HydrophobicContact CE-CE1 3.28Å; M1-Y167 WeakPolarHBondContact CE-OH 3.43Å; M1-Y167 HydrophobicContact CG-CE1 3.61Å; M1-Y167 HydrophobicContact SD-CE1 4.02Å; D164-Y167 PolarHBondContact OD1-N 3.08Å; D164-Y167 VanDerWaalsContact OD2-CB 3.32Å; D164-Y167 WeakPolarHBondContact OD2-CB 3.39Å; Y167-N170 PolarHBondContact O-N 3.45Å; Y167-S171 VanDerWaalsContact O-CB 3.23Å; Y167-S171 WeakPolarHBondContact O-CB 3.5Å; Y167-S171 PolarHBondContact O-N 3.37Å; Y167-S171 PolarHBondContact O-OG 2.66Å; Y167-S253 PolarHBondContact OH-O 3.45Å; Y167-L257 HydrophobicContact CD2-CD1 4.08Å; Y167-L257 HydrophobicContact CE2-CD1 4.14Å
168L92.1Very high93.7Very high0 Ų051.8 Ų51.80%024%0.244CC..Hα-helixtrans-67.4-39.7177.9-161.864.6000112.1F128 F136 F138 L160 A162 D164 R165 I166 S171 W172 L175F128-L168 HydrophobicContact CD2-CD2 4.37Å; F128-L168 HydrophobicContact CE2-CB 4.17Å; F128-L168 HydrophobicContact CE2-CD2 3.81Å; F128-L168 HydrophobicContact CE2-CG 4.13Å; F136-L168 HydrophobicContact CB-CD2 4.18Å; F138-L168 HydrophobicContact CB-CD1 4.14Å; F138-L168 HydrophobicContact CB-CD2 3.91Å; F138-L168 HydrophobicContact CB-CG 4.04Å; L160-L168 HydrophobicContact CD2-CD1 3.49Å; L160-L168 VanDerWaalsContact CD2-CD1 3.49Å; A162-L168 HydrophobicContact CB-CD1 4.26Å; A162-L168 HydrophobicContact CB-CD2 4.48Å; D164-L168 PolarHBondContact O-N 3.06Å; R165-L168 PolarHBondContact O-N 3.12Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.39Å; L168-S171 CarbonylContact O-C 3.54Å; L168-S171 WeakPolarHBondContact O-CA 3.39Å; L168-S171 PolarHBondContact O-N 3.47Å; L168-W172 PolarHBondContact O-N 3.02Å; L168-W172 VanDerWaalsContact O-N 3.13Å; L168-L175 HydrophobicContact CD1-CD1 3.65Å
169I93.4Very high93.6Very high75 Ų7551.8 Ų51.839%0.38524%0.244SC..Hα-helixtrans-65.3-46.5175.2-67.1168.3000111F128 R165 I166 S171 W172F128-I169 HydrophobicContact CD2-CG1 4.34Å; F128-I169 HydrophobicContact CE1-CD1 4.15Å; F128-I169 HydrophobicContact CE1-CG1 4.24Å; F128-I169 HydrophobicContact CE2-CG1 3.81Å; F128-I169 HydrophobicContact CZ-CD1 3.98Å; F128-I169 HydrophobicContact CZ-CG1 3.77Å; R165-I169 HydrophobicContact CG-CD1 3.92Å; R165-I169 VanDerWaalsContact O-CG1 3.3Å; R165-I169 WeakPolarHBondContact O-CG1 3.16Å; R165-I169 PolarHBondContact O-N 3.47Å; R165-I169 VanDerWaalsContact O-N 3.11Å; I166-I169 PolarHBondContact O-N 3.18Å; I169-S171 PolarHBondContact O-N 3.48Å; I169-W172 WeakPolarHBondContact O-CB 3.36Å; I169-W172 PolarHBondContact O-N 2.98Å
170N93.1Very high93.6Very high93 Ų9357.2 Ų57.250%0.49727%0.268SS..Hα-helixtrans-65-21.7175.3-69.5-15.9000112I166 Y167 R256I166-N170 WeakPolarHBondContact O-CB 3.18Å; I166-N170 VanDerWaalsContact O-CG 3.29Å; I166-N170 PolarHBondContact O-N 2.87Å; I166-N170 PolarHBondContact O-ND2 3.4Å; Y167-N170 PolarHBondContact O-N 3.45Å; N170-R256 PolarHBondContact O-NH1 3.45Å; N170-R256 PolarHBondContact O-NH2 2.97Å
171S93.6Very high93.6Very high0 Ų062.5 Ų62.50%030%0.296CS..THydrogen-bonded Turntrans-85-8.6174.2-56.70000114.2Y167 L168 I169 F174 L175 R256Y167-S171 VanDerWaalsContact O-CB 3.23Å; Y167-S171 WeakPolarHBondContact O-CB 3.5Å; Y167-S171 PolarHBondContact O-N 3.37Å; Y167-S171 PolarHBondContact O-OG 2.66Å; L168-S171 CarbonylContact O-C 3.54Å; L168-S171 WeakPolarHBondContact O-CA 3.39Å; L168-S171 PolarHBondContact O-N 3.47Å; I169-S171 PolarHBondContact O-N 3.48Å; S171-F174 WeakPolarHBondContact O-CB 3.22Å; S171-F174 PolarHBondContact O-N 2.8Å; S171-F174 VanDerWaalsContact O-N 3.16Å; S171-L175 VanDerWaalsContact O-CG 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.42Å; S171-L175 PolarHBondContact O-N 2.77Å; S171-R256 PolarHBondContact OG-NH2 2.92Å
172W94Very high93.6Very high74 Ų7463.1 Ų63.128%0.2830%0.299SS..Hα-helixtrans-48.4-57.3-174.3-179.1-82.4000115.4P126 F128 F138 L168 I169 F174 L175 L176P126-W172 HydrophobicContact CB-CH2 3.71Å; P126-W172 HydrophobicContact CB-CZ2 3.65Å; P126-W172 HydrophobicContact CG-CH2 4.22Å; P126-W172 HydrophobicContact CG-CZ2 3.72Å; F128-W172 HydrophobicContact CB-CE3 4.37Å; F128-W172 HydrophobicContact CB-CH2 4.36Å; F128-W172 HydrophobicContact CB-CZ3 3.63Å; F138-W172 HydrophobicContact CD2-CD2 4.09Å; F138-W172 AromaticContact CD2-CE3 3.31Å; F138-W172 HydrophobicContact CD2-CE3 3.31Å; F138-W172 HydrophobicContact CD2-CH2 4.39Å; F138-W172 AromaticContact CD2-CZ3 3.43Å; F138-W172 HydrophobicContact CD2-CZ3 3.43Å; F138-W172 VanDerWaalsContact CD2-CZ3 3.43Å; F138-W172 AromaticContact CE2-CD2 3.53Å; F138-W172 HydrophobicContact CE2-CD2 3.53Å; F138-W172 AromaticContact CE2-CE3 3.21Å; F138-W172 HydrophobicContact CE2-CE3 3.21Å; F138-W172 HydrophobicContact CE2-CG 4.15Å; F138-W172 AromaticContact CE2-CH2 3.99Å; F138-W172 HydrophobicContact CE2-CH2 3.99Å; F138-W172 HydrophobicContact CE2-CZ2 4.3Å; F138-W172 AromaticContact CE2-CZ3 3.39Å; F138-W172 HydrophobicContact CE2-CZ3 3.39Å; F138-W172 HydrophobicContact CZ-CE3 4.46Å; F138-W172 HydrophobicContact CZ-CZ3 4.42Å; L168-W172 PolarHBondContact O-N 3.02Å; L168-W172 VanDerWaalsContact O-N 3.13Å; I169-W172 WeakPolarHBondContact O-CB 3.36Å; I169-W172 PolarHBondContact O-N 2.98Å; W172-F174 VanDerWaalsContact C-N 3.28Å; W172-F174 PolarHBondContact O-N 2.82Å; W172-L175 PolarHBondContact O-N 2.8Å; W172-L176 VanDerWaalsContact O-CB 3.23Å; W172-L176 WeakPolarHBondContact O-CB 3.24Å; W172-L176 PolarHBondContact O-N 2.96Å
173P95.1Very high93.8Very high87 Ų8763 Ų6357%0.56530%0.298SS*.Hα-helixtrans-65.5-34-176.325.3-34.5000112.4R177P173-R177 WeakPolarHBondContact O-CB 3.42Å; P173-R177 PolarHBondContact O-N 2.88Å
174F94.8Very high94Very high40 Ų4063.5 Ų63.518%0.17530%0.299CS..Hα-helixtrans-68-50.6176.9171.8-92.6000111.2S171 W172 L176 R177 H178 L249 A252S171-F174 WeakPolarHBondContact O-CB 3.22Å; S171-F174 PolarHBondContact O-N 2.8Å; S171-F174 VanDerWaalsContact O-N 3.16Å; W172-F174 VanDerWaalsContact C-N 3.28Å; W172-F174 PolarHBondContact O-N 2.82Å; F174-L176 PolarHBondContact O-N 2.76Å; F174-R177 PolarHBondContact O-N 2.9Å; F174-H178 AromaticContact CD2-CE1 3.46Å; F174-H178 VanDerWaalsContact CD2-CE1 3.46Å; F174-H178 WeakPolarHBondContact CD2-CE1 3.18Å; F174-H178 AromaticContact CD2-ND1 3.68Å; F174-H178 AromaticContact CE2-CE1 3.18Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.28Å; F174-H178 AromaticContact CE2-ND1 3.53Å; F174-H178 AromaticContact CZ-CE1 3.76Å; F174-H178 AromaticContact CZ-ND1 3.72Å; F174-H178 PolarHBondContact O-N 2.97Å; F174-H178 PolarHBondContact O-ND1 2.98Å; F174-L249 HydrophobicContact CE1-CD1 4.04Å; F174-A252 HydrophobicContact CZ-CB 3.79Å
175L94.6Very high94.2Very high0 Ų062.3 Ų62.30%030%0.297CS..Hα-helixtrans-61.5-45.6179.2-67.3174.9000110.9F138 L160 L168 S171 W172 R177 H178 L179 L249F138-L175 HydrophobicContact CB-CD1 4.47Å; F138-L175 HydrophobicContact CD2-CD1 4.32Å; F138-L175 HydrophobicContact CE1-CB 4.37Å; F138-L175 HydrophobicContact CE2-CB 4.32Å; F138-L175 HydrophobicContact CG-CD1 4.26Å; F138-L175 HydrophobicContact CZ-CB 4.24Å; L160-L175 HydrophobicContact CD1-CD2 4.07Å; L160-L175 HydrophobicContact CD2-CD1 4.02Å; L160-L175 HydrophobicContact CD2-CD2 4.23Å; L168-L175 HydrophobicContact CD1-CD1 3.65Å; S171-L175 VanDerWaalsContact O-CG 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.42Å; S171-L175 PolarHBondContact O-N 2.77Å; W172-L175 PolarHBondContact O-N 2.8Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 2.78Å; L175-H178 PolarHBondContact O-N 3.42Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-L249 HydrophobicContact CD2-CD1 4.08Å; L175-L249 HydrophobicContact CD2-CG 4.37Å
176L95.8Very high94.3Very high32 Ų3256.5 Ų56.517%0.16828%0.276CS..Hα-helixtrans-58.1-45179.5-179.257.7000112.3P126 F138 H140 W172 F174 K180P126-L176 HydrophobicContact CB-CD1 3.79Å; P126-L176 HydrophobicContact CG-CD1 3.7Å; P126-L176 HydrophobicContact CG-CD2 4.24Å; F138-L176 HydrophobicContact CZ-CB 4.15Å; F138-L176 HydrophobicContact CZ-CD1 4.43Å; H140-L176 WeakPolarHBondContact ND1-CD1 3.39Å; W172-L176 VanDerWaalsContact O-CB 3.23Å; W172-L176 WeakPolarHBondContact O-CB 3.24Å; W172-L176 PolarHBondContact O-N 2.96Å; F174-L176 PolarHBondContact O-N 2.76Å; L176-K180 HydrophobicContact CD1-CD 4.25Å; L176-K180 HydrophobicContact CD1-CG 4.22Å; L176-K180 HydrophobicContact CG-CD 4.41Å; L176-K180 WeakPolarHBondContact O-CB 3.42Å; L176-K180 VanDerWaalsContact O-CG 3.32Å; L176-K180 WeakPolarHBondContact O-CG 3.48Å; L176-K180 PolarHBondContact O-N 3.42Å
177R95.8Very high94.5Very high180 Ų18054.8 Ų54.868%0.67927%0.266SS*.Hα-helixtrans-59.9-49179.4-179.9177.7175.9174.6-1.9111.6P173 F174 L175 K180 L181P173-R177 WeakPolarHBondContact O-CB 3.42Å; P173-R177 PolarHBondContact O-N 2.88Å; F174-R177 PolarHBondContact O-N 2.9Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 2.78Å; R177-K180 PolarHBondContact O-N 3.22Å; R177-L181 PolarHBondContact O-N 2.79Å
178H94.9Very high94.7Very high35 Ų3555.1 Ų55.116%0.16227%0.273CS..Hα-helixtrans-77.3-33.7-174.3-63.995.8000113.1F174 L175 L181 T182 W248 L249F174-H178 AromaticContact CD2-CE1 3.46Å; F174-H178 VanDerWaalsContact CD2-CE1 3.46Å; F174-H178 WeakPolarHBondContact CD2-CE1 3.18Å; F174-H178 AromaticContact CD2-ND1 3.68Å; F174-H178 AromaticContact CE2-CE1 3.18Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.28Å; F174-H178 AromaticContact CE2-ND1 3.53Å; F174-H178 AromaticContact CZ-CE1 3.76Å; F174-H178 AromaticContact CZ-ND1 3.72Å; F174-H178 PolarHBondContact O-N 2.97Å; F174-H178 PolarHBondContact O-ND1 2.98Å; L175-H178 PolarHBondContact O-N 3.42Å; H178-L181 PolarHBondContact O-N 3.38Å; H178-T182 PolarHBondContact O-N 2.91Å; H178-T182 PolarHBondContact O-OG1 3.29Å; H178-W248 HydrophobicContact CB-CZ3 4.41Å; H178-W248 AromaticContact CD2-CH2 3.46Å; H178-W248 VanDerWaalsContact CD2-CH2 3.46Å; H178-W248 WeakPolarHBondContact CD2-CH2 3.23Å; H178-W248 AromaticContact CD2-CZ3 3.28Å; H178-W248 WeakPolarHBondContact CD2-CZ3 3.5Å; H178-W248 AromaticContact CG-CZ3 3.83Å; H178-W248 AromaticContact NE2-CH2 3.45Å; H178-W248 WeakPolarHBondContact NE2-CH2 3.29Å; H178-W248 AromaticContact NE2-CZ3 3.77Å; H178-L249 HydrophobicContact CB-CD1 3.73Å
179L95.3Very high94.8Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-65.4-40.6172-71.1175.1000111.4F138 I158 L175 L181 T182 I183 L249F138-L179 HydrophobicContact CD1-CD1 3.7Å; F138-L179 HydrophobicContact CE1-CD1 3.32Å; F138-L179 HydrophobicContact CZ-CD1 4.36Å; I158-L179 HydrophobicContact CB-CD2 4.14Å; I158-L179 HydrophobicContact CD1-CD2 4.11Å; I158-L179 HydrophobicContact CG2-CD2 3.49Å; I158-L179 VanDerWaalsContact CG2-CD2 3.49Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 3.42Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 2.89Å; L179-T182 PolarHBondContact O-N 3.3Å; L179-I183 WeakPolarHBondContact O-CB 3.43Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.27Å; L179-I183 PolarHBondContact O-N 2.96Å; L179-L249 HydrophobicContact CD2-CD2 3.79Å; L179-L249 HydrophobicContact CG-CD2 4.25Å
180K95.5Very high94.8Very high114 Ų11452.8 Ų52.850%0.49626%0.263SS..Hα-helixtrans-58.7-37.7173.5-81.7-175.8173.2-172.90113L176 R177 I183 H184L176-K180 HydrophobicContact CD1-CD 4.25Å; L176-K180 HydrophobicContact CD1-CG 4.22Å; L176-K180 HydrophobicContact CG-CD 4.41Å; L176-K180 WeakPolarHBondContact O-CB 3.42Å; L176-K180 VanDerWaalsContact O-CG 3.32Å; L176-K180 WeakPolarHBondContact O-CG 3.48Å; L176-K180 PolarHBondContact O-N 3.42Å; R177-K180 PolarHBondContact O-N 3.22Å; K180-I183 PolarHBondContact O-N 2.95Å; K180-H184 WeakPolarHBondContact O-CB 3.39Å; K180-H184 PolarHBondContact O-N 3.28Å
181L95.8Very high94.9Very high110 Ų11052 Ų5258%0.57626%0.258SS*.Hα-helixtrans-64.1-45.3175.8-67.8173.1000111.8R177 H178 L179 H184 S185R177-L181 PolarHBondContact O-N 2.79Å; H178-L181 PolarHBondContact O-N 3.38Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 2.89Å; L181-H184 PolarHBondContact O-N 2.69Å; L181-S185 PolarHBondContact O-N 3.4Å
182T94.8Very high94.9Very high22 Ų2258.5 Ų58.514%0.13529%0.287CS..Hα-helixtrans-62.6-44.9177.4-53.10000110.8I158 H178 L179 S185 L186 L242 F246I158-T182 HydrophobicContact CD1-CG2 4.24Å; H178-T182 PolarHBondContact O-N 2.91Å; H178-T182 PolarHBondContact O-OG1 3.29Å; L179-T182 PolarHBondContact O-N 3.3Å; T182-S185 PolarHBondContact O-N 3.48Å; T182-L186 WeakPolarHBondContact O-CG 3.1Å; T182-L186 PolarHBondContact O-N 2.98Å; T182-L186 VanDerWaalsContact O-N 3.14Å; T182-L242 HydrophobicContact CG2-CD2 3.94Å; T182-F246 HydrophobicContact CG2-CE1 4.47Å
183I95.6Very high94.8Very high4 Ų455.5 Ų55.52%0.02128%0.276CS..Hα-helixtrans-63.9-46.4178.6-70.2168.3000111.3H140 F142 I158 L179 K180 S185 L186 Q187H140-I183 HydrophobicContact CB-CD1 4.08Å; H140-I183 WeakPolarHBondContact CD2-CD1 3.49Å; F142-I183 HydrophobicContact CB-CD1 4.42Å; F142-I183 HydrophobicContact CB-CG2 3.75Å; F142-I183 HydrophobicContact CD1-CD1 3.76Å; F142-I183 HydrophobicContact CD1-CG1 3.83Å; F142-I183 HydrophobicContact CD1-CG2 4.29Å; F142-I183 HydrophobicContact CD2-CG1 4.38Å; F142-I183 HydrophobicContact CD2-CG2 3.63Å; F142-I183 HydrophobicContact CE1-CD1 4.24Å; F142-I183 HydrophobicContact CE1-CG1 3.96Å; F142-I183 HydrophobicContact CE2-CG1 4.43Å; F142-I183 HydrophobicContact CE2-CG2 4.25Å; F142-I183 HydrophobicContact CG-CB 4.47Å; F142-I183 HydrophobicContact CG-CD1 4.15Å; F142-I183 HydrophobicContact CG-CG1 4.07Å; F142-I183 HydrophobicContact CG-CG2 3.63Å; F142-I183 HydrophobicContact CZ-CG1 4.24Å; I158-I183 HydrophobicContact CD1-CD1 4.3Å; I158-I183 HydrophobicContact CD1-CG1 3.8Å; L179-I183 WeakPolarHBondContact O-CB 3.43Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.27Å; L179-I183 PolarHBondContact O-N 2.96Å; K180-I183 PolarHBondContact O-N 2.95Å; I183-S185 VanDerWaalsContact C-N 3.29Å; I183-S185 PolarHBondContact O-N 3.29Å; I183-L186 PolarHBondContact O-N 3.2Å; I183-L186 VanDerWaalsContact O-N 3.15Å; I183-Q187 HydrophobicContact CG2-CG 4.19Å; I183-Q187 WeakPolarHBondContact O-CB 3.25Å; I183-Q187 WeakPolarHBondContact O-CG 3.35Å; I183-Q187 PolarHBondContact O-N 3.18Å
184H95.8Very high94.6Very high126 Ų12652.8 Ų52.858%0.58326%0.255SS*.Hα-helixtrans-60.4-39.5178.3178.4-90.3000111.8K180 L181 Q187 S188K180-H184 WeakPolarHBondContact O-CB 3.39Å; K180-H184 PolarHBondContact O-N 3.28Å; L181-H184 PolarHBondContact O-N 2.69Å; H184-Q187 PolarHBondContact O-N 3.19Å; H184-S188 VanDerWaalsContact O-CB 3.23Å; H184-S188 WeakPolarHBondContact O-CB 3.5Å; H184-S188 PolarHBondContact O-N 3.46Å
185S94.4Very high94.4Very high60 Ų6055.1 Ų55.142%0.4227%0.27SS..Hα-helixtrans-60.9-45.4174.3-173.90000112.2L181 T182 I183 T189L181-S185 PolarHBondContact O-N 3.4Å; T182-S185 PolarHBondContact O-N 3.48Å; I183-S185 VanDerWaalsContact C-N 3.29Å; I183-S185 PolarHBondContact O-N 3.29Å; S185-T189 WeakPolarHBondContact O-CG2 3.44Å; S185-T189 PolarHBondContact O-N 2.86Å; S185-T189 VanDerWaalsContact O-N 3.12Å; S185-T189 PolarHBondContact O-OG1 3.34Å
186L94.4Very high94.2Very high8 Ų860.1 Ų60.14%0.04230%0.301CS..Hα-helixtrans-64.3-43.2175.9-68.3172.8000112.3F142 I144 T182 I183 T189 A190 T233 L238 L242F142-L186 HydrophobicContact CE2-CD1 4.27Å; F142-L186 HydrophobicContact CZ-CD1 4.08Å; I144-L186 HydrophobicContact CD1-CB 4.5Å; T182-L186 WeakPolarHBondContact O-CG 3.1Å; T182-L186 PolarHBondContact O-N 2.98Å; T182-L186 VanDerWaalsContact O-N 3.14Å; I183-L186 PolarHBondContact O-N 3.2Å; I183-L186 VanDerWaalsContact O-N 3.15Å; L186-T189 PolarHBondContact O-OG1 2.85Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.3Å; L186-A190 VanDerWaalsContact O-N 3.1Å; L186-T233 HydrophobicContact CD2-CG2 4.49Å; L186-L238 HydrophobicContact CD2-CD1 3.68Å; L186-L242 HydrophobicContact CD1-CD2 4.41Å
187Q95.4Very high93.8Very high53 Ų5361 Ų6125%0.24830%0.304CS..Hα-helixtrans-66.9-43.2179.2-75.1177.5-30.800111.8E124 F142 F143 I183 H184 A190 L191E124-Q187 PolarHBondContact OE1-NE2 2.85Å; F142-Q187 HydrophobicContact CD2-CG 4.37Å; F143-Q187 WeakPolarHBondContact O-CG 3.23Å; F143-Q187 PolarHBondContact O-NE2 2.74Å; I183-Q187 HydrophobicContact CG2-CG 4.19Å; I183-Q187 WeakPolarHBondContact O-CB 3.25Å; I183-Q187 WeakPolarHBondContact O-CG 3.35Å; I183-Q187 PolarHBondContact O-N 3.18Å; H184-Q187 PolarHBondContact O-N 3.19Å; Q187-A190 PolarHBondContact O-N 3.38Å; Q187-L191 VanDerWaalsContact O-CB 3.23Å; Q187-L191 WeakPolarHBondContact O-CB 3.37Å; Q187-L191 PolarHBondContact O-N 3.27Å
188S95.2Very high93.3Very high44 Ų4454.3 Ų54.331%0.30828%0.28SS..Hα-helixtrans-64.3-43179.7-1770000112.1H184 L191 K192H184-S188 VanDerWaalsContact O-CB 3.23Å; H184-S188 WeakPolarHBondContact O-CB 3.5Å; H184-S188 PolarHBondContact O-N 3.46Å; S188-L191 PolarHBondContact O-N 2.81Å; S188-K192 WeakPolarHBondContact O-CG 3.3Å; S188-K192 PolarHBondContact O-N 3.36Å
189T93.6Very high92.5Very high27 Ų2756 Ų5617%0.16631%0.307CS..Hα-helixtrans-66.8-44.5177.848.70000111.8S185 L186 L191 K192 V193S185-T189 WeakPolarHBondContact O-CG2 3.44Å; S185-T189 PolarHBondContact O-N 2.86Å; S185-T189 VanDerWaalsContact O-N 3.12Å; S185-T189 PolarHBondContact O-OG1 3.34Å; L186-T189 PolarHBondContact O-OG1 2.85Å; T189-L191 PolarHBondContact O-N 3.48Å; T189-K192 PolarHBondContact O-N 2.87Å; T189-V193 PolarHBondContact O-N 3.35Å
190A93.9Very high91.7Very high0 Ų059.2 Ų59.20%034%0.341CS..Hα-helixtrans-67.1-34.2175.900000113.7I144 L186 Q187 K192 V193 F194 L232 T233I144-A190 HydrophobicContact CG2-CB 3.32Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.3Å; L186-A190 VanDerWaalsContact O-N 3.1Å; Q187-A190 PolarHBondContact O-N 3.38Å; A190-K192 VanDerWaalsContact C-N 3.35Å; A190-K192 PolarHBondContact O-N 3.31Å; A190-V193 PolarHBondContact O-N 3.26Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 3.28Å; A190-L232 WeakPolarHBondContact CA-O 3.44Å; A190-T233 HydrophobicContact CB-CG2 4.27Å
191L94.4Very high90.7Very high77 Ų7756.3 Ų56.340%0.40333%0.334SS..Hα-helixtrans-63.2-41.5177.2-174.465.6000111.3K145 Q187 S188 T189 V193 F194 D195K145-L191 HydrophobicContact CG-CD1 4.08Å; Q187-L191 VanDerWaalsContact O-CB 3.23Å; Q187-L191 WeakPolarHBondContact O-CB 3.37Å; Q187-L191 PolarHBondContact O-N 3.27Å; S188-L191 PolarHBondContact O-N 2.81Å; T189-L191 PolarHBondContact O-N 3.48Å; L191-V193 VanDerWaalsContact C-N 3.33Å; L191-V193 PolarHBondContact O-N 2.92Å; L191-F194 HydrophobicContact CD1-CD1 4.49Å; L191-F194 WeakPolarHBondContact O-CB 3.27Å; L191-F194 PolarHBondContact O-N 2.97Å; L191-D195 PolarHBondContact O-N 2.92Å
192K93.4Very high89.6Confident136 Ų13654.4 Ų54.459%0.59133%0.328SS*.Hα-helixtrans-59.4-43.2175.3-69.1173.1-175.7-179.10112.3S188 T189 A190 T196S188-K192 WeakPolarHBondContact O-CG 3.3Å; S188-K192 PolarHBondContact O-N 3.36Å; T189-K192 PolarHBondContact O-N 2.87Å; A190-K192 VanDerWaalsContact C-N 3.35Å; A190-K192 PolarHBondContact O-N 3.31Å; K192-T196 WeakPolarHBondContact O-CB 3.45Å; K192-T196 PolarHBondContact O-N 3.23Å; K192-T196 VanDerWaalsContact O-N 3.07Å; K192-T196 PolarHBondContact O-OG1 3.39Å
193V91.8Very high88.3Confident11 Ų1155.3 Ų55.37%0.06733%0.331CS..Hα-helixtrans-64.9-45.3176.5176.90000110.2T189 A190 L191 D195 T196 E197 L232 Q234T189-V193 PolarHBondContact O-N 3.35Å; A190-V193 PolarHBondContact O-N 3.26Å; L191-V193 VanDerWaalsContact C-N 3.33Å; L191-V193 PolarHBondContact O-N 2.92Å; V193-D195 PolarHBondContact O-N 2.92Å; V193-T196 PolarHBondContact O-N 3.48Å; V193-E197 HydrophobicContact CG1-CG 4.35Å; V193-E197 WeakPolarHBondContact O-CB 3.46Å; V193-E197 WeakPolarHBondContact O-CG 3.4Å; V193-E197 PolarHBondContact O-N 2.92Å; V193-L232 WeakPolarHBondContact CB-O 3.47Å; V193-L232 WeakPolarHBondContact CG2-O 3.39Å; V193-Q234 HydrophobicContact CG1-CG 4.41Å; V193-Q234 HydrophobicContact CG2-CB 4Å; V193-Q234 HydrophobicContact CG2-CG 3.83Å
194F90.6Very high86.8Confident29 Ų2963.5 Ų63.513%0.12736%0.361CS..Hα-helixtrans-58.2-47.4177.5176.2-92.4000112.8K145 F152 A190 L191 T196 E197 Q198K145-F194 HydrophobicContact CB-CB 3.99Å; K145-F194 HydrophobicContact CB-CD1 4.44Å; K145-F194 HydrophobicContact CB-CD2 3.96Å; K145-F194 HydrophobicContact CB-CG 3.88Å; F152-F194 HydrophobicContact CB-CE2 3.84Å; F152-F194 HydrophobicContact CB-CZ 4.11Å; F152-F194 AromaticContact CD1-CE2 3.9Å; F152-F194 HydrophobicContact CD1-CE2 3.9Å; F152-F194 HydrophobicContact CD1-CZ 4.29Å; F152-F194 HydrophobicContact CG-CE2 4.07Å; F152-F194 HydrophobicContact CG-CZ 4.2Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 3.28Å; L191-F194 HydrophobicContact CD1-CD1 4.49Å; L191-F194 WeakPolarHBondContact O-CB 3.27Å; L191-F194 PolarHBondContact O-N 2.97Å; F194-T196 VanDerWaalsContact C-N 3.34Å; F194-E197 PolarHBondContact O-N 2.92Å; F194-Q198 HydrophobicContact CD1-CG 4.24Å; F194-Q198 HydrophobicContact CD2-CG 4.5Å; F194-Q198 HydrophobicContact CE1-CG 3.8Å; F194-Q198 HydrophobicContact CE2-CG 4.09Å; F194-Q198 HydrophobicContact CZ-CG 3.71Å; F194-Q198 WeakPolarHBondContact O-CB 3.3Å; F194-Q198 WeakPolarHBondContact O-CG 3.32Å; F194-Q198 PolarHBondContact O-N 2.74Å
195D91.6Very high85.1Confident89 Ų8959.6 Ų59.648%0.47635%0.351SS..Hα-helixtrans-66.1-37.9-179.7-69.1-24.1000111.4L191 V193 Q198 G199L191-D195 PolarHBondContact O-N 2.92Å; V193-D195 PolarHBondContact O-N 2.92Å; D195-Q198 PolarHBondContact O-N 2.64Å; D195-G199 PolarHBondContact O-N 2.95Å
196T89.9Confident83.5Confident106 Ų10660.8 Ų60.865%0.6535%0.352SS*.Hα-helixtrans-64.7-45.1175-54.60000111.5K192 V193 F194 G199 G200K192-T196 WeakPolarHBondContact O-CB 3.45Å; K192-T196 PolarHBondContact O-N 3.23Å; K192-T196 VanDerWaalsContact O-N 3.07Å; K192-T196 PolarHBondContact O-OG1 3.39Å; V193-T196 PolarHBondContact O-N 3.48Å; F194-T196 VanDerWaalsContact C-N 3.34Å; T196-G199 PolarHBondContact O-N 3.03Å; T196-G200 PolarHBondContact O-N 3.38Å
197E88.2Confident82.1Confident50 Ų5065.1 Ų65.123%0.23437%0.368CS..Hα-helixtrans-65-41.2177.8-72.9178.2164.200111.9S147 V193 F194 C201 R227S147-E197 VanDerWaalsContact CB-OE2 3.28Å; S147-E197 WeakPolarHBondContact CB-OE2 3.21Å; S147-E197 PolarHBondContact OG-OE2 3.14Å; V193-E197 HydrophobicContact CG1-CG 4.35Å; V193-E197 WeakPolarHBondContact O-CB 3.46Å; V193-E197 WeakPolarHBondContact O-CG 3.4Å; V193-E197 PolarHBondContact O-N 2.92Å; F194-E197 PolarHBondContact O-N 2.92Å; E197-C201 CarbonylContact O-C 3.57Å; E197-C201 PolarHBondContact O-N 3.44Å; E197-C201 VanDerWaalsContact O-O 3.13Å; E197-R227 IonicContact OE1-CZ 3.64Å; E197-R227 IonicContact OE1-NH1 2.74Å; E197-R227 PolarHBondContact OE1-NH1 2.83Å; E197-R227 IonicContact OE1-NH2 3.58Å; E197-R227 IonicContact OE2-CZ 3.72Å; E197-R227 IonicContact OE2-NH1 3.53Å; E197-R227 IonicContact OE2-NH2 2.94Å; E197-R227 PolarHBondContact OE2-NH2 3.3Å
198Q83.8Confident80.2Confident40 Ų4070 Ų7019%0.18739%0.393CS..Hα-helixtrans-70.5-38177.2-75.4-75.1-8.100112.8F194 D195 C201F194-Q198 HydrophobicContact CD1-CG 4.24Å; F194-Q198 HydrophobicContact CD2-CG 4.5Å; F194-Q198 HydrophobicContact CE1-CG 3.8Å; F194-Q198 HydrophobicContact CE2-CG 4.09Å; F194-Q198 HydrophobicContact CZ-CG 3.71Å; F194-Q198 WeakPolarHBondContact O-CB 3.3Å; F194-Q198 WeakPolarHBondContact O-CG 3.32Å; F194-Q198 PolarHBondContact O-N 2.74Å; D195-Q198 PolarHBondContact O-N 2.64Å; Q198-C201 CarbonylContact O-C 3.57Å
199G79.8Confident78.1Confident70 Ų7073.9 Ų73.972%0.72241%0.41SS*.Hα-helixtrans-66.8-36176.700000112.6D195 T196D195-G199 PolarHBondContact O-N 2.95Å; T196-G199 PolarHBondContact O-N 3.03Å
200G78Confident76Confident68 Ų6876.6 Ų76.670%0.70143%0.43SS*.Hα-helixtrans-77.3-42.817500000113.5T196T196-G200 PolarHBondContact O-N 3.38Å
201C73.4Confident73.4Confident53 Ų5383.1 Ų83.136%0.35847%0.469SS..SBendtrans-148.4102.7-178.8-167.70000111.8E197 Q198 Q203 L206E197-C201 CarbonylContact O-C 3.57Å; E197-C201 PolarHBondContact O-N 3.44Å; E197-C201 VanDerWaalsContact O-O 3.13Å; Q198-C201 CarbonylContact O-C 3.57Å; C201-Q203 PolarHBondContact O-N 3.31Å; C201-L206 WeakPolarHBondContact SG-CD1 3.45Å
202P73.4Confident70.9Confident69 Ų6988.9 Ų88.945%0.44849%0.492SS..  trans-68.498.7-177.123.7-31.2000111.3R204 A205 L206P202-R204 PolarHBondContact O-N 3.15Å; P202-R204 VanDerWaalsContact O-N 3.1Å; P202-A205 HydrophobicContact CB-CB 4.37Å; P202-A205 HydrophobicContact CG-CB 4.26Å; P202-A205 WeakPolarHBondContact O-CB 3.36Å; P202-A205 PolarHBondContact O-N 3.19Å; P202-L206 PolarHBondContact O-N 3.15Å
203Q68.2Low68.1Low41 Ų4187.3 Ų87.319%0.19250%0.498CS..Hα-helixtrans-59.9-25.1-178.4-66.9-60.9-33.500112.8L148 F152 C201 L206 R207L148-Q203 HydrophobicContact CD2-CG 4.19Å; F152-Q203 HydrophobicContact CE1-CB 4.35Å; C201-Q203 PolarHBondContact O-N 3.31Å; Q203-L206 PolarHBondContact O-N 3.25Å; Q203-R207 WeakPolarHBondContact O-CG 3.46Å; Q203-R207 PolarHBondContact O-N 3.11Å
204R63.9Low65.5Low176 Ų17693 Ų9366%0.66454%0.535SS*.Hα-helixtrans-65-41174.6-161.4178.2-157.9154.63.4111.9F152 P202 M208F152-R204 HydrophobicContact CZ-CB 4.02Å; F152-R204 HydrophobicContact CZ-CG 4.36Å; P202-R204 PolarHBondContact O-N 3.15Å; P202-R204 VanDerWaalsContact O-N 3.1Å; R204-M208 WeakPolarHBondContact O-CG 3.28Å; R204-M208 PolarHBondContact O-N 2.8Å
205A59.5Low62.9Low44 Ų4495.8 Ų95.836%0.36456%0.563SS.*Hα-helixtrans-69.3-40.1177.600000111P202 R207 M208 N209P202-A205 HydrophobicContact CB-CB 4.37Å; P202-A205 HydrophobicContact CG-CB 4.26Å; P202-A205 WeakPolarHBondContact O-CB 3.36Å; P202-A205 PolarHBondContact O-N 3.19Å; A205-R207 PolarHBondContact O-N 2.82Å; A205-M208 PolarHBondContact O-N 3.16Å; A205-N209 WeakPolarHBondContact O-CB 3.18Å; A205-N209 VanDerWaalsContact O-CG 3.28Å; A205-N209 PolarHBondContact O-N 3.5Å; A205-N209 PolarHBondContact O-ND2 3.36Å
206L60.7Low60.3Low86 Ų8697.3 Ų97.345%0.4558%0.576SS.*Hα-helixtrans-61.8-40.3175.5-72.1175.1000113.2C201 P202 Q203 M208 N209 S210C201-L206 WeakPolarHBondContact SG-CD1 3.45Å; P202-L206 PolarHBondContact O-N 3.15Å; Q203-L206 PolarHBondContact O-N 3.25Å; L206-M208 VanDerWaalsContact C-N 3.34Å; L206-N209 PolarHBondContact O-N 3Å; L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 VanDerWaalsContact O-N 3.16Å
207R65.6Low57.6Low99 Ų99101.2 Ų101.237%0.37458%0.584SS.*Hα-helixtrans-71.4-26.1176.8-72.4179.9-177169.91113.7L148 A149 Q203 A205 S210L148-R207 PolarHBondContact O-NH2 2.91Å; A149-R207 PolarHBondContact O-NH1 3.46Å; A149-R207 PolarHBondContact O-NH2 2.74Å; Q203-R207 WeakPolarHBondContact O-CG 3.46Å; Q203-R207 PolarHBondContact O-N 3.11Å; A205-R207 PolarHBondContact O-N 2.82Å; R207-S210 PolarHBondContact O-OG 3.41Å
208M55.3Low55.3Low155 Ų155104.3 Ų104.376%0.76461%0.608SS**Hα-helixtrans-77.7-26.1172-71.5-174.168.900112R204 A205 L206R204-M208 WeakPolarHBondContact O-CG 3.28Å; R204-M208 PolarHBondContact O-N 2.8Å; A205-M208 PolarHBondContact O-N 3.16Å; L206-M208 VanDerWaalsContact C-N 3.34Å
209N51.2Low53Low125 Ų125111.5 Ų111.567%0.66864%0.641SS**Hα-helixtrans-92.6-4.8-178.7-69.5-13.7000114.5A205 L206 V211A205-N209 WeakPolarHBondContact O-CB 3.18Å; A205-N209 VanDerWaalsContact O-CG 3.28Å; A205-N209 PolarHBondContact O-N 3.5Å; A205-N209 PolarHBondContact O-ND2 3.36Å; L206-N209 PolarHBondContact O-N 3Å; N209-V211 PolarHBondContact O-N 2.64Å; N209-V211 VanDerWaalsContact O-N 3.1Å
210S50.6Low51.1Low85 Ų85116 Ų11659%0.59464%0.644SS**  trans-75.899.6176.864.10000110.6L206 R207 F212L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 VanDerWaalsContact O-N 3.16Å; R207-S210 PolarHBondContact O-OG 3.41Å; S210-F212 PolarHBondContact O-N 3.35Å
211V37.9Very low49.4Very low136 Ų136124.4 Ų124.482%0.82465%0.654SS**  trans-62.3130.4173178.40000109.8N209 S213N209-V211 PolarHBondContact O-N 2.64Å; N209-V211 VanDerWaalsContact O-N 3.1Å; V211-S213 PolarHBondContact O-N 3.03Å; V211-S213 VanDerWaalsContact O-N 3.16Å
212F41.4Very low48Very low199 Ų199127.2 Ų127.287%0.87367%0.674SS**  trans-51.9114.2173.5-113.5-100.2000110.7S210S210-F212 PolarHBondContact O-N 3.35Å
213S36Very low47Very low102 Ų102124.9 Ų124.971%0.71366%0.663SS**  trans-96.9118.6168.1-117.80000109.1V211 A215V211-S213 PolarHBondContact O-N 3.03Å; V211-S213 VanDerWaalsContact O-N 3.16Å; S213-A215 PolarHBondContact O-N 3.03Å; S213-A215 VanDerWaalsContact O-N 3.11Å
214P37.7Very low46.6Very low131 Ų131127.1 Ų127.185%0.85168%0.676SS**THydrogen-bonded Turntrans-78.712.7-168.329-32.8000115.5
215A35.3Very low46.8Very low87 Ų87121.5 Ų121.572%0.71967%0.667SS**THydrogen-bonded Turntrans-96.28-171.800000115.9S213S213-A215 PolarHBondContact O-N 3.03Å; S213-A215 VanDerWaalsContact O-N 3.11Å
216V37.1Very low47.6Very low122 Ų122119.6 Ų119.674%0.73965%0.652SS**SBendtrans-121108.2177.5-173.50000110
217F33.2Very low48.8Very low188 Ų188117.2 Ų117.283%0.82564%0.637SS**  trans-58.7153.5-179.4-76-89.7000113.5H219F217-H219 VanDerWaalsContact C-N 3.34Å; F217-H219 PolarHBondContact O-N 3.44Å
218P38.5Very low49.9Very low115 Ų115113.5 Ų113.575%0.74763%0.626SS**THydrogen-bonded Turntrans-85.725.5-158-7.927.6000116.4
219H37.1Very low51.6Low190 Ų190106.2 Ų106.288%0.8859%0.591SS**THydrogen-bonded Turntrans-106.3-1.3-177.4-82.965.6000114.9F217F217-H219 VanDerWaalsContact C-N 3.34Å; F217-H219 PolarHBondContact O-N 3.44Å
220Q40.1Very low53.5Low165 Ų165102.9 Ų102.977%0.77158%0.575SS**SBendtrans-111.493.2169.1-135.6168.69.700107.4S222Q220-S222 PolarHBondContact O-N 2.99Å
221R41.9Very low55.3Low244 Ų244101 Ų10192%0.92156%0.562SS**  trans-56.3109.4165.5-77.9-178.3177.6177.50.8106.2G223R221-G223 PolarHBondContact O-N 3.1Å
222S43.5Very low57.7Low112 Ų11294.7 Ų94.778%0.78352%0.523SS*.  trans-61.370178.6176.10000111.4Q220 N224Q220-S222 PolarHBondContact O-N 2.99Å; S222-N224 PolarHBondContact O-N 3.07Å
223G52.4Low59.9Low20 Ų2085.5 Ų85.521%0.20648%0.483CS..  trans-81.2107.7165.100000107.6R221 A225R221-G223 PolarHBondContact O-N 3.1Å; G223-A225 PolarHBondContact O-N 3.37Å
224N60.7Low62.4Low88 Ų8887.3 Ų87.347%0.47148%0.481SS..PPolyproline II helixtrans-54129.2169.8-79.2-7.7000108.4S222 A226S222-N224 PolarHBondContact O-N 3.07Å; N224-A226 PolarHBondContact O-N 2.99Å
225A66.3Low64.7Low58 Ų5884 Ų8448%0.47945%0.454SS..PPolyproline II helixtrans-48140.1178.700000110.5L13 C68 G223 R227L13-A225 HydrophobicContact CD1-CB 4.09Å; C68-A225 HydrophobicContact CB-CB 4.41Å; G223-A225 PolarHBondContact O-N 3.37Å; A225-R227 PolarHBondContact O-N 3.25Å
226A77.6Confident66.8Low5 Ų584.6 Ų84.64%0.04145%0.45CS..PPolyproline II helixtrans-61.1128.9178.400000109.6G70 N224G70-A226 WeakPolarHBondContact CA-O 3.46Å; G70-A226 PolarHBondContact N-O 3.42Å; N224-A226 PolarHBondContact O-N 2.99Å
227R85.8Confident69.2Low35 Ų3585 Ų8513%0.13245%0.448CS..PPolyproline II helixtrans-69.6149.2169.9-68-163.1-77.5173.8-3.6109.5G70 D146 S147 E197 A225 L232G70-R227 VanDerWaalsContact CA-O 3.29Å; G70-R227 WeakPolarHBondContact CA-O 3.18Å; D146-R227 IonicContact OD1-CZ 4Å; D146-R227 IonicContact OD1-NE 3.23Å; D146-R227 PolarHBondContact OD1-NE 2.93Å; D146-R227 IonicContact OD1-NH2 2.67Å; D146-R227 PolarHBondContact OD1-NH2 3.45Å; S147-R227 PolarHBondContact OG-NH2 2.91Å; E197-R227 IonicContact OE1-CZ 3.64Å; E197-R227 IonicContact OE1-NH1 2.74Å; E197-R227 PolarHBondContact OE1-NH1 2.83Å; E197-R227 IonicContact OE1-NH2 3.58Å; E197-R227 IonicContact OE2-CZ 3.72Å; E197-R227 IonicContact OE2-NH1 3.53Å; E197-R227 IonicContact OE2-NH2 2.94Å; E197-R227 PolarHBondContact OE2-NH2 3.3Å; A225-R227 PolarHBondContact O-N 3.25Å; R227-L232 HydrophobicContact CB-CD2 4.09Å; R227-L232 HydrophobicContact CB-CG 4.23Å
228S88.8Confident72Confident22 Ų2276.4 Ų76.415%0.15441%0.411CS..PPolyproline II helixtrans-60.6145.6171.861.80000111T230 S231 L232S228-T230 PolarHBondContact O-N 3.33Å; S228-T230 PolarHBondContact OG-OG1 3.23Å; S228-T230 VanDerWaalsContact OG-OG1 3.08Å; S228-S231 WeakPolarHBondContact O-CB 3.31Å; S228-S231 PolarHBondContact O-N 3.31Å; S228-S231 WeakPolarHBondContact OG-CB 3.44Å; S228-S231 PolarHBondContact OG-N 3.03Å; S228-L232 PolarHBondContact O-N 3.38Å; S228-L232 VanDerWaalsContact O-N 3.12Å
229L90.4Very high74.6Confident2 Ų272.1 Ų72.11%0.0138%0.38CS..Hα-helixtrans-61.7-28.6178.4-174.863.5000112.2L7 I144 Y156 L232 T233 L238 W239L7-L229 HydrophobicContact CD2-CD2 3.69Å; I144-L229 HydrophobicContact CD1-CD1 3.55Å; Y156-L229 HydrophobicContact CE1-CD1 4.03Å; Y156-L229 HydrophobicContact CE1-CD2 4.47Å; Y156-L229 HydrophobicContact CE2-CD1 4.48Å; L229-L232 PolarHBondContact O-N 3.34Å; L229-T233 HydrophobicContact CD1-CG2 4.27Å; L229-T233 PolarHBondContact O-N 3.32Å; L229-T233 VanDerWaalsContact O-N 3.13Å; L229-T233 PolarHBondContact O-OG1 3.23Å; L229-L238 HydrophobicContact CB-CD2 4.12Å; L229-L238 HydrophobicContact CD2-CD2 3.84Å; L229-L238 HydrophobicContact CG-CD2 3.65Å; L229-W239 HydrophobicContact CB-CH2 4.28Å; L229-W239 HydrophobicContact CB-CZ2 4.37Å; L229-W239 HydrophobicContact CD2-CH2 4.1Å; L229-W239 HydrophobicContact CD2-CZ3 4.46Å
230T90.3Very high77.3Confident54 Ų5464.4 Ų64.433%0.33135%0.349SS..Hα-helixtrans-65.4-38.6172.848.40000112.2S228 Q234 L238 W239S228-T230 PolarHBondContact O-N 3.33Å; S228-T230 PolarHBondContact OG-OG1 3.23Å; S228-T230 VanDerWaalsContact OG-OG1 3.08Å; T230-Q234 WeakPolarHBondContact O-CA 3.48Å; T230-Q234 PolarHBondContact O-N 3.49Å; T230-L238 HydrophobicContact CG2-CB 4.28Å; T230-L238 HydrophobicContact CG2-CD2 3.98Å; T230-W239 HydrophobicContact CG2-CZ2 4.48Å
231S88.6Confident79.9Confident46 Ų4659 Ų5932%0.32233%0.329SS..Hα-helixtrans-69.6-36.4174.7171.40000112.1S228S228-S231 WeakPolarHBondContact O-CB 3.31Å; S228-S231 PolarHBondContact O-N 3.31Å; S228-S231 WeakPolarHBondContact OG-CB 3.44Å; S228-S231 PolarHBondContact OG-N 3.03Å
232L88.6Confident82.4Confident3 Ų347.5 Ų47.52%0.01629%0.286CS..Hα-helixtrans-69.3-36.1-179.8-67.7177000113.2D146 A190 V193 R227 S228 L229D146-L232 HydrophobicContact CB-CD2 3.84Å; A190-L232 WeakPolarHBondContact CA-O 3.44Å; V193-L232 WeakPolarHBondContact CB-O 3.47Å; V193-L232 WeakPolarHBondContact CG2-O 3.39Å; R227-L232 HydrophobicContact CB-CD2 4.09Å; R227-L232 HydrophobicContact CB-CG 4.23Å; S228-L232 PolarHBondContact O-N 3.38Å; S228-L232 VanDerWaalsContact O-N 3.12Å; L229-L232 PolarHBondContact O-N 3.34Å
233T89.2Confident84.9Confident6 Ų642.7 Ų42.74%0.03725%0.251CS..Hα-helixtrans-97.9-20.6-176.757.80000113.3L186 A190 L229 H235L186-T233 HydrophobicContact CD2-CG2 4.49Å; A190-T233 HydrophobicContact CB-CG2 4.27Å; L229-T233 HydrophobicContact CD1-CG2 4.27Å; L229-T233 PolarHBondContact O-N 3.32Å; L229-T233 VanDerWaalsContact O-N 3.13Å; L229-T233 PolarHBondContact O-OG1 3.23Å; T233-H235 PolarHBondContact O-N 3.29Å
234Q87.5Confident86.9Confident141 Ų14145.6 Ų45.666%0.65927%0.267SS*.  trans47.925.9-169.1-62.9-173.7-0.400113.4V193 T230V193-Q234 HydrophobicContact CG1-CG 4.41Å; V193-Q234 HydrophobicContact CG2-CB 4Å; V193-Q234 HydrophobicContact CG2-CG 3.83Å; T230-Q234 WeakPolarHBondContact O-CA 3.48Å; T230-Q234 PolarHBondContact O-N 3.49Å
235H85Confident88.6Confident61 Ų6143.2 Ų43.228%0.28226%0.258SS..  trans-80.8125.5-176.4-171.5-69.8000110.4T233 N237 L238T233-H235 PolarHBondContact O-N 3.29Å; H235-N237 PolarHBondContact O-N 3.47Å; H235-L238 HydrophobicContact CB-CB 4.31Å; H235-L238 HydrophobicContact CB-CD1 4.28Å; H235-L238 PolarHBondContact O-N 3.45Å
236P79.8Confident90Very high99 Ų9940.5 Ų40.564%0.64324%0.235SC*.THydrogen-bonded Turntrans-65.6130.2175.828.1-33.1000109.2L238P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.04Å
237N88.1Confident90.9Very high132 Ų13240.6 Ų40.671%0.70624%0.236SC*.THydrogen-bonded Turntrans57.636.9179.2-54.5-36.4000115.1H235 W239 A240 S241H235-N237 PolarHBondContact O-N 3.47Å; N237-W239 VanDerWaalsContact C-N 3.28Å; N237-W239 PolarHBondContact O-N 3.47Å; N237-A240 HydrophobicContact CB-CB 4.18Å; N237-A240 PolarHBondContact O-N 2.9Å; N237-S241 PolarHBondContact O-N 2.93Å
238L92.1Very high91.3Very high7 Ų745.6 Ų45.64%0.03725%0.254CS..Hα-helixtrans-44.2-49.9178.1176.368.2000113.5L186 L229 T230 H235 P236 A240 S241 L242L186-L238 HydrophobicContact CD2-CD1 3.68Å; L229-L238 HydrophobicContact CB-CD2 4.12Å; L229-L238 HydrophobicContact CD2-CD2 3.84Å; L229-L238 HydrophobicContact CG-CD2 3.65Å; T230-L238 HydrophobicContact CG2-CB 4.28Å; T230-L238 HydrophobicContact CG2-CD2 3.98Å; H235-L238 HydrophobicContact CB-CB 4.31Å; H235-L238 HydrophobicContact CB-CD1 4.28Å; H235-L238 PolarHBondContact O-N 3.45Å; P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.04Å; L238-A240 PolarHBondContact O-N 2.8Å; L238-S241 WeakPolarHBondContact O-CB 3.37Å; L238-S241 PolarHBondContact O-N 3.19Å; L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CG 4.47Å; L238-L242 HydrophobicContact CG-CD1 4.17Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.32Å
239W93.8Very high91.6Very high24 Ų2444.8 Ų44.89%0.09125%0.248CC..Hα-helixtrans-68.1-32.9-175.9-56.8116.5000113.3L7 L19 F20 S73 L74 F81 L229 T230 N237 L242 H243L7-W239 HydrophobicContact CD2-CZ3 4.3Å; L19-W239 HydrophobicContact CB-CH2 4.32Å; F20-W239 HydrophobicContact CB-CE3 4.06Å; F20-W239 HydrophobicContact CB-CZ3 3.78Å; F20-W239 AromaticContact CD2-CE3 3.87Å; F20-W239 HydrophobicContact CD2-CE3 3.87Å; F20-W239 HydrophobicContact CD2-CZ3 4.4Å; F20-W239 HydrophobicContact CE2-CB 4.45Å; F20-W239 HydrophobicContact CE2-CE3 4.41Å; F20-W239 AromaticContact CG-CE3 3.95Å; F20-W239 HydrophobicContact CG-CE3 3.95Å; F20-W239 HydrophobicContact CG-CZ3 4.19Å; S73-W239 VanDerWaalsContact CB-CH2 3.4Å; S73-W239 VanDerWaalsContact CB-CZ2 3.42Å; S73-W239 PolarHBondContact O-NE1 3.06Å; L74-W239 HydrophobicContact CD2-CB 4Å; L74-W239 HydrophobicContact CD2-CG 3.94Å; F81-W239 HydrophobicContact CE2-CB 3.68Å; F81-W239 HydrophobicContact CZ-CB 4.19Å; L229-W239 HydrophobicContact CB-CH2 4.28Å; L229-W239 HydrophobicContact CB-CZ2 4.37Å; L229-W239 HydrophobicContact CD2-CH2 4.1Å; L229-W239 HydrophobicContact CD2-CZ3 4.46Å; T230-W239 HydrophobicContact CG2-CZ2 4.48Å; N237-W239 VanDerWaalsContact C-N 3.28Å; N237-W239 PolarHBondContact O-N 3.47Å; W239-L242 HydrophobicContact CE3-CD1 3.89Å; W239-L242 HydrophobicContact CZ3-CD1 4.01Å; W239-L242 PolarHBondContact O-N 3.4Å; W239-H243 WeakPolarHBondContact O-CB 3.48Å; W239-H243 PolarHBondContact O-N 3.29Å
240A93.5Very high91.7Very high29 Ų2945 Ų4524%0.2425%0.249CC..Hα-helixtrans-69.1-41.3173.700000111F81 N237 L238 L242 H243 C244F81-A240 HydrophobicContact CD1-CB 4.45Å; F81-A240 HydrophobicContact CE1-CB 3.79Å; F81-A240 HydrophobicContact CZ-CB 4Å; N237-A240 HydrophobicContact CB-CB 4.18Å; N237-A240 PolarHBondContact O-N 2.9Å; L238-A240 PolarHBondContact O-N 2.8Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 2.94Å; A240-H243 WeakPolarHBondContact O-CB 3.21Å; A240-H243 PolarHBondContact O-N 2.84Å; A240-C244 PolarHBondContact O-N 3.47Å; A240-C244 PolarHBondContact O-SG 3.03Å
241S94Very high91.8Very high50 Ų5045.7 Ų45.735%0.3525%0.248SC..Hα-helixtrans-62-40.7174.5-177.30000112N237 L238 C244 S245N237-S241 PolarHBondContact O-N 2.93Å; L238-S241 WeakPolarHBondContact O-CB 3.37Å; L238-S241 PolarHBondContact O-N 3.19Å; S241-C244 PolarHBondContact O-N 2.96Å; S241-S245 WeakPolarHBondContact O-CB 3.31Å; S241-S245 PolarHBondContact O-N 2.73Å; S241-S245 PolarHBondContact O-OG 2.82Å
242L95.1Very high91.9Very high4 Ų444.3 Ų44.32%0.02124%0.24CC..Hα-helixtrans-66.8-40.2174-73.8174.6000112.2L7 F20 T182 L186 L238 W239 A240 S245 F246L7-L242 HydrophobicContact CD2-CD1 4.11Å; F20-L242 HydrophobicContact CD1-CB 4.3Å; F20-L242 HydrophobicContact CE1-CB 4.08Å; T182-L242 HydrophobicContact CG2-CD2 3.94Å; L186-L242 HydrophobicContact CD1-CD2 4.41Å; L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CG 4.47Å; L238-L242 HydrophobicContact CG-CD1 4.17Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.32Å; W239-L242 HydrophobicContact CE3-CD1 3.89Å; W239-L242 HydrophobicContact CZ3-CD1 4.01Å; W239-L242 PolarHBondContact O-N 3.4Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 2.94Å; L242-S245 PolarHBondContact O-N 3.36Å; L242-F246 WeakPolarHBondContact O-CB 3.5Å; L242-F246 WeakPolarHBondContact O-CG 3.24Å; L242-F246 PolarHBondContact O-N 2.98Å
243H95.6Very high92Very high11 Ų1144.2 Ų44.25%0.05124%0.239CC..Hα-helixtrans-56.6-52172.6172.269.3000111.2F20 F81 S83 F92 S94 W239 A240 S245 F246 S247F20-H243 HydrophobicContact CE1-CB 4.36Å; F20-H243 HydrophobicContact CZ-CB 4.02Å; F81-H243 HydrophobicContact CB-CB 3.99Å; F81-H243 VanDerWaalsContact CB-CG 3.5Å; F81-H243 HydrophobicContact CD2-CB 4.28Å; F81-H243 HydrophobicContact CG-CB 4.13Å; S83-H243 WeakPolarHBondContact CB-NE2 3.35Å; S83-H243 PolarHBondContact N-NE2 3.01Å; S83-H243 PolarHBondContact OG-CE1 3.47Å; S83-H243 VanDerWaalsContact OG-CE1 3.3Å; S83-H243 PolarHBondContact OG-NE2 2.88Å; F92-H243 PolarHBondContact O-CE1 3.17Å; S94-H243 WeakPolarHBondContact CB-ND1 3.5Å; S94-H243 PolarHBondContact OG-ND1 3.12Å; W239-H243 WeakPolarHBondContact O-CB 3.48Å; W239-H243 PolarHBondContact O-N 3.29Å; A240-H243 WeakPolarHBondContact O-CB 3.21Å; A240-H243 PolarHBondContact O-N 2.84Å; H243-S245 VanDerWaalsContact C-N 3.32Å; H243-S245 PolarHBondContact O-N 2.82Å; H243-F246 PolarHBondContact O-N 2.9Å; H243-S247 PolarHBondContact CE1-OG 2.68Å; H243-S247 VanDerWaalsContact CE1-OG 3.25Å; H243-S247 PolarHBondContact ND1-OG 3.2Å; H243-S247 VanDerWaalsContact O-CB 3.27Å; H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 2.73Å; H243-S247 PolarHBondContact O-OG 3.19Å
244C95.4Very high91.9Very high80 Ų8045.5 Ų45.554%0.54125%0.253SS..Hα-helixtrans-58.7-45.2178.2-65.30000111.3A240 S241 W248A240-C244 PolarHBondContact O-N 3.47Å; A240-C244 PolarHBondContact O-SG 3.03Å; S241-C244 PolarHBondContact O-N 2.96Å; C244-W248 VanDerWaalsContact O-CB 3.24Å; C244-W248 WeakPolarHBondContact O-CB 3.42Å; C244-W248 PolarHBondContact O-N 2.86Å
245S95.6Very high91.8Very high39 Ų3942.3 Ų42.327%0.27325%0.247SC..Hα-helixtrans-63.7-43.8-179.4-56.10000112.3S241 L242 H243 L249S241-S245 WeakPolarHBondContact O-CB 3.31Å; S241-S245 PolarHBondContact O-N 2.73Å; S241-S245 PolarHBondContact O-OG 2.82Å; L242-S245 PolarHBondContact O-N 3.36Å; H243-S245 VanDerWaalsContact C-N 3.32Å; H243-S245 PolarHBondContact O-N 2.82Å; S245-L249 WeakPolarHBondContact O-CB 3.46Å; S245-L249 PolarHBondContact O-N 2.7Å
246F96.1Very high91.8Very high1 Ų143 Ų430%0.00425%0.247CC..Hα-helixtrans-72.9-39.3179.4-71.4-4.7000112.4V5 L7 F20 T22 I158 T182 L242 H243 L249 L250V5-F246 HydrophobicContact CB-CB 4.31Å; V5-F246 HydrophobicContact CB-CD2 4.11Å; V5-F246 HydrophobicContact CB-CG 4.1Å; V5-F246 HydrophobicContact CG1-CB 4.44Å; V5-F246 HydrophobicContact CG1-CD1 3.79Å; V5-F246 HydrophobicContact CG1-CD2 3.88Å; V5-F246 HydrophobicContact CG1-CE1 3.9Å; V5-F246 HydrophobicContact CG1-CE2 3.99Å; V5-F246 HydrophobicContact CG1-CG 3.78Å; V5-F246 HydrophobicContact CG1-CZ 4Å; L7-F246 HydrophobicContact CB-CE2 4.36Å; L7-F246 HydrophobicContact CB-CZ 4.34Å; F20-F246 AromaticContact CD1-CD2 3.99Å; F20-F246 HydrophobicContact CD1-CD2 3.99Å; F20-F246 AromaticContact CD1-CE2 3.94Å; F20-F246 HydrophobicContact CD1-CE2 3.94Å; F20-F246 HydrophobicContact CE1-CD2 4.22Å; T22-F246 HydrophobicContact CG2-CB 4.17Å; T22-F246 WeakPolarHBondContact OG1-CB 3.37Å; T22-F246 WeakPolarHBondContact OG1-CD2 3.44Å; I158-F246 HydrophobicContact CD1-CE1 4.28Å; I158-F246 HydrophobicContact CD1-CZ 4.41Å; I158-F246 HydrophobicContact CG1-CZ 4.38Å; I158-F246 HydrophobicContact CG2-CE1 4.17Å; I158-F246 HydrophobicContact CG2-CZ 4.08Å; T182-F246 HydrophobicContact CG2-CE1 4.47Å; L242-F246 WeakPolarHBondContact O-CB 3.5Å; L242-F246 WeakPolarHBondContact O-CG 3.24Å; L242-F246 PolarHBondContact O-N 2.98Å; H243-F246 PolarHBondContact O-N 2.9Å; F246-L249 PolarHBondContact O-N 3.34Å; F246-L250 WeakPolarHBondContact O-CG 3.49Å; F246-L250 PolarHBondContact O-N 2.96Å
247S95.1Very high91.8Very high7 Ų743 Ų435%0.04924%0.241CC..Hα-helixtrans-64.6-43.8176.6-53.50000110.6S83 F92 H243 L249 L250 K251S83-S247 PolarHBondContact OG-OG 2.91Å; F92-S247 WeakPolarHBondContact CB-OG 3.47Å; H243-S247 PolarHBondContact CE1-OG 2.68Å; H243-S247 VanDerWaalsContact CE1-OG 3.25Å; H243-S247 PolarHBondContact ND1-OG 3.2Å; H243-S247 VanDerWaalsContact O-CB 3.27Å; H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 2.73Å; H243-S247 PolarHBondContact O-OG 3.19Å; S247-L249 PolarHBondContact O-N 3.31Å; S247-L250 PolarHBondContact O-N 2.95Å; S247-K251 PolarHBondContact O-N 3.19Å
248W94.9Very high91.3Very high139 Ų13942.5 Ų42.553%0.52724%0.243SC..Hα-helixtrans-61.9-42.5173.5-176.688.7000112H178 C244 L250 K251 A252H178-W248 HydrophobicContact CB-CZ3 4.41Å; H178-W248 AromaticContact CD2-CH2 3.46Å; H178-W248 VanDerWaalsContact CD2-CH2 3.46Å; H178-W248 WeakPolarHBondContact CD2-CH2 3.23Å; H178-W248 AromaticContact CD2-CZ3 3.28Å; H178-W248 WeakPolarHBondContact CD2-CZ3 3.5Å; H178-W248 AromaticContact CG-CZ3 3.83Å; H178-W248 AromaticContact NE2-CH2 3.45Å; H178-W248 WeakPolarHBondContact NE2-CH2 3.29Å; H178-W248 AromaticContact NE2-CZ3 3.77Å; C244-W248 VanDerWaalsContact O-CB 3.24Å; C244-W248 WeakPolarHBondContact O-CB 3.42Å; C244-W248 PolarHBondContact O-N 2.86Å; W248-L250 VanDerWaalsContact C-N 3.34Å; W248-L250 PolarHBondContact O-N 3.49Å; W248-K251 PolarHBondContact O-N 3.19Å; W248-A252 HydrophobicContact CD2-CB 4.33Å; W248-A252 HydrophobicContact CE3-CB 4.38Å; W248-A252 HydrophobicContact CH2-CB 4.18Å; W248-A252 HydrophobicContact CZ2-CB 4.14Å; W248-A252 HydrophobicContact CZ3-CB 4.29Å; W248-A252 WeakPolarHBondContact O-CB 3.46Å; W248-A252 PolarHBondContact O-N 2.79Å
249L94.5Very high90.7Very high5 Ų550.1 Ų50.13%0.02628%0.278CS..Hα-helixtrans-59.9-43.6176.6-176.667000111.7V5 L160 F174 L175 H178 L179 S245 F246 S247 S253V5-L249 HydrophobicContact CG2-CD2 4.5Å; L160-L249 HydrophobicContact CD1-CD2 3.79Å; L160-L249 HydrophobicContact CD1-CG 4.46Å; F174-L249 HydrophobicContact CE1-CD1 4.04Å; L175-L249 HydrophobicContact CD2-CD1 4.08Å; L175-L249 HydrophobicContact CD2-CG 4.37Å; H178-L249 HydrophobicContact CB-CD1 3.73Å; L179-L249 HydrophobicContact CD2-CD2 3.79Å; L179-L249 HydrophobicContact CG-CD2 4.25Å; S245-L249 WeakPolarHBondContact O-CB 3.46Å; S245-L249 PolarHBondContact O-N 2.7Å; F246-L249 PolarHBondContact O-N 3.34Å; S247-L249 PolarHBondContact O-N 3.31Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.23Å; L249-S253 PolarHBondContact O-N 3.33Å; L249-S253 PolarHBondContact O-OG 3.43Å
250L93.1Very high90Very high6 Ų657.3 Ų57.33%0.03131%0.31CS..Hα-helixtrans-65.9-45.4177.1-71.8171.1000111.7M1 A3 V5 T22 A24 F92 F246 S247 W248 S253 G254M1-L250 HydrophobicContact SD-CD2 4.41Å; A3-L250 HydrophobicContact CB-CD2 3.89Å; V5-L250 HydrophobicContact CG2-CD1 4.04Å; V5-L250 HydrophobicContact CG2-CD2 3.6Å; V5-L250 HydrophobicContact CG2-CG 3.66Å; T22-L250 HydrophobicContact CG2-CD1 3.84Å; A24-L250 HydrophobicContact CB-CD1 4.29Å; F92-L250 HydrophobicContact CD1-CB 4.01Å; F92-L250 HydrophobicContact CD1-CD1 3.97Å; F92-L250 HydrophobicContact CE1-CB 3.57Å; F92-L250 HydrophobicContact CE1-CD1 4.33Å; F246-L250 WeakPolarHBondContact O-CG 3.49Å; F246-L250 PolarHBondContact O-N 2.96Å; S247-L250 PolarHBondContact O-N 2.95Å; W248-L250 VanDerWaalsContact C-N 3.34Å; W248-L250 PolarHBondContact O-N 3.49Å; L250-S253 WeakPolarHBondContact CA-OG 3.41Å; L250-S253 PolarHBondContact O-OG 3.45Å; L250-G254 PolarHBondContact O-N 3.39Å
251K92.4Very high89.5Confident69 Ų6962.1 Ų62.130%0.333%0.331SS..Hα-helixtrans-59.1-53.9175.3-177.3175.6177.41720111.1D85 E87 F92 S247 W248 S253 G254 S255D85-K251 VanDerWaalsContact CG-NZ 3.31Å; D85-K251 WeakPolarHBondContact OD1-CE 3.29Å; D85-K251 IonicContact OD1-NZ 4Å; D85-K251 PolarHBondContact OD1-NZ 3.31Å; D85-K251 WeakPolarHBondContact OD2-CE 3.25Å; D85-K251 IonicContact OD2-NZ 2.68Å; D85-K251 PolarHBondContact OD2-NZ 2.92Å; E87-K251 IonicContact OE2-NZ 3.36Å; E87-K251 PolarHBondContact OE2-NZ 2.87Å; F92-K251 HydrophobicContact CE2-CB 4.31Å; F92-K251 HydrophobicContact CZ-CB 3.85Å; S247-K251 PolarHBondContact O-N 3.19Å; W248-K251 PolarHBondContact O-N 3.19Å; K251-S253 VanDerWaalsContact C-N 3.35Å; K251-S253 PolarHBondContact O-N 3.49Å; K251-G254 PolarHBondContact O-N 2.97Å; K251-S255 PolarHBondContact O-N 2.9Å; K251-S255 PolarHBondContact O-OG 3.37Å
252A91.6Very high89Confident18 Ų1866.8 Ų66.815%0.14935%0.352CS..Hα-helixtrans-68.3-31.4-174.900000113.1F174 W248 R256F174-A252 HydrophobicContact CZ-CB 3.79Å; W248-A252 HydrophobicContact CD2-CB 4.33Å; W248-A252 HydrophobicContact CE3-CB 4.38Å; W248-A252 HydrophobicContact CH2-CB 4.18Å; W248-A252 HydrophobicContact CZ2-CB 4.14Å; W248-A252 HydrophobicContact CZ3-CB 4.29Å; W248-A252 WeakPolarHBondContact O-CB 3.46Å; W248-A252 PolarHBondContact O-N 2.79Å; A252-R256 WeakPolarHBondContact O-CB 3.32Å; A252-R256 PolarHBondContact O-N 3.48Å
253S89.1Confident88.4Confident0 Ų075.3 Ų75.30%039%0.391CS..Hα-helixtrans-70.6-40.7171.952.30000111.7M1 Y167 L249 L250 K251 R256M1-S253 WeakPolarHBondContact CE-OG 3.34Å; M1-S253 PolarHBondContact SD-OG 3.16Å; Y167-S253 PolarHBondContact OH-O 3.45Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.23Å; L249-S253 PolarHBondContact O-N 3.33Å; L249-S253 PolarHBondContact O-OG 3.43Å; L250-S253 WeakPolarHBondContact CA-OG 3.41Å; L250-S253 PolarHBondContact O-OG 3.45Å; K251-S253 VanDerWaalsContact C-N 3.35Å; K251-S253 PolarHBondContact O-N 3.49Å; S253-R256 PolarHBondContact O-N 3.41Å
254G86.8Confident87.7Confident33 Ų3378.2 Ų78.234%0.3442%0.424SS..Hα-helixtrans-61.8-41.6176.100000114L250 K251L250-G254 PolarHBondContact O-N 3.39Å; K251-G254 PolarHBondContact O-N 2.97Å
255S86.3Confident87.2Confident75 Ų7579 Ų7952%0.52444%0.436SS..THydrogen-bonded Turntrans-84.7-4.3-177.463.50000115K251K251-S255 PolarHBondContact O-N 2.9Å; K251-S255 PolarHBondContact O-OG 3.37Å
256R84.4Confident86.8Confident75 Ų7580.3 Ų80.328%0.28344%0.444SS..SBendtrans-72.2-39.5-172.2-174.5-176.865137.810.8114.1N170 S171 A252 S253N170-R256 PolarHBondContact O-NH1 3.45Å; N170-R256 PolarHBondContact O-NH2 2.97Å; S171-R256 PolarHBondContact OG-NH2 2.92Å; A252-R256 WeakPolarHBondContact O-CB 3.32Å; A252-R256 PolarHBondContact O-N 3.48Å; S253-R256 PolarHBondContact O-N 3.41Å
257L80.2Confident86.3Confident99 Ų9982.9 Ų82.952%0.51846%0.46SS..SBendtrans-109.9103.8-179.4-65.6177.2000107.4Y167Y167-L257 HydrophobicContact CD2-CD1 4.08Å; Y167-L257 HydrophobicContact CE2-CD1 4.14Å
258T77.4Confident85.9Confident121 Ų12183 Ų8374%0.74246%0.459SS*.  trans-105.2132.6175.152.20000109.4
259E79.6Confident85.5Confident167 Ų16777.8 Ų77.878%0.7844%0.442SS*.  trans-85.2126.9171.3-172170.6-162.700108.5L261E259-L261 HydrophobicContact CG-CD2 4.03Å; E259-L261 HydrophobicContact CG-CG 4.21Å; E259-L261 WeakPolarHBondContact OE1-CD2 3.23Å
260K80.4Confident85.3Confident175 Ų17579 Ų7976%0.76145%0.449SS*.  trans-10494.8171.1-171.9177-179.2178.50108L262K260-L262 HydrophobicContact CD-CD2 4.41Å; K260-L262 HydrophobicContact CG-CD2 4.34Å; K260-L262 PolarHBondContact O-N 2.97Å
261L81.1Confident85Confident130 Ų13080.6 Ų80.668%0.68146%0.458SS*.  trans-68.9124.6172.2-63.3170.8000108.2E259E259-L261 HydrophobicContact CG-CD2 4.03Å; E259-L261 HydrophobicContact CG-CG 4.21Å; E259-L261 WeakPolarHBondContact OE1-CD2 3.23Å
262L84.1Confident84.9Confident149 Ų14977.8 Ų77.878%0.7845%0.447SS*.  trans-99.4111.7172.8-63.9177000107.5K260K260-L262 HydrophobicContact CD-CD2 4.41Å; K260-L262 HydrophobicContact CG-CD2 4.34Å; K260-L262 PolarHBondContact O-N 2.97Å
263E83.6Confident84.7Confident183 Ų18379.9 Ų79.986%0.85546%0.455SS*.PPolyproline II helixtrans-77.4150.9171.2-64.8177.8-178.700109.9
264G80.8Confident84.7Confident71 Ų7184.2 Ų84.273%0.73248%0.477SS*.PPolyproline II helixtrans-63.6162.917400000111.7
265A83.4Confident84.9Confident97 Ų9783.5 Ų83.580%0.80247%0.465SS*.PPolyproline II helixtrans-61135.1173.900000110.1
266P87.2Confident84.9Confident66 Ų6683.5 Ų83.543%0.42945%0.453SS..PPolyproline II helixtrans-61.1150.3176.726.2-34.5000110.7T270 L271P266-T270 HydrophobicContact CB-CG2 4.13Å; P266-L271 HydrophobicContact CB-CD2 4.32Å; P266-L271 HydrophobicContact CB-CG 4.25Å; P266-L271 HydrophobicContact CG-CD1 4.37Å; P266-L271 HydrophobicContact CG-CD2 3.62Å; P266-L271 HydrophobicContact CG-CG 3.9Å
267T86.6Confident85Confident56 Ų5685 Ų8534%0.34446%0.464SS..PPolyproline II helixtrans-68.5161.3174.265.10000110.4D269 T270 L271T267-D269 PolarHBondContact O-N 3.31Å; T267-T270 PolarHBondContact O-N 2.76Å; T267-T270 PolarHBondContact OG1-N 3.39Å; T267-T270 PolarHBondContact OG1-OG1 3.24Å; T267-T270 VanDerWaalsContact OG1-OG1 3.11Å; T267-L271 PolarHBondContact O-N 2.78Å
268E86.9Confident85.4Confident8 Ų883.2 Ų83.24%0.03746%0.457CS..Hα-helixtrans-60.5-38.3176.1-73.5-60.1114.300112.1T270 L271 V272 M485 K489 L533 S534E268-T270 VanDerWaalsContact C-N 3.3Å; E268-T270 PolarHBondContact O-N 3.06Å; E268-L271 PolarHBondContact O-N 3.27Å; E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 3.04Å; E268-M485 HydrophobicContact CB-CE 4Å; E268-M485 HydrophobicContact CG-CE 3.84Å; E268-K489 WeakPolarHBondContact OE1-CE 3.05Å; E268-K489 IonicContact OE1-NZ 2.63Å; E268-K489 PolarHBondContact OE1-NZ 3.44Å; E268-L533 HydrophobicContact CG-CD2 4.31Å; E268-L533 WeakPolarHBondContact OE2-CD2 3.49Å; E268-S534 PolarHBondContact OE2-N 3.07Å
269D87.2Confident85.8Confident31 Ų3180.9 Ų80.917%0.16644%0.438CS..Hα-helixtrans-62.5-41.9179.7-75.2-8.5000110.1T267 V272 L273 P373 V374 K481T267-D269 PolarHBondContact O-N 3.31Å; D269-V272 PolarHBondContact O-N 2.68Å; D269-L273 WeakPolarHBondContact O-CB 3.43Å; D269-L273 VanDerWaalsContact O-CG 3.22Å; D269-L273 WeakPolarHBondContact O-CG 3.35Å; D269-L273 PolarHBondContact O-N 2.94Å; D269-P373 WeakPolarHBondContact OD1-CA 3.32Å; D269-V374 HydrophobicContact CB-CG1 4.13Å; D269-V374 HydrophobicContact CB-CG2 3.92Å; D269-V374 WeakPolarHBondContact OD1-CG2 3.45Å; D269-V374 PolarHBondContact OD1-N 3.37Å; D269-K481 IonicContact OD2-NZ 3.8Å; D269-K481 PolarHBondContact OD2-NZ 2.93Å
270T88.5Confident86Confident30 Ų3078.3 Ų78.318%0.18443%0.426CS..Hα-helixtrans-62.5-45.2174.3-59.10000112.5P266 T267 E268 V272 L273 I274 L308P266-T270 HydrophobicContact CB-CG2 4.13Å; T267-T270 PolarHBondContact O-N 2.76Å; T267-T270 PolarHBondContact OG1-N 3.39Å; T267-T270 PolarHBondContact OG1-OG1 3.24Å; T267-T270 VanDerWaalsContact OG1-OG1 3.11Å; E268-T270 VanDerWaalsContact C-N 3.3Å; E268-T270 PolarHBondContact O-N 3.06Å; T270-V272 PolarHBondContact O-N 2.81Å; T270-L273 PolarHBondContact O-N 3.2Å; T270-I274 HydrophobicContact CG2-CD1 3.88Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.49Å; T270-I274 PolarHBondContact O-N 3.19Å; T270-L308 HydrophobicContact CG2-CD2 3.92Å
271L88.2Confident86.2Confident40 Ų4074.7 Ų74.721%0.20941%0.411CS..Hα-helixtrans-61.2-44.7179.1-73.3174000112.1P266 T267 E268 L273 I274 E275P266-L271 HydrophobicContact CB-CD2 4.32Å; P266-L271 HydrophobicContact CB-CG 4.25Å; P266-L271 HydrophobicContact CG-CD1 4.37Å; P266-L271 HydrophobicContact CG-CD2 3.62Å; P266-L271 HydrophobicContact CG-CG 3.9Å; T267-L271 PolarHBondContact O-N 2.78Å; E268-L271 PolarHBondContact O-N 3.27Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L271-I274 PolarHBondContact O-N 3.31Å; L271-E275 WeakPolarHBondContact O-CG 3.47Å; L271-E275 PolarHBondContact O-N 3.48Å
272V89.6Confident86.3Confident10 Ų1074.8 Ų74.86%0.06141%0.408CS..Hα-helixtrans-67.4-36.5179.6173.40000111.6E268 D269 T270 E275 R276 V374E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 3.04Å; D269-V272 PolarHBondContact O-N 2.68Å; T270-V272 PolarHBondContact O-N 2.81Å; V272-E275 PolarHBondContact O-N 3Å; V272-R276 WeakPolarHBondContact O-CG 3.44Å; V272-R276 PolarHBondContact O-N 2.96Å; V272-V374 HydrophobicContact CB-CG2 3.84Å; V272-V374 HydrophobicContact CG1-CG2 3.84Å
273L88.3Confident86.1Confident62 Ų6273.6 Ų73.633%0.32540%0.399SS..Hα-helixtrans-65.7-42.5175.7-71.9171.1000111.6D269 T270 L271 E275 R276 Q277 V374D269-L273 WeakPolarHBondContact O-CB 3.43Å; D269-L273 VanDerWaalsContact O-CG 3.22Å; D269-L273 WeakPolarHBondContact O-CG 3.35Å; D269-L273 PolarHBondContact O-N 2.94Å; T270-L273 PolarHBondContact O-N 3.2Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L273-E275 VanDerWaalsContact C-N 3.32Å; L273-E275 PolarHBondContact O-N 3.13Å; L273-R276 PolarHBondContact O-N 3.32Å; L273-Q277 WeakPolarHBondContact O-CB 3.29Å; L273-Q277 PolarHBondContact O-N 2.91Å; L273-V374 HydrophobicContact CG-CG2 4.33Å
274I88.8Confident85.4Confident90 Ų9070.5 Ų70.546%0.46239%0.386SS..Hα-helixtrans-59.1-46.1173.8-67.1165.3000110T270 L271 R276 Q277 T278T270-I274 HydrophobicContact CG2-CD1 3.88Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.49Å; T270-I274 PolarHBondContact O-N 3.19Å; L271-I274 PolarHBondContact O-N 3.31Å; I274-R276 PolarHBondContact O-N 3.25Å; I274-Q277 PolarHBondContact O-N 3.34Å; I274-T278 HydrophobicContact CG2-CG2 4.44Å; I274-T278 WeakPolarHBondContact O-CG2 3.3Å; I274-T278 PolarHBondContact O-N 3.15Å; I274-T278 PolarHBondContact O-OG1 3.42Å; I274-T278 VanDerWaalsContact O-OG1 3.08Å
275E89.5Confident84.9Confident19 Ų1970.8 Ų70.89%0.08938%0.376CS..Hα-helixtrans-57.9-46.6177.3-74.7173.6-17900112.5L271 V272 L273 Q277 T278 E279 S534 K535 T536L271-E275 WeakPolarHBondContact O-CG 3.47Å; L271-E275 PolarHBondContact O-N 3.48Å; V272-E275 PolarHBondContact O-N 3Å; L273-E275 VanDerWaalsContact C-N 3.32Å; L273-E275 PolarHBondContact O-N 3.13Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.91Å; E275-T278 WeakPolarHBondContact CA-OG1 3.3Å; E275-T278 PolarHBondContact O-N 3.34Å; E275-T278 PolarHBondContact O-OG1 2.98Å; E275-E279 WeakPolarHBondContact O-CB 3.47Å; E275-E279 VanDerWaalsContact O-CG 3.3Å; E275-E279 WeakPolarHBondContact O-CG 3.33Å; E275-E279 PolarHBondContact O-N 2.67Å; E275-S534 WeakPolarHBondContact OE1-CB 3.25Å; E275-S534 PolarHBondContact OE1-OG 3.28Å; E275-K535 PolarHBondContact OE1-N 2.9Å; E275-K535 VanDerWaalsContact OE1-N 3.13Å; E275-K535 PolarHBondContact OE2-N 3.15Å; E275-T536 WeakPolarHBondContact OE1-CA 3.4Å; E275-T536 WeakPolarHBondContact OE1-CB 3.42Å; E275-T536 PolarHBondContact OE1-N 3.07Å; E275-T536 PolarHBondContact OE1-OG1 2.98Å
276R87.7Confident83.6Confident74 Ų7470.6 Ų70.628%0.27937%0.368SS..Hα-helixtrans-63.3-41178.3-75.1179.6177.9176.52.6112.1V272 L273 I274 E279 Q280 V374 V377V272-R276 WeakPolarHBondContact O-CG 3.44Å; V272-R276 PolarHBondContact O-N 2.96Å; L273-R276 PolarHBondContact O-N 3.32Å; I274-R276 PolarHBondContact O-N 3.25Å; R276-E279 PolarHBondContact O-N 3.06Å; R276-Q280 WeakPolarHBondContact O-CG 3.05Å; R276-Q280 PolarHBondContact O-N 2.84Å; R276-V374 PolarHBondContact NH2-O 3.45Å; R276-V377 PolarHBondContact NH2-O 3.47Å
277Q86.9Confident82.1Confident108 Ų10877 Ų7751%0.50538%0.384SS..Hα-helixtrans-64.8-44.6177.5-174.4179.1-900110.7L273 I274 E275 E279 Q280 E281L273-Q277 WeakPolarHBondContact O-CB 3.29Å; L273-Q277 PolarHBondContact O-N 2.91Å; I274-Q277 PolarHBondContact O-N 3.34Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.91Å; Q277-E279 PolarHBondContact O-N 2.98Å; Q277-Q280 PolarHBondContact O-N 3.01Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 2.71Å; Q277-E281 WeakPolarHBondContact O-CG 3.38Å; Q277-E281 PolarHBondContact O-N 3.38Å
278T86.9Confident80.3Confident60 Ų6082.4 Ų82.437%0.36841%0.405SS..Hα-helixtrans-63.5-40.2176.750.10000112.5I274 E275 Q280 E281 E282I274-T278 HydrophobicContact CG2-CG2 4.44Å; I274-T278 WeakPolarHBondContact O-CG2 3.3Å; I274-T278 PolarHBondContact O-N 3.15Å; I274-T278 PolarHBondContact O-OG1 3.42Å; I274-T278 VanDerWaalsContact O-OG1 3.08Å; E275-T278 WeakPolarHBondContact CA-OG1 3.3Å; E275-T278 PolarHBondContact O-N 3.34Å; E275-T278 PolarHBondContact O-OG1 2.98Å; T278-Q280 VanDerWaalsContact C-N 3.32Å; T278-Q280 PolarHBondContact O-N 2.87Å; T278-E281 PolarHBondContact O-N 3.49Å; T278-E282 WeakPolarHBondContact O-CB 3.37Å; T278-E282 WeakPolarHBondContact O-CG 3.31Å; T278-E282 PolarHBondContact O-N 2.88Å
279E86.1Confident78.7Confident73 Ų7385.6 Ų85.634%0.34144%0.44SS..Hα-helixtrans-62.4-40176-74.3174.6177.100111.2E275 R276 Q277 E283 K535E275-E279 WeakPolarHBondContact O-CB 3.47Å; E275-E279 VanDerWaalsContact O-CG 3.3Å; E275-E279 WeakPolarHBondContact O-CG 3.33Å; E275-E279 PolarHBondContact O-N 2.67Å; R276-E279 PolarHBondContact O-N 3.06Å; Q277-E279 PolarHBondContact O-N 2.98Å; E279-E283 WeakPolarHBondContact O-CB 3.45Å; E279-E283 VanDerWaalsContact O-CG 3.31Å; E279-E283 WeakPolarHBondContact O-CG 3.46Å; E279-E283 PolarHBondContact O-N 3.26Å; E279-K535 IonicContact OE1-NZ 2.88Å; E279-K535 PolarHBondContact OE1-NZ 3.14Å; E279-K535 IonicContact OE2-NZ 2.72Å
280Q85.2Confident77Confident113 Ų11387.7 Ų87.753%0.52846%0.462SS..Hα-helixtrans-66.8-42.2175.5-73174.3400112.7R276 Q277 T278 E283 M284R276-Q280 WeakPolarHBondContact O-CG 3.05Å; R276-Q280 PolarHBondContact O-N 2.84Å; Q277-Q280 PolarHBondContact O-N 3.01Å; T278-Q280 VanDerWaalsContact C-N 3.32Å; T278-Q280 PolarHBondContact O-N 2.87Å; Q280-E283 PolarHBondContact O-N 3.11Å; Q280-M284 WeakPolarHBondContact O-CB 3.3Å; Q280-M284 VanDerWaalsContact O-CG 3.29Å; Q280-M284 WeakPolarHBondContact O-CG 3.44Å; Q280-M284 PolarHBondContact O-N 3.38Å
281E84.6Confident74.7Confident99 Ų9994.4 Ų94.446%0.46349%0.491SS..Hα-helixtrans-64.5-40.6177-72.2173.2-168.400111.7Q277 T278 M284 S285Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 2.71Å; Q277-E281 WeakPolarHBondContact O-CG 3.38Å; Q277-E281 PolarHBondContact O-N 3.38Å; T278-E281 PolarHBondContact O-N 3.49Å; E281-M284 HydrophobicContact CG-CE 4.24Å; E281-M284 PolarHBondContact O-N 3.45Å; E281-S285 VanDerWaalsContact O-CB 3.31Å; E281-S285 WeakPolarHBondContact O-CB 3.3Å; E281-S285 PolarHBondContact O-N 3.44Å
282E82.9Confident72.6Confident131 Ų13196.9 Ų96.961%0.61253%0.526SS*.Hα-helixtrans-66.2-41.9175.1-74.4-179.3179.500112.4T278 S285 C286T278-E282 WeakPolarHBondContact O-CB 3.37Å; T278-E282 WeakPolarHBondContact O-CG 3.31Å; T278-E282 PolarHBondContact O-N 2.88Å; E282-S285 PolarHBondContact O-N 3.31Å; E282-C286 PolarHBondContact O-N 3.47Å; E282-C286 PolarHBondContact O-SG 3.47Å
283E78.4Confident70.1Confident125 Ų12599.7 Ų99.758%0.58456%0.558SS**Hα-helixtrans-60.6-49.6174.4-77.4178.7-177.300110.6E279 Q280 S285 C286 W287E279-E283 WeakPolarHBondContact O-CB 3.45Å; E279-E283 VanDerWaalsContact O-CG 3.31Å; E279-E283 WeakPolarHBondContact O-CG 3.46Å; E279-E283 PolarHBondContact O-N 3.26Å; Q280-E283 PolarHBondContact O-N 3.11Å; E283-S285 PolarHBondContact O-N 2.96Å; E283-C286 PolarHBondContact O-N 3.37Å; E283-W287 PolarHBondContact O-N 3Å
284M70.3Confident67.6Low118 Ų118100.1 Ų100.158%0.58158%0.577SS**Hα-helixtrans-60.1-41.8178.1-71.3-173.3-56.700112.8Q280 E281 C286 W287 E288Q280-M284 WeakPolarHBondContact O-CB 3.3Å; Q280-M284 VanDerWaalsContact O-CG 3.29Å; Q280-M284 WeakPolarHBondContact O-CG 3.44Å; Q280-M284 PolarHBondContact O-N 3.38Å; E281-M284 HydrophobicContact CG-CE 4.24Å; E281-M284 PolarHBondContact O-N 3.45Å; M284-C286 VanDerWaalsContact C-N 3.33Å; M284-C286 PolarHBondContact O-N 2.98Å; M284-W287 PolarHBondContact O-N 3.08Å; M284-E288 PolarHBondContact O-N 2.63Å
285S69.2Low64.7Low76 Ų76101.5 Ų101.553%0.53160%0.595SS.*Hα-helixtrans-64.1-34.9176.71790000112.7E281 E282 E283 W287 E288 G289E281-S285 VanDerWaalsContact O-CB 3.31Å; E281-S285 WeakPolarHBondContact O-CB 3.3Å; E281-S285 PolarHBondContact O-N 3.44Å; E282-S285 PolarHBondContact O-N 3.31Å; E283-S285 PolarHBondContact O-N 2.96Å; S285-W287 VanDerWaalsContact C-N 3.33Å; S285-W287 PolarHBondContact O-N 3.38Å; S285-E288 PolarHBondContact O-N 2.76Å; S285-G289 PolarHBondContact O-N 3.35Å
286C56.8Low62.3Low94 Ų94110.2 Ų110.264%0.63564%0.635SS**Hα-helixtrans-68.9-29.3175.7-73.70000113.2E282 E283 M284E282-C286 PolarHBondContact O-N 3.47Å; E282-C286 PolarHBondContact O-SG 3.47Å; E283-C286 PolarHBondContact O-N 3.37Å; M284-C286 VanDerWaalsContact C-N 3.33Å; M284-C286 PolarHBondContact O-N 2.98Å
287W56.4Low59.6Low199 Ų199112.1 Ų112.175%0.75466%0.66SS**Hα-helixtrans-74.5-33.4173.6-67.5103.7000112.3E283 M284 S285 G289 A290E283-W287 PolarHBondContact O-N 3Å; M284-W287 PolarHBondContact O-N 3.08Å; S285-W287 VanDerWaalsContact C-N 3.33Å; S285-W287 PolarHBondContact O-N 3.38Å; W287-G289 VanDerWaalsContact C-N 3.26Å; W287-G289 PolarHBondContact O-N 3.25Å; W287-A290 PolarHBondContact O-N 3.02Å
288E48.3Very low56.7Low171 Ų171116.2 Ų116.280%0.79968%0.679SS**Hα-helixtrans-67.8-23.9174.3-72.5-173.5160.800113.3M284 S285M284-E288 PolarHBondContact O-N 2.63Å; S285-E288 PolarHBondContact O-N 2.76Å
289G52.8Low53.9Low74 Ų74121.3 Ų121.376%0.76370%0.703SS**THydrogen-bonded Turntrans-83-9.9176.100000115.6S285 W287S285-G289 PolarHBondContact O-N 3.35Å; W287-G289 VanDerWaalsContact C-N 3.26Å; W287-G289 PolarHBondContact O-N 3.25Å
290A50.8Low51Low75 Ų75126 Ų12662%0.6273%0.729SS**THydrogen-bonded Turntrans-105.7-14.3-171.500000114.9W287W287-A290 PolarHBondContact O-N 3.02Å
291E41.7Very low48.2Very low171 Ų171128.8 Ų128.880%0.79974%0.743SS**  trans-115.485.6176.8-67.4-159.2160.800112G293E291-G293 PolarHBondContact O-N 2.88Å; E291-G293 VanDerWaalsContact O-N 3.08Å
292G44.3Very low45.5Very low92 Ų92130 Ų13095%0.94876%0.759SS**  trans-68.196.3154.200000109.7
293G36.6Very low42.6Very low70 Ų70130.5 Ų130.572%0.72277%0.766SS**SBendtrans14083.4159.800000117E291E291-G293 PolarHBondContact O-N 2.88Å; E291-G293 VanDerWaalsContact O-N 3.08Å
294G35.3Very low40.5Very low71 Ų71130.4 Ų130.473%0.73278%0.779SS**  trans77.6100.6138.500000118.5
295S29Very low38.5Very low119 Ų119132 Ų13283%0.83278%0.783SS**  -171.3119.5126-75.40000108.8S297S295-S297 PolarHBondContact O-N 2.93Å
296E39.1Very low36.9Very low201 Ų201136.5 Ų136.594%0.93980%0.8SS**  trans-58.3122170.3-78.4178.5136.400109.9
297S29.3Very low35.5Very low115 Ų115135.3 Ų135.380%0.80480%0.803SS**  trans-132.8127.8156-79.80000108.1S295 L299S295-S297 PolarHBondContact O-N 2.93Å; S297-L299 PolarHBondContact O-N 2.95Å
298Q26.8Very low34.8Very low194 Ų194131 Ų13191%0.90780%0.795SS**  trans-61.1126.4-161.3-70.1166.9-15.900112.6L300Q298-L300 PolarHBondContact O-N 3.49Å
299L28.6Very low34.1Very low166 Ų166130.7 Ų130.787%0.86980%0.798SS**  trans-56119.4168.5-79.4139.3000111.4S297S297-L299 PolarHBondContact O-N 2.95Å
300L25.7Very low33Very low171 Ų171132.7 Ų132.790%0.89580%0.799SS**  trans-103.1106.8154.7-84.7154.5000107.2Q298Q298-L300 PolarHBondContact O-N 3.49Å
301Q26.1Very low31.9Very low172 Ų172136.5 Ų136.580%0.80480%0.804SS**  trans-62.5134.1174.5-68-177.3-800110.3D303Q301-D303 PolarHBondContact O-N 3.36Å
302P26.3Very low31.3Very low124 Ų124132 Ų13281%0.80580%0.796SS**  trans-82.1111.6164.530-25.3000108.7S304P302-S304 PolarHBondContact O-N 3.12Å
303D23.7Very low30.9Very low143 Ų143131.5 Ų131.577%0.76578%0.778SS**  trans-60.5114.9169.4-121.1-14000108.9Q301 K305Q301-D303 PolarHBondContact O-N 3.36Å; D303-K305 PolarHBondContact O-N 2.75Å
304S33.8Very low30.8Very low122 Ų122138.6 Ų138.685%0.85379%0.789SS**  trans-67.492.5173.8172.10000109.9P302P302-S304 PolarHBondContact O-N 3.12Å
305K27.4Very low30.8Very low151 Ų151138.2 Ų138.266%0.65778%0.775SS**  trans-126.8118.2160-84.7-175.2177.7179.20110.3D303 G307D303-K305 PolarHBondContact O-N 2.75Å; K305-G307 PolarHBondContact O-N 2.82Å
306L36.4Very low31.1Very low171 Ų171139.9 Ų139.990%0.89578%0.775SS**  trans-54103.3175.1-147.885.1000110.3L308L306-L308 HydrophobicContact CG-CD1 4.33Å
307G26.3Very low31.3Very low69 Ų69137 Ų13771%0.71177%0.765SS**  trans-128.369.7173.200000109.2K305K305-G307 PolarHBondContact O-N 2.82Å
308L42.5Very low32.3Very low110 Ų110134.9 Ų134.958%0.57675%0.748SS**  trans-64.5133.6172.8-107.785.8000109.3T270 L306T270-L308 HydrophobicContact CG2-CD2 3.92Å; L306-L308 HydrophobicContact CG-CD1 4.33Å
309L34.3Very low33.7Very low164 Ų164132.4 Ų132.486%0.85975%0.745SS**SBendtrans90.873.7-178.8-53.3171000115.7
310C28.1Very low35.5Very low116 Ų116126.2 Ų126.278%0.78472%0.722SS**  169.7109.6127.2-91.30000107.9A312C310-A312 PolarHBondContact O-N 3.46Å
311E28.8Very low38Very low154 Ų154119.1 Ų119.172%0.7269%0.686SS**  trans-70.671.4151.2-77.6-170166.900107.8S313E311-S313 VanDerWaalsContact C-N 3.28Å; E311-S313 PolarHBondContact O-N 3.05Å
312A29.1Very low40.9Very low78 Ų78114.9 Ų114.965%0.64567%0.665SS**  trans-80.393.2147.700000104.2C310 K314C310-A312 PolarHBondContact O-N 3.46Å; A312-K314 PolarHBondContact O-N 2.88Å; A312-K314 VanDerWaalsContact O-N 3.14Å
313S34.7Very low43.8Very low81 Ų81109.5 Ų109.557%0.56663%0.629SS**  trans-46.3126.9157.646.60000106.7E311 S315E311-S313 VanDerWaalsContact C-N 3.28Å; E311-S313 PolarHBondContact O-N 3.05Å; S313-S315 PolarHBondContact O-N 2.84Å; S313-S315 PolarHBondContact O-OG 3.44Å
314K35.6Very low46.9Very low219 Ų219110.6 Ų110.695%0.95263%0.627SS**  trans-60.879.9165.4-71.5-179.9178.1176.80106.8A312A312-K314 PolarHBondContact O-N 2.88Å; A312-K314 VanDerWaalsContact O-N 3.14Å
315S34.9Very low49.7Very low63 Ų63105.8 Ų105.844%0.44159%0.593SS.*  trans-100.1125.6165.543.40000104.6S313 Q362S313-S315 PolarHBondContact O-N 2.84Å; S313-S315 PolarHBondContact O-OG 3.44Å; S315-Q362 PolarHBondContact OG-NE2 3.36Å; S315-Q362 VanDerWaalsContact OG-NE2 3.15Å
316D35Very low52.7Low154 Ų15499.3 Ų99.382%0.82457%0.566SS**  trans-39144.4175.7-89.5-39.1000111.6V318D316-V318 PolarHBondContact O-N 3.24Å
317D43.5Very low55.3Low139 Ų13993 Ų9374%0.74353%0.53SS*.  trans-65.580.7-178.7-146-0.5000109.7V319 K322D317-V319 PolarHBondContact O-N 3.4Å; D317-K322 IonicContact OD1-NZ 2.91Å
318V50.9Low58.4Low72 Ų7290.5 Ų90.544%0.43650%0.5SS..  trans-66.2105.7171.7-1790000106D316 G320 K322D316-V318 PolarHBondContact O-N 3.24Å; V318-G320 PolarHBondContact O-N 2.83Å; V318-K322 WeakPolarHBondContact O-CE 3.22Å; V318-K322 PolarHBondContact O-NZ 3.11Å
319V56.4Low60.7Low141 Ų14185.3 Ų85.386%0.85547%0.472SS*.  trans-65.9113176178.60000107.6D317D317-V319 PolarHBondContact O-N 3.4Å
320G66.3Low63.4Low37 Ų3780 Ų8038%0.38144%0.441SS..SBendtrans177.1167.8-177.300000112.9V318 K322V318-G320 PolarHBondContact O-N 2.83Å; G320-K322 PolarHBondContact O-N 3.46Å
321P78.1Confident66.4Low22 Ų2280.1 Ų80.114%0.14343%0.43CS..  trans-69.3120.7-177.927.1-31.3000111L360 I433 Y437P321-L360 WeakPolarHBondContact O-CD1 3.48Å; P321-I433 HydrophobicContact CB-CD1 4.34Å; P321-I433 HydrophobicContact CB-CG1 3.59Å; P321-Y437 HydrophobicContact CG-CE2 3.69Å
322K86.3Confident69.2Low82 Ų8273.8 Ų73.836%0.35740%0.402SS..  trans-120.4140.4-174.8-67.4173-172.1172.70112.1D317 V318 G320 K324D317-K322 IonicContact OD1-NZ 2.91Å; V318-K322 WeakPolarHBondContact O-CE 3.22Å; V318-K322 PolarHBondContact O-NZ 3.11Å; G320-K322 PolarHBondContact O-N 3.46Å; K322-K324 PolarHBondContact O-N 2.85Å
323F88.6Confident72.1Confident11 Ų1170.8 Ų70.85%0.04838%0.375CS..  trans-68.1128.5169.5-67.6-74.9000110.6L329 V332 W353 L360 S363 A364 V367 I433 F439F323-L329 HydrophobicContact CD1-CB 4.24Å; F323-L329 HydrophobicContact CD1-CD1 3.7Å; F323-L329 HydrophobicContact CD2-CD1 4.39Å; F323-L329 HydrophobicContact CE1-CD1 3.44Å; F323-L329 VanDerWaalsContact CE1-CD1 3.44Å; F323-L329 HydrophobicContact CE2-CD1 4.18Å; F323-L329 HydrophobicContact CG-CD1 4.17Å; F323-L329 HydrophobicContact CZ-CD1 3.7Å; F323-V332 HydrophobicContact CE1-CB 4.1Å; F323-V332 HydrophobicContact CE1-CG1 4.06Å; F323-V332 HydrophobicContact CE1-CG2 4.03Å; F323-V332 HydrophobicContact CZ-CG1 4.47Å; F323-W353 AromaticContact CE2-CH2 3.85Å; F323-W353 HydrophobicContact CE2-CH2 3.85Å; F323-W353 AromaticContact CE2-CZ3 3.86Å; F323-W353 HydrophobicContact CE2-CZ3 3.86Å; F323-W353 HydrophobicContact CZ-CH2 4.14Å; F323-W353 HydrophobicContact CZ-CZ3 4.4Å; F323-L360 HydrophobicContact CD2-CD1 3.93Å; F323-L360 HydrophobicContact CE2-CD1 3.42Å; F323-L360 VanDerWaalsContact CE2-CD1 3.42Å; F323-L360 HydrophobicContact CE2-CG 4.01Å; F323-L360 HydrophobicContact CZ-CD1 4.03Å; F323-S363 WeakPolarHBondContact CD2-OG 3.27Å; F323-S363 PolarHBondContact N-OG 3.38Å; F323-A364 HydrophobicContact CD2-CB 3.72Å; F323-A364 HydrophobicContact CE2-CB 3.84Å; F323-V367 HydrophobicContact CB-CG2 4Å; F323-I433 HydrophobicContact CD1-CD1 4.17Å; F323-I433 HydrophobicContact CE1-CD1 4.29Å; F323-I433 HydrophobicContact CE1-CG2 4.16Å; F323-I433 HydrophobicContact CG-CD1 4.46Å; F323-I433 HydrophobicContact CZ-CG2 4.15Å; F323-F439 AromaticContact CZ-CE1 3.98Å; F323-F439 HydrophobicContact CZ-CE1 3.98Å; F323-F439 AromaticContact CZ-CZ 3.85Å; F323-F439 HydrophobicContact CZ-CZ 3.85Å
324K88.1Confident74.6Confident167 Ų16768.4 Ų68.473%0.72636%0.364SS*.  trans-95.4-30.4-174.2-62.7176.5-177.4167.50113.2K322 H328K322-K324 PolarHBondContact O-N 2.85Å; K324-H328 PolarHBondContact N-ND1 3.25Å
325S91.7Very high77.1Confident20 Ų2059.7 Ų59.714%0.1433%0.332CS..  trans-160.9165.8-176.968.50000111.6R327 H328 L329S325-R327 PolarHBondContact O-N 3.34Å; S325-R327 PolarHBondContact OG-N 3.47Å; S325-H328 WeakPolarHBondContact O-CB 3.37Å; S325-H328 PolarHBondContact O-N 3.03Å; S325-H328 VanDerWaalsContact O-N 3.16Å; S325-H328 PolarHBondContact OG-N 2.95Å; S325-H328 VanDerWaalsContact OG-N 3.13Å; S325-L329 PolarHBondContact O-N 3.48Å
326L91.4Very high79.6Confident15 Ų1562.6 Ų62.68%0.07934%0.343CS..Hα-helixtrans-58.7-33.2171.2-75167.1000112.4L329 R330 F338 V367 L371 L463 L477L326-L329 PolarHBondContact O-N 3Å; L326-R330 WeakPolarHBondContact O-CB 3.39Å; L326-R330 PolarHBondContact O-N 2.77Å; L326-F338 HydrophobicContact CD2-CE2 4.26Å; L326-F338 HydrophobicContact CD2-CZ 4.14Å; L326-V367 HydrophobicContact CB-CG1 4.29Å; L326-V367 HydrophobicContact CD2-CG1 3.52Å; L326-V367 HydrophobicContact CG-CG1 3.72Å; L326-L371 HydrophobicContact CD1-CD2 3.61Å; L326-L371 HydrophobicContact CD1-CG 4.29Å; L326-L371 HydrophobicContact CD2-CD1 4.08Å; L326-L371 HydrophobicContact CD2-CD2 4Å; L326-L371 HydrophobicContact CD2-CG 4Å; L326-L371 HydrophobicContact CG-CD2 4.49Å; L326-L463 HydrophobicContact CB-CD2 3.92Å; L326-L477 HydrophobicContact CD1-CD2 3.54Å
327R90.8Very high82.2Confident40 Ų4058.1 Ų58.115%0.15132%0.319CS..Hα-helixtrans-66.1-43.6176-176.6177.9-69165.91.4111.1S325 R330 Q331 L463 N465 L468S325-R327 PolarHBondContact O-N 3.34Å; S325-R327 PolarHBondContact OG-N 3.47Å; R327-R330 PolarHBondContact O-N 3.06Å; R327-Q331 WeakPolarHBondContact O-CG 3.01Å; R327-Q331 PolarHBondContact O-N 3.25Å; R327-L463 HydrophobicContact CB-CD2 4.16Å; R327-N465 PolarHBondContact NH2-O 2.98Å; R327-N465 VanDerWaalsContact NH2-O 3.08Å; R327-L468 VanDerWaalsContact CZ-O 3.23Å; R327-L468 PolarHBondContact NH1-O 2.69Å; R327-L468 PolarHBondContact NH2-O 3.25Å
328H90.7Very high84.5Confident16 Ų1651.7 Ų51.77%0.07428%0.284CS..Hα-helixtrans-62.6-45.1175.3-178-169000110.7K324 S325 R330 Q331 V332 D431K324-H328 PolarHBondContact N-ND1 3.25Å; S325-H328 WeakPolarHBondContact O-CB 3.37Å; S325-H328 PolarHBondContact O-N 3.03Å; S325-H328 VanDerWaalsContact O-N 3.16Å; S325-H328 PolarHBondContact OG-N 2.95Å; S325-H328 VanDerWaalsContact OG-N 3.13Å; H328-R330 VanDerWaalsContact C-N 3.3Å; H328-R330 PolarHBondContact O-N 3.13Å; H328-Q331 PolarHBondContact O-N 2.52Å; H328-Q331 VanDerWaalsContact O-N 3.13Å; H328-V332 VanDerWaalsContact O-CG2 3.29Å; H328-V332 WeakPolarHBondContact O-CG2 3.5Å; H328-V332 PolarHBondContact O-N 2.86Å; H328-D431 IonicContact NE2-OD1 3.36Å
329L90.9Very high86.4Confident0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-59.5-39.9175.9-174.561.3000112.3F323 S325 L326 V332 L333 F338 W353 V367 L368F323-L329 HydrophobicContact CD1-CB 4.24Å; F323-L329 HydrophobicContact CD1-CD1 3.7Å; F323-L329 HydrophobicContact CD2-CD1 4.39Å; F323-L329 HydrophobicContact CE1-CD1 3.44Å; F323-L329 VanDerWaalsContact CE1-CD1 3.44Å; F323-L329 HydrophobicContact CE2-CD1 4.18Å; F323-L329 HydrophobicContact CG-CD1 4.17Å; F323-L329 HydrophobicContact CZ-CD1 3.7Å; S325-L329 PolarHBondContact O-N 3.48Å; L326-L329 PolarHBondContact O-N 3Å; L329-V332 PolarHBondContact O-N 3.35Å; L329-L333 HydrophobicContact CD1-CD1 3.68Å; L329-L333 HydrophobicContact CD1-CG 4.05Å; L329-L333 HydrophobicContact CG-CD1 3.91Å; L329-L333 WeakPolarHBondContact O-CB 3.33Å; L329-L333 WeakPolarHBondContact O-CG 3.09Å; L329-L333 PolarHBondContact O-N 2.91Å; L329-F338 HydrophobicContact CB-CE2 4.32Å; L329-F338 HydrophobicContact CD2-CD2 4.42Å; L329-F338 HydrophobicContact CD2-CE2 4.1Å; L329-F338 HydrophobicContact CG-CD2 4.14Å; L329-F338 HydrophobicContact CG-CE2 4.16Å; L329-W353 HydrophobicContact CD1-CH2 4.14Å; L329-W353 HydrophobicContact CD1-CZ2 4.48Å; L329-V367 HydrophobicContact CB-CG1 4.33Å; L329-V367 HydrophobicContact CD2-CG1 4.04Å; L329-L368 HydrophobicContact CD2-CD2 3.57Å; L329-L368 HydrophobicContact CD2-CG 3.94Å
330R91.7Very high88Confident54 Ų5444 Ų4420%0.20423%0.234CC..Hα-helixtrans-66.1-38.1174.6-177.7177.6178.8-98.23.2113L326 R327 H328 V332 G334 F338 S464L326-R330 WeakPolarHBondContact O-CB 3.39Å; L326-R330 PolarHBondContact O-N 2.77Å; R327-R330 PolarHBondContact O-N 3.06Å; H328-R330 VanDerWaalsContact C-N 3.3Å; H328-R330 PolarHBondContact O-N 3.13Å; R330-V332 VanDerWaalsContact C-N 3.34Å; R330-G334 CarbonylContact O-C 3.58Å; R330-G334 WeakPolarHBondContact O-CA 3.33Å; R330-G334 PolarHBondContact O-N 3.5Å; R330-F338 HydrophobicContact CB-CB 4.32Å; R330-F338 HydrophobicContact CB-CD1 3.93Å; R330-F338 HydrophobicContact CB-CD2 3.94Å; R330-F338 HydrophobicContact CB-CE1 4.23Å; R330-F338 HydrophobicContact CB-CE2 4.23Å; R330-F338 HydrophobicContact CB-CG 3.77Å; R330-F338 HydrophobicContact CB-CZ 4.37Å; R330-F338 HydrophobicContact CG-CB 4.16Å; R330-F338 HydrophobicContact CG-CD1 3.85Å; R330-F338 HydrophobicContact CG-CE1 4.44Å; R330-F338 HydrophobicContact CG-CG 3.94Å; R330-S464 PolarHBondContact NH2-OG 2.65Å
331Q89.9Confident89.2Confident117 Ų11742.2 Ų42.255%0.54722%0.216SC..Hα-helixtrans-65.5-38.6176.6-74.4165.5-30.900111.6R327 H328R327-Q331 WeakPolarHBondContact O-CG 3.01Å; R327-Q331 PolarHBondContact O-N 3.25Å; H328-Q331 PolarHBondContact O-N 2.52Å; H328-Q331 VanDerWaalsContact O-N 3.13Å
332V89.5Confident89.9Confident21 Ų2141.2 Ų41.213%0.12721%0.209CC..Hα-helixtrans-73.3-46.7-179.6174.80000112.2F323 H328 L329 R330 I433 S434 F439F323-V332 HydrophobicContact CE1-CB 4.1Å; F323-V332 HydrophobicContact CE1-CG1 4.06Å; F323-V332 HydrophobicContact CE1-CG2 4.03Å; F323-V332 HydrophobicContact CZ-CG1 4.47Å; H328-V332 VanDerWaalsContact O-CG2 3.29Å; H328-V332 WeakPolarHBondContact O-CG2 3.5Å; H328-V332 PolarHBondContact O-N 2.86Å; L329-V332 PolarHBondContact O-N 3.35Å; R330-V332 VanDerWaalsContact C-N 3.34Å; V332-I433 HydrophobicContact CG1-CG2 3.92Å; V332-I433 HydrophobicContact CG2-CG2 4.3Å; V332-S434 WeakPolarHBondContact CG2-OG 3.29Å; V332-F439 HydrophobicContact CG1-CD2 3.61Å; V332-F439 HydrophobicContact CG1-CE2 3.28Å; V332-F439 HydrophobicContact CG1-CZ 3.95Å
333L88.4Confident90.2Very high15 Ų1538 Ų388%0.07919%0.194CC..Hα-helixtrans-81.7-24.3-177-62.9177.6000113L329 D337 F338 L341 F439 I441L329-L333 HydrophobicContact CD1-CD1 3.68Å; L329-L333 HydrophobicContact CD1-CG 4.05Å; L329-L333 HydrophobicContact CG-CD1 3.91Å; L329-L333 WeakPolarHBondContact O-CB 3.33Å; L329-L333 WeakPolarHBondContact O-CG 3.09Å; L329-L333 PolarHBondContact O-N 2.91Å; L333-D337 HydrophobicContact CB-CB 4.37Å; L333-D337 WeakPolarHBondContact O-CB 3.28Å; L333-F338 HydrophobicContact CB-CB 4.4Å; L333-L341 HydrophobicContact CD1-CD2 3.61Å; L333-F439 HydrophobicContact CD2-CB 3.59Å; L333-F439 HydrophobicContact CD2-CD1 3.83Å; L333-F439 HydrophobicContact CD2-CD2 4.35Å; L333-F439 HydrophobicContact CD2-CG 3.65Å; L333-I441 HydrophobicContact CD1-CD1 4.19Å; L333-I441 HydrophobicContact CD2-CD1 4.36Å
334G88.9Confident90.3Very high32 Ų3237.4 Ų37.433%0.3319%0.192SC..  trans85.1161.7-168.500000112.6R330 F338R330-G334 CarbonylContact O-C 3.58Å; R330-G334 WeakPolarHBondContact O-CA 3.33Å; R330-G334 PolarHBondContact O-N 3.5Å; G334-F338 WeakPolarHBondContact O-CB 3.45Å; G334-F338 PolarHBondContact O-N 3.39Å
335A87.3Confident90.6Very high36 Ų3629.6 Ų29.630%0.29816%0.158SC..Hα-helixtrans-64.7-45.5-169.200000113.7R339A335-R339 VanDerWaalsContact O-CB 3.26Å; A335-R339 WeakPolarHBondContact O-CB 3.37Å; A335-R339 PolarHBondContact O-N 3.48Å
336N87.6Confident90.7Very high124 Ų12428.6 Ų28.666%0.66315%0.151SC*.Hα-helixtrans-68.8-49.1-175.1-66.6-11.6000111.8R339 Q340N336-R339 WeakPolarHBondContact O-CB 3.45Å; N336-R339 PolarHBondContact O-N 3.15Å; N336-Q340 PolarHBondContact O-N 3.49Å
337D89.6Confident90.7Very high59 Ų5928.8 Ų28.832%0.31615%0.152SC..Hα-helixtrans-62.9-44.2179.2-76.117.1000111L333 R339 Q340 L341 I441L333-D337 HydrophobicContact CB-CB 4.37Å; L333-D337 WeakPolarHBondContact O-CB 3.28Å; D337-R339 VanDerWaalsContact C-N 3.34Å; D337-R339 PolarHBondContact O-N 3.27Å; D337-Q340 PolarHBondContact O-N 3.18Å; D337-L341 WeakPolarHBondContact O-CB 3.47Å; D337-L341 PolarHBondContact O-N 3.5Å; D337-I441 HydrophobicContact CB-CD1 3.66Å; D337-I441 HydrophobicContact CB-CG1 4.2Å
338F91.4Very high90.8Very high4 Ų427.7 Ų27.72%0.01815%0.154CC..Hα-helixtrans-61.8-40.3173.8177.7-96.8000112.4L326 L329 R330 L333 G334 L341 S342 L463L326-F338 HydrophobicContact CD2-CE2 4.26Å; L326-F338 HydrophobicContact CD2-CZ 4.14Å; L329-F338 HydrophobicContact CB-CE2 4.32Å; L329-F338 HydrophobicContact CD2-CD2 4.42Å; L329-F338 HydrophobicContact CD2-CE2 4.1Å; L329-F338 HydrophobicContact CG-CD2 4.14Å; L329-F338 HydrophobicContact CG-CE2 4.16Å; R330-F338 HydrophobicContact CB-CB 4.32Å; R330-F338 HydrophobicContact CB-CD1 3.93Å; R330-F338 HydrophobicContact CB-CD2 3.94Å; R330-F338 HydrophobicContact CB-CE1 4.23Å; R330-F338 HydrophobicContact CB-CE2 4.23Å; R330-F338 HydrophobicContact CB-CG 3.77Å; R330-F338 HydrophobicContact CB-CZ 4.37Å; R330-F338 HydrophobicContact CG-CB 4.16Å; R330-F338 HydrophobicContact CG-CD1 3.85Å; R330-F338 HydrophobicContact CG-CE1 4.44Å; R330-F338 HydrophobicContact CG-CG 3.94Å; L333-F338 HydrophobicContact CB-CB 4.4Å; G334-F338 WeakPolarHBondContact O-CB 3.45Å; G334-F338 PolarHBondContact O-N 3.39Å; F338-L341 PolarHBondContact O-N 3.46Å; F338-S342 WeakPolarHBondContact CE1-OG 3.43Å; F338-S342 WeakPolarHBondContact CZ-OG 3.46Å; F338-S342 VanDerWaalsContact O-CB 3.24Å; F338-S342 WeakPolarHBondContact O-CB 3.49Å; F338-S342 PolarHBondContact O-N 3.32Å; F338-S342 PolarHBondContact O-OG 2.89Å; F338-L463 HydrophobicContact CE1-CD1 3.54Å; F338-L463 HydrophobicContact CZ-CD1 3.76Å
339R90.5Very high90.9Very high14 Ų1427.9 Ų27.95%0.05316%0.155CC..Hα-helixtrans-65.3-44178.4-178.7173175.687.63.4111.3A335 N336 D337 S342 W343 T449 D450 L456 N457 E460A335-R339 VanDerWaalsContact O-CB 3.26Å; A335-R339 WeakPolarHBondContact O-CB 3.37Å; A335-R339 PolarHBondContact O-N 3.48Å; N336-R339 WeakPolarHBondContact O-CB 3.45Å; N336-R339 PolarHBondContact O-N 3.15Å; D337-R339 VanDerWaalsContact C-N 3.34Å; D337-R339 PolarHBondContact O-N 3.27Å; R339-S342 PolarHBondContact O-N 3.01Å; R339-W343 WeakPolarHBondContact O-CB 3.46Å; R339-W343 PolarHBondContact O-N 3.03Å; R339-T449 PolarHBondContact NE-O 2.9Å; R339-T449 PolarHBondContact NH2-O 2.84Å; R339-D450 PolarHBondContact NH2-O 3.03Å; R339-L456 HydrophobicContact CG-CD2 4.28Å; R339-N457 PolarHBondContact NH1-OD1 3.49Å; R339-N457 PolarHBondContact NH2-OD1 3.44Å; R339-E460 IonicContact CZ-OE2 3.42Å; R339-E460 IonicContact NE-OE2 3.05Å; R339-E460 IonicContact NH1-OE2 3.94Å; R339-E460 PolarHBondContact NH1-OE2 3.46Å
340Q89.8Confident91.1Very high38 Ų3828.2 Ų28.218%0.17816%0.157CC..Hα-helixtrans-61.3-49175.4-173.9171.77.900111.2N336 D337 S342 W343 H344 S443 T449N336-Q340 PolarHBondContact O-N 3.49Å; D337-Q340 PolarHBondContact O-N 3.18Å; Q340-S342 PolarHBondContact O-N 3.48Å; Q340-W343 PolarHBondContact O-N 3.22Å; Q340-H344 PolarHBondContact O-CD2 3.37Å; Q340-H344 VanDerWaalsContact O-CD2 3.24Å; Q340-H344 PolarHBondContact O-N 3.19Å; Q340-H344 VanDerWaalsContact O-N 3.12Å; Q340-S443 PolarHBondContact NE2-OG 2.9Å; Q340-T449 HydrophobicContact CB-CG2 4.41Å; Q340-T449 HydrophobicContact CG-CG2 4.4Å
341L92.3Very high91.2Very high0 Ų025.7 Ų25.70%015%0.147CC..Hα-helixtrans-58-48.8176.417861.9000112L333 D337 F338 W343 H344 V345 V351 W353 L368 V414 V416 I441L333-L341 HydrophobicContact CD1-CD2 3.61Å; D337-L341 WeakPolarHBondContact O-CB 3.47Å; D337-L341 PolarHBondContact O-N 3.5Å; F338-L341 PolarHBondContact O-N 3.46Å; L341-W343 VanDerWaalsContact C-N 3.3Å; L341-W343 PolarHBondContact O-N 2.97Å; L341-H344 PolarHBondContact O-N 2.83Å; L341-V345 VanDerWaalsContact O-CG2 3.32Å; L341-V345 WeakPolarHBondContact O-CG2 3.04Å; L341-V345 PolarHBondContact O-N 3.33Å; L341-V351 HydrophobicContact CD1-CG1 3.86Å; L341-W353 HydrophobicContact CD2-CZ2 4.2Å; L341-L368 HydrophobicContact CD2-CD1 4.16Å; L341-L368 HydrophobicContact CD2-CD2 4.16Å; L341-L368 HydrophobicContact CG-CD1 4.49Å; L341-L368 HydrophobicContact CG-CD2 4.38Å; L341-V414 HydrophobicContact CD1-CG1 3.94Å; L341-V414 HydrophobicContact CD1-CG2 4.4Å; L341-V416 HydrophobicContact CD1-CG2 4.02Å; L341-V416 HydrophobicContact CD2-CG2 4.49Å; L341-I441 HydrophobicContact CB-CD1 4.25Å
342S92.9Very high91.5Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-63.6-35.2-179.6-61.40000112.3F338 R339 Q340 V345 L346F338-S342 WeakPolarHBondContact CE1-OG 3.43Å; F338-S342 WeakPolarHBondContact CZ-OG 3.46Å; F338-S342 VanDerWaalsContact O-CB 3.24Å; F338-S342 WeakPolarHBondContact O-CB 3.49Å; F338-S342 PolarHBondContact O-N 3.32Å; F338-S342 PolarHBondContact O-OG 2.89Å; R339-S342 PolarHBondContact O-N 3.01Å; Q340-S342 PolarHBondContact O-N 3.48Å; S342-V345 PolarHBondContact O-N 3.27Å; S342-L346 WeakPolarHBondContact O-CB 3.39Å; S342-L346 VanDerWaalsContact O-CG 3.28Å; S342-L346 WeakPolarHBondContact O-CG 3.27Å; S342-L346 PolarHBondContact O-N 3.36Å
343W92.1Very high91.7Very high14 Ų1419.2 Ų19.25%0.05312%0.115CC..Hα-helixtrans-63.1-48.5173.8-176.596.4000111.4R339 Q340 L341 V345 L346 M347 N349 N445 L456 D521R339-W343 WeakPolarHBondContact O-CB 3.46Å; R339-W343 PolarHBondContact O-N 3.03Å; Q340-W343 PolarHBondContact O-N 3.22Å; L341-W343 VanDerWaalsContact C-N 3.3Å; L341-W343 PolarHBondContact O-N 2.97Å; W343-V345 VanDerWaalsContact C-N 3.3Å; W343-V345 PolarHBondContact O-N 3.17Å; W343-L346 PolarHBondContact O-N 3.23Å; W343-M347 HydrophobicContact CD2-CG 3.93Å; W343-M347 HydrophobicContact CE3-CG 4.19Å; W343-M347 HydrophobicContact CH2-CG 4.13Å; W343-M347 HydrophobicContact CZ2-CE 4.1Å; W343-M347 HydrophobicContact CZ2-CG 3.88Å; W343-M347 HydrophobicContact CZ3-CG 4.28Å; W343-M347 VanDerWaalsContact O-CG 3.29Å; W343-M347 WeakPolarHBondContact O-CG 3.46Å; W343-M347 PolarHBondContact O-N 3.41Å; W343-N349 WeakPolarHBondContact CZ3-ND2 3.43Å; W343-N445 WeakPolarHBondContact CH2-ND2 3.43Å; W343-N445 WeakPolarHBondContact CZ3-ND2 3.19Å; W343-L456 HydrophobicContact CB-CD2 3.9Å; W343-D521 PolarHBondContact NE1-OD2 3.16Å
344H91.9Very high91.9Very high0 Ų021.1 Ų21.10%012%0.122CC..Hα-helixtrans-60.4-40.7176.9-80.2-85.1000111.9Q340 L341 M347 G348 N349 E411 S413 V414 S443Q340-H344 PolarHBondContact O-CD2 3.37Å; Q340-H344 VanDerWaalsContact O-CD2 3.24Å; Q340-H344 PolarHBondContact O-N 3.19Å; Q340-H344 VanDerWaalsContact O-N 3.12Å; L341-H344 PolarHBondContact O-N 2.83Å; H344-M347 PolarHBondContact O-N 3.41Å; H344-G348 PolarHBondContact O-N 2.97Å; H344-N349 HydrophobicContact CB-CB 4.03Å; H344-N349 PolarHBondContact ND1-ND2 3.04Å; H344-N349 VanDerWaalsContact ND1-ND2 3.12Å; H344-N349 WeakPolarHBondContact O-CB 3.4Å; H344-N349 PolarHBondContact O-N 2.92Å; H344-E411 PolarHBondContact CE1-O 3.2Å; H344-E411 VanDerWaalsContact CE1-O 3.26Å; H344-S413 PolarHBondContact CE1-O 2.69Å; H344-V414 HydrophobicContact CB-CB 4.12Å; H344-V414 HydrophobicContact CB-CG1 3.65Å; H344-S443 PolarHBondContact CE1-OG 3.31Å; H344-S443 PolarHBondContact NE2-OG 2.85Å
345V94.3Very high91.9Very high2 Ų219.7 Ų19.71%0.01211%0.106CC..Hα-helixtrans-58.7-52.3174.8171.10000110.9L341 S342 W343 M347 G348 V351 L368 L371 L372 F394L341-V345 VanDerWaalsContact O-CG2 3.32Å; L341-V345 WeakPolarHBondContact O-CG2 3.04Å; L341-V345 PolarHBondContact O-N 3.33Å; S342-V345 PolarHBondContact O-N 3.27Å; W343-V345 VanDerWaalsContact C-N 3.3Å; W343-V345 PolarHBondContact O-N 3.17Å; V345-M347 VanDerWaalsContact C-N 3.29Å; V345-M347 PolarHBondContact O-N 3.25Å; V345-G348 PolarHBondContact O-N 2.84Å; V345-G348 VanDerWaalsContact O-N 3.11Å; V345-V351 HydrophobicContact CG2-CG2 3.72Å; V345-L368 HydrophobicContact CG2-CD1 4.48Å; V345-L368 HydrophobicContact CG2-CD2 4.24Å; V345-L371 HydrophobicContact CG1-CB 4.15Å; V345-L371 HydrophobicContact CG1-CD1 4.08Å; V345-L372 HydrophobicContact CG1-CD1 3.89Å; V345-L372 HydrophobicContact CG1-CD2 4.48Å; V345-L372 HydrophobicContact CG1-CG 3.89Å; V345-F394 HydrophobicContact CG1-CZ 3.99Å; V345-F394 HydrophobicContact CG2-CE1 4.19Å; V345-F394 HydrophobicContact CG2-CZ 4.42Å
346L93.1Very high91.9Very high0 Ų021.6 Ų21.60%012%0.123CC..Hα-helixtrans-64.5-32.5-177-72.5173.2000113.5S342 W343 G348 L371 L372 P453 L455 L456 L525 Y528 W529S342-L346 WeakPolarHBondContact O-CB 3.39Å; S342-L346 VanDerWaalsContact O-CG 3.28Å; S342-L346 WeakPolarHBondContact O-CG 3.27Å; S342-L346 PolarHBondContact O-N 3.36Å; W343-L346 PolarHBondContact O-N 3.23Å; L346-G348 VanDerWaalsContact C-N 3.3Å; L346-L371 HydrophobicContact CD2-CB 4.34Å; L346-L372 HydrophobicContact CD2-CD2 4.41Å; L346-P453 HydrophobicContact CD1-CG 4.4Å; L346-L455 HydrophobicContact CD1-CD2 3.62Å; L346-L455 HydrophobicContact CD2-CD2 3.6Å; L346-L455 HydrophobicContact CG-CD2 4.28Å; L346-L456 HydrophobicContact CD1-CB 3.76Å; L346-L456 HydrophobicContact CD1-CD1 4.01Å; L346-L456 HydrophobicContact CD1-CG 4.32Å; L346-L525 HydrophobicContact CB-CD1 4.1Å; L346-Y528 WeakPolarHBondContact O-CD1 3.26Å; L346-W529 HydrophobicContact CD2-CZ2 3.8Å; L346-W529 PolarHBondContact O-NE1 3.35Å
347M91.6Very high91.9Very high18 Ų1817.1 Ų17.19%0.08910%0.099CC..Hα-helixtrans-79.3-10176.9-64.7-55.6173.500113.7W343 H344 V345 N349 P453 D521 R524 L525W343-M347 HydrophobicContact CD2-CG 3.93Å; W343-M347 HydrophobicContact CE3-CG 4.19Å; W343-M347 HydrophobicContact CH2-CG 4.13Å; W343-M347 HydrophobicContact CZ2-CE 4.1Å; W343-M347 HydrophobicContact CZ2-CG 3.88Å; W343-M347 HydrophobicContact CZ3-CG 4.28Å; W343-M347 VanDerWaalsContact O-CG 3.29Å; W343-M347 WeakPolarHBondContact O-CG 3.46Å; W343-M347 PolarHBondContact O-N 3.41Å; H344-M347 PolarHBondContact O-N 3.41Å; V345-M347 VanDerWaalsContact C-N 3.29Å; V345-M347 PolarHBondContact O-N 3.25Å; M347-N349 VanDerWaalsContact C-N 3.33Å; M347-P453 HydrophobicContact CE-CB 4.47Å; M347-P453 HydrophobicContact CE-CG 3.93Å; M347-D521 HydrophobicContact CE-CB 3.52Å; M347-D521 VanDerWaalsContact CE-CG 3.5Å; M347-R524 HydrophobicContact SD-CB 3.99Å; M347-L525 HydrophobicContact SD-CB 4.3Å
348G92.1Very high91.8Very high18 Ų1817.2 Ų17.219%0.18610%0.103CC..THydrogen-bonded Turntrans79.616.7-179.300000115.1H344 V345 L346 Y528H344-G348 PolarHBondContact O-N 2.97Å; V345-G348 PolarHBondContact O-N 2.84Å; V345-G348 VanDerWaalsContact O-N 3.11Å; L346-G348 VanDerWaalsContact C-N 3.3Å; G348-Y528 WeakPolarHBondContact CA-OH 3.37Å
349N93.2Very high91.6Very high20 Ų2017.4 Ų17.411%0.10711%0.106CC..  trans-67.1162.1174.5-70.4-23000110.3W343 H344 M347 V351 F412W343-N349 WeakPolarHBondContact CZ3-ND2 3.43Å; H344-N349 HydrophobicContact CB-CB 4.03Å; H344-N349 PolarHBondContact ND1-ND2 3.04Å; H344-N349 VanDerWaalsContact ND1-ND2 3.12Å; H344-N349 WeakPolarHBondContact O-CB 3.4Å; H344-N349 PolarHBondContact O-N 2.92Å; M347-N349 VanDerWaalsContact C-N 3.33Å; N349-V351 PolarHBondContact O-N 3.28Å; N349-F412 VanDerWaalsContact CB-O 3.26Å; N349-F412 WeakPolarHBondContact CB-O 3.34Å
350Q94.6Very high91.5Very high7 Ų716.8 Ų16.83%0.03310%0.103CC..EExtended strand (participates in β ladder)trans-75.6121.7179.8-164.3179.236.100110.5I352 Y386 E387 A389 F412 S413 V414Q350-I352 HydrophobicContact CG-CG1 4.03Å; Q350-Y386 PolarHBondContact OE1-OH 2.81Å; Q350-E387 PolarHBondContact NE2-O 3.13Å; Q350-A389 HydrophobicContact CB-CB 4.33Å; Q350-F412 PolarHBondContact N-O 3.47Å; Q350-S413 CarbonylContact O-C 3.52Å; Q350-S413 WeakPolarHBondContact O-CA 3.27Å; Q350-V414 PolarHBondContact O-N 3.03Å
351V95.3Very high91.6Very high1 Ų115 Ų151%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-103.4109.3178.3179.70000108.3L341 V345 N349 L368 N393 F394 L395 V414L341-V351 HydrophobicContact CD1-CG1 3.86Å; V345-V351 HydrophobicContact CG2-CG2 3.72Å; N349-V351 PolarHBondContact O-N 3.28Å; V351-L368 HydrophobicContact CG1-CD1 4.45Å; V351-N393 PolarHBondContact N-O 2.89Å; V351-F394 HydrophobicContact CB-CD1 4.02Å; V351-F394 HydrophobicContact CB-CE1 4.29Å; V351-F394 HydrophobicContact CG1-CD1 4.19Å; V351-F394 HydrophobicContact CG1-CE1 4.39Å; V351-F394 HydrophobicContact CG2-CE1 4.37Å; V351-L395 PolarHBondContact O-N 3.49Å; V351-V414 HydrophobicContact CB-CG1 4.18Å; V351-V414 HydrophobicContact CG1-CG1 4.2Å; V351-V414 HydrophobicContact CG2-CG1 3.85Å
352I94.9Very high91.5Very high1 Ų118.3 Ų18.31%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-107.3121.5-176.1-53.3171.9000108.4Q350 Y386 L395 L397 I403 V407 V414 L415 V416Q350-I352 HydrophobicContact CG-CG1 4.03Å; I352-Y386 HydrophobicContact CD1-CE2 3.88Å; I352-L395 WeakPolarHBondContact CA-O 3.44Å; I352-L395 HydrophobicContact CG1-CD2 4.44Å; I352-L397 HydrophobicContact CG2-CD1 3.6Å; I352-L397 HydrophobicContact CG2-CG 4.19Å; I352-I403 HydrophobicContact CG2-CD1 4.36Å; I352-V407 HydrophobicContact CD1-CG1 3.87Å; I352-V414 PolarHBondContact N-O 2.93Å; I352-L415 HydrophobicContact CB-CD1 4.02Å; I352-L415 HydrophobicContact CG2-CD1 3.78Å; I352-V416 PolarHBondContact O-N 2.64Å
353W94.1Very high91.4Very high0 Ų018.9 Ų18.90%011%0.114CC..EExtended strand (participates in β ladder)trans-112.9117.8176.2-85.954.2000109.6F323 L329 L341 I361 A364 F365 L368 L395 G396 L397 V416 V418 F439F323-W353 AromaticContact CE2-CH2 3.85Å; F323-W353 HydrophobicContact CE2-CH2 3.85Å; F323-W353 AromaticContact CE2-CZ3 3.86Å; F323-W353 HydrophobicContact CE2-CZ3 3.86Å; F323-W353 HydrophobicContact CZ-CH2 4.14Å; F323-W353 HydrophobicContact CZ-CZ3 4.4Å; L329-W353 HydrophobicContact CD1-CH2 4.14Å; L329-W353 HydrophobicContact CD1-CZ2 4.48Å; L341-W353 HydrophobicContact CD2-CZ2 4.2Å; W353-I361 HydrophobicContact CB-CG1 4.34Å; W353-I361 HydrophobicContact CB-CG2 4.23Å; W353-A364 HydrophobicContact CD2-CB 4.06Å; W353-A364 HydrophobicContact CE3-CB 3.67Å; W353-A364 HydrophobicContact CH2-CB 3.27Å; W353-A364 HydrophobicContact CZ2-CB 3.67Å; W353-A364 HydrophobicContact CZ3-CB 3.27Å; W353-F365 HydrophobicContact CB-CE1 3.99Å; W353-F365 HydrophobicContact CB-CZ 3.95Å; W353-F365 AromaticContact CD1-CE1 3.67Å; W353-F365 HydrophobicContact CD2-CE1 4.46Å; W353-F365 AromaticContact CG-CE1 3.75Å; W353-F365 HydrophobicContact CG-CE1 3.75Å; W353-F365 HydrophobicContact CG-CZ 4.22Å; W353-L368 HydrophobicContact CZ2-CD1 4.2Å; W353-L395 PolarHBondContact N-O 3.31Å; W353-G396 WeakPolarHBondContact O-CA 3.44Å; W353-L397 PolarHBondContact O-N 2.95Å; W353-V416 HydrophobicContact CD2-CB 4.13Å; W353-V416 HydrophobicContact CD2-CG1 4.17Å; W353-V416 HydrophobicContact CE3-CG1 4.4Å; W353-V416 HydrophobicContact CG-CB 4.15Å; W353-V416 HydrophobicContact CH2-CG1 4.3Å; W353-V416 HydrophobicContact CZ2-CB 4.49Å; W353-V416 HydrophobicContact CZ2-CG1 4.08Å; W353-V416 HydrophobicContact CZ2-CG2 4.4Å; W353-V416 HydrophobicContact CZ3-CG1 4.45Å; W353-V418 HydrophobicContact CE3-CG2 4.43Å; W353-V418 HydrophobicContact CZ3-CG2 4.47Å; W353-F439 HydrophobicContact CZ3-CE1 4.3Å
354R92.7Very high91.4Very high55 Ų5518.2 Ų18.221%0.20811%0.112CC..EExtended strand (participates in β ladder)trans-105118.1174.7-71.9-162-61.5171.24.4110.1L397 L415 V416 D417 V418R354-L397 WeakPolarHBondContact CA-O 3.45Å; R354-L397 HydrophobicContact CG-CB 3.92Å; R354-L397 HydrophobicContact CG-CD1 4.42Å; R354-L415 HydrophobicContact CG-CD1 4.02Å; R354-V416 PolarHBondContact N-O 3.04Å; R354-D417 WeakPolarHBondContact CB-OD1 3.5Å; R354-D417 IonicContact CZ-OD1 2.78Å; R354-D417 IonicContact CZ-OD2 3.51Å; R354-D417 IonicContact NE-OD1 3.82Å; R354-D417 PolarHBondContact NE-OD1 2.89Å; R354-D417 IonicContact NE-OD2 3.53Å; R354-D417 IonicContact NH2-OD1 3.22Å; R354-D417 PolarHBondContact NH2-OD1 3.19Å; R354-D417 IonicContact NH2-OD2 3.45Å; R354-D417 PolarHBondContact NH2-OD2 2.94Å; R354-V418 WeakPolarHBondContact O-CB 3.12Å; R354-V418 PolarHBondContact O-N 3.16Å
355S89.9Confident91.6Very high2 Ų218.3 Ų18.31%0.01411%0.112CC..  trans-155.1150175.5-173.80000110.4D357 L397S355-D357 PolarHBondContact OG-N 2.76Å; S355-L397 PolarHBondContact N-O 3.43Å
356A87.1Confident91.5Very high77 Ų7722.6 Ų22.664%0.63614%0.139SC*.SBendtrans-71.7-21.3170.200000112.3P358 P399A356-P358 WeakPolarHBondContact O-CD 3.3Å; A356-P399 HydrophobicContact CB-CG 3.95Å
357D87.5Confident91.5Very high30 Ų3023.3 Ų23.316%0.1614%0.143CC..  trans-99.1108.4-179-176.91.1000111.3S355 G359 L360 I361 Y437S355-D357 PolarHBondContact OG-N 2.76Å; D357-G359 VanDerWaalsContact C-N 3.32Å; D357-G359 PolarHBondContact O-N 3.29Å; D357-G359 PolarHBondContact OD1-N 2.78Å; D357-L360 HydrophobicContact CB-CB 4.12Å; D357-I361 PolarHBondContact O-N 3.21Å; D357-Y437 PolarHBondContact OD2-OH 3.43Å
358P87.1Confident91.6Very high61 Ų6122.4 Ų22.440%0.39614%0.138SC..Hα-helixtrans-69.2-27.9177.528.3-34000112.9A356 I361 Q362 Y382A356-P358 WeakPolarHBondContact O-CD 3.3Å; P358-I361 PolarHBondContact O-N 2.77Å; P358-Q362 WeakPolarHBondContact O-CB 3.49Å; P358-Q362 PolarHBondContact O-N 2.91Å; P358-Y382 HydrophobicContact CB-CD2 4.12Å; P358-Y382 HydrophobicContact CB-CE2 4.43Å; P358-Y382 HydrophobicContact CB-CG 4.23Å
359G86.9Confident91.7Very high8 Ų824.8 Ų24.88%0.08214%0.143CC..Hα-helixtrans-66.6-39.6179.200000112D357 Q362 S363D357-G359 VanDerWaalsContact C-N 3.32Å; D357-G359 PolarHBondContact O-N 3.29Å; D357-G359 PolarHBondContact OD1-N 2.78Å; G359-Q362 PolarHBondContact O-N 3.34Å; G359-S363 PolarHBondContact O-N 3.37Å
360L88.9Confident91.7Very high0 Ų026.1 Ų26.10%016%0.155CC..Hα-helixtrans-62.4-46.4174.1-174.766.4000111.5P321 F323 D357 Q362 S363 A364 V418 I433 Y437 F439P321-L360 WeakPolarHBondContact O-CD1 3.48Å; F323-L360 HydrophobicContact CD2-CD1 3.93Å; F323-L360 HydrophobicContact CE2-CD1 3.42Å; F323-L360 VanDerWaalsContact CE2-CD1 3.42Å; F323-L360 HydrophobicContact CE2-CG 4.01Å; F323-L360 HydrophobicContact CZ-CD1 4.03Å; D357-L360 HydrophobicContact CB-CB 4.12Å; L360-Q362 PolarHBondContact O-N 2.96Å; L360-S363 PolarHBondContact O-N 2.95Å; L360-S363 PolarHBondContact O-OG 3.16Å; L360-A364 PolarHBondContact O-N 3.37Å; L360-V418 HydrophobicContact CD2-CG1 3.85Å; L360-I433 HydrophobicContact CD1-CD1 4.34Å; L360-I433 HydrophobicContact CD1-CG1 4.43Å; L360-I433 HydrophobicContact CD1-CG2 4.48Å; L360-Y437 HydrophobicContact CD2-CD1 4.34Å; L360-Y437 HydrophobicContact CD2-CD2 4.32Å; L360-Y437 HydrophobicContact CD2-CE1 4.3Å; L360-Y437 HydrophobicContact CD2-CE2 4.32Å; L360-Y437 HydrophobicContact CD2-CG 4.33Å; L360-F439 HydrophobicContact CD2-CE1 4.37Å; L360-F439 HydrophobicContact CD2-CZ 4.32Å
361I90.3Very high91.7Very high0 Ų025.8 Ų25.80%015%0.153CC..Hα-helixtrans-60.7-47177.8-65.4171.4000110.7W353 D357 P358 S363 A364 F365 P381 Y382W353-I361 HydrophobicContact CB-CG1 4.34Å; W353-I361 HydrophobicContact CB-CG2 4.23Å; D357-I361 PolarHBondContact O-N 3.21Å; P358-I361 PolarHBondContact O-N 2.77Å; I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 3.07Å; I361-A364 PolarHBondContact O-N 2.8Å; I361-F365 HydrophobicContact CG2-CD2 3.77Å; I361-F365 HydrophobicContact CG2-CE1 4.33Å; I361-F365 HydrophobicContact CG2-CE2 3.33Å; I361-F365 HydrophobicContact CG2-CG 4.43Å; I361-F365 HydrophobicContact CG2-CZ 3.65Å; I361-F365 WeakPolarHBondContact O-CG 3.33Å; I361-F365 PolarHBondContact O-N 3.5Å; I361-P381 WeakPolarHBondContact CG2-O 3.36Å; I361-Y382 HydrophobicContact CD1-CD2 3.72Å; I361-Y382 HydrophobicContact CD1-CE2 3.78Å
362Q90.9Very high91.6Very high70 Ų7025.8 Ų25.833%0.32715%0.153SC..Hα-helixtrans-60.6-44179.6-171.8177.5-4.200111.1S315 P358 G359 L360 A364 F365 T366S315-Q362 PolarHBondContact OG-NE2 3.36Å; S315-Q362 VanDerWaalsContact OG-NE2 3.15Å; P358-Q362 WeakPolarHBondContact O-CB 3.49Å; P358-Q362 PolarHBondContact O-N 2.91Å; G359-Q362 PolarHBondContact O-N 3.34Å; L360-Q362 PolarHBondContact O-N 2.96Å; Q362-A364 PolarHBondContact O-N 3.35Å; Q362-F365 PolarHBondContact O-N 3.1Å; Q362-T366 PolarHBondContact O-N 2.82Å; Q362-T366 PolarHBondContact O-OG1 3.46Å
363S92.1Very high91.6Very high12 Ų1225.7 Ų25.78%0.08415%0.153CC..Hα-helixtrans-64.3-38.7177.2760000112.8F323 G359 L360 I361 T366 V367F323-S363 WeakPolarHBondContact CD2-OG 3.27Å; F323-S363 PolarHBondContact N-OG 3.38Å; G359-S363 PolarHBondContact O-N 3.37Å; L360-S363 PolarHBondContact O-N 2.95Å; L360-S363 PolarHBondContact O-OG 3.16Å; I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 3.07Å; S363-T366 PolarHBondContact O-N 3.39Å; S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 3.18Å
364A92.1Very high91.5Very high0 Ų027.3 Ų27.30%016%0.162CC..Hα-helixtrans-64.3-44.7175.900000111.8F323 W353 L360 I361 Q362 V367 L368F323-A364 HydrophobicContact CD2-CB 3.72Å; F323-A364 HydrophobicContact CE2-CB 3.84Å; W353-A364 HydrophobicContact CD2-CB 4.06Å; W353-A364 HydrophobicContact CE3-CB 3.67Å; W353-A364 HydrophobicContact CH2-CB 3.27Å; W353-A364 HydrophobicContact CZ2-CB 3.67Å; W353-A364 HydrophobicContact CZ3-CB 3.27Å; L360-A364 PolarHBondContact O-N 3.37Å; I361-A364 PolarHBondContact O-N 2.8Å; Q362-A364 PolarHBondContact O-N 3.35Å; A364-V367 PolarHBondContact O-N 3.04Å; A364-L368 WeakPolarHBondContact O-CB 3.44Å; A364-L368 WeakPolarHBondContact O-CG 2.85Å; A364-L368 PolarHBondContact O-N 3.03Å
365F94.4Very high91.3Very high3 Ų325.7 Ų25.71%0.01316%0.163CC..Hα-helixtrans-64.2-40.8176.3-69.9-17.6000112.3W353 I361 Q362 V367 L368 K369 F394W353-F365 HydrophobicContact CB-CE1 3.99Å; W353-F365 HydrophobicContact CB-CZ 3.95Å; W353-F365 AromaticContact CD1-CE1 3.67Å; W353-F365 HydrophobicContact CD2-CE1 4.46Å; W353-F365 AromaticContact CG-CE1 3.75Å; W353-F365 HydrophobicContact CG-CE1 3.75Å; W353-F365 HydrophobicContact CG-CZ 4.22Å; I361-F365 HydrophobicContact CG2-CD2 3.77Å; I361-F365 HydrophobicContact CG2-CE1 4.33Å; I361-F365 HydrophobicContact CG2-CE2 3.33Å; I361-F365 HydrophobicContact CG2-CG 4.43Å; I361-F365 HydrophobicContact CG2-CZ 3.65Å; I361-F365 WeakPolarHBondContact O-CG 3.33Å; I361-F365 PolarHBondContact O-N 3.5Å; Q362-F365 PolarHBondContact O-N 3.1Å; F365-V367 VanDerWaalsContact C-N 3.26Å; F365-V367 PolarHBondContact O-N 3.4Å; F365-L368 PolarHBondContact O-N 3.05Å; F365-K369 WeakPolarHBondContact O-CB 3.31Å; F365-K369 WeakPolarHBondContact O-CD 3.43Å; F365-K369 WeakPolarHBondContact O-CG 3.45Å; F365-K369 PolarHBondContact O-N 3.43Å; F365-F394 HydrophobicContact CD1-CB 4.26Å; F365-F394 AromaticContact CD1-CD1 3.71Å; F365-F394 HydrophobicContact CD1-CD1 3.71Å; F365-F394 HydrophobicContact CD1-CG 4.36Å; F365-F394 HydrophobicContact CD2-CB 4.46Å; F365-F394 HydrophobicContact CE1-CB 4.15Å; F365-F394 AromaticContact CE1-CD1 3.93Å; F365-F394 HydrophobicContact CE1-CD1 3.93Å; F365-F394 HydrophobicContact CE2-CB 4.35Å; F365-F394 HydrophobicContact CG-CB 4.42Å; F365-F394 HydrophobicContact CG-CD1 4.41Å; F365-F394 HydrophobicContact CZ-CB 4.21Å
366T92.8Very high91.5Very high92 Ų9225.8 Ų25.856%0.56416%0.163SC*.Hα-helixtrans-56.3-43.4175-60.90000111.5Q362 S363Q362-T366 PolarHBondContact O-N 2.82Å; Q362-T366 PolarHBondContact O-OG1 3.46Å; S363-T366 PolarHBondContact O-N 3.39Å
367V93.5Very high91.8Very high14 Ų1422.8 Ų22.89%0.08514%0.137CC..Hα-helixtrans-69.1-44.9177.6172.90000112F323 L326 L329 S363 A364 F365 S370F323-V367 HydrophobicContact CB-CG2 4Å; L326-V367 HydrophobicContact CB-CG1 4.29Å; L326-V367 HydrophobicContact CD2-CG1 3.52Å; L326-V367 HydrophobicContact CG-CG1 3.72Å; L329-V367 HydrophobicContact CB-CG1 4.33Å; L329-V367 HydrophobicContact CD2-CG1 4.04Å; S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 3.18Å; A364-V367 PolarHBondContact O-N 3.04Å; F365-V367 VanDerWaalsContact C-N 3.26Å; F365-V367 PolarHBondContact O-N 3.4Å; V367-S370 PolarHBondContact O-N 3.41Å; V367-S370 PolarHBondContact O-OG 2.9Å
368L94.4Very high92Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-70.9-34.1-178.7-69.1174.2000113L329 L341 V345 V351 W353 A364 F365 S370 L371 F394L329-L368 HydrophobicContact CD2-CD2 3.57Å; L329-L368 HydrophobicContact CD2-CG 3.94Å; L341-L368 HydrophobicContact CD2-CD1 4.16Å; L341-L368 HydrophobicContact CD2-CD2 4.16Å; L341-L368 HydrophobicContact CG-CD1 4.49Å; L341-L368 HydrophobicContact CG-CD2 4.38Å; V345-L368 HydrophobicContact CG2-CD1 4.48Å; V345-L368 HydrophobicContact CG2-CD2 4.24Å; V351-L368 HydrophobicContact CG1-CD1 4.45Å; W353-L368 HydrophobicContact CZ2-CD1 4.2Å; A364-L368 WeakPolarHBondContact O-CB 3.44Å; A364-L368 WeakPolarHBondContact O-CG 2.85Å; A364-L368 PolarHBondContact O-N 3.03Å; F365-L368 PolarHBondContact O-N 3.05Å; L368-S370 PolarHBondContact O-N 2.9Å; L368-L371 HydrophobicContact CD2-CD1 4.22Å; L368-L371 VanDerWaalsContact O-CB 3.3Å; L368-L371 WeakPolarHBondContact O-CB 3.47Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-L371 VanDerWaalsContact O-N 3.11Å; L368-F394 HydrophobicContact CB-CE1 3.8Å; L368-F394 HydrophobicContact CB-CZ 4.29Å; L368-F394 HydrophobicContact CD1-CE1 4.32Å
369K93.8Very high92.3Very high67 Ų6725.9 Ų25.929%0.29115%0.145SC..Hα-helixtrans-60.1-29.1175.8-76.1171.4178.1-177.80112.1F365 L371 L372 V377 S379 F394F365-K369 WeakPolarHBondContact O-CB 3.31Å; F365-K369 WeakPolarHBondContact O-CD 3.43Å; F365-K369 WeakPolarHBondContact O-CG 3.45Å; F365-K369 PolarHBondContact O-N 3.43Å; K369-L371 PolarHBondContact O-N 3.35Å; K369-L371 VanDerWaalsContact O-N 3.14Å; K369-L372 PolarHBondContact O-N 3.21Å; K369-V377 HydrophobicContact CB-CG2 4.48Å; K369-V377 HydrophobicContact CD-CG1 3.94Å; K369-V377 HydrophobicContact CG-CG1 3.7Å; K369-V377 HydrophobicContact CG-CG2 4.29Å; K369-S379 VanDerWaalsContact CE-CB 3.42Å; K369-S379 VanDerWaalsContact CE-OG 3.3Å; K369-S379 WeakPolarHBondContact CE-OG 3.18Å; K369-S379 PolarHBondContact NZ-OG 2.96Å; K369-F394 HydrophobicContact CG-CE2 4.23Å; K369-F394 HydrophobicContact CG-CZ 4.47Å
370S93Very high92.6Very high49 Ų4927.6 Ų27.634%0.34315%0.154SC..THydrogen-bonded Turntrans-64-18.7178.484.60000113.2V367 L368 L372 L477 K481V367-S370 PolarHBondContact O-N 3.41Å; V367-S370 PolarHBondContact O-OG 2.9Å; L368-S370 PolarHBondContact O-N 2.9Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L477 WeakPolarHBondContact O-CD2 3.21Å; S370-K481 VanDerWaalsContact O-CD 3.26Å; S370-K481 WeakPolarHBondContact O-CD 3.48Å
371L93.3Very high92.6Very high0 Ų031.3 Ų31.30%018%0.178CC..THydrogen-bonded Turntrans-74.9-21.5176-62.4174.2000113.1L326 V345 L346 L368 K369 L459 L477L326-L371 HydrophobicContact CD1-CD2 3.61Å; L326-L371 HydrophobicContact CD1-CG 4.29Å; L326-L371 HydrophobicContact CD2-CD1 4.08Å; L326-L371 HydrophobicContact CD2-CD2 4Å; L326-L371 HydrophobicContact CD2-CG 4Å; L326-L371 HydrophobicContact CG-CD2 4.49Å; V345-L371 HydrophobicContact CG1-CB 4.15Å; V345-L371 HydrophobicContact CG1-CD1 4.08Å; L346-L371 HydrophobicContact CD2-CB 4.34Å; L368-L371 HydrophobicContact CD2-CD1 4.22Å; L368-L371 VanDerWaalsContact O-CB 3.3Å; L368-L371 WeakPolarHBondContact O-CB 3.47Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-L371 VanDerWaalsContact O-N 3.11Å; K369-L371 PolarHBondContact O-N 3.35Å; K369-L371 VanDerWaalsContact O-N 3.14Å; L371-L459 HydrophobicContact CD2-CD2 3.32Å; L371-L477 HydrophobicContact CD2-CD1 4.04Å; L371-L477 HydrophobicContact CD2-CD2 4.06Å
372L94.6Very high92.7Very high0 Ų035.6 Ų35.60%020%0.195CC..SBendtrans-109.8152.1-173.7-70.3177.9000111.9V345 L346 K369 S370 C376 V377 F394 K481 Y528 W529V345-L372 HydrophobicContact CG1-CD1 3.89Å; V345-L372 HydrophobicContact CG1-CD2 4.48Å; V345-L372 HydrophobicContact CG1-CG 3.89Å; L346-L372 HydrophobicContact CD2-CD2 4.41Å; K369-L372 PolarHBondContact O-N 3.21Å; S370-L372 VanDerWaalsContact C-N 3.32Å; L372-C376 HydrophobicContact CB-CB 4.42Å; L372-V377 HydrophobicContact CB-CG2 3.86Å; L372-V377 HydrophobicContact CD1-CG2 4.23Å; L372-F394 HydrophobicContact CD1-CE2 3.93Å; L372-F394 HydrophobicContact CD1-CZ 4.08Å; L372-K481 VanDerWaalsContact O-CE 3.32Å; L372-K481 WeakPolarHBondContact O-CE 3.24Å; L372-K481 PolarHBondContact O-NZ 3.35Å; L372-Y528 HydrophobicContact CD2-CE1 4.3Å; L372-W529 HydrophobicContact CD2-CZ2 4.19Å
373P94.5Very high92.7Very high0 Ų033 Ų330%019%0.185CC..  trans-58.3143.7161.1-1830.6000110D269 G375 C376 M485 W529D269-P373 WeakPolarHBondContact OD1-CA 3.32Å; P373-G375 PolarHBondContact O-N 3.5Å; P373-G375 VanDerWaalsContact O-N 3.16Å; P373-C376 WeakPolarHBondContact O-CB 3.39Å; P373-C376 PolarHBondContact O-N 3.39Å; P373-M485 HydrophobicContact CB-CE 4.29Å; P373-M485 HydrophobicContact CB-CG 4.28Å; P373-M485 HydrophobicContact CB-SD 3.84Å; P373-M485 HydrophobicContact CG-CE 4.37Å; P373-M485 HydrophobicContact CG-CG 3.79Å; P373-M485 HydrophobicContact CG-SD 3.3Å; P373-M485 WeakPolarHBondContact CG-SD 3.38Å; P373-W529 HydrophobicContact CG-CD2 3.81Å; P373-W529 HydrophobicContact CG-CE3 3.63Å; P373-W529 HydrophobicContact CG-CG 4.38Å; P373-W529 HydrophobicContact CG-CH2 4.28Å; P373-W529 HydrophobicContact CG-CZ2 4.45Å; P373-W529 HydrophobicContact CG-CZ3 3.88Å
374V91.7Very high92.7Very high33 Ų3336.7 Ų36.720%0.222%0.216CC..G310 helixtrans-61.5-31.1-174.1-59.80000112.3D269 V272 L273 R276 C376 V377D269-V374 HydrophobicContact CB-CG1 4.13Å; D269-V374 HydrophobicContact CB-CG2 3.92Å; D269-V374 WeakPolarHBondContact OD1-CG2 3.45Å; D269-V374 PolarHBondContact OD1-N 3.37Å; V272-V374 HydrophobicContact CB-CG2 3.84Å; V272-V374 HydrophobicContact CG1-CG2 3.84Å; L273-V374 HydrophobicContact CG-CG2 4.33Å; R276-V374 PolarHBondContact NH2-O 3.45Å; V374-C376 VanDerWaalsContact C-N 3.27Å; V374-C376 PolarHBondContact O-N 3.03Å; V374-V377 PolarHBondContact O-N 2.92Å
375G89.6Confident92.7Very high22 Ų2242.4 Ų42.423%0.22724%0.243CC..G310 helixtrans-68.9-18.8175.800000114.9P373P373-G375 PolarHBondContact O-N 3.5Å; P373-G375 VanDerWaalsContact O-N 3.16Å
376C93.1Very high92.7Very high3 Ų343.9 Ų43.92%0.0225%0.248CC..G310 helixtrans-86.3-11.5176.5-64.50000112.8L372 P373 V374 N393 Y528L372-C376 HydrophobicContact CB-CB 4.42Å; P373-C376 WeakPolarHBondContact O-CB 3.39Å; P373-C376 PolarHBondContact O-N 3.39Å; V374-C376 VanDerWaalsContact C-N 3.27Å; V374-C376 PolarHBondContact O-N 3.03Å; C376-N393 PolarHBondContact O-ND2 3.28Å; C376-Y528 HydrophobicContact CB-CE1 4.18Å; C376-Y528 PolarHBondContact O-OH 3.4Å
377V93.3Very high92.7Very high15 Ų1540.6 Ų40.69%0.09123%0.227CC..  trans-93.3126.7-173.2178.90000111R276 K369 L372 V374 F394R276-V377 PolarHBondContact NH2-O 3.47Å; K369-V377 HydrophobicContact CB-CG2 4.48Å; K369-V377 HydrophobicContact CD-CG1 3.94Å; K369-V377 HydrophobicContact CG-CG1 3.7Å; K369-V377 HydrophobicContact CG-CG2 4.29Å; L372-V377 HydrophobicContact CB-CG2 3.86Å; L372-V377 HydrophobicContact CD1-CG2 4.23Å; V374-V377 PolarHBondContact O-N 2.92Å; V377-F394 HydrophobicContact CG1-CD2 4.05Å; V377-F394 HydrophobicContact CG1-CE2 4.13Å; V377-F394 HydrophobicContact CG2-CE2 4.33Å
378R92.6Very high92.6Very high113 Ų11343.3 Ų43.343%0.42624%0.238SC..  trans-133.798.1170.7-65.8175.6-67.4164.58108.4A389 Y390 C392 N393 F394R378-A389 PolarHBondContact NH2-O 3.46Å; R378-Y390 PolarHBondContact NH1-O 3.31Å; R378-C392 CarbonylContact O-C 3.6Å; R378-C392 VanDerWaalsContact O-CA 3.27Å; R378-C392 WeakPolarHBondContact O-CA 3.5Å; R378-C392 VanDerWaalsContact O-CB 3.3Å; R378-C392 WeakPolarHBondContact O-CB 3.3Å; R378-N393 VanDerWaalsContact C-OD1 3.3Å; R378-N393 WeakPolarHBondContact CA-OD1 3.44Å; R378-N393 PolarHBondContact N-OD1 2.96Å; R378-N393 PolarHBondContact O-N 2.85Å; R378-N393 PolarHBondContact O-OD1 2.97Å; R378-F394 PolarHBondContact O-N 2.91Å
379S92.2Very high92.4Very high43 Ų4345.7 Ų45.730%0.30126%0.258SS..EExtended strand (participates in β ladder)trans-112.2131-172.263.30000113K369 F394K369-S379 VanDerWaalsContact CE-CB 3.42Å; K369-S379 VanDerWaalsContact CE-OG 3.3Å; K369-S379 WeakPolarHBondContact CE-OG 3.18Å; K369-S379 PolarHBondContact NZ-OG 2.96Å; S379-F394 WeakPolarHBondContact CA-O 3.26Å
380V93.1Very high92.2Very high43 Ų4350 Ų5026%0.26127%0.274SS..EExtended strand (participates in β ladder)trans-102109.5162.4174.60000106.9Y382 C392 F394 L395 G396V380-Y382 PolarHBondContact O-N 3.14Å; V380-C392 HydrophobicContact CB-CB 4.37Å; V380-C392 HydrophobicContact CG2-CB 3.79Å; V380-F394 PolarHBondContact N-O 2.86Å; V380-L395 HydrophobicContact CB-CD1 4.1Å; V380-L395 HydrophobicContact CG1-CD1 4.15Å; V380-G396 PolarHBondContact O-N 3.29Å
381P88.9Confident92Very high78 Ų7852.5 Ų52.551%0.50628%0.278SS..EExtended strand (participates in β ladder)trans-65.6-40.1-168.124.4-33.1000112.9I361I361-P381 WeakPolarHBondContact CG2-O 3.36Å
382Y92.3Very high92Very high90 Ų9052.5 Ų52.535%0.35328%0.278SS..EExtended strand (participates in β ladder)trans-158.2129.7176.6-164.8-106.7000110P358 I361 V380 G396 S398P358-Y382 HydrophobicContact CB-CD2 4.12Å; P358-Y382 HydrophobicContact CB-CE2 4.43Å; P358-Y382 HydrophobicContact CB-CG 4.23Å; I361-Y382 HydrophobicContact CD1-CD2 3.72Å; I361-Y382 HydrophobicContact CD1-CE2 3.78Å; V380-Y382 PolarHBondContact O-N 3.14Å; Y382-G396 CarbonylContact C-O 3.6Å; Y382-G396 WeakPolarHBondContact CA-O 3.44Å; Y382-S398 VanDerWaalsContact OH-CA 3.31Å; Y382-S398 WeakPolarHBondContact OH-CA 3.49Å; Y382-S398 WeakPolarHBondContact OH-CB 3.43Å
383S92.4Very high91.9Very high16 Ų1652.8 Ų52.811%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-134.3145.8-178.9-179.60000111.2Q385 G396 S398S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 WeakPolarHBondContact CB-O 3.48Å; S383-Q385 PolarHBondContact OG-N 2.83Å; S383-Q385 VanDerWaalsContact OG-N 3.12Å; S383-Q385 PolarHBondContact OG-O 3.26Å; S383-G396 PolarHBondContact N-O 3.3Å; S383-S398 PolarHBondContact O-N 3.02Å
384A90.9Very high92Very high90 Ų9052.8 Ų52.874%0.74428%0.28SS*.SBendtrans-86-3172.400000113V401A384-V401 VanDerWaalsContact O-CG2 3.3Å; A384-V401 WeakPolarHBondContact O-CG2 3.45Å
385Q92.4Very high92.2Very high119 Ų11951.2 Ų51.256%0.55627%0.27SS*.SBendtrans-135.6151.2179.164.3-177.9900110.9S383 E387 L397S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 WeakPolarHBondContact CB-O 3.48Å; S383-Q385 PolarHBondContact OG-N 2.83Å; S383-Q385 VanDerWaalsContact OG-N 3.12Å; S383-Q385 PolarHBondContact OG-O 3.26Å; Q385-E387 PolarHBondContact NE2-OE1 3.41Å; Q385-E387 PolarHBondContact O-N 3.4Å; Q385-L397 VanDerWaalsContact O-CD2 3.27Å; Q385-L397 WeakPolarHBondContact O-CD2 3.44Å
386Y93.7Very high92.5Very high34 Ų3450.2 Ų50.213%0.13326%0.26CS..  trans-64.1133.6172.8176.3-104.5000110.3Q350 I352 E388 L395 L397 P404 V407Q350-Y386 PolarHBondContact OE1-OH 2.81Å; I352-Y386 HydrophobicContact CD1-CE2 3.88Å; Y386-E388 HydrophobicContact CE1-CG 4.37Å; Y386-L395 HydrophobicContact CD2-CD2 3.78Å; Y386-L395 HydrophobicContact CE2-CD2 3.93Å; Y386-L397 HydrophobicContact CD2-CD1 4.44Å; Y386-P404 HydrophobicContact CD1-CG 3.73Å; Y386-P404 HydrophobicContact CE1-CG 4.03Å; Y386-P404 HydrophobicContact CG-CG 4.25Å; Y386-V407 HydrophobicContact CE1-CG2 3.99Å; Y386-V407 HydrophobicContact CE2-CG1 4.2Å; Y386-V407 HydrophobicContact CE2-CG2 4.38Å; Y386-V407 VanDerWaalsContact OH-CG2 3.3Å; Y386-V407 WeakPolarHBondContact OH-CG2 3.39Å
387E92.9Very high92.5Very high23 Ų2350 Ų5011%0.10726%0.259CS..  trans-115.2140.2174.8-65.4-66.2170.600109.7Q350 Q385 K391 L395Q350-E387 PolarHBondContact NE2-O 3.13Å; Q385-E387 PolarHBondContact NE2-OE1 3.41Å; Q385-E387 PolarHBondContact O-N 3.4Å; E387-K391 WeakPolarHBondContact OE2-CD 3.49Å; E387-K391 WeakPolarHBondContact OE2-CE 3.34Å; E387-K391 IonicContact OE2-NZ 3.49Å; E387-K391 PolarHBondContact OE2-NZ 3.33Å; E387-L395 HydrophobicContact CB-CD1 3.91Å; E387-L395 HydrophobicContact CB-CD2 4.28Å; E387-L395 HydrophobicContact CG-CD1 4.14Å; E387-L395 WeakPolarHBondContact O-CD2 3.32Å
388E92.2Very high92.4Very high71 Ų7150.6 Ų50.633%0.33226%0.263SS..  trans-75.4157.4-174.9-66.6-70.8171.900113Y386 Y390 K391 C392Y386-E388 HydrophobicContact CE1-CG 4.37Å; E388-Y390 HydrophobicContact CB-CD1 3.48Å; E388-Y390 VanDerWaalsContact CB-CD1 3.48Å; E388-Y390 HydrophobicContact CB-CE1 3.19Å; E388-Y390 HydrophobicContact CB-CG 4.43Å; E388-Y390 HydrophobicContact CG-CD1 4.36Å; E388-Y390 HydrophobicContact CG-CE1 3.67Å; E388-Y390 PolarHBondContact O-N 3.16Å; E388-Y390 VanDerWaalsContact O-N 3.1Å; E388-K391 PolarHBondContact O-N 2.97Å; E388-C392 PolarHBondContact O-N 2.99Å
389A89.8Confident92.2Very high50 Ų5047.9 Ų47.941%0.41326%0.26SS..THydrogen-bonded Turntrans-61.9-21.5-176.500000114.7Q350 R378 K391Q350-A389 HydrophobicContact CB-CB 4.33Å; R378-A389 PolarHBondContact NH2-O 3.46Å; A389-K391 VanDerWaalsContact C-N 3.32Å
390Y88.8Confident92Very high159 Ų15952.8 Ų52.862%0.62428%0.283SS*.THydrogen-bonded Turntrans-73.2-25174.967.6-96.3000112.6R378 E388R378-Y390 PolarHBondContact NH1-O 3.31Å; E388-Y390 HydrophobicContact CB-CD1 3.48Å; E388-Y390 VanDerWaalsContact CB-CD1 3.48Å; E388-Y390 HydrophobicContact CB-CE1 3.19Å; E388-Y390 HydrophobicContact CB-CG 4.43Å; E388-Y390 HydrophobicContact CG-CD1 4.36Å; E388-Y390 HydrophobicContact CG-CE1 3.67Å; E388-Y390 PolarHBondContact O-N 3.16Å; E388-Y390 VanDerWaalsContact O-N 3.1Å
391K90Very high91.9Very high100 Ų10051.3 Ų51.344%0.43527%0.274SS..THydrogen-bonded Turntrans-84.7-45.9177.2-64.3-176.7178.9179.40111.6E387 E388 A389E387-K391 WeakPolarHBondContact OE2-CD 3.49Å; E387-K391 WeakPolarHBondContact OE2-CE 3.34Å; E387-K391 IonicContact OE2-NZ 3.49Å; E387-K391 PolarHBondContact OE2-NZ 3.33Å; E388-K391 PolarHBondContact O-N 2.97Å; A389-K391 VanDerWaalsContact C-N 3.32Å
392C92.2Very high91.9Very high1 Ų152.8 Ų52.81%0.00728%0.283CS..  trans-145.3144.1-174.963.10000112.6R378 V380 E388R378-C392 CarbonylContact O-C 3.6Å; R378-C392 VanDerWaalsContact O-CA 3.27Å; R378-C392 WeakPolarHBondContact O-CA 3.5Å; R378-C392 VanDerWaalsContact O-CB 3.3Å; R378-C392 WeakPolarHBondContact O-CB 3.3Å; V380-C392 HydrophobicContact CB-CB 4.37Å; V380-C392 HydrophobicContact CG2-CB 3.79Å; E388-C392 PolarHBondContact O-N 2.99Å
393N94.1Very high91.7Very high5 Ų549.8 Ų49.83%0.02727%0.273CS..SBendtrans-95.8-22.8167.262.3-25.6000112.3V351 C376 R378 Y528V351-N393 PolarHBondContact N-O 2.89Å; C376-N393 PolarHBondContact O-ND2 3.28Å; R378-N393 VanDerWaalsContact C-OD1 3.3Å; R378-N393 WeakPolarHBondContact CA-OD1 3.44Å; R378-N393 PolarHBondContact N-OD1 2.96Å; R378-N393 PolarHBondContact O-N 2.85Å; R378-N393 PolarHBondContact O-OD1 2.97Å; N393-Y528 PolarHBondContact ND2-OH 3.4Å; N393-Y528 VanDerWaalsContact ND2-OH 3.17Å
394F96Very high91.7Very high1 Ų150.9 Ų50.90%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-111.2122.6169.1-66.6-85.3000109.6V345 V351 F365 L368 K369 L372 V377 R378 S379 V380V345-F394 HydrophobicContact CG1-CZ 3.99Å; V345-F394 HydrophobicContact CG2-CE1 4.19Å; V345-F394 HydrophobicContact CG2-CZ 4.42Å; V351-F394 HydrophobicContact CB-CD1 4.02Å; V351-F394 HydrophobicContact CB-CE1 4.29Å; V351-F394 HydrophobicContact CG1-CD1 4.19Å; V351-F394 HydrophobicContact CG1-CE1 4.39Å; V351-F394 HydrophobicContact CG2-CE1 4.37Å; F365-F394 HydrophobicContact CD1-CB 4.26Å; F365-F394 AromaticContact CD1-CD1 3.71Å; F365-F394 HydrophobicContact CD1-CD1 3.71Å; F365-F394 HydrophobicContact CD1-CG 4.36Å; F365-F394 HydrophobicContact CD2-CB 4.46Å; F365-F394 HydrophobicContact CE1-CB 4.15Å; F365-F394 AromaticContact CE1-CD1 3.93Å; F365-F394 HydrophobicContact CE1-CD1 3.93Å; F365-F394 HydrophobicContact CE2-CB 4.35Å; F365-F394 HydrophobicContact CG-CB 4.42Å; F365-F394 HydrophobicContact CG-CD1 4.41Å; F365-F394 HydrophobicContact CZ-CB 4.21Å; L368-F394 HydrophobicContact CB-CE1 3.8Å; L368-F394 HydrophobicContact CB-CZ 4.29Å; L368-F394 HydrophobicContact CD1-CE1 4.32Å; K369-F394 HydrophobicContact CG-CE2 4.23Å; K369-F394 HydrophobicContact CG-CZ 4.47Å; L372-F394 HydrophobicContact CD1-CE2 3.93Å; L372-F394 HydrophobicContact CD1-CZ 4.08Å; V377-F394 HydrophobicContact CG1-CD2 4.05Å; V377-F394 HydrophobicContact CG1-CE2 4.13Å; V377-F394 HydrophobicContact CG2-CE2 4.33Å; R378-F394 PolarHBondContact O-N 2.91Å; S379-F394 WeakPolarHBondContact CA-O 3.26Å; V380-F394 PolarHBondContact N-O 2.86Å
395L96.1Very high91.4Very high0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans-130.5113.3-177178.659.5000110.6V351 I352 W353 V380 Y386 E387 L397V351-L395 PolarHBondContact O-N 3.49Å; I352-L395 WeakPolarHBondContact CA-O 3.44Å; I352-L395 HydrophobicContact CG1-CD2 4.44Å; W353-L395 PolarHBondContact N-O 3.31Å; V380-L395 HydrophobicContact CB-CD1 4.1Å; V380-L395 HydrophobicContact CG1-CD1 4.15Å; Y386-L395 HydrophobicContact CD2-CD2 3.78Å; Y386-L395 HydrophobicContact CE2-CD2 3.93Å; E387-L395 HydrophobicContact CB-CD1 3.91Å; E387-L395 HydrophobicContact CB-CD2 4.28Å; E387-L395 HydrophobicContact CG-CD1 4.14Å; E387-L395 WeakPolarHBondContact O-CD2 3.32Å; L395-L397 HydrophobicContact CD1-CD2 3.96Å; L395-L397 HydrophobicContact CD1-CG 4.43Å; L395-L397 HydrophobicContact CD2-CD1 4.09Å; L395-L397 HydrophobicContact CD2-CD2 4.03Å; L395-L397 HydrophobicContact CD2-CG 4.07Å; L395-L397 HydrophobicContact CG-CD1 4.42Å; L395-L397 HydrophobicContact CG-CD2 3.93Å; L395-L397 HydrophobicContact CG-CG 3.9Å
396G95.1Very high91.2Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-88.5132.9168.400000110.8W353 V380 Y382 S383W353-G396 WeakPolarHBondContact O-CA 3.44Å; V380-G396 PolarHBondContact O-N 3.29Å; Y382-G396 CarbonylContact C-O 3.6Å; Y382-G396 WeakPolarHBondContact CA-O 3.44Å; S383-G396 PolarHBondContact N-O 3.3Å
397L93.9Very high90.8Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-130.5148.7-178.1-69.7-179000111.9I352 W353 R354 S355 Q385 Y386 L395 V401 I403I352-L397 HydrophobicContact CG2-CD1 3.6Å; I352-L397 HydrophobicContact CG2-CG 4.19Å; W353-L397 PolarHBondContact O-N 2.95Å; R354-L397 WeakPolarHBondContact CA-O 3.45Å; R354-L397 HydrophobicContact CG-CB 3.92Å; R354-L397 HydrophobicContact CG-CD1 4.42Å; S355-L397 PolarHBondContact N-O 3.43Å; Q385-L397 VanDerWaalsContact O-CD2 3.27Å; Q385-L397 WeakPolarHBondContact O-CD2 3.44Å; Y386-L397 HydrophobicContact CD2-CD1 4.44Å; L395-L397 HydrophobicContact CD1-CD2 3.96Å; L395-L397 HydrophobicContact CD1-CG 4.43Å; L395-L397 HydrophobicContact CD2-CD1 4.09Å; L395-L397 HydrophobicContact CD2-CD2 4.03Å; L395-L397 HydrophobicContact CD2-CG 4.07Å; L395-L397 HydrophobicContact CG-CD1 4.42Å; L395-L397 HydrophobicContact CG-CD2 3.93Å; L395-L397 HydrophobicContact CG-CG 3.9Å; L397-V401 HydrophobicContact CD1-CG1 4.31Å; L397-V401 HydrophobicContact CD2-CG1 4.29Å; L397-I403 HydrophobicContact CD1-CG1 4.4Å
398S90.8Very high90.3Very high27 Ų2751.3 Ų51.319%0.18929%0.289CS..  trans-65.3147.8164.6179.70000111Y382 S383 D400 V401Y382-S398 VanDerWaalsContact OH-CA 3.31Å; Y382-S398 WeakPolarHBondContact OH-CA 3.49Å; Y382-S398 WeakPolarHBondContact OH-CB 3.43Å; S383-S398 PolarHBondContact O-N 3.02Å; S398-D400 PolarHBondContact O-N 2.88Å; S398-D400 VanDerWaalsContact O-N 3.17Å; S398-V401 WeakPolarHBondContact O-CG2 3.3Å; S398-V401 PolarHBondContact O-N 2.67Å
399P89.1Confident89.9Confident55 Ų5552 Ų5236%0.35730%0.302SS..THydrogen-bonded Turntrans-57.5-30.4-178.9-25.435.6000114.3A356 V401A356-P399 HydrophobicContact CB-CG 3.95Å; P399-V401 VanDerWaalsContact C-N 3.26Å; P399-V401 PolarHBondContact O-N 2.9Å
400D87.8Confident89.8Confident147 Ų14751.1 Ų51.179%0.78629%0.293SS*.THydrogen-bonded Turntrans-79.1-6-174.6-57.9-44.3000113.8S398 P402S398-D400 PolarHBondContact O-N 2.88Å; S398-D400 VanDerWaalsContact O-N 3.17Å; D400-P402 WeakPolarHBondContact O-CD 3.28Å
401V90.3Very high89.6Confident12 Ų1247.2 Ų47.27%0.07328%0.28CS..PPolyproline II helixtrans-77.5121.8-174.8-176.80000110.4A384 L397 S398 P399 I403A384-V401 VanDerWaalsContact O-CG2 3.3Å; A384-V401 WeakPolarHBondContact O-CG2 3.45Å; L397-V401 HydrophobicContact CD1-CG1 4.31Å; L397-V401 HydrophobicContact CD2-CG1 4.29Å; S398-V401 WeakPolarHBondContact O-CG2 3.3Å; S398-V401 PolarHBondContact O-N 2.67Å; P399-V401 VanDerWaalsContact C-N 3.26Å; P399-V401 PolarHBondContact O-N 2.9Å; V401-I403 PolarHBondContact O-N 3.25Å
402P89Confident89.5Confident108 Ų10849 Ų4970%0.70129%0.288SS*.PPolyproline II helixtrans-73.3128.917529.7-33000110.3D400D400-P402 WeakPolarHBondContact O-CD 3.28Å
403I89.1Confident89.4Confident27 Ų2749.3 Ų49.314%0.13829%0.291CS..PPolyproline II helixtrans-88.7132.4174.6-60.6170.7000108.4I352 L397 V401 A405 V407 L415I352-I403 HydrophobicContact CG2-CD1 4.36Å; L397-I403 HydrophobicContact CD1-CG1 4.4Å; V401-I403 PolarHBondContact O-N 3.25Å; I403-A405 PolarHBondContact O-N 3.36Å; I403-V407 HydrophobicContact CG2-CB 3.95Å; I403-V407 HydrophobicContact CG2-CG1 4.06Å; I403-L415 HydrophobicContact CD1-CD1 3.4Å; I403-L415 VanDerWaalsContact CD1-CD1 3.4Å; I403-L415 HydrophobicContact CD1-CD2 3.68Å; I403-L415 HydrophobicContact CD1-CG 4.16Å
404P91.4Very high89.3Confident40 Ų4049.1 Ų49.126%0.2629%0.29SS..PPolyproline II helixtrans-58.8137.4176.7-23.533.3000112.2Y386 H406 V407 S408Y386-P404 HydrophobicContact CD1-CG 3.73Å; Y386-P404 HydrophobicContact CE1-CG 4.03Å; Y386-P404 HydrophobicContact CG-CG 4.25Å; P404-H406 WeakPolarHBondContact CB-CE1 3.31Å; P404-H406 WeakPolarHBondContact CB-ND1 3.3Å; P404-H406 PolarHBondContact O-N 3.11Å; P404-H406 VanDerWaalsContact O-N 3.13Å; P404-V407 HydrophobicContact CB-CG2 4.06Å; P404-V407 HydrophobicContact CG-CG2 4.29Å; P404-V407 WeakPolarHBondContact O-CB 3.43Å; P404-V407 PolarHBondContact O-N 2.9Å; P404-S408 PolarHBondContact O-N 2.78Å
405A85.6Confident89.1Confident81 Ų8150 Ų5067%0.66929%0.294SS*.Hα-helixtrans-57-34.8-175.300000113.7I403 V407 S408 S409I403-A405 PolarHBondContact O-N 3.36Å; A405-V407 PolarHBondContact O-N 3.19Å; A405-S408 PolarHBondContact O-N 3.35Å; A405-S409 PolarHBondContact O-N 2.82Å; A405-S409 PolarHBondContact O-OG 3.14Å; A405-S409 VanDerWaalsContact O-OG 3.09Å
406H86.4Confident89Confident118 Ų11850 Ų5055%0.54629%0.294SS..Hα-helixtrans-67-22.9178.269.6-91.9000113.3P404 S409 S410P404-H406 WeakPolarHBondContact CB-CE1 3.31Å; P404-H406 WeakPolarHBondContact CB-ND1 3.3Å; P404-H406 PolarHBondContact O-N 3.11Å; P404-H406 VanDerWaalsContact O-N 3.13Å; H406-S409 PolarHBondContact O-OG 3.5Å; H406-S410 WeakPolarHBondContact O-CB 3.47Å
407V86.4Confident88.7Confident8 Ų851.5 Ų51.55%0.04830%0.302CS..Hα-helixtrans-82.1-46.9175.2-178.20000109.3I352 Y386 I403 P404 A405 S409 S410 S413I352-V407 HydrophobicContact CD1-CG1 3.87Å; Y386-V407 HydrophobicContact CE1-CG2 3.99Å; Y386-V407 HydrophobicContact CE2-CG1 4.2Å; Y386-V407 HydrophobicContact CE2-CG2 4.38Å; Y386-V407 VanDerWaalsContact OH-CG2 3.3Å; Y386-V407 WeakPolarHBondContact OH-CG2 3.39Å; I403-V407 HydrophobicContact CG2-CB 3.95Å; I403-V407 HydrophobicContact CG2-CG1 4.06Å; P404-V407 HydrophobicContact CB-CG2 4.06Å; P404-V407 HydrophobicContact CG-CG2 4.29Å; P404-V407 WeakPolarHBondContact O-CB 3.43Å; P404-V407 PolarHBondContact O-N 2.9Å; A405-V407 PolarHBondContact O-N 3.19Å; V407-S409 PolarHBondContact O-N 3.48Å; V407-S410 WeakPolarHBondContact O-CB 3.36Å; V407-S410 PolarHBondContact O-N 2.91Å; V407-S413 PolarHBondContact O-OG 3.17Å
408S82.6Confident88.6Confident67 Ų6752.1 Ų52.147%0.46931%0.306SS..Hα-helixtrans-60.4-30.3178-56.40000113.3P404 A405P404-S408 PolarHBondContact O-N 2.78Å; A405-S408 PolarHBondContact O-N 3.35Å
409S83.6Confident88.3Confident86 Ų8654.2 Ų54.260%0.60132%0.318SS*.THydrogen-bonded Turntrans-90.41.5174.665.80000114.2A405 H406 V407 A444A405-S409 PolarHBondContact O-N 2.82Å; A405-S409 PolarHBondContact O-OG 3.14Å; A405-S409 VanDerWaalsContact O-OG 3.09Å; H406-S409 PolarHBondContact O-OG 3.5Å; V407-S409 PolarHBondContact O-N 3.48Å; S409-A444 WeakPolarHBondContact O-CB 3.44Å
410S86.8Confident88Confident31 Ų3157.6 Ų57.622%0.21733%0.333CS..  trans-84.9137.2-175.2-177.90000112.1H406 V407 F412H406-S410 WeakPolarHBondContact O-CB 3.47Å; V407-S410 WeakPolarHBondContact O-CB 3.36Å; V407-S410 PolarHBondContact O-N 2.91Å; S410-F412 PolarHBondContact O-N 3.06Å; S410-F412 PolarHBondContact OG-N 2.91Å; S410-F412 VanDerWaalsContact OG-N 3.13Å
411E86.1Confident87.6Confident77 Ų7754.4 Ų54.436%0.3631%0.311SS..THydrogen-bonded Turntrans-70.5-12.2170.8-57.4-173.9148.200112.7H344H344-E411 PolarHBondContact CE1-O 3.2Å; H344-E411 VanDerWaalsContact CE1-O 3.26Å
412F86.8Confident85.9Confident137 Ų13758.8 Ų58.860%0.60135%0.349SS*.THydrogen-bonded Turntrans-99.912.9-177.2-52-71.4000113.4N349 Q350 S410N349-F412 VanDerWaalsContact CB-O 3.26Å; N349-F412 WeakPolarHBondContact CB-O 3.34Å; Q350-F412 PolarHBondContact N-O 3.47Å; S410-F412 PolarHBondContact O-N 3.06Å; S410-F412 PolarHBondContact OG-N 2.91Å; S410-F412 VanDerWaalsContact OG-N 3.13Å
413S90.3Very high83.9Confident9 Ų958.6 Ų58.66%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-130.5153173.683.80000111.7H344 Q350 V407H344-S413 PolarHBondContact CE1-O 2.69Å; Q350-S413 CarbonylContact O-C 3.52Å; Q350-S413 WeakPolarHBondContact O-CA 3.27Å; V407-S413 PolarHBondContact O-OG 3.17Å
414V92.6Very high82Confident0 Ų067 Ų670%039%0.388CS..EExtended strand (participates in β ladder)trans-132.2131.6169.461.90000108.8L341 H344 Q350 V351 I352 I441L341-V414 HydrophobicContact CD1-CG1 3.94Å; L341-V414 HydrophobicContact CD1-CG2 4.4Å; H344-V414 HydrophobicContact CB-CB 4.12Å; H344-V414 HydrophobicContact CB-CG1 3.65Å; Q350-V414 PolarHBondContact O-N 3.03Å; V351-V414 HydrophobicContact CB-CG1 4.18Å; V351-V414 HydrophobicContact CG1-CG1 4.2Å; V351-V414 HydrophobicContact CG2-CG1 3.85Å; I352-V414 PolarHBondContact N-O 2.93Å; V414-I441 HydrophobicContact CG2-CG2 3.63Å
415L92.2Very high79.8Confident19 Ų1968.2 Ų68.210%0.09941%0.408CS..EExtended strand (participates in β ladder)trans-108.7126179.4179.961.4000109.7I352 R354 I403 I441 S442I352-L415 HydrophobicContact CB-CD1 4.02Å; I352-L415 HydrophobicContact CG2-CD1 3.78Å; R354-L415 HydrophobicContact CG-CD1 4.02Å; I403-L415 HydrophobicContact CD1-CD1 3.4Å; I403-L415 VanDerWaalsContact CD1-CD1 3.4Å; I403-L415 HydrophobicContact CD1-CD2 3.68Å; I403-L415 HydrophobicContact CD1-CG 4.16Å; L415-I441 CarbonylContact O-C 3.58Å; L415-I441 WeakPolarHBondContact O-CA 3.49Å; L415-S442 PolarHBondContact N-O 2.97Å; L415-S442 PolarHBondContact O-N 2.68Å
416V92.6Very high77.9Confident0 Ų070.9 Ų70.90%042%0.418CS..EExtended strand (participates in β ladder)trans-112.1106.1171.7-176.10000108L341 I352 W353 R354 V418 F439 I441L341-V416 HydrophobicContact CD1-CG2 4.02Å; L341-V416 HydrophobicContact CD2-CG2 4.49Å; I352-V416 PolarHBondContact O-N 2.64Å; W353-V416 HydrophobicContact CD2-CB 4.13Å; W353-V416 HydrophobicContact CD2-CG1 4.17Å; W353-V416 HydrophobicContact CE3-CG1 4.4Å; W353-V416 HydrophobicContact CG-CB 4.15Å; W353-V416 HydrophobicContact CH2-CG1 4.3Å; W353-V416 HydrophobicContact CZ2-CB 4.49Å; W353-V416 HydrophobicContact CZ2-CG1 4.08Å; W353-V416 HydrophobicContact CZ2-CG2 4.4Å; W353-V416 HydrophobicContact CZ3-CG1 4.45Å; R354-V416 PolarHBondContact N-O 3.04Å; V416-V418 HydrophobicContact CG1-CG2 4.42Å; V416-F439 HydrophobicContact CG1-CD1 4.3Å; V416-I441 HydrophobicContact CG2-CD1 4.35Å; V416-I441 HydrophobicContact CG2-CG1 4.28Å
417D90.4Very high75.7Confident32 Ų3269.3 Ų69.317%0.17143%0.426CS..EExtended strand (participates in β ladder)trans-93.4123.8176-74-23.7000110.3R354 F439 T440R354-D417 WeakPolarHBondContact CB-OD1 3.5Å; R354-D417 IonicContact CZ-OD1 2.78Å; R354-D417 IonicContact CZ-OD2 3.51Å; R354-D417 IonicContact NE-OD1 3.82Å; R354-D417 PolarHBondContact NE-OD1 2.89Å; R354-D417 IonicContact NE-OD2 3.53Å; R354-D417 IonicContact NH2-OD1 3.22Å; R354-D417 PolarHBondContact NH2-OD1 3.19Å; R354-D417 IonicContact NH2-OD2 3.45Å; R354-D417 PolarHBondContact NH2-OD2 2.94Å; D417-F439 WeakPolarHBondContact O-CA 3.48Å; D417-T440 PolarHBondContact N-O 2.94Å; D417-T440 PolarHBondContact O-N 2.92Å
418V90Very high73.7Confident13 Ų1374.2 Ų74.28%0.07947%0.467CS..EExtended strand (participates in β ladder)trans-109.5116.8177.9-170.10000108.9W353 R354 L360 V416 Y437 F439W353-V418 HydrophobicContact CE3-CG2 4.43Å; W353-V418 HydrophobicContact CZ3-CG2 4.47Å; R354-V418 WeakPolarHBondContact O-CB 3.12Å; R354-V418 PolarHBondContact O-N 3.16Å; L360-V418 HydrophobicContact CD2-CG1 3.85Å; V416-V418 HydrophobicContact CG1-CG2 4.42Å; V418-Y437 HydrophobicContact CG1-CD1 3.51Å; V418-Y437 HydrophobicContact CG1-CE1 4.31Å; V418-Y437 HydrophobicContact CG1-CG 3.95Å; V418-F439 HydrophobicContact CB-CE1 4.44Å; V418-F439 HydrophobicContact CG1-CD1 4.35Å; V418-F439 HydrophobicContact CG1-CE1 3.93Å; V418-F439 HydrophobicContact CG1-CZ 4.3Å; V418-F439 HydrophobicContact CG2-CD1 3.73Å; V418-F439 HydrophobicContact CG2-CE1 3.67Å
419T86.2Confident71.7Confident72 Ų7273.5 Ų73.544%0.44247%0.471SS..EExtended strand (participates in β ladder)trans-116.4144.2175.553.10000110Y437 Q438T419-Y437 WeakPolarHBondContact O-CA 3.43Å; T419-Q438 PolarHBondContact N-O 3.14Å; T419-Q438 PolarHBondContact O-N 3.16Å; T419-Q438 PolarHBondContact OG1-O 3.44Å
420L82.8Confident69.9Low126 Ų12678.5 Ų78.566%0.6648%0.484SS*.EExtended strand (participates in β ladder)trans-79.4126.2178.5-162.1121.5000109.2A422 Y437L420-A422 PolarHBondContact O-N 2.87Å; L420-Y437 HydrophobicContact CD1-CE1 3.98Å
421K78.3Confident68.5Low79 Ų7980.9 Ų80.934%0.34349%0.494SS..  trans-73.8124.8173.9-70.8175179.9163.20108.5C423 S434 L436 Y437 Q438K421-C423 PolarHBondContact O-N 3.12Å; K421-S434 PolarHBondContact NZ-O 3.33Å; K421-L436 PolarHBondContact N-O 3.05Å; K421-Y437 WeakPolarHBondContact CE-O 3.32Å; K421-Y437 PolarHBondContact NZ-O 2.91Å; K421-Y437 VanDerWaalsContact NZ-O 3.12Å; K421-Q438 HydrophobicContact CD-CB 4.42Å; K421-Q438 HydrophobicContact CG-CB 3.94Å
422A53.9Low67.5Low104 Ų10483.3 Ų83.386%0.8651%0.506SS*.  trans-73.892.3170.600000109.3L420L420-A422 PolarHBondContact O-N 2.87Å
423C48.9Very low67Low105 Ų10577 Ų7771%0.70948%0.479SS*.  trans-125.1127.8174.2-740000112.9K421K421-C423 PolarHBondContact O-N 3.12Å
424Q47.6Very low66.1Low203 Ų20378.5 Ų78.595%0.94949%0.489SS*.  trans-75.3130.1168.7-63.6171.5-1200109.6
425G45.7Very low65.2Low66 Ų6681 Ų8168%0.6851%0.51SS*.SBendtrans111.8146.7163.300000116.2A427G425-A427 PolarHBondContact O-N 2.79Å
426P45.2Very low64.6Low136 Ų13684 Ų8488%0.88353%0.526SS*.  trans-84.6108.2-174.333.7-29.2000110.3A428P426-A428 PolarHBondContact O-N 3.31Å
427A40Very low64.2Low85 Ų8585.2 Ų85.270%0.70253%0.53SS*.  trans-9198.9167.800000108.9G425 G429G425-A427 PolarHBondContact O-N 2.79Å; A427-G429 PolarHBondContact O-N 3.01Å
428A44.7Very low64Low112 Ų11288.5 Ų88.593%0.92655%0.545SS*.  trans-77.9105.2164.800000108.6P426P426-A428 PolarHBondContact O-N 3.31Å
429G41Very low63.9Low52 Ų5289.3 Ų89.354%0.53655%0.547SS..SBendtrans-174.7151176.300000111.1A427 D431A427-G429 PolarHBondContact O-N 3.01Å; G429-D431 PolarHBondContact O-N 3.44Å
430E46.9Very low64Low191 Ų19188.9 Ų88.989%0.89354%0.544SS*.SBendtrans-60.4-6.5-161.1-66.5-175.6140.800117.9
431D55.8Low64.2Low80 Ų8083.9 Ų83.943%0.42852%0.518SS..  trans-120.570.1-177.4-74.6-24.9000112.9H328 G429 I433H328-D431 IonicContact NE2-OD1 3.36Å; G429-D431 PolarHBondContact O-N 3.44Å; D431-I433 PolarHBondContact O-N 3.43Å
432E65.8Low64.6Low129 Ų12982.8 Ų82.860%0.60352%0.521SS*.Hα-helixtrans-59.2-31178.5-66.8178.3168.500113.2L436E432-L436 HydrophobicContact CB-CD1 4.4Å; E432-L436 WeakPolarHBondContact O-CB 3.33Å; E432-L436 WeakPolarHBondContact O-CD1 3.42Å; E432-L436 WeakPolarHBondContact O-CG 3.47Å; E432-L436 PolarHBondContact O-N 2.94Å; E432-L436 VanDerWaalsContact O-N 3.14Å
433I75.2Confident66Low5 Ų579.4 Ų79.43%0.02649%0.49CS..Hα-helixtrans-69.1-50.9-175.3-68.9163.3000112.2P321 F323 V332 L360 D431 A435 L436 Y437 F439P321-I433 HydrophobicContact CB-CD1 4.34Å; P321-I433 HydrophobicContact CB-CG1 3.59Å; F323-I433 HydrophobicContact CD1-CD1 4.17Å; F323-I433 HydrophobicContact CE1-CD1 4.29Å; F323-I433 HydrophobicContact CE1-CG2 4.16Å; F323-I433 HydrophobicContact CG-CD1 4.46Å; F323-I433 HydrophobicContact CZ-CG2 4.15Å; V332-I433 HydrophobicContact CG1-CG2 3.92Å; V332-I433 HydrophobicContact CG2-CG2 4.3Å; L360-I433 HydrophobicContact CD1-CD1 4.34Å; L360-I433 HydrophobicContact CD1-CG1 4.43Å; L360-I433 HydrophobicContact CD1-CG2 4.48Å; D431-I433 PolarHBondContact O-N 3.43Å; I433-A435 PolarHBondContact O-N 3.13Å; I433-L436 PolarHBondContact O-N 3.28Å; I433-Y437 HydrophobicContact CG2-CD2 4.35Å; I433-Y437 PolarHBondContact O-N 3.12Å; I433-F439 HydrophobicContact CG2-CE2 3.75Å; I433-F439 HydrophobicContact CG2-CZ 3.63Å
434S71.6Confident67.3Low40 Ų4076.1 Ų76.128%0.2847%0.471SS..Hα-helixtrans-65.3-28.1-177.3-61.80000112.4V332 K421V332-S434 WeakPolarHBondContact CG2-OG 3.29Å; K421-S434 PolarHBondContact NZ-O 3.33Å
435A74.1Confident68.6Low53 Ų5367.2 Ų67.244%0.43843%0.43SS..Hα-helixtrans-76-40.317700000112.4I433I433-A435 PolarHBondContact O-N 3.13Å
436L79.1Confident69.2Low82 Ų8269.9 Ų69.943%0.42943%0.433SS..Hα-helixtrans-87.9-28.8-174.2-67.4170.6000114K421 E432 I433K421-L436 PolarHBondContact N-O 3.05Å; E432-L436 HydrophobicContact CB-CD1 4.4Å; E432-L436 WeakPolarHBondContact O-CB 3.33Å; E432-L436 WeakPolarHBondContact O-CD1 3.42Å; E432-L436 WeakPolarHBondContact O-CG 3.47Å; E432-L436 PolarHBondContact O-N 2.94Å; E432-L436 VanDerWaalsContact O-N 3.14Å; I433-L436 PolarHBondContact O-N 3.28Å
437Y84.9Confident70.1Confident24 Ų2466.6 Ų66.69%0.09441%0.406CS..EExtended strand (participates in β ladder)trans-120149-172.6-60.6-82.4000112.9P321 D357 L360 V418 T419 L420 K421 I433P321-Y437 HydrophobicContact CG-CE2 3.69Å; D357-Y437 PolarHBondContact OD2-OH 3.43Å; L360-Y437 HydrophobicContact CD2-CD1 4.34Å; L360-Y437 HydrophobicContact CD2-CD2 4.32Å; L360-Y437 HydrophobicContact CD2-CE1 4.3Å; L360-Y437 HydrophobicContact CD2-CE2 4.32Å; L360-Y437 HydrophobicContact CD2-CG 4.33Å; V418-Y437 HydrophobicContact CG1-CD1 3.51Å; V418-Y437 HydrophobicContact CG1-CE1 4.31Å; V418-Y437 HydrophobicContact CG1-CG 3.95Å; T419-Y437 WeakPolarHBondContact O-CA 3.43Å; L420-Y437 HydrophobicContact CD1-CE1 3.98Å; K421-Y437 WeakPolarHBondContact CE-O 3.32Å; K421-Y437 PolarHBondContact NZ-O 2.91Å; K421-Y437 VanDerWaalsContact NZ-O 3.12Å; I433-Y437 HydrophobicContact CG2-CD2 4.35Å; I433-Y437 PolarHBondContact O-N 3.12Å
438Q86.8Confident71Confident102 Ų10267.1 Ų67.148%0.47740%0.402SS..EExtended strand (participates in β ladder)trans-111.2123.2166.5-179.1170.2-400108.7T419 K421T419-Q438 PolarHBondContact N-O 3.14Å; T419-Q438 PolarHBondContact O-N 3.16Å; T419-Q438 PolarHBondContact OG1-O 3.44Å; K421-Q438 HydrophobicContact CD-CB 4.42Å; K421-Q438 HydrophobicContact CG-CB 3.94Å
439F88.3Confident71.8Confident29 Ų2963.5 Ų63.513%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-99.6131.3177-61-90.2000108.9F323 V332 L333 W353 L360 V416 D417 V418 I433F323-F439 AromaticContact CZ-CE1 3.98Å; F323-F439 HydrophobicContact CZ-CE1 3.98Å; F323-F439 AromaticContact CZ-CZ 3.85Å; F323-F439 HydrophobicContact CZ-CZ 3.85Å; V332-F439 HydrophobicContact CG1-CD2 3.61Å; V332-F439 HydrophobicContact CG1-CE2 3.28Å; V332-F439 HydrophobicContact CG1-CZ 3.95Å; L333-F439 HydrophobicContact CD2-CB 3.59Å; L333-F439 HydrophobicContact CD2-CD1 3.83Å; L333-F439 HydrophobicContact CD2-CD2 4.35Å; L333-F439 HydrophobicContact CD2-CG 3.65Å; W353-F439 HydrophobicContact CZ3-CE1 4.3Å; L360-F439 HydrophobicContact CD2-CE1 4.37Å; L360-F439 HydrophobicContact CD2-CZ 4.32Å; V416-F439 HydrophobicContact CG1-CD1 4.3Å; D417-F439 WeakPolarHBondContact O-CA 3.48Å; V418-F439 HydrophobicContact CB-CE1 4.44Å; V418-F439 HydrophobicContact CG1-CD1 4.35Å; V418-F439 HydrophobicContact CG1-CE1 3.93Å; V418-F439 HydrophobicContact CG1-CZ 4.3Å; V418-F439 HydrophobicContact CG2-CD1 3.73Å; V418-F439 HydrophobicContact CG2-CE1 3.67Å; I433-F439 HydrophobicContact CG2-CE2 3.75Å; I433-F439 HydrophobicContact CG2-CZ 3.63Å
440T87.4Confident72.6Confident63 Ų6367.2 Ų67.239%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-126.2117.8172.1-59.10000108.4D417D417-T440 PolarHBondContact N-O 2.94Å; D417-T440 PolarHBondContact O-N 2.92Å
441I88.1Confident73.4Confident21 Ų2166.9 Ų66.911%0.10837%0.367CS..EExtended strand (participates in β ladder)trans-96.7123.4176.9-53.3-163.6000108.9L333 D337 L341 V414 L415 V416L333-I441 HydrophobicContact CD1-CD1 4.19Å; L333-I441 HydrophobicContact CD2-CD1 4.36Å; D337-I441 HydrophobicContact CB-CD1 3.66Å; D337-I441 HydrophobicContact CB-CG1 4.2Å; L341-I441 HydrophobicContact CB-CD1 4.25Å; V414-I441 HydrophobicContact CG2-CG2 3.63Å; L415-I441 CarbonylContact O-C 3.58Å; L415-I441 WeakPolarHBondContact O-CA 3.49Å; V416-I441 HydrophobicContact CG2-CD1 4.35Å; V416-I441 HydrophobicContact CG2-CG1 4.28Å
442S85.9Confident74.1Confident57 Ų5763.1 Ų63.140%0.39935%0.346SS..EExtended strand (participates in β ladder)trans-118.5125.9175.7-59.70000109.6L415L415-S442 PolarHBondContact N-O 2.97Å; L415-S442 PolarHBondContact O-N 2.68Å
443S83.7Confident75Confident32 Ų3257 Ų5722%0.22432%0.318CS..  trans-149.2139.4171.7150.90000109.6Q340 H344 N445Q340-S443 PolarHBondContact NE2-OG 2.9Å; H344-S443 PolarHBondContact CE1-OG 3.31Å; H344-S443 PolarHBondContact NE2-OG 2.85Å; S443-N445 PolarHBondContact O-N 3.47Å; S443-N445 WeakPolarHBondContact OG-CB 3.33Å; S443-N445 PolarHBondContact OG-N 2.72Å
444A76.3Confident75.6Confident36 Ų3658.9 Ų58.930%0.29833%0.33SS..  trans-82.32.3179.800000112.6S409 T446S409-A444 WeakPolarHBondContact O-CB 3.44Å; A444-T446 PolarHBondContact O-N 2.88Å
445N74.3Confident76.5Confident17 Ų1757 Ų579%0.09132%0.316CS..  trans-69.9118.9-178.8-174.110000111.1W343 S443 Q447W343-N445 WeakPolarHBondContact CH2-ND2 3.43Å; W343-N445 WeakPolarHBondContact CZ3-ND2 3.19Å; S443-N445 PolarHBondContact O-N 3.47Å; S443-N445 WeakPolarHBondContact OG-CB 3.33Å; S443-N445 PolarHBondContact OG-N 2.72Å; N445-Q447 WeakPolarHBondContact OD1-CB 3.36Å; N445-Q447 WeakPolarHBondContact OD1-CG 3.47Å; N445-Q447 PolarHBondContact OD1-N 2.93Å
446T59.1Low77.3Confident121 Ų12154.6 Ų54.674%0.74230%0.296SS*.  trans-95.4-1.2179.8570000113.4A444A444-T446 PolarHBondContact O-N 2.88Å
447Q63Low77.8Confident68 Ų6853.2 Ų53.232%0.31829%0.289SS..SBendtrans-69.2139.4179.7-66.8-177.117.900110.9N445 T449N445-Q447 WeakPolarHBondContact OD1-CB 3.36Å; N445-Q447 WeakPolarHBondContact OD1-CG 3.47Å; N445-Q447 PolarHBondContact OD1-N 2.93Å; Q447-T449 PolarHBondContact O-N 2.87Å
448P60.2Low78.1Confident95 Ų9556.5 Ų56.562%0.61730%0.304SS*.  trans-65.8102.917826.4-32.2000109.2D450 R451P448-D450 PolarHBondContact O-N 3.43Å; P448-R451 PolarHBondContact O-N 2.87Å
449T59.7Low78.3Confident37 Ų3751.7 Ų51.723%0.22728%0.282CS..G310 helixtrans-59.2-16.6176.948.70000112R339 Q340 Q447 R451 G452R339-T449 PolarHBondContact NE-O 2.9Å; R339-T449 PolarHBondContact NH2-O 2.84Å; Q340-T449 HydrophobicContact CB-CG2 4.41Å; Q340-T449 HydrophobicContact CG-CG2 4.4Å; Q447-T449 PolarHBondContact O-N 2.87Å; T449-R451 PolarHBondContact O-N 3.32Å; T449-G452 PolarHBondContact O-N 2.92Å
450D57.5Low78.4Confident130 Ų13052.3 Ų52.370%0.69529%0.285SS*.G310 helixtrans-58.7-21.1173.4-75.9-17.3000114.6R339 P448R339-D450 PolarHBondContact NH2-O 3.03Å; P448-D450 PolarHBondContact O-N 3.43Å
451R63.9Low78.6Confident184 Ų18454.4 Ų54.469%0.69430%0.297SS*.G310 helixtrans-11341.5178.2-64.1-168.9-178.4-169.42113.8P448 T449P448-R451 PolarHBondContact O-N 2.87Å; T449-R451 PolarHBondContact O-N 3.32Å
452G71.6Confident78.8Confident0 Ų053.8 Ų53.80%030%0.296CS..  trans-64.3173.6177.100000114.6T449 N457T449-G452 PolarHBondContact O-N 2.92Å; G452-N457 PolarHBondContact O-ND2 2.99Å
453P84.6Confident79Confident0 Ų051.3 Ų51.30%028%0.278CS..  trans-61.8151.5-176.926.2-33.4000111.5L346 M347 L455 L456 N457 D521 N522 L525L346-P453 HydrophobicContact CD1-CG 4.4Å; M347-P453 HydrophobicContact CE-CB 4.47Å; M347-P453 HydrophobicContact CE-CG 3.93Å; P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å; P453-L456 HydrophobicContact CG-CB 3.93Å; P453-L456 WeakPolarHBondContact O-CB 3.38Å; P453-L456 PolarHBondContact O-N 2.95Å; P453-N457 PolarHBondContact O-N 2.93Å; P453-N457 VanDerWaalsContact O-N 3.16Å; P453-N457 PolarHBondContact O-ND2 3.38Å; P453-D521 HydrophobicContact CB-CB 4.25Å; P453-N522 VanDerWaalsContact CA-OD1 3.25Å; P453-N522 WeakPolarHBondContact CA-OD1 3.25Å; P453-N522 WeakPolarHBondContact CB-OD1 3.36Å; P453-L525 HydrophobicContact CB-CD1 3.93Å; P453-L525 HydrophobicContact CG-CD1 3.92Å
454T88.6Confident79.4Confident45 Ų4552.4 Ų52.428%0.27629%0.286SS..Hα-helixtrans-58.3-31-175.8-55.60000112.3N457 K458 N522T454-N457 PolarHBondContact O-N 2.94Å; T454-K458 WeakPolarHBondContact O-CG 3.49Å; T454-K458 PolarHBondContact O-N 3.45Å; T454-N522 PolarHBondContact N-OD1 3.34Å; T454-N522 PolarHBondContact OG1-ND2 3.38Å
455L90.1Very high80.1Confident0 Ų053.7 Ų53.70%029%0.287CS..Hα-helixtrans-59.5-46.6172.5-177.7144.2000112.2L346 P453 K458 L459 L480 W484 W529L346-L455 HydrophobicContact CD1-CD2 3.62Å; L346-L455 HydrophobicContact CD2-CD2 3.6Å; L346-L455 HydrophobicContact CG-CD2 4.28Å; P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å; L455-K458 PolarHBondContact O-N 3.3Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 PolarHBondContact O-N 3.23Å; L455-L480 HydrophobicContact CD1-CB 4.39Å; L455-W484 HydrophobicContact CB-CD2 4.24Å; L455-W484 HydrophobicContact CB-CG 4.43Å; L455-W484 HydrophobicContact CB-CZ2 4.17Å; L455-W484 HydrophobicContact CD1-CB 4.06Å; L455-W484 HydrophobicContact CD1-CD2 4.22Å; L455-W484 HydrophobicContact CD1-CG 3.63Å; L455-W529 HydrophobicContact CD1-CH2 3.68Å; L455-W529 HydrophobicContact CD1-CZ2 4.34Å; L455-W529 HydrophobicContact CD1-CZ3 4.33Å
456L90.8Very high80.9Confident4 Ų461.1 Ų61.12%0.02132%0.322CS..Hα-helixtrans-65.9-41.7-179.8-178.158.4000111.2R339 W343 L346 P453 L459 E460R339-L456 HydrophobicContact CG-CD2 4.28Å; W343-L456 HydrophobicContact CB-CD2 3.9Å; L346-L456 HydrophobicContact CD1-CB 3.76Å; L346-L456 HydrophobicContact CD1-CD1 4.01Å; L346-L456 HydrophobicContact CD1-CG 4.32Å; P453-L456 HydrophobicContact CG-CB 3.93Å; P453-L456 WeakPolarHBondContact O-CB 3.38Å; P453-L456 PolarHBondContact O-N 2.95Å; L456-L459 PolarHBondContact O-N 3.39Å; L456-E460 PolarHBondContact O-N 3.33Å
457N89.8Confident82.5Confident53 Ų5362.8 Ų62.828%0.28333%0.326SS..Hα-helixtrans-63.6-44.1178.5-60.5-31000111.6R339 G452 P453 T454 L459 E460 V461R339-N457 PolarHBondContact NH1-OD1 3.49Å; R339-N457 PolarHBondContact NH2-OD1 3.44Å; G452-N457 PolarHBondContact O-ND2 2.99Å; P453-N457 PolarHBondContact O-N 2.93Å; P453-N457 VanDerWaalsContact O-N 3.16Å; P453-N457 PolarHBondContact O-ND2 3.38Å; T454-N457 PolarHBondContact O-N 2.94Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 2.97Å; N457-E460 PolarHBondContact O-N 3.03Å; N457-V461 WeakPolarHBondContact O-CG2 3.49Å; N457-V461 PolarHBondContact O-N 2.87Å
458K90.7Very high83.8Confident92 Ų9262 Ų6240%0.432%0.323SS..Hα-helixtrans-62.8-40.9175-73.4-176.7-179.3-177.20111.8T454 L455 V461 A462 L480 E483T454-K458 WeakPolarHBondContact O-CG 3.49Å; T454-K458 PolarHBondContact O-N 3.45Å; L455-K458 PolarHBondContact O-N 3.3Å; K458-V461 PolarHBondContact O-N 3.41Å; K458-A462 PolarHBondContact O-N 3.24Å; K458-A462 VanDerWaalsContact O-N 3.11Å; K458-L480 HydrophobicContact CB-CD1 4.08Å; K458-L480 HydrophobicContact CB-CD2 4.33Å; K458-L480 HydrophobicContact CD-CD2 3.6Å; K458-E483 IonicContact NZ-OE2 2.64Å
459L91.4Very high85.4Confident2 Ų260.4 Ų60.41%0.0132%0.315CS..Hα-helixtrans-64.2-42.9177.9178.263.3000111.9L371 L455 L456 N457 V461 A462 L463 L477L371-L459 HydrophobicContact CD2-CD2 3.32Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 PolarHBondContact O-N 3.23Å; L456-L459 PolarHBondContact O-N 3.39Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 2.97Å; L459-V461 VanDerWaalsContact C-N 3.34Å; L459-V461 PolarHBondContact O-N 3.24Å; L459-A462 PolarHBondContact O-N 2.82Å; L459-L463 HydrophobicContact CD1-CD1 4.11Å; L459-L463 HydrophobicContact CD1-CG 4.13Å; L459-L463 HydrophobicContact CD2-CD1 4.4Å; L459-L463 HydrophobicContact CG-CD1 3.85Å; L459-L463 HydrophobicContact CG-CG 4.3Å; L459-L463 WeakPolarHBondContact O-CB 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.32Å; L459-L463 PolarHBondContact O-N 3.35Å; L459-L477 HydrophobicContact CD1-CD1 4.17Å; L459-L477 HydrophobicContact CD2-CD1 4.36Å
460E90.3Very high86.9Confident42 Ų4262.3 Ų62.320%0.19633%0.326CS..Hα-helixtrans-64.4-39.5179.6-176.5168.8-15700112.3R339 L456 N457 A462 L463 S464R339-E460 IonicContact CZ-OE2 3.42Å; R339-E460 IonicContact NE-OE2 3.05Å; R339-E460 IonicContact NH1-OE2 3.94Å; R339-E460 PolarHBondContact NH1-OE2 3.46Å; L456-E460 PolarHBondContact O-N 3.33Å; N457-E460 PolarHBondContact O-N 3.03Å; E460-A462 VanDerWaalsContact C-N 3.33Å; E460-A462 PolarHBondContact O-N 3.37Å; E460-L463 PolarHBondContact O-N 2.92Å; E460-S464 WeakPolarHBondContact O-CB 3.28Å; E460-S464 PolarHBondContact O-N 3.13Å; E460-S464 PolarHBondContact O-OG 2.94Å
461V91.4Very high88.5Confident106 Ų10658.9 Ų58.964%0.64232%0.316SS*.Hα-helixtrans-61.6-42.6173.3173.90000110.8N457 K458 L459 S464 N465N457-V461 WeakPolarHBondContact O-CG2 3.49Å; N457-V461 PolarHBondContact O-N 2.87Å; K458-V461 PolarHBondContact O-N 3.41Å; L459-V461 VanDerWaalsContact C-N 3.34Å; L459-V461 PolarHBondContact O-N 3.24Å; V461-S464 PolarHBondContact O-N 2.83Å; V461-N465 PolarHBondContact O-N 3.24Å
462A91.9Very high89.9Confident9 Ų953.6 Ų53.67%0.07430%0.304CS..Hα-helixtrans-66.4-38.1176.700000112.7K458 L459 E460 L468K458-A462 PolarHBondContact O-N 3.24Å; K458-A462 VanDerWaalsContact O-N 3.11Å; L459-A462 PolarHBondContact O-N 2.82Å; E460-A462 VanDerWaalsContact C-N 3.33Å; E460-A462 PolarHBondContact O-N 3.37Å; A462-L468 HydrophobicContact CB-CD1 4.3Å
463L91.3Very high90.9Very high4 Ų454 Ų542%0.02131%0.307CS..Hα-helixtrans-71.6-33178-72.7171000112.7L326 R327 F338 L459 E460 N465 V473L326-L463 HydrophobicContact CB-CD2 3.92Å; R327-L463 HydrophobicContact CB-CD2 4.16Å; F338-L463 HydrophobicContact CE1-CD1 3.54Å; F338-L463 HydrophobicContact CZ-CD1 3.76Å; L459-L463 HydrophobicContact CD1-CD1 4.11Å; L459-L463 HydrophobicContact CD1-CG 4.13Å; L459-L463 HydrophobicContact CD2-CD1 4.4Å; L459-L463 HydrophobicContact CG-CD1 3.85Å; L459-L463 HydrophobicContact CG-CG 4.3Å; L459-L463 WeakPolarHBondContact O-CB 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.32Å; L459-L463 PolarHBondContact O-N 3.35Å; E460-L463 PolarHBondContact O-N 2.92Å; L463-N465 VanDerWaalsContact C-N 3.32Å; L463-V473 HydrophobicContact CD2-CG1 3.78Å; L463-V473 HydrophobicContact CG-CG1 4.45Å
464S90.8Very high91.3Very high56 Ų5657.6 Ų57.639%0.39233%0.331SS..Hα-helixtrans-76.1-19179-56.40000113.3R330 E460 V461 E466R330-S464 PolarHBondContact NH2-OG 2.65Å; E460-S464 WeakPolarHBondContact O-CB 3.28Å; E460-S464 PolarHBondContact O-N 3.13Å; E460-S464 PolarHBondContact O-OG 2.94Å; V461-S464 PolarHBondContact O-N 2.83Å; S464-E466 PolarHBondContact O-N 3Å
465N91.7Very high91.4Very high62 Ų6261.4 Ų61.433%0.33235%0.346SS..  trans-84.1104.2179.2-170.9-10.6000111.1R327 V461 L463 N467 L468R327-N465 PolarHBondContact NH2-O 2.98Å; R327-N465 VanDerWaalsContact NH2-O 3.08Å; V461-N465 PolarHBondContact O-N 3.24Å; L463-N465 VanDerWaalsContact C-N 3.32Å; N465-N467 PolarHBondContact O-N 3.03Å; N465-N467 VanDerWaalsContact OD1-CB 3.31Å; N465-N467 WeakPolarHBondContact OD1-CB 3.46Å; N465-N467 PolarHBondContact OD1-N 3.2Å; N465-N467 VanDerWaalsContact OD1-N 3.08Å; N465-N467 PolarHBondContact OD1-ND2 3.45Å; N465-L468 HydrophobicContact CB-CD1 3.98Å; N465-L468 HydrophobicContact CB-CG 4.03Å; N465-L468 PolarHBondContact O-N 3.11Å
466E89.7Confident91.6Very high174 Ų17463.8 Ų63.881%0.81336%0.362SS*.THydrogen-bonded Turntrans-66-23.1179.9-63.1-174.1169.500113.4S464 L468S464-E466 PolarHBondContact O-N 3Å; E466-L468 PolarHBondContact O-N 3.35Å
467N92.9Very high91.8Very high155 Ų15563.9 Ų63.983%0.82936%0.362SS*.THydrogen-bonded Turntrans-70.4-17.1178-58.5-55.2000113N465N465-N467 PolarHBondContact O-N 3.03Å; N465-N467 VanDerWaalsContact OD1-CB 3.31Å; N465-N467 WeakPolarHBondContact OD1-CB 3.46Å; N465-N467 PolarHBondContact OD1-N 3.2Å; N465-N467 VanDerWaalsContact OD1-N 3.08Å; N465-N467 PolarHBondContact OD1-ND2 3.45Å
468L91.9Very high91.9Very high51 Ų5165 Ų6527%0.26737%0.368SS..SBendtrans-84.4130.3177.3-59.3-179.8000109.7R327 A462 N465 E466 V472 V473R327-L468 VanDerWaalsContact CZ-O 3.23Å; R327-L468 PolarHBondContact NH1-O 2.69Å; R327-L468 PolarHBondContact NH2-O 3.25Å; A462-L468 HydrophobicContact CB-CD1 4.3Å; N465-L468 HydrophobicContact CB-CD1 3.98Å; N465-L468 HydrophobicContact CB-CG 4.03Å; N465-L468 PolarHBondContact O-N 3.11Å; E466-L468 PolarHBondContact O-N 3.35Å; L468-V472 HydrophobicContact CD2-CG1 4.09Å; L468-V473 HydrophobicContact CB-CG2 3.95Å; L468-V473 HydrophobicContact CD1-CG2 4.48Å
469S93.1Very high92Very high62 Ų6264.2 Ų64.243%0.43437%0.374SS..  trans-70.4158.7171.9750000111.3A471 V472 V473S469-A471 PolarHBondContact O-N 3.42Å; S469-V472 PolarHBondContact O-N 3.38Å; S469-V472 VanDerWaalsContact O-N 3.12Å; S469-V472 WeakPolarHBondContact OG-CG2 3.37Å; S469-V472 PolarHBondContact OG-N 3.38Å; S469-V473 PolarHBondContact O-N 3.33Å
470V90.4Very high92.2Very high77 Ų7764.8 Ų64.847%0.46738%0.376SS..Hα-helixtrans-57.9-38177.81800000111.4V473 S474V470-V473 PolarHBondContact O-N 2.94Å; V470-S474 PolarHBondContact O-N 3.17Å
471A91.4Very high92.3Very high59 Ų5963.7 Ų63.749%0.48837%0.371SS..Hα-helixtrans-65.4-39.9177.400000112.5S469 S474 H475S469-A471 PolarHBondContact O-N 3.42Å; A471-S474 WeakPolarHBondContact O-CB 3.37Å; A471-S474 PolarHBondContact O-N 3.12Å; A471-H475 PolarHBondContact O-N 3.39Å; A471-H475 PolarHBondContact O-ND1 2.9Å
472V94.1Very high92.4Very high72 Ų7262.3 Ų62.344%0.43636%0.357SS..Hα-helixtrans-66.5-41.6176.9171.60000110.8L468 S469 S474 H475 C476L468-V472 HydrophobicContact CD2-CG1 4.09Å; S469-V472 PolarHBondContact O-N 3.38Å; S469-V472 VanDerWaalsContact O-N 3.12Å; S469-V472 WeakPolarHBondContact OG-CG2 3.37Å; S469-V472 PolarHBondContact OG-N 3.38Å; V472-S474 VanDerWaalsContact C-N 3.32Å; V472-S474 PolarHBondContact O-N 3.49Å; V472-H475 PolarHBondContact O-N 2.95Å; V472-C476 WeakPolarHBondContact O-CB 3.38Å; V472-C476 PolarHBondContact O-N 3.14Å
473V92.9Very high92.4Very high10 Ų1065 Ų656%0.06137%0.369CS..Hα-helixtrans-62.1-41.6174.7175.60000111L463 L468 S469 V470 H475 C476 L477L463-V473 HydrophobicContact CD2-CG1 3.78Å; L463-V473 HydrophobicContact CG-CG1 4.45Å; L468-V473 HydrophobicContact CB-CG2 3.95Å; L468-V473 HydrophobicContact CD1-CG2 4.48Å; S469-V473 PolarHBondContact O-N 3.33Å; V470-V473 PolarHBondContact O-N 2.94Å; V473-H475 PolarHBondContact O-N 3.35Å; V473-C476 PolarHBondContact O-N 3.09Å; V473-L477 WeakPolarHBondContact O-CB 3.39Å; V473-L477 PolarHBondContact O-N 3.13Å
474S91.5Very high92.6Very high74 Ų7464.9 Ų64.952%0.51737%0.368SS..Hα-helixtrans-61-43.6175.9-1700000112.3V470 A471 V472 L477 L478V470-S474 PolarHBondContact O-N 3.17Å; A471-S474 WeakPolarHBondContact O-CB 3.37Å; A471-S474 PolarHBondContact O-N 3.12Å; V472-S474 VanDerWaalsContact C-N 3.32Å; V472-S474 PolarHBondContact O-N 3.49Å; S474-L477 PolarHBondContact O-N 2.86Å; S474-L478 PolarHBondContact O-N 3.21Å
475H92.5Very high92.7Very high125 Ų12562.7 Ų62.758%0.57935%0.351SS*.Hα-helixtrans-67.6-40.5176-77.578000111.9A471 V472 V473 L477 L478 C479A471-H475 PolarHBondContact O-N 3.39Å; A471-H475 PolarHBondContact O-ND1 2.9Å; V472-H475 PolarHBondContact O-N 2.95Å; V473-H475 PolarHBondContact O-N 3.35Å; H475-L477 VanDerWaalsContact C-N 3.31Å; H475-L477 PolarHBondContact O-N 2.79Å; H475-L478 WeakPolarHBondContact O-CB 3.44Å; H475-L478 PolarHBondContact O-N 3.44Å; H475-C479 PolarHBondContact O-N 3.28Å; H475-C479 PolarHBondContact O-SG 2.91Å
476C94Very high92.8Very high50 Ų5063.9 Ų63.934%0.33836%0.358SS..Hα-helixtrans-59.6-43.8175-176.30000111.2V472 V473 L478 C479 L480V472-C476 WeakPolarHBondContact O-CB 3.38Å; V472-C476 PolarHBondContact O-N 3.14Å; V473-C476 PolarHBondContact O-N 3.09Å; C476-L478 PolarHBondContact O-N 3.23Å; C476-C479 PolarHBondContact O-N 3.04Å; C476-L480 WeakPolarHBondContact O-CB 3.46Å; C476-L480 VanDerWaalsContact O-CG 3.28Å; C476-L480 WeakPolarHBondContact O-CG 3.21Å; C476-L480 PolarHBondContact O-N 3.27Å
477L93.3Very high92.9Very high6 Ų656.8 Ų56.83%0.03133%0.325CS..Hα-helixtrans-61.5-42.6174.9177.361.8000111.9L326 S370 L371 L459 V473 S474 H475 L480 K481L326-L477 HydrophobicContact CD1-CD2 3.54Å; S370-L477 WeakPolarHBondContact O-CD2 3.21Å; L371-L477 HydrophobicContact CD2-CD1 4.04Å; L371-L477 HydrophobicContact CD2-CD2 4.06Å; L459-L477 HydrophobicContact CD1-CD1 4.17Å; L459-L477 HydrophobicContact CD2-CD1 4.36Å; V473-L477 WeakPolarHBondContact O-CB 3.39Å; V473-L477 PolarHBondContact O-N 3.13Å; S474-L477 PolarHBondContact O-N 2.86Å; H475-L477 VanDerWaalsContact C-N 3.31Å; H475-L477 PolarHBondContact O-N 2.79Å; L477-L480 PolarHBondContact O-N 3.31Å; L477-K481 HydrophobicContact CD1-CG 4.41Å; L477-K481 WeakPolarHBondContact O-CB 3.33Å; L477-K481 WeakPolarHBondContact O-CG 3.26Å; L477-K481 PolarHBondContact O-N 3.49Å
478L92.7Very high93Very high76 Ų7649.4 Ų49.440%0.39829%0.285SS..Hα-helixtrans-58.7-49.8175.5-177.666.7000111.1S474 H475 C476 L480 K481 E482S474-L478 PolarHBondContact O-N 3.21Å; H475-L478 WeakPolarHBondContact O-CB 3.44Å; H475-L478 PolarHBondContact O-N 3.44Å; C476-L478 PolarHBondContact O-N 3.23Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 2.91Å; L478-K481 WeakPolarHBondContact O-CB 3.31Å; L478-K481 PolarHBondContact O-N 3.38Å; L478-E482 WeakPolarHBondContact O-CG 3.42Å; L478-E482 PolarHBondContact O-N 3.05Å
479C93.9Very high93Very high77 Ų7748.7 Ų48.752%0.5228%0.28SS..Hα-helixtrans-61.2-40.1177.8-63.30000112.4H475 C476 E482 E483H475-C479 PolarHBondContact O-N 3.28Å; H475-C479 PolarHBondContact O-SG 2.91Å; C476-C479 PolarHBondContact O-N 3.04Å; C479-E482 PolarHBondContact O-N 2.97Å; C479-E483 WeakPolarHBondContact O-CB 3.42Å; C479-E483 PolarHBondContact O-N 2.89Å
480L93.6Very high92.9Very high13 Ų1349 Ų497%0.06828%0.279CS..Hα-helixtrans-65.1-43.7175.5-71.4172000111.2L455 K458 C476 L477 L478 E482 E483 W484L455-L480 HydrophobicContact CD1-CB 4.39Å; K458-L480 HydrophobicContact CB-CD1 4.08Å; K458-L480 HydrophobicContact CB-CD2 4.33Å; K458-L480 HydrophobicContact CD-CD2 3.6Å; C476-L480 WeakPolarHBondContact O-CB 3.46Å; C476-L480 VanDerWaalsContact O-CG 3.28Å; C476-L480 WeakPolarHBondContact O-CG 3.21Å; C476-L480 PolarHBondContact O-N 3.27Å; L477-L480 PolarHBondContact O-N 3.31Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 2.91Å; L480-E482 VanDerWaalsContact C-N 3.33Å; L480-E482 PolarHBondContact O-N 3.49Å; L480-E483 PolarHBondContact O-N 3.35Å; L480-W484 PolarHBondContact O-N 2.85Å
481K93.6Very high92.9Very high19 Ų1945.8 Ų45.88%0.08326%0.259CS..Hα-helixtrans-58.1-46.9174.4-81.9-178.247179.80111.3D269 S370 L372 L477 L478 W484 M485 W529D269-K481 IonicContact OD2-NZ 3.8Å; D269-K481 PolarHBondContact OD2-NZ 2.93Å; S370-K481 VanDerWaalsContact O-CD 3.26Å; S370-K481 WeakPolarHBondContact O-CD 3.48Å; L372-K481 VanDerWaalsContact O-CE 3.32Å; L372-K481 WeakPolarHBondContact O-CE 3.24Å; L372-K481 PolarHBondContact O-NZ 3.35Å; L477-K481 HydrophobicContact CD1-CG 4.41Å; L477-K481 WeakPolarHBondContact O-CB 3.33Å; L477-K481 WeakPolarHBondContact O-CG 3.26Å; L477-K481 PolarHBondContact O-N 3.49Å; L478-K481 WeakPolarHBondContact O-CB 3.31Å; L478-K481 PolarHBondContact O-N 3.38Å; K481-W484 PolarHBondContact O-N 3.37Å; K481-M485 WeakPolarHBondContact O-CB 3.4Å; K481-M485 WeakPolarHBondContact O-CG 3.38Å; K481-M485 PolarHBondContact O-N 3.4Å; K481-W529 HydrophobicContact CG-CH2 4.16Å
482E92.3Very high92.9Very high77 Ų7743.8 Ų43.836%0.3624%0.239SC..Hα-helixtrans-64-43.4178.8-72.6-179.4172.300112.2L478 C479 L480 W484 M485 N486L478-E482 WeakPolarHBondContact O-CG 3.42Å; L478-E482 PolarHBondContact O-N 3.05Å; C479-E482 PolarHBondContact O-N 2.97Å; L480-E482 VanDerWaalsContact C-N 3.33Å; L480-E482 PolarHBondContact O-N 3.49Å; E482-W484 VanDerWaalsContact C-N 3.3Å; E482-W484 PolarHBondContact O-N 3.42Å; E482-M485 PolarHBondContact O-N 2.77Å; E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.28Å; E482-N486 PolarHBondContact O-ND2 3Å; E482-N486 VanDerWaalsContact O-ND2 3.14Å
483E93.6Very high92.7Very high67 Ų6744 Ų4431%0.31324%0.235SC..Hα-helixtrans-53.8-49.8174.2-172.6-160.4139.700110.3K458 C479 L480 N486 K487K458-E483 IonicContact NZ-OE2 2.64Å; C479-E483 WeakPolarHBondContact O-CB 3.42Å; C479-E483 PolarHBondContact O-N 2.89Å; L480-E483 PolarHBondContact O-N 3.35Å; E483-N486 PolarHBondContact O-N 3.24Å; E483-K487 WeakPolarHBondContact O-CG 3.45Å; E483-K487 PolarHBondContact O-N 3.08Å; E483-K487 VanDerWaalsContact O-N 3.12Å; E483-K487 VanDerWaalsContact OE1-CE 3.26Å; E483-K487 WeakPolarHBondContact OE1-CE 3.32Å; E483-K487 IonicContact OE1-NZ 3.89Å; E483-K487 PolarHBondContact OE1-NZ 2.95Å
484W93.8Very high92.4Very high1 Ų145 Ų450%0.00424%0.238CC..Hα-helixtrans-73.3-37.4-177.1-79.576.1000113.1L455 L480 K481 E482 N486 K487 V488 N522 L525 L526 W529L455-W484 HydrophobicContact CB-CD2 4.24Å; L455-W484 HydrophobicContact CB-CG 4.43Å; L455-W484 HydrophobicContact CB-CZ2 4.17Å; L455-W484 HydrophobicContact CD1-CB 4.06Å; L455-W484 HydrophobicContact CD1-CD2 4.22Å; L455-W484 HydrophobicContact CD1-CG 3.63Å; L480-W484 PolarHBondContact O-N 2.85Å; K481-W484 PolarHBondContact O-N 3.37Å; E482-W484 VanDerWaalsContact C-N 3.3Å; E482-W484 PolarHBondContact O-N 3.42Å; W484-N486 VanDerWaalsContact C-N 3.29Å; W484-N486 PolarHBondContact O-N 3.45Å; W484-K487 HydrophobicContact CD2-CD 4.49Å; W484-K487 WeakPolarHBondContact O-CB 3.4Å; W484-K487 PolarHBondContact O-N 3.22Å; W484-V488 VanDerWaalsContact O-CG2 3.31Å; W484-V488 WeakPolarHBondContact O-CG2 3.38Å; W484-V488 PolarHBondContact O-N 3.27Å; W484-N522 HydrophobicContact CH2-CB 3.96Å; W484-N522 VanDerWaalsContact CH2-OD1 3.3Å; W484-N522 WeakPolarHBondContact CH2-OD1 3.39Å; W484-N522 HydrophobicContact CZ3-CB 4.24Å; W484-L525 HydrophobicContact CD2-CD2 4.29Å; W484-L525 HydrophobicContact CE3-CD2 3.48Å; W484-L525 VanDerWaalsContact CE3-CD2 3.48Å; W484-L525 HydrophobicContact CZ3-CD2 3.91Å; W484-L526 HydrophobicContact CE3-CD2 3.81Å; W484-L526 HydrophobicContact CE3-CG 4.28Å; W484-L526 HydrophobicContact CZ3-CD2 4.1Å; W484-L526 HydrophobicContact CZ3-CG 4.08Å; W484-W529 HydrophobicContact CB-CE3 4.05Å; W484-W529 HydrophobicContact CB-CH2 4.37Å; W484-W529 HydrophobicContact CB-CZ3 3.6Å
485M94.2Very high92.1Very high9 Ų943.6 Ų43.64%0.04423%0.228CC..Hα-helixtrans-63.5-35.7172.4-77.4-56.9-67.700112.1E268 P373 K481 E482 V488 K489 W529 L533E268-M485 HydrophobicContact CB-CE 4Å; E268-M485 HydrophobicContact CG-CE 3.84Å; P373-M485 HydrophobicContact CB-CE 4.29Å; P373-M485 HydrophobicContact CB-CG 4.28Å; P373-M485 HydrophobicContact CB-SD 3.84Å; P373-M485 HydrophobicContact CG-CE 4.37Å; P373-M485 HydrophobicContact CG-CG 3.79Å; P373-M485 HydrophobicContact CG-SD 3.3Å; P373-M485 WeakPolarHBondContact CG-SD 3.38Å; K481-M485 WeakPolarHBondContact O-CB 3.4Å; K481-M485 WeakPolarHBondContact O-CG 3.38Å; K481-M485 PolarHBondContact O-N 3.4Å; E482-M485 PolarHBondContact O-N 2.77Å; M485-V488 WeakPolarHBondContact O-CB 3.34Å; M485-V488 PolarHBondContact O-N 2.94Å; M485-K489 WeakPolarHBondContact O-CG 3.35Å; M485-K489 PolarHBondContact O-N 3.46Å; M485-W529 HydrophobicContact CG-CE3 4Å; M485-W529 HydrophobicContact CG-CZ3 4.13Å; M485-W529 HydrophobicContact SD-CB 4.28Å; M485-W529 HydrophobicContact SD-CD2 4.38Å; M485-W529 HydrophobicContact SD-CE3 3.63Å; M485-W529 HydrophobicContact SD-CZ3 4.33Å; M485-L533 HydrophobicContact CE-CD2 3.85Å; M485-L533 HydrophobicContact CE-CG 4.47Å
486N93Very high91.7Very high88 Ų8843.7 Ų43.747%0.47123%0.227SC..Hα-helixtrans-65.9-39.5173.1-71.7-29.2000111.9E482 E483 W484 V488 K489 V490E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.28Å; E482-N486 PolarHBondContact O-ND2 3Å; E482-N486 VanDerWaalsContact O-ND2 3.14Å; E483-N486 PolarHBondContact O-N 3.24Å; W484-N486 VanDerWaalsContact C-N 3.29Å; W484-N486 PolarHBondContact O-N 3.45Å; N486-V488 VanDerWaalsContact C-N 3.3Å; N486-V488 PolarHBondContact O-N 3.08Å; N486-K489 WeakPolarHBondContact O-CB 3.1Å; N486-K489 PolarHBondContact O-N 3.18Å; N486-V490 WeakPolarHBondContact O-CG2 3.17Å; N486-V490 PolarHBondContact O-N 2.85Å
487K93.3Very high91Very high25 Ų2542.3 Ų42.311%0.10922%0.217CC..Hα-helixtrans-60-41.6171.2-65.8176.7-173.3-178.50111.6E483 W484 V490 L491 L512 L526E483-K487 WeakPolarHBondContact O-CG 3.45Å; E483-K487 PolarHBondContact O-N 3.08Å; E483-K487 VanDerWaalsContact O-N 3.12Å; E483-K487 VanDerWaalsContact OE1-CE 3.26Å; E483-K487 WeakPolarHBondContact OE1-CE 3.32Å; E483-K487 IonicContact OE1-NZ 3.89Å; E483-K487 PolarHBondContact OE1-NZ 2.95Å; W484-K487 HydrophobicContact CD2-CD 4.49Å; W484-K487 WeakPolarHBondContact O-CB 3.4Å; W484-K487 PolarHBondContact O-N 3.22Å; K487-V490 PolarHBondContact O-N 3.46Å; K487-L491 WeakPolarHBondContact O-CB 3.37Å; K487-L491 PolarHBondContact O-N 3.3Å; K487-L512 HydrophobicContact CB-CD1 4.19Å; K487-L512 HydrophobicContact CD-CB 4.29Å; K487-L512 WeakPolarHBondContact CE-O 3.49Å; K487-L512 HydrophobicContact CG-CB 4.21Å; K487-L512 HydrophobicContact CG-CD1 4.49Å; K487-L512 HydrophobicContact CG-CD2 4.17Å; K487-L512 PolarHBondContact NZ-O 3.02Å; K487-L526 HydrophobicContact CB-CD2 3.82Å
488V93.9Very high90.4Very high0 Ų044.6 Ų44.60%023%0.229CC..Hα-helixtrans-61.8-44.3175.9172.30000111.4W484 M485 N486 V490 L491 F492 L526 W529 M530 L533W484-V488 VanDerWaalsContact O-CG2 3.31Å; W484-V488 WeakPolarHBondContact O-CG2 3.38Å; W484-V488 PolarHBondContact O-N 3.27Å; M485-V488 WeakPolarHBondContact O-CB 3.34Å; M485-V488 PolarHBondContact O-N 2.94Å; N486-V488 VanDerWaalsContact C-N 3.3Å; N486-V488 PolarHBondContact O-N 3.08Å; V488-V490 PolarHBondContact O-N 3.04Å; V488-L491 PolarHBondContact O-N 2.85Å; V488-F492 WeakPolarHBondContact O-CB 3.4Å; V488-F492 PolarHBondContact O-N 3.31Å; V488-L526 HydrophobicContact CG2-CD2 3.61Å; V488-W529 HydrophobicContact CG2-CB 3.66Å; V488-M530 VanDerWaalsContact CG1-CA 3.45Å; V488-M530 HydrophobicContact CG1-CB 4.01Å; V488-M530 HydrophobicContact CG1-CG 4.43Å; V488-L533 HydrophobicContact CG1-CD1 3.96Å; V488-L533 HydrophobicContact CG1-CD2 4.22Å; V488-L533 HydrophobicContact CG1-CG 3.95Å
489K91.9Very high89.6Confident35 Ų3543.8 Ų43.815%0.15224%0.239CC..Hα-helixtrans-58.2-47.7175.4-73.1177.5-177.9-166.50112.1E268 M485 N486 F492 K493 L533 Y537E268-K489 WeakPolarHBondContact OE1-CE 3.05Å; E268-K489 IonicContact OE1-NZ 2.63Å; E268-K489 PolarHBondContact OE1-NZ 3.44Å; M485-K489 WeakPolarHBondContact O-CG 3.35Å; M485-K489 PolarHBondContact O-N 3.46Å; N486-K489 WeakPolarHBondContact O-CB 3.1Å; N486-K489 PolarHBondContact O-N 3.18Å; K489-F492 PolarHBondContact O-N 2.93Å; K489-K493 PolarHBondContact O-N 3.44Å; K489-L533 HydrophobicContact CG-CD2 3.74Å; K489-Y537 HydrophobicContact CB-CE1 4.44Å; K489-Y537 HydrophobicContact CG-CE1 4Å
490V91.6Very high88.9Confident69 Ų6946.1 Ų46.142%0.41824%0.237SC..Hα-helixtrans-61.2-46.7177.7174.10000110.5N486 K487 V488 F492 K493 F494 V508 L512N486-V490 WeakPolarHBondContact O-CG2 3.17Å; N486-V490 PolarHBondContact O-N 2.85Å; K487-V490 PolarHBondContact O-N 3.46Å; V488-V490 PolarHBondContact O-N 3.04Å; V490-F492 PolarHBondContact O-N 2.93Å; V490-K493 PolarHBondContact O-N 3.18Å; V490-F494 WeakPolarHBondContact O-CB 3.34Å; V490-F494 PolarHBondContact O-N 3.49Å; V490-V508 HydrophobicContact CG1-CG1 4.14Å; V490-L512 HydrophobicContact CB-CD1 4.42Å; V490-L512 HydrophobicContact CB-CD2 4.5Å; V490-L512 HydrophobicContact CG1-CD1 4.23Å; V490-L512 HydrophobicContact CG1-CD2 4.29Å
491L91Very high88.3Confident9 Ų947.7 Ų47.75%0.04726%0.256CS..Hα-helixtrans-63.5-41.5178.2-176.664.7000112.1K487 V488 F494 S495 T505 L509 L526 M530K487-L491 WeakPolarHBondContact O-CB 3.37Å; K487-L491 PolarHBondContact O-N 3.3Å; V488-L491 PolarHBondContact O-N 2.85Å; L491-F494 PolarHBondContact O-N 2.95Å; L491-S495 WeakPolarHBondContact O-CB 3.49Å; L491-S495 PolarHBondContact O-N 3.39Å; L491-T505 HydrophobicContact CD1-CG2 3.85Å; L491-L509 HydrophobicContact CD1-CD2 4.1Å; L491-L509 HydrophobicContact CD1-CG 4.43Å; L491-L509 HydrophobicContact CD2-CD2 4.26Å; L491-L526 HydrophobicContact CD2-CB 3.85Å; L491-L526 HydrophobicContact CD2-CD1 4.29Å; L491-M530 HydrophobicContact CB-CE 4.32Å; L491-M530 HydrophobicContact CD2-CE 3.84Å; L491-M530 HydrophobicContact CG-CE 3.82Å
492F90.8Very high87.6Confident17 Ų1757.4 Ų57.48%0.07529%0.293CS..Hα-helixtrans-61.6-48.2177.2177.1-101.9000111V488 K489 V490 F494 K496 V497 M530 L533 Y537 K538 L541V488-F492 WeakPolarHBondContact O-CB 3.4Å; V488-F492 PolarHBondContact O-N 3.31Å; K489-F492 PolarHBondContact O-N 2.93Å; V490-F492 PolarHBondContact O-N 2.93Å; F492-F494 VanDerWaalsContact C-N 3.34Å; F492-F494 PolarHBondContact O-N 2.89Å; F492-K496 HydrophobicContact CD2-CB 3.91Å; F492-K496 HydrophobicContact CD2-CG 3.83Å; F492-K496 HydrophobicContact CE2-CB 3.78Å; F492-K496 HydrophobicContact CE2-CG 3.92Å; F492-K496 HydrophobicContact CZ-CB 4.34Å; F492-K496 WeakPolarHBondContact O-CA 3.24Å; F492-K496 WeakPolarHBondContact O-CB 3.4Å; F492-K496 PolarHBondContact O-N 3.41Å; F492-V497 HydrophobicContact CD1-CG2 4.28Å; F492-V497 HydrophobicContact CE1-CG2 3.94Å; F492-V497 PolarHBondContact O-N 3.27Å; F492-M530 HydrophobicContact CB-CE 4.28Å; F492-M530 HydrophobicContact CB-CG 4.22Å; F492-M530 HydrophobicContact CB-SD 4.37Å; F492-M530 HydrophobicContact CD2-CG 3.76Å; F492-M530 HydrophobicContact CD2-SD 3.8Å; F492-M530 HydrophobicContact CG-CG 4.41Å; F492-L533 HydrophobicContact CB-CD1 3.62Å; F492-L533 HydrophobicContact CD1-CD1 4.06Å; F492-L533 HydrophobicContact CD2-CD1 4.07Å; F492-L533 HydrophobicContact CG-CD1 3.64Å; F492-Y537 HydrophobicContact CD1-CE1 4.38Å; F492-K538 HydrophobicContact CE1-CB 4.36Å; F492-K538 HydrophobicContact CE1-CG 3.98Å; F492-K538 HydrophobicContact CE2-CG 4.29Å; F492-K538 HydrophobicContact CZ-CB 4.14Å; F492-K538 HydrophobicContact CZ-CD 4.47Å; F492-K538 HydrophobicContact CZ-CG 3.7Å; F492-L541 HydrophobicContact CD1-CD2 3.8Å; F492-L541 HydrophobicContact CE1-CD2 3.99Å
493K89.8Confident87.2Confident78 Ų7860.4 Ų60.434%0.33931%0.307SS..Iπ-helixtrans-54.5-52.8174.4-178.6167.716841.90111.1K489 V490 V497 D498 L541K489-K493 PolarHBondContact O-N 3.44Å; V490-K493 PolarHBondContact O-N 3.18Å; K493-V497 WeakPolarHBondContact O-CA 3.36Å; K493-V497 VanDerWaalsContact O-CB 3.27Å; K493-V497 WeakPolarHBondContact O-CB 3.29Å; K493-V497 PolarHBondContact O-N 3Å; K493-V497 VanDerWaalsContact O-N 3.16Å; K493-D498 IonicContact NZ-OD1 2.89Å; K493-D498 PolarHBondContact NZ-OD1 2.78Å; K493-D498 IonicContact NZ-OD2 2.69Å; K493-D498 PolarHBondContact O-N 3.49Å; K493-L541 HydrophobicContact CB-CD2 3.86Å; K493-L541 HydrophobicContact CD-CD1 4.38Å; K493-L541 HydrophobicContact CG-CD2 4.21Å
494F86.4Confident86.8Confident30 Ų3059.8 Ų59.813%0.13231%0.306CS..Iπ-helixtrans-70.4-39.6-171.4-161.3-92000113.3V490 L491 F492 R500 D504 V508V490-F494 WeakPolarHBondContact O-CB 3.34Å; V490-F494 PolarHBondContact O-N 3.49Å; L491-F494 PolarHBondContact O-N 2.95Å; F492-F494 VanDerWaalsContact C-N 3.34Å; F492-F494 PolarHBondContact O-N 2.89Å; F494-R500 HydrophobicContact CD1-CB 4.09Å; F494-R500 HydrophobicContact CE1-CB 3.72Å; F494-R500 HydrophobicContact CE1-CG 4.22Å; F494-R500 HydrophobicContact CZ-CB 4.23Å; F494-R500 HydrophobicContact CZ-CG 4.3Å; F494-D504 VanDerWaalsContact CE1-C 3.41Å; F494-D504 HydrophobicContact CE1-CB 3.63Å; F494-D504 WeakPolarHBondContact CE1-O 3.39Å; F494-D504 HydrophobicContact CZ-CB 3.73Å; F494-V508 HydrophobicContact CD1-CG2 3.89Å; F494-V508 HydrophobicContact CD2-CG2 3.85Å; F494-V508 HydrophobicContact CE1-CG2 3.67Å; F494-V508 HydrophobicContact CE2-CG2 3.6Å; F494-V508 HydrophobicContact CG-CG2 3.95Å; F494-V508 HydrophobicContact CZ-CG2 3.48Å; F494-V508 VanDerWaalsContact CZ-CG2 3.48Å
495S84.7Confident86.2Confident44 Ų4460.9 Ų60.931%0.30831%0.313SS..Iπ-helixtrans-87.6-41.7-175.1-177.70000113.1L491L491-S495 WeakPolarHBondContact O-CB 3.49Å; L491-S495 PolarHBondContact O-N 3.39Å
496K83.9Confident85.8Confident128 Ų12866.4 Ų66.456%0.55734%0.338SS*.Iπ-helixtrans-99.9-32-172.1-64.3-63.3-173.1177.30113.8F492 M530F492-K496 HydrophobicContact CD2-CB 3.91Å; F492-K496 HydrophobicContact CD2-CG 3.83Å; F492-K496 HydrophobicContact CE2-CB 3.78Å; F492-K496 HydrophobicContact CE2-CG 3.92Å; F492-K496 HydrophobicContact CZ-CB 4.34Å; F492-K496 WeakPolarHBondContact O-CA 3.24Å; F492-K496 WeakPolarHBondContact O-CB 3.4Å; F492-K496 PolarHBondContact O-N 3.41Å; K496-M530 HydrophobicContact CG-SD 4.18Å
497V80.4Confident85.4Confident21 Ų2167.9 Ų67.913%0.12734%0.34CS..Iπ-helixtrans-93.4-51.5-176.7-168.70000110.9F492 K493 G499 L541 M542 V545F492-V497 HydrophobicContact CD1-CG2 4.28Å; F492-V497 HydrophobicContact CE1-CG2 3.94Å; F492-V497 PolarHBondContact O-N 3.27Å; K493-V497 WeakPolarHBondContact O-CA 3.36Å; K493-V497 VanDerWaalsContact O-CB 3.27Å; K493-V497 WeakPolarHBondContact O-CB 3.29Å; K493-V497 PolarHBondContact O-N 3Å; K493-V497 VanDerWaalsContact O-N 3.16Å; V497-G499 VanDerWaalsContact C-N 3.35Å; V497-L541 HydrophobicContact CG1-CG 4.49Å; V497-L541 HydrophobicContact CG2-CD2 3.71Å; V497-L541 HydrophobicContact CG2-CG 3.93Å; V497-M542 HydrophobicContact CB-SD 4.3Å; V497-M542 HydrophobicContact CG1-SD 4.26Å; V497-M542 HydrophobicContact CG2-SD 3.77Å; V497-V545 HydrophobicContact CG1-CB 3.74Å; V497-V545 HydrophobicContact CG1-CG1 4.25Å; V497-V545 HydrophobicContact CG1-CG2 3.41Å; V497-V545 VanDerWaalsContact CG1-CG2 3.41Å
498D80.5Confident85.1Confident53 Ų5367.5 Ų67.528%0.28334%0.34SS..SBendtrans-80.3-16-179.3-64.811.6000112.6K493 R500K493-D498 IonicContact NZ-OD1 2.89Å; K493-D498 PolarHBondContact NZ-OD1 2.78Å; K493-D498 IonicContact NZ-OD2 2.69Å; K493-D498 PolarHBondContact O-N 3.49Å; D498-R500 VanDerWaalsContact C-N 3.29Å; D498-R500 HydrophobicContact CB-CG 3.89Å; D498-R500 PolarHBondContact O-N 3.45Å; D498-R500 IonicContact OD2-CZ 3.54Å; D498-R500 IonicContact OD2-NE 3.57Å; D498-R500 PolarHBondContact OD2-NE 2.94Å; D498-R500 IonicContact OD2-NH2 2.74Å; D498-R500 PolarHBondContact OD2-NH2 3.25Å
499G75.6Confident84.8Confident60 Ų6068.2 Ų68.262%0.61934%0.344SS*.  trans63.427175.600000115.3V497V497-G499 VanDerWaalsContact C-N 3.35Å
500R79.4Confident84.5Confident125 Ų12568.8 Ų68.847%0.47236%0.355SS..  trans-71.1157.2-172.2-65.1176.4-176.2-123.36.3113.2F494 D498 D504F494-R500 HydrophobicContact CD1-CB 4.09Å; F494-R500 HydrophobicContact CE1-CB 3.72Å; F494-R500 HydrophobicContact CE1-CG 4.22Å; F494-R500 HydrophobicContact CZ-CB 4.23Å; F494-R500 HydrophobicContact CZ-CG 4.3Å; D498-R500 VanDerWaalsContact C-N 3.29Å; D498-R500 HydrophobicContact CB-CG 3.89Å; D498-R500 PolarHBondContact O-N 3.45Å; D498-R500 IonicContact OD2-CZ 3.54Å; D498-R500 IonicContact OD2-NE 3.57Å; D498-R500 PolarHBondContact OD2-NE 2.94Å; D498-R500 IonicContact OD2-NH2 2.74Å; D498-R500 PolarHBondContact OD2-NH2 3.25Å; R500-D504 HydrophobicContact CB-CB 4.36Å
501G80.1Confident84.3Confident46 Ų4672.9 Ų72.947%0.47437%0.374SS..  trans-61.7164.8-178.800000114.4E503 D504 T505G501-E503 VanDerWaalsContact C-N 3.32Å; G501-E503 PolarHBondContact O-N 3.48Å; G501-D504 PolarHBondContact O-N 3.24Å; G501-T505 PolarHBondContact O-N 3.12Å; G501-T505 VanDerWaalsContact O-N 3.12Å; G501-T505 PolarHBondContact O-OG1 3.01Å; G501-T505 VanDerWaalsContact O-OG1 3.07Å
502R80.3Confident84Confident223 Ų22374.2 Ų74.284%0.84238%0.381SS*.Hα-helixtrans-61.4-37.7-179.5-71.4-172.1-179.6-174.71.6112.9T505 Q506R502-T505 PolarHBondContact O-N 3.24Å; R502-Q506 WeakPolarHBondContact O-CG 3.26Å; R502-Q506 PolarHBondContact O-N 2.9Å
503E83Confident83.6Confident140 Ų14075.5 Ų75.565%0.65440%0.399SS*.Hα-helixtrans-62.8-44.5179.5-62.8-176.3178.600111.9G501 T505 Q506 K507G501-E503 VanDerWaalsContact C-N 3.32Å; G501-E503 PolarHBondContact O-N 3.48Å; E503-T505 VanDerWaalsContact C-N 3.32Å; E503-T505 PolarHBondContact O-N 3.29Å; E503-Q506 PolarHBondContact O-N 3.09Å; E503-K507 WeakPolarHBondContact O-CG 3.44Å; E503-K507 PolarHBondContact O-N 2.74Å
504D84.2Confident83Confident55 Ų5571.8 Ų71.829%0.29438%0.383SS..Hα-helixtrans-68-36178.2-77.7-9.3000111.3F494 R500 G501 Q506 K507 V508F494-D504 VanDerWaalsContact CE1-C 3.41Å; F494-D504 HydrophobicContact CE1-CB 3.63Å; F494-D504 WeakPolarHBondContact CE1-O 3.39Å; F494-D504 HydrophobicContact CZ-CB 3.73Å; R500-D504 HydrophobicContact CB-CB 4.36Å; G501-D504 PolarHBondContact O-N 3.24Å; D504-Q506 VanDerWaalsContact C-N 3.33Å; D504-K507 PolarHBondContact O-N 3.05Å; D504-K507 IonicContact OD1-NZ 3.16Å; D504-K507 PolarHBondContact OD1-NZ 3.3Å; D504-V508 WeakPolarHBondContact O-CG2 3.09Å; D504-V508 PolarHBondContact O-N 3.42Å
505T83.1Confident82.1Confident24 Ų2472.9 Ų72.915%0.14739%0.392CS..Hα-helixtrans-64.1-40.1174.1-56.10000111.1L491 G501 R502 E503 V508 L509L491-T505 HydrophobicContact CD1-CG2 3.85Å; G501-T505 PolarHBondContact O-N 3.12Å; G501-T505 VanDerWaalsContact O-N 3.12Å; G501-T505 PolarHBondContact O-OG1 3.01Å; G501-T505 VanDerWaalsContact O-OG1 3.07Å; R502-T505 PolarHBondContact O-N 3.24Å; E503-T505 VanDerWaalsContact C-N 3.32Å; E503-T505 PolarHBondContact O-N 3.29Å; T505-V508 PolarHBondContact O-N 3.26Å; T505-L509 HydrophobicContact CG2-CD1 4.33Å; T505-L509 VanDerWaalsContact O-CG 3.31Å; T505-L509 WeakPolarHBondContact O-CG 3.42Å; T505-L509 PolarHBondContact O-N 3.47Å
506Q84.1Confident81.2Confident125 Ų12572.7 Ų72.758%0.58440%0.397SS*.Hα-helixtrans-64.4-41.4174.6-76.6177.6-26.200112.1R502 E503 D504 V508 L509 A510R502-Q506 WeakPolarHBondContact O-CG 3.26Å; R502-Q506 PolarHBondContact O-N 2.9Å; E503-Q506 PolarHBondContact O-N 3.09Å; D504-Q506 VanDerWaalsContact C-N 3.33Å; Q506-V508 VanDerWaalsContact C-N 3.32Å; Q506-V508 PolarHBondContact O-N 3.12Å; Q506-L509 PolarHBondContact O-N 2.87Å; Q506-A510 PolarHBondContact O-N 3.37Å
507K85.9Confident80Confident118 Ų11872 Ų7251%0.51341%0.405SS..Hα-helixtrans-59.9-42.3174-67.6170.6-162.3156.60111.8E503 D504 A510 L511E503-K507 WeakPolarHBondContact O-CG 3.44Å; E503-K507 PolarHBondContact O-N 2.74Å; D504-K507 PolarHBondContact O-N 3.05Å; D504-K507 IonicContact OD1-NZ 3.16Å; D504-K507 PolarHBondContact OD1-NZ 3.3Å; K507-A510 WeakPolarHBondContact O-CB 3.49Å; K507-A510 PolarHBondContact O-N 3.05Å; K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 2.98Å
508V87.1Confident79.5Confident17 Ų1771.7 Ų71.710%0.10341%0.406CS..Hα-helixtrans-65-44.6176.3171.40000111.2V490 F494 D504 T505 Q506 A510 L511 L512V490-V508 HydrophobicContact CG1-CG1 4.14Å; F494-V508 HydrophobicContact CD1-CG2 3.89Å; F494-V508 HydrophobicContact CD2-CG2 3.85Å; F494-V508 HydrophobicContact CE1-CG2 3.67Å; F494-V508 HydrophobicContact CE2-CG2 3.6Å; F494-V508 HydrophobicContact CG-CG2 3.95Å; F494-V508 HydrophobicContact CZ-CG2 3.48Å; F494-V508 VanDerWaalsContact CZ-CG2 3.48Å; D504-V508 WeakPolarHBondContact O-CG2 3.09Å; D504-V508 PolarHBondContact O-N 3.42Å; T505-V508 PolarHBondContact O-N 3.26Å; Q506-V508 VanDerWaalsContact C-N 3.32Å; Q506-V508 PolarHBondContact O-N 3.12Å; V508-A510 PolarHBondContact O-N 3.47Å; V508-L511 PolarHBondContact O-N 3.47Å; V508-L511 VanDerWaalsContact O-N 3.15Å; V508-L512 HydrophobicContact CG1-CD1 3.74Å; V508-L512 HydrophobicContact CG1-CG 4.14Å; V508-L512 WeakPolarHBondContact O-CB 3.42Å; V508-L512 VanDerWaalsContact O-CG 3.25Å; V508-L512 WeakPolarHBondContact O-CG 3.3Å; V508-L512 PolarHBondContact O-N 2.92Å
509L86.4Confident79.3Confident15 Ų1573 Ų738%0.07941%0.411CS..Hα-helixtrans-58.5-37175.2-71169.2000111.7L491 T505 Q506 L512 G513 A514 T515 V523 L526L491-L509 HydrophobicContact CD1-CD2 4.1Å; L491-L509 HydrophobicContact CD1-CG 4.43Å; L491-L509 HydrophobicContact CD2-CD2 4.26Å; T505-L509 HydrophobicContact CG2-CD1 4.33Å; T505-L509 VanDerWaalsContact O-CG 3.31Å; T505-L509 WeakPolarHBondContact O-CG 3.42Å; T505-L509 PolarHBondContact O-N 3.47Å; Q506-L509 PolarHBondContact O-N 2.87Å; L509-L512 PolarHBondContact O-N 3.07Å; L509-G513 PolarHBondContact O-N 3.27Å; L509-A514 HydrophobicContact CB-CB 4.42Å; L509-A514 HydrophobicContact CD2-CB 4.11Å; L509-A514 WeakPolarHBondContact O-CB 3.16Å; L509-A514 PolarHBondContact O-N 2.96Å; L509-T515 HydrophobicContact CB-CG2 4.26Å; L509-V523 HydrophobicContact CD1-CG2 3.98Å; L509-V523 HydrophobicContact CD2-CG2 4.41Å; L509-L526 HydrophobicContact CD2-CD1 3.65Å
510A86.3Confident79.6Confident48 Ų4876.6 Ų76.640%0.39741%0.412SS..Hα-helixtrans-65.5-46174.500000112.5Q506 K507 V508 L512 G513 T515Q506-A510 PolarHBondContact O-N 3.37Å; K507-A510 WeakPolarHBondContact O-CB 3.49Å; K507-A510 PolarHBondContact O-N 3.05Å; V508-A510 PolarHBondContact O-N 3.47Å; A510-L512 VanDerWaalsContact C-N 3.3Å; A510-L512 PolarHBondContact O-N 3.34Å; A510-G513 PolarHBondContact O-N 3.46Å; A510-G513 VanDerWaalsContact O-N 3.07Å; A510-T515 VanDerWaalsContact CA-OG1 3.28Å; A510-T515 WeakPolarHBondContact CA-OG1 3.28Å; A510-T515 HydrophobicContact CB-CG2 3.84Å
511L86.4Confident79.9Confident154 Ų15471.3 Ų71.381%0.80639%0.393SS*.Hα-helixtrans-63.3-33.8176.9-70.2172.1000113K507 V508 G513K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 2.98Å; V508-L511 PolarHBondContact O-N 3.47Å; V508-L511 VanDerWaalsContact O-N 3.15Å; L511-G513 PolarHBondContact O-N 2.89Å
512L86.1Confident80.3Confident37 Ų3769.1 Ų69.119%0.19437%0.37CS..THydrogen-bonded Turntrans-76.70177-64.2175.2000113.1K487 V490 V508 L509 A510 A514K487-L512 HydrophobicContact CB-CD1 4.19Å; K487-L512 HydrophobicContact CD-CB 4.29Å; K487-L512 WeakPolarHBondContact CE-O 3.49Å; K487-L512 HydrophobicContact CG-CB 4.21Å; K487-L512 HydrophobicContact CG-CD1 4.49Å; K487-L512 HydrophobicContact CG-CD2 4.17Å; K487-L512 PolarHBondContact NZ-O 3.02Å; V490-L512 HydrophobicContact CB-CD1 4.42Å; V490-L512 HydrophobicContact CB-CD2 4.5Å; V490-L512 HydrophobicContact CG1-CD1 4.23Å; V490-L512 HydrophobicContact CG1-CD2 4.29Å; V508-L512 HydrophobicContact CG1-CD1 3.74Å; V508-L512 HydrophobicContact CG1-CG 4.14Å; V508-L512 WeakPolarHBondContact O-CB 3.42Å; V508-L512 VanDerWaalsContact O-CG 3.25Å; V508-L512 WeakPolarHBondContact O-CG 3.3Å; V508-L512 PolarHBondContact O-N 2.92Å; L509-L512 PolarHBondContact O-N 3.07Å; A510-L512 VanDerWaalsContact C-N 3.3Å; A510-L512 PolarHBondContact O-N 3.34Å; L512-A514 PolarHBondContact O-N 3.26Å
513G81.2Confident80.7Confident44 Ų4459.9 Ų59.945%0.45434%0.338SS..THydrogen-bonded Turntrans64.127.4-17600000112.6L509 A510 L511L509-G513 PolarHBondContact O-N 3.27Å; A510-G513 PolarHBondContact O-N 3.46Å; A510-G513 VanDerWaalsContact O-N 3.07Å; L511-G513 PolarHBondContact O-N 2.89Å
514A77.7Confident81Confident0 Ų057.6 Ų57.60%032%0.324CS..  trans-87.8-13.2174.900000112.2L509 L512 N522 L526L509-A514 HydrophobicContact CB-CB 4.42Å; L509-A514 HydrophobicContact CD2-CB 4.11Å; L509-A514 WeakPolarHBondContact O-CB 3.16Å; L509-A514 PolarHBondContact O-N 2.96Å; L512-A514 PolarHBondContact O-N 3.26Å; A514-N522 HydrophobicContact CB-CB 4.32Å; A514-N522 WeakPolarHBondContact O-CB 3.42Å; A514-N522 PolarHBondContact O-ND2 2.75Å; A514-L526 HydrophobicContact CB-CD1 3.87Å
515T66.8Low81.4Confident54 Ų5455 Ų5533%0.33131%0.31SS..SBendtrans-89.6136.9172.560.50000111.1L509 A510L509-T515 HydrophobicContact CB-CG2 4.26Å; A510-T515 VanDerWaalsContact CA-OG1 3.28Å; A510-T515 WeakPolarHBondContact CA-OG1 3.28Å; A510-T515 HydrophobicContact CB-CG2 3.84Å
516G66.3Low81.8Confident39 Ų3953.9 Ų53.940%0.40230%0.303SS..SBendtrans143.7-159.7-176.400000113.4G518 E519G516-G518 PolarHBondContact O-N 2.75Å; G516-E519 WeakPolarHBondContact O-CB 3.2Å; G516-E519 PolarHBondContact O-N 2.98Å
517P59.6Low82.2Confident113 Ų11354.5 Ų54.573%0.73430%0.304SS*.THydrogen-bonded Turntrans-61.3122.5173.625.8-31.7000109.8
518G68.4Low82.5Confident15 Ų1550.5 Ų50.516%0.15529%0.286CS..THydrogen-bonded Turntrans83.420.6-174.300000114.6G516 E520 D521 N522G516-G518 PolarHBondContact O-N 2.75Å; G518-E520 VanDerWaalsContact C-N 3.3Å; G518-E520 PolarHBondContact O-N 3.19Å; G518-D521 PolarHBondContact O-N 3.48Å; G518-D521 VanDerWaalsContact O-N 3.13Å; G518-N522 VanDerWaalsContact O-CG 3.3Å; G518-N522 PolarHBondContact O-N 3.48Å; G518-N522 PolarHBondContact O-ND2 3.17Å
519E77.8Confident82.9Confident81 Ų8149.7 Ų49.738%0.37928%0.281SS..Hα-helixtrans-51.9-44.6178.1177.4171.617300113.3G516 D521 N522 V523G516-E519 WeakPolarHBondContact O-CB 3.2Å; G516-E519 PolarHBondContact O-N 2.98Å; E519-D521 VanDerWaalsContact C-N 3.28Å; E519-D521 PolarHBondContact O-N 3.11Å; E519-N522 PolarHBondContact O-N 3.43Å; E519-V523 HydrophobicContact CG-CG2 4.39Å; E519-V523 WeakPolarHBondContact O-CG2 3.5Å; E519-V523 PolarHBondContact O-N 3.25Å
520E82.3Confident83.2Confident136 Ų13650.2 Ų50.264%0.63628%0.283SS*.Hα-helixtrans-58.7-43.3179.1-65.1-167-170.700111.9G518 V523 R524G518-E520 VanDerWaalsContact C-N 3.3Å; G518-E520 PolarHBondContact O-N 3.19Å; E520-V523 PolarHBondContact O-N 3.49Å; E520-R524 WeakPolarHBondContact O-CB 3.44Å; E520-R524 WeakPolarHBondContact O-CG 3.4Å; E520-R524 PolarHBondContact O-N 2.87Å; E520-R524 IonicContact OE2-CZ 3.95Å; E520-R524 IonicContact OE2-NH2 3.76Å; E520-R524 PolarHBondContact OE2-NH2 3.49Å
521D85.3Confident83.5Confident13 Ų1352 Ų527%0.0729%0.289CS..Hα-helixtrans-70.8-39.6179.6-84.82.2000112W343 M347 P453 G518 E519 V523 R524 L525W343-D521 PolarHBondContact NE1-OD2 3.16Å; M347-D521 HydrophobicContact CE-CB 3.52Å; M347-D521 VanDerWaalsContact CE-CG 3.5Å; P453-D521 HydrophobicContact CB-CB 4.25Å; G518-D521 PolarHBondContact O-N 3.48Å; G518-D521 VanDerWaalsContact O-N 3.13Å; E519-D521 VanDerWaalsContact C-N 3.28Å; E519-D521 PolarHBondContact O-N 3.11Å; D521-V523 VanDerWaalsContact C-N 3.34Å; D521-V523 PolarHBondContact O-N 2.64Å; D521-R524 PolarHBondContact O-N 3.02Å; D521-R524 IonicContact OD1-NH1 2.93Å; D521-R524 PolarHBondContact OD1-NH1 3.04Å; D521-L525 VanDerWaalsContact O-CB 3.28Å; D521-L525 WeakPolarHBondContact O-CB 3.31Å; D521-L525 PolarHBondContact O-N 2.78Å
522N88.6Confident83.7Confident1 Ų144.7 Ų44.71%0.00525%0.252CS..Hα-helixtrans-61.1-44174.2-67.4-29.1000111.1P453 T454 W484 A514 G518 E519 L525 L526P453-N522 VanDerWaalsContact CA-OD1 3.25Å; P453-N522 WeakPolarHBondContact CA-OD1 3.25Å; P453-N522 WeakPolarHBondContact CB-OD1 3.36Å; T454-N522 PolarHBondContact N-OD1 3.34Å; T454-N522 PolarHBondContact OG1-ND2 3.38Å; W484-N522 HydrophobicContact CH2-CB 3.96Å; W484-N522 VanDerWaalsContact CH2-OD1 3.3Å; W484-N522 WeakPolarHBondContact CH2-OD1 3.39Å; W484-N522 HydrophobicContact CZ3-CB 4.24Å; A514-N522 HydrophobicContact CB-CB 4.32Å; A514-N522 WeakPolarHBondContact O-CB 3.42Å; A514-N522 PolarHBondContact O-ND2 2.75Å; G518-N522 VanDerWaalsContact O-CG 3.3Å; G518-N522 PolarHBondContact O-N 3.48Å; G518-N522 PolarHBondContact O-ND2 3.17Å; E519-N522 PolarHBondContact O-N 3.43Å; N522-L525 PolarHBondContact O-N 2.93Å; N522-L526 VanDerWaalsContact O-CG 3.25Å; N522-L526 WeakPolarHBondContact O-CG 3.32Å; N522-L526 PolarHBondContact O-N 2.92Å
523V88.5Confident84Confident28 Ų2843.2 Ų43.217%0.1724%0.244CC..Hα-helixtrans-68.8-40.1178.61740000111.4L509 E519 E520 D521 L526 K527L509-V523 HydrophobicContact CD1-CG2 3.98Å; L509-V523 HydrophobicContact CD2-CG2 4.41Å; E519-V523 HydrophobicContact CG-CG2 4.39Å; E519-V523 WeakPolarHBondContact O-CG2 3.5Å; E519-V523 PolarHBondContact O-N 3.25Å; E520-V523 PolarHBondContact O-N 3.49Å; D521-V523 VanDerWaalsContact C-N 3.34Å; D521-V523 PolarHBondContact O-N 2.64Å; V523-L526 PolarHBondContact O-N 3.3Å; V523-K527 HydrophobicContact CG1-CD 4.24Å; V523-K527 WeakPolarHBondContact O-CG 3.25Å; V523-K527 PolarHBondContact O-N 3.04Å
524R88.9Confident84.5Confident93 Ų9341.1 Ų41.135%0.35122%0.222SC..Hα-helixtrans-60.8-46.6174.2-74.6170.9-166.1171.14.6111.1M347 E520 D521 K527 Y528M347-R524 HydrophobicContact SD-CB 3.99Å; E520-R524 WeakPolarHBondContact O-CB 3.44Å; E520-R524 WeakPolarHBondContact O-CG 3.4Å; E520-R524 PolarHBondContact O-N 2.87Å; E520-R524 IonicContact OE2-CZ 3.95Å; E520-R524 IonicContact OE2-NH2 3.76Å; E520-R524 PolarHBondContact OE2-NH2 3.49Å; D521-R524 PolarHBondContact O-N 3.02Å; D521-R524 IonicContact OD1-NH1 2.93Å; D521-R524 PolarHBondContact OD1-NH1 3.04Å; R524-K527 PolarHBondContact O-N 2.82Å; R524-Y528 PolarHBondContact O-N 3.36Å
525L92.3Very high85Confident0 Ų047.4 Ų47.40%025%0.25CC..Hα-helixtrans-60-48.4177.3-175.1154.9000111.4L346 M347 P453 W484 D521 N522 K527 Y528 W529L346-L525 HydrophobicContact CB-CD1 4.1Å; M347-L525 HydrophobicContact SD-CB 4.3Å; P453-L525 HydrophobicContact CB-CD1 3.93Å; P453-L525 HydrophobicContact CG-CD1 3.92Å; W484-L525 HydrophobicContact CD2-CD2 4.29Å; W484-L525 HydrophobicContact CE3-CD2 3.48Å; W484-L525 VanDerWaalsContact CE3-CD2 3.48Å; W484-L525 HydrophobicContact CZ3-CD2 3.91Å; D521-L525 VanDerWaalsContact O-CB 3.28Å; D521-L525 WeakPolarHBondContact O-CB 3.31Å; D521-L525 PolarHBondContact O-N 2.78Å; N522-L525 PolarHBondContact O-N 2.93Å; L525-K527 VanDerWaalsContact C-N 3.3Å; L525-K527 PolarHBondContact O-N 3.42Å; L525-Y528 PolarHBondContact O-N 3.23Å; L525-W529 HydrophobicContact CD2-CD2 3.77Å; L525-W529 HydrophobicContact CD2-CE3 4.25Å; L525-W529 HydrophobicContact CD2-CG 3.98Å; L525-W529 HydrophobicContact CD2-CZ2 4.35Å; L525-W529 HydrophobicContact CG-CD2 4.46Å; L525-W529 HydrophobicContact CG-CG 4.48Å; L525-W529 WeakPolarHBondContact O-CB 3.47Å; L525-W529 PolarHBondContact O-N 2.92Å
526L92.4Very high86Confident0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-59.9-40178.1-71.3172.4000112.4W484 K487 V488 L491 L509 A514 N522 V523 M530W484-L526 HydrophobicContact CE3-CD2 3.81Å; W484-L526 HydrophobicContact CE3-CG 4.28Å; W484-L526 HydrophobicContact CZ3-CD2 4.1Å; W484-L526 HydrophobicContact CZ3-CG 4.08Å; K487-L526 HydrophobicContact CB-CD2 3.82Å; V488-L526 HydrophobicContact CG2-CD2 3.61Å; L491-L526 HydrophobicContact CD2-CB 3.85Å; L491-L526 HydrophobicContact CD2-CD1 4.29Å; L509-L526 HydrophobicContact CD2-CD1 3.65Å; A514-L526 HydrophobicContact CB-CD1 3.87Å; N522-L526 VanDerWaalsContact O-CG 3.25Å; N522-L526 WeakPolarHBondContact O-CG 3.32Å; N522-L526 PolarHBondContact O-N 2.92Å; V523-L526 PolarHBondContact O-N 3.3Å; L526-M530 PolarHBondContact O-N 3.28Å; L526-M530 VanDerWaalsContact O-N 3.14Å
527K90.9Very high87Confident138 Ų13849.6 Ų49.660%0.625%0.25SC*.Hα-helixtrans-66.1-42.5176.5-75.5174.7179.9175.80111.9V523 R524 L525 M530V523-K527 HydrophobicContact CG1-CD 4.24Å; V523-K527 WeakPolarHBondContact O-CG 3.25Å; V523-K527 PolarHBondContact O-N 3.04Å; R524-K527 PolarHBondContact O-N 2.82Å; L525-K527 VanDerWaalsContact C-N 3.3Å; L525-K527 PolarHBondContact O-N 3.42Å; K527-M530 WeakPolarHBondContact O-CB 3.39Å
528Y93.8Very high88.4Confident34 Ų3446.8 Ų46.813%0.13323%0.226CC..Hα-helixtrans-65.9-48.5177173.4-119.1000111.2L346 G348 L372 C376 N393 R524 L525 M530 T531L346-Y528 WeakPolarHBondContact O-CD1 3.26Å; G348-Y528 WeakPolarHBondContact CA-OH 3.37Å; L372-Y528 HydrophobicContact CD2-CE1 4.3Å; C376-Y528 HydrophobicContact CB-CE1 4.18Å; C376-Y528 PolarHBondContact O-OH 3.4Å; N393-Y528 PolarHBondContact ND2-OH 3.4Å; N393-Y528 VanDerWaalsContact ND2-OH 3.17Å; R524-Y528 PolarHBondContact O-N 3.36Å; L525-Y528 PolarHBondContact O-N 3.23Å; Y528-M530 PolarHBondContact O-N 3.32Å; Y528-M530 VanDerWaalsContact O-N 3.16Å; Y528-T531 VanDerWaalsContact O-CB 3.31Å; Y528-T531 WeakPolarHBondContact O-CB 3.49Å; Y528-T531 WeakPolarHBondContact O-CG2 3.32Å; Y528-T531 PolarHBondContact O-N 3.13Å; Y528-T531 PolarHBondContact O-OG1 3.44Å
529W95.4Very high89.3Confident0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-65.4-21.4-178.2-75.230000113.4L346 L372 P373 L455 K481 W484 M485 V488 L525 T531 G532L346-W529 HydrophobicContact CD2-CZ2 3.8Å; L346-W529 PolarHBondContact O-NE1 3.35Å; L372-W529 HydrophobicContact CD2-CZ2 4.19Å; P373-W529 HydrophobicContact CG-CD2 3.81Å; P373-W529 HydrophobicContact CG-CE3 3.63Å; P373-W529 HydrophobicContact CG-CG 4.38Å; P373-W529 HydrophobicContact CG-CH2 4.28Å; P373-W529 HydrophobicContact CG-CZ2 4.45Å; P373-W529 HydrophobicContact CG-CZ3 3.88Å; L455-W529 HydrophobicContact CD1-CH2 3.68Å; L455-W529 HydrophobicContact CD1-CZ2 4.34Å; L455-W529 HydrophobicContact CD1-CZ3 4.33Å; K481-W529 HydrophobicContact CG-CH2 4.16Å; W484-W529 HydrophobicContact CB-CE3 4.05Å; W484-W529 HydrophobicContact CB-CH2 4.37Å; W484-W529 HydrophobicContact CB-CZ3 3.6Å; M485-W529 HydrophobicContact CG-CE3 4Å; M485-W529 HydrophobicContact CG-CZ3 4.13Å; M485-W529 HydrophobicContact SD-CB 4.28Å; M485-W529 HydrophobicContact SD-CD2 4.38Å; M485-W529 HydrophobicContact SD-CE3 3.63Å; M485-W529 HydrophobicContact SD-CZ3 4.33Å; V488-W529 HydrophobicContact CG2-CB 3.66Å; L525-W529 HydrophobicContact CD2-CD2 3.77Å; L525-W529 HydrophobicContact CD2-CE3 4.25Å; L525-W529 HydrophobicContact CD2-CG 3.98Å; L525-W529 HydrophobicContact CD2-CZ2 4.35Å; L525-W529 HydrophobicContact CG-CD2 4.46Å; L525-W529 HydrophobicContact CG-CG 4.48Å; L525-W529 WeakPolarHBondContact O-CB 3.47Å; L525-W529 PolarHBondContact O-N 2.92Å; W529-T531 PolarHBondContact O-N 3.35Å; W529-G532 PolarHBondContact O-N 2.93Å
530M93.3Very high89.7Confident26 Ų2651.4 Ų51.413%0.12825%0.251CS..G310 helixtrans-58-26.3170.1-164.8177.9-67.800112.9V488 L491 F492 K496 L526 K527 Y528 G532 L533 K538V488-M530 VanDerWaalsContact CG1-CA 3.45Å; V488-M530 HydrophobicContact CG1-CB 4.01Å; V488-M530 HydrophobicContact CG1-CG 4.43Å; L491-M530 HydrophobicContact CB-CE 4.32Å; L491-M530 HydrophobicContact CD2-CE 3.84Å; L491-M530 HydrophobicContact CG-CE 3.82Å; F492-M530 HydrophobicContact CB-CE 4.28Å; F492-M530 HydrophobicContact CB-CG 4.22Å; F492-M530 HydrophobicContact CB-SD 4.37Å; F492-M530 HydrophobicContact CD2-CG 3.76Å; F492-M530 HydrophobicContact CD2-SD 3.8Å; F492-M530 HydrophobicContact CG-CG 4.41Å; K496-M530 HydrophobicContact CG-SD 4.18Å; L526-M530 PolarHBondContact O-N 3.28Å; L526-M530 VanDerWaalsContact O-N 3.14Å; K527-M530 WeakPolarHBondContact O-CB 3.39Å; Y528-M530 PolarHBondContact O-N 3.32Å; Y528-M530 VanDerWaalsContact O-N 3.16Å; M530-G532 VanDerWaalsContact C-N 3.32Å; M530-L533 HydrophobicContact CG-CD1 4.19Å; M530-K538 PolarHBondContact O-NZ 2.95Å
531T91.4Very high89.9Confident85 Ų8545.9 Ų45.952%0.52123%0.226SC..G310 helixtrans-66.4-35.6175.2660000111.8Y528 W529 L533 K538Y528-T531 VanDerWaalsContact O-CB 3.31Å; Y528-T531 WeakPolarHBondContact O-CB 3.49Å; Y528-T531 WeakPolarHBondContact O-CG2 3.32Å; Y528-T531 PolarHBondContact O-N 3.13Å; Y528-T531 PolarHBondContact O-OG1 3.44Å; W529-T531 PolarHBondContact O-N 3.35Å; T531-L533 VanDerWaalsContact C-N 3.33Å; T531-L533 PolarHBondContact O-N 3.05Å; T531-K538 PolarHBondContact O-NZ 3.35Å; T531-K538 VanDerWaalsContact O-NZ 3.07Å
532G90.1Very high89.8Confident2 Ų248.4 Ų48.42%0.02124%0.238CC..G310 helixtrans-82.11.8-177.600000116.3W529 M530W529-G532 PolarHBondContact O-N 2.93Å; M530-G532 VanDerWaalsContact C-N 3.32Å
533L92.9Very high89.6Confident5 Ų552.2 Ų52.23%0.02626%0.261CS..SBendtrans-64.3139.8170.3-76.7176.3000111.3E268 M485 V488 K489 F492 M530 T531 Y537 K538E268-L533 HydrophobicContact CG-CD2 4.31Å; E268-L533 WeakPolarHBondContact OE2-CD2 3.49Å; M485-L533 HydrophobicContact CE-CD2 3.85Å; M485-L533 HydrophobicContact CE-CG 4.47Å; V488-L533 HydrophobicContact CG1-CD1 3.96Å; V488-L533 HydrophobicContact CG1-CD2 4.22Å; V488-L533 HydrophobicContact CG1-CG 3.95Å; K489-L533 HydrophobicContact CG-CD2 3.74Å; F492-L533 HydrophobicContact CB-CD1 3.62Å; F492-L533 HydrophobicContact CD1-CD1 4.06Å; F492-L533 HydrophobicContact CD2-CD1 4.07Å; F492-L533 HydrophobicContact CG-CD1 3.64Å; M530-L533 HydrophobicContact CG-CD1 4.19Å; T531-L533 VanDerWaalsContact C-N 3.33Å; T531-L533 PolarHBondContact O-N 3.05Å; L533-Y537 HydrophobicContact CD1-CE1 4.48Å; L533-Y537 HydrophobicContact CD2-CD1 4.23Å; L533-Y537 HydrophobicContact CD2-CE1 4.27Å; L533-K538 HydrophobicContact CB-CD 4.42Å; L533-K538 HydrophobicContact CB-CG 4.3Å; L533-K538 WeakPolarHBondContact O-CE 3.37Å; L533-K538 PolarHBondContact O-NZ 2.93Å
534S91.6Very high89Confident1 Ų153.6 Ų53.61%0.00728%0.276CS..  trans-56.9145.6-179.2135.40000112.8E268 E275 T536 Y537 K538E268-S534 PolarHBondContact OE2-N 3.07Å; E275-S534 WeakPolarHBondContact OE1-CB 3.25Å; E275-S534 PolarHBondContact OE1-OG 3.28Å; S534-T536 PolarHBondContact OG-N 3.38Å; S534-Y537 PolarHBondContact O-N 2.93Å; S534-Y537 PolarHBondContact OG-N 3.47Å; S534-K538 VanDerWaalsContact O-CG 3.31Å; S534-K538 WeakPolarHBondContact O-CG 3.41Å; S534-K538 PolarHBondContact O-N 3.45Å
535K88.6Confident87.9Confident132 Ų13251.5 Ų51.557%0.57427%0.273SS*.Hα-helixtrans-65.7-42.3177.3-67.8177.1-173.9166.80110.7E275 E279 K538 S539E275-K535 PolarHBondContact OE1-N 2.9Å; E275-K535 VanDerWaalsContact OE1-N 3.13Å; E275-K535 PolarHBondContact OE2-N 3.15Å; E279-K535 IonicContact OE1-NZ 2.88Å; E279-K535 PolarHBondContact OE1-NZ 3.14Å; E279-K535 IonicContact OE2-NZ 2.72Å; K535-K538 PolarHBondContact O-N 2.97Å; K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.29Å
536T87.1Confident86.2Confident87 Ų8760.4 Ų60.453%0.53431%0.307SS..Hα-helixtrans-59.8-47.6176.3-52.80000110.7E275 S534 S539 H540E275-T536 WeakPolarHBondContact OE1-CA 3.4Å; E275-T536 WeakPolarHBondContact OE1-CB 3.42Å; E275-T536 PolarHBondContact OE1-N 3.07Å; E275-T536 PolarHBondContact OE1-OG1 2.98Å; S534-T536 PolarHBondContact OG-N 3.38Å; T536-S539 PolarHBondContact O-N 3.27Å; T536-H540 VanDerWaalsContact O-CB 3.28Å; T536-H540 WeakPolarHBondContact O-CB 3.33Å; T536-H540 PolarHBondContact O-N 2.94Å
537Y88Confident84.2Confident51 Ų5163.4 Ų63.420%0.234%0.337CS..Hα-helixtrans-60.2-48.3176.9177.5-100.1000111.9K489 F492 L533 S534 S539 H540 L541K489-Y537 HydrophobicContact CB-CE1 4.44Å; K489-Y537 HydrophobicContact CG-CE1 4Å; F492-Y537 HydrophobicContact CD1-CE1 4.38Å; L533-Y537 HydrophobicContact CD1-CE1 4.48Å; L533-Y537 HydrophobicContact CD2-CD1 4.23Å; L533-Y537 HydrophobicContact CD2-CE1 4.27Å; S534-Y537 PolarHBondContact O-N 2.93Å; S534-Y537 PolarHBondContact OG-N 3.47Å; Y537-S539 PolarHBondContact O-N 3.43Å; Y537-H540 PolarHBondContact O-N 3.26Å; Y537-L541 HydrophobicContact CE1-CD2 4.28Å; Y537-L541 WeakPolarHBondContact O-CB 3.31Å; Y537-L541 PolarHBondContact O-N 3.28Å
538K88.3Confident82.1Confident54 Ų5459.7 Ų59.724%0.23534%0.339CS..Hα-helixtrans-59.1-48.5177.3-74.5171.6174.3144.20111.7F492 M530 T531 L533 S534 K535 L541 M542F492-K538 HydrophobicContact CE1-CB 4.36Å; F492-K538 HydrophobicContact CE1-CG 3.98Å; F492-K538 HydrophobicContact CE2-CG 4.29Å; F492-K538 HydrophobicContact CZ-CB 4.14Å; F492-K538 HydrophobicContact CZ-CD 4.47Å; F492-K538 HydrophobicContact CZ-CG 3.7Å; M530-K538 PolarHBondContact O-NZ 2.95Å; T531-K538 PolarHBondContact O-NZ 3.35Å; T531-K538 VanDerWaalsContact O-NZ 3.07Å; L533-K538 HydrophobicContact CB-CD 4.42Å; L533-K538 HydrophobicContact CB-CG 4.3Å; L533-K538 WeakPolarHBondContact O-CE 3.37Å; L533-K538 PolarHBondContact O-NZ 2.93Å; S534-K538 VanDerWaalsContact O-CG 3.31Å; S534-K538 WeakPolarHBondContact O-CG 3.41Å; S534-K538 PolarHBondContact O-N 3.45Å; K535-K538 PolarHBondContact O-N 2.97Å; K538-L541 PolarHBondContact O-N 3.28Å; K538-M542 WeakPolarHBondContact O-CB 3.46Å; K538-M542 WeakPolarHBondContact O-CG 3.36Å; K538-M542 PolarHBondContact O-N 3.48Å
539S87.4Confident79.7Confident71 Ų7165.9 Ų65.950%0.49737%0.369SS..Hα-helixtrans-60.1-52.3-179.6-174.50000110.8K535 T536 Y537 L541 M542 T543K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.29Å; T536-S539 PolarHBondContact O-N 3.27Å; Y537-S539 PolarHBondContact O-N 3.43Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.34Å; S539-M542 PolarHBondContact O-N 3.02Å; S539-M542 VanDerWaalsContact O-N 3.15Å; S539-T543 WeakPolarHBondContact O-CG2 3.47Å; S539-T543 PolarHBondContact O-N 3.31Å; S539-T543 PolarHBondContact O-OG1 2.99Å
540H87.6Confident77.2Confident122 Ų12276.8 Ų76.857%0.56541%0.41SS*.Hα-helixtrans-54.7-44.9178.8177.4-94.2000112.1T536 Y537 T543 A544T536-H540 VanDerWaalsContact O-CB 3.28Å; T536-H540 WeakPolarHBondContact O-CB 3.33Å; T536-H540 PolarHBondContact O-N 2.94Å; Y537-H540 PolarHBondContact O-N 3.26Å; H540-T543 WeakPolarHBondContact CA-OG1 3.28Å; H540-T543 PolarHBondContact O-N 3.36Å; H540-T543 PolarHBondContact O-OG1 3.38Å; H540-A544 VanDerWaalsContact O-CB 3.24Å; H540-A544 WeakPolarHBondContact O-CB 3.4Å; H540-A544 PolarHBondContact O-N 3.03Å
541L85.9Confident74.5Confident21 Ų2181 Ų8111%0.1144%0.442CS..Hα-helixtrans-69.4-37.8-178.5-160.367.9000112.6F492 K493 V497 Y537 K538 S539F492-L541 HydrophobicContact CD1-CD2 3.8Å; F492-L541 HydrophobicContact CE1-CD2 3.99Å; K493-L541 HydrophobicContact CB-CD2 3.86Å; K493-L541 HydrophobicContact CD-CD1 4.38Å; K493-L541 HydrophobicContact CG-CD2 4.21Å; V497-L541 HydrophobicContact CG1-CG 4.49Å; V497-L541 HydrophobicContact CG2-CD2 3.71Å; V497-L541 HydrophobicContact CG2-CG 3.93Å; Y537-L541 HydrophobicContact CE1-CD2 4.28Å; Y537-L541 WeakPolarHBondContact O-CB 3.31Å; Y537-L541 PolarHBondContact O-N 3.28Å; K538-L541 PolarHBondContact O-N 3.28Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.34Å
542M83.9Confident72.3Confident65 Ų6581.9 Ų81.932%0.3245%0.449SS..Hα-helixtrans-69.3-36.3175.9-68.5-66.8-74.300112.1V497 K538 S539 R546V497-M542 HydrophobicContact CB-SD 4.3Å; V497-M542 HydrophobicContact CG1-SD 4.26Å; V497-M542 HydrophobicContact CG2-SD 3.77Å; K538-M542 WeakPolarHBondContact O-CB 3.46Å; K538-M542 WeakPolarHBondContact O-CG 3.36Å; K538-M542 PolarHBondContact O-N 3.48Å; S539-M542 PolarHBondContact O-N 3.02Å; S539-M542 VanDerWaalsContact O-N 3.15Å; M542-R546 WeakPolarHBondContact O-CG 3.35Å; M542-R546 PolarHBondContact O-N 3.12Å
543T83.6Confident69.8Low81 Ų8187.3 Ų87.350%0.49749%0.487SS..Hα-helixtrans-73.9-38.1176.551.30000112.5S539 H540 V545 R546 G547S539-T543 WeakPolarHBondContact O-CG2 3.47Å; S539-T543 PolarHBondContact O-N 3.31Å; S539-T543 PolarHBondContact O-OG1 2.99Å; H540-T543 WeakPolarHBondContact CA-OG1 3.28Å; H540-T543 PolarHBondContact O-N 3.36Å; H540-T543 PolarHBondContact O-OG1 3.38Å; T543-V545 VanDerWaalsContact C-N 3.3Å; T543-V545 PolarHBondContact O-N 2.9Å; T543-R546 PolarHBondContact O-N 3.21Å; T543-G547 PolarHBondContact O-N 3.04Å
544A76.5Confident67.1Low57 Ų57100.2 Ų100.247%0.47155%0.547SS..Hα-helixtrans-62.5-35.9-177.900000112.7H540H540-A544 VanDerWaalsContact O-CB 3.24Å; H540-A544 WeakPolarHBondContact O-CB 3.4Å; H540-A544 PolarHBondContact O-N 3.03Å
545V64.3Low65.8Low50 Ų50105.2 Ų105.230%0.30357%0.574SS.*Hα-helixtrans-79.5-39.6178176.20000111.7V497 T543 G547 G548V497-V545 HydrophobicContact CG1-CB 3.74Å; V497-V545 HydrophobicContact CG1-CG1 4.25Å; V497-V545 HydrophobicContact CG1-CG2 3.41Å; V497-V545 VanDerWaalsContact CG1-CG2 3.41Å; T543-V545 VanDerWaalsContact C-N 3.3Å; T543-V545 PolarHBondContact O-N 2.9Å; V545-G547 VanDerWaalsContact C-N 3.3Å; V545-G547 PolarHBondContact O-N 2.93Å; V545-G548 PolarHBondContact O-N 3.17Å
546R57.3Low64.6Low187 Ų187103.8 Ų103.871%0.70657%0.574SS**Hα-helixtrans-69.2-26.3176.7-70.6-178.7178.2-152.4-0.9113.5M542 T543 G548M542-R546 WeakPolarHBondContact O-CG 3.35Å; M542-R546 PolarHBondContact O-N 3.12Å; T543-R546 PolarHBondContact O-N 3.21Å; R546-G548 VanDerWaalsContact C-N 3.31Å
547G49.6Very low63.4Low62 Ų62104.7 Ų104.764%0.63958%0.576SS**G310 helixtrans-73.4-20173.600000114.1T543 V545T543-G547 PolarHBondContact O-N 3.04Å; V545-G547 VanDerWaalsContact C-N 3.3Å; V545-G547 PolarHBondContact O-N 2.93Å
548G46.8Very low61.9Low61 Ų61107.9 Ų107.963%0.62960%0.599SS**G310 helixtrans-82-14.4178.500000114.8V545 R546V545-G548 PolarHBondContact O-N 3.17Å; R546-G548 VanDerWaalsContact C-N 3.31Å
549E43.4Very low60.3Low164 Ų164111.3 Ų111.377%0.76662%0.621SS**G310 helixtrans-97.329.5-179.6-71.3-171.114900113.7
550R43.9Very low58.5Low229 Ų229113.9 Ų113.986%0.86463%0.63SS**  trans-118.474.3163.8-80.3-170.3177178.10.4111.9
551S37.2Very low56.4Low113 Ų113113.4 Ų113.479%0.7963%0.634SS**  trans-149.781.9139.459.70000110.9
552P45Very low54.1Low104 Ų104120.5 Ų120.568%0.67568%0.675SS**  trans-87.3130.3144.932-21.7000108.4
553S37.5Very low51.7Low117 Ų117125.1 Ų125.182%0.81870%0.704SS**  trans65.3101.9170.859.20000118.4
554Q34.7Very low48.8Very low276 Ų276129.1 Ų129.1100%1.2972%0.723SS**  -149.90110.6-101.2-17715.500110

Retrieved 554 of 554 residues in 230.7 ms (Link to these results)

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