A0A096LUC5_POEFO Loading...

Cytidine monophosphate N-acetylneuraminic acid synthetase

AlphaFold DB , UniProt , Accession A0A096LUC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 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
1H97.9Very high95Very high64 Ų6419.2 Ų19.230%0.29612%0.116SC..  0124.70-172.998.4000110.2N43 S44 E92 D94 V95H1-N43 WeakPolarHBondContact CA-OD1 3.48Å; H1-N43 WeakPolarHBondContact CE1-CB 3.4Å; H1-N43 VanDerWaalsContact ND1-CB 3.34Å; H1-N43 WeakPolarHBondContact ND1-CB 3.37Å; H1-S44 PolarHBondContact CE1-OG 2.86Å; H1-S44 PolarHBondContact NE2-OG 3.14Å; H1-E92 WeakPolarHBondContact CB-O 3.23Å; H1-D94 PolarHBondContact N-OD2 3.13Å; H1-D94 PolarHBondContact O-N 3.36Å; H1-V95 PolarHBondContact O-N 3.29Å
2V98.4Very high92.9Very high14 Ų1419.5 Ų19.59%0.08512%0.119CC..EExtended strand (participates in β ladder)trans-107.5124177.4-174.20000109.9F42 N43 V95 L115 M119V2-F42 HydrophobicContact CG1-CD1 3.93Å; V2-F42 HydrophobicContact CG1-CE1 4.15Å; V2-N43 PolarHBondContact N-OD1 2.84Å; V2-N43 PolarHBondContact O-N 2.86Å; V2-V95 WeakPolarHBondContact CA-O 3.22Å; V2-V95 HydrophobicContact CB-CB 4.48Å; V2-V95 HydrophobicContact CG1-CB 4.25Å; V2-V95 HydrophobicContact CG1-CG1 4.17Å; V2-V95 HydrophobicContact CG2-CB 4.09Å; V2-L115 HydrophobicContact CG1-CD2 3.71Å; V2-M119 HydrophobicContact CB-CE 4.23Å; V2-M119 HydrophobicContact CG1-CE 4.3Å; V2-M119 HydrophobicContact CG2-CE 3.6Å
3A98.8Very high90.9Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-113131.5179.700000111.7S44 F86 V93 V95 V96 C97A3-S44 CarbonylContact C-O 3.57Å; A3-S44 VanDerWaalsContact CA-O 3.3Å; A3-S44 WeakPolarHBondContact CA-O 3.38Å; A3-F86 HydrophobicContact CB-CZ 4.47Å; A3-V93 HydrophobicContact CB-CB 4.5Å; A3-V93 HydrophobicContact CB-CG1 3.65Å; A3-V93 HydrophobicContact CB-CG2 3.97Å; A3-V95 PolarHBondContact N-O 3Å; A3-V96 WeakPolarHBondContact O-CA 3.2Å; A3-C97 PolarHBondContact O-N 2.87Å
4A98.9Very high89.6Confident0 Ų033.5 Ų33.50%021%0.213CC..EExtended strand (participates in β ladder)trans-80136.716100000108.9A36 F42 S44 I45 W46 C97 I99A4-A36 HydrophobicContact CB-CB 4.08Å; A4-F42 HydrophobicContact CB-CB 4.46Å; A4-F42 HydrophobicContact CB-CD1 3.63Å; A4-F42 HydrophobicContact CB-CD2 3.87Å; A4-F42 HydrophobicContact CB-CE1 3.71Å; A4-F42 HydrophobicContact CB-CE2 3.94Å; A4-F42 HydrophobicContact CB-CG 3.7Å; A4-F42 HydrophobicContact CB-CZ 3.85Å; A4-F42 VanDerWaalsContact N-CD1 3.26Å; A4-S44 PolarHBondContact N-O 3.22Å; A4-I45 HydrophobicContact CB-CB 4.39Å; A4-I45 HydrophobicContact CB-CG1 4.14Å; A4-I45 HydrophobicContact CB-CG2 4.18Å; A4-W46 PolarHBondContact O-N 3.21Å; A4-C97 CarbonylContact C-O 3.59Å; A4-C97 WeakPolarHBondContact CA-O 3.42Å; A4-I99 HydrophobicContact CB-CD1 4.12Å
5L98.9Very high88.7Confident0 Ų032.9 Ų32.90%021%0.207CC..EExtended strand (participates in β ladder)trans-136120.6-178.9179.863.4000110.7L7 W46 I83 F86 V96 C97 H98 I99L5-L7 HydrophobicContact CD1-CD2 4.33Å; L5-L7 HydrophobicContact CD2-CD2 3.99Å; L5-L7 HydrophobicContact CG-CD2 3.96Å; L5-W46 WeakPolarHBondContact CA-O 3.34Å; L5-W46 HydrophobicContact CD1-CB 3.81Å; L5-I83 HydrophobicContact CD2-CB 4.39Å; L5-I83 HydrophobicContact CD2-CG1 3.84Å; L5-I83 HydrophobicContact CD2-CG2 4.32Å; L5-F86 HydrophobicContact CD1-CD1 4.33Å; L5-F86 HydrophobicContact CD1-CD2 4.06Å; L5-F86 HydrophobicContact CD1-CE1 4.49Å; L5-F86 HydrophobicContact CD1-CE2 4.25Å; L5-F86 HydrophobicContact CD1-CG 4.1Å; L5-F86 HydrophobicContact CD1-CZ 4.45Å; L5-F86 HydrophobicContact CD2-CB 4.19Å; L5-F86 HydrophobicContact CD2-CD1 3.63Å; L5-F86 HydrophobicContact CD2-CE1 4.18Å; L5-F86 HydrophobicContact CD2-CG 3.9Å; L5-V96 HydrophobicContact CB-CG1 3.85Å; L5-V96 HydrophobicContact CD2-CG1 3.92Å; L5-C97 PolarHBondContact N-O 3.31Å; L5-H98 CarbonylContact O-C 3.5Å; L5-H98 VanDerWaalsContact O-CA 3.3Å; L5-H98 WeakPolarHBondContact O-CA 3.49Å; L5-I99 PolarHBondContact O-N 2.83Å
6V98.6Very high88.3Confident1 Ų140.9 Ų40.91%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-107122.2172.2-178.10000109V32 L33 W46 V47 S48 I99 A101V6-V32 HydrophobicContact CG1-CG2 4.33Å; V6-V32 HydrophobicContact CG2-CG2 3.93Å; V6-L33 HydrophobicContact CG2-CD2 4.05Å; V6-W46 PolarHBondContact N-O 3.05Å; V6-V47 HydrophobicContact CB-CG2 4.38Å; V6-V47 CarbonylContact O-C 3.59Å; V6-V47 WeakPolarHBondContact O-CA 3.22Å; V6-S48 PolarHBondContact O-N 3Å; V6-I99 HydrophobicContact CG2-CB 4.24Å; V6-A101 HydrophobicContact CG1-CB 4.12Å
7L97.5Very high88.1Confident28 Ų2840.6 Ų40.615%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-87.6112.6174.1-54.8-175.2000109.6L5 T82 I83 H98L5-L7 HydrophobicContact CD1-CD2 4.33Å; L5-L7 HydrophobicContact CD2-CD2 3.99Å; L5-L7 HydrophobicContact CG-CD2 3.96Å; L7-T82 HydrophobicContact CD1-CG2 4.16Å; L7-T82 HydrophobicContact CD2-CG2 3.65Å; L7-T82 HydrophobicContact CG-CG2 4.43Å; L7-I83 HydrophobicContact CD1-CD1 4.43Å; L7-I83 HydrophobicContact CD1-CG1 4.16Å; L7-I83 HydrophobicContact CD2-CG1 4.39Å; L7-H98 WeakPolarHBondContact CD1-NE2 2.97Å; L7-H98 WeakPolarHBondContact CG-NE2 3Å
8A95.5Very high88.1Confident0 Ų041.5 Ų41.50%024%0.236CC..  trans-127.586-173.400000111.8N19 V47 S48 T49 I54A8-N19 WeakPolarHBondContact CA-ND2 3.48Å; A8-N19 HydrophobicContact CB-CB 4.08Å; A8-V47 HydrophobicContact CB-CG1 3.8Å; A8-S48 PolarHBondContact N-O 3.47Å; A8-T49 VanDerWaalsContact O-CB 3.24Å; A8-T49 WeakPolarHBondContact O-CB 2.97Å; A8-T49 PolarHBondContact O-OG1 3.4Å; A8-I54 HydrophobicContact CB-CD1 4.44Å; A8-I54 HydrophobicContact CB-CG2 3.64Å; A8-I54 WeakPolarHBondContact O-CD1 3.3Å
9R92.8Very high88.3Confident51 Ų5139.9 Ų39.919%0.19223%0.226CC..  trans-68.1138.8172.6179.8156.171-144.60.7112.9G11 S12 N19 R68 S73 K74 D75R9-G11 WeakPolarHBondContact CD-O 3.43Å; R9-G11 VanDerWaalsContact CG-N 3.31Å; R9-G11 PolarHBondContact NE-O 3.13Å; R9-S12 PolarHBondContact O-OG 3.48Å; R9-N19 PolarHBondContact O-ND2 3.41Å; R9-R68 VanDerWaalsContact CA-NH2 3.33Å; R9-S73 WeakPolarHBondContact CD-O 3.48Å; R9-S73 PolarHBondContact NH1-O 3.42Å; R9-K74 PolarHBondContact NH1-O 3.19Å; R9-D75 IonicContact CZ-OD1 3.5Å; R9-D75 IonicContact NE-OD1 3.76Å; R9-D75 IonicContact NH1-OD1 3.39Å; R9-D75 IonicContact NH2-OD1 2.76Å; R9-D75 PolarHBondContact NH2-OD1 3Å
10G88.2Confident88.6Confident5 Ų539.6 Ų39.65%0.05222%0.223CC..SBendtrans-67.7-48.1167.900000113.8S12 L17 D50G10-S12 PolarHBondContact O-N 2.84Å; G10-L17 PolarHBondContact O-N 3.26Å; G10-D50 PolarHBondContact N-OD1 3.28Å
11G79.6Confident88.8Confident48 Ų4840.5 Ų40.550%0.49523%0.225SC..SBendtrans-72.757.9174.400000114.6R9R9-G11 WeakPolarHBondContact CD-O 3.43Å; R9-G11 VanDerWaalsContact CG-N 3.31Å; R9-G11 PolarHBondContact NE-O 3.13Å
12S69.3Low88.5Confident23 Ų2341.5 Ų41.516%0.16124%0.237CC..  trans-67.8130.9175.9-74.30000111.4R9 G10 I15R9-S12 PolarHBondContact O-OG 3.48Å; G10-S12 PolarHBondContact O-N 2.84Å; S12-I15 WeakPolarHBondContact CB-O 3.38Å
13K67.3Low88.1Confident147 Ų14741.6 Ų41.664%0.63924%0.237SC*.SBendtrans-63.3139.3170.7-70.2-169.6179-179.50110.3I15 D75K13-I15 VanDerWaalsContact C-N 3.29Å; K13-I15 PolarHBondContact O-N 3.21Å; K13-D75 WeakPolarHBondContact CE-OD1 3.4Å; K13-D75 WeakPolarHBondContact CE-OD2 3.11Å; K13-D75 IonicContact NZ-OD2 2.8Å
14G72.8Confident87.7Confident88 Ų8845.9 Ų45.991%0.90727%0.273SS*.SBendtrans79.6-66-177.800000113.2
15I75.6Confident87.3Confident24 Ų2449.2 Ų49.212%0.12331%0.307CS..SBendtrans-114.8104.3-174-59.5173.1000110.1S12 K13 L17 K18 K21 F214S12-I15 WeakPolarHBondContact CB-O 3.38Å; K13-I15 VanDerWaalsContact C-N 3.29Å; K13-I15 PolarHBondContact O-N 3.21Å; I15-L17 PolarHBondContact O-N 2.98Å; I15-K18 HydrophobicContact CB-CB 4.1Å; I15-K18 HydrophobicContact CB-CG 4.28Å; I15-K18 HydrophobicContact CG2-CB 4.1Å; I15-K18 HydrophobicContact CG2-CG 4.34Å; I15-K18 WeakPolarHBondContact O-CB 3.48Å; I15-K18 PolarHBondContact O-N 3.38Å; I15-K18 VanDerWaalsContact O-N 3.14Å; I15-K21 HydrophobicContact CG2-CD 3.57Å; I15-K21 HydrophobicContact CG2-CG 4.47Å; I15-K21 VanDerWaalsContact CG2-NZ 3.31Å; I15-F214 HydrophobicContact CD1-CB 3.71Å; I15-F214 HydrophobicContact CD1-CD2 3.46Å; I15-F214 VanDerWaalsContact CD1-CD2 3.46Å; I15-F214 HydrophobicContact CD1-CE2 4.34Å; I15-F214 HydrophobicContact CD1-CG 3.88Å; I15-F214 HydrophobicContact CG1-CB 4.45Å
16K82.4Confident87.1Confident161 Ų16150.8 Ų50.870%0.732%0.315SS*.THydrogen-bonded Turntrans-52.4132173.7-171.7175.7-178.4-178.90110.2K18 K21K16-K18 PolarHBondContact O-N 3.36Å; K16-K21 VanDerWaalsContact O-CE 3.26Å; K16-K21 WeakPolarHBondContact O-CE 3.44Å
17L85.8Confident86.9Confident37 Ų3752.2 Ų52.219%0.19433%0.325CS..THydrogen-bonded Turntrans55.731.6179.7-65.4169.5000114.8G10 I15 N19 I20 K21 I54G10-L17 PolarHBondContact O-N 3.26Å; I15-L17 PolarHBondContact O-N 2.98Å; L17-N19 PolarHBondContact O-N 3.14Å; L17-I20 HydrophobicContact CB-CD1 4.11Å; L17-I20 HydrophobicContact CB-CG1 3.86Å; L17-I20 HydrophobicContact CD1-CD1 4.28Å; L17-I20 HydrophobicContact CD2-CD1 4.13Å; L17-I20 HydrophobicContact CD2-CG1 4.45Å; L17-I20 HydrophobicContact CG-CD1 4.4Å; L17-I20 VanDerWaalsContact O-CG1 3.32Å; L17-I20 WeakPolarHBondContact O-CG1 3.43Å; L17-I20 PolarHBondContact O-N 2.63Å; L17-K21 PolarHBondContact O-N 2.93Å; L17-I54 HydrophobicContact CD2-CD1 4.19Å; L17-I54 HydrophobicContact CD2-CG1 4.15Å
18K88.3Confident86.7Confident56 Ų5651.1 Ų51.124%0.24332%0.319CS..G310 helixtrans-46-41.9179.9-169.1-179.374.4-175.90113.5I15 K16 I20 K21 L28I15-K18 HydrophobicContact CB-CB 4.1Å; I15-K18 HydrophobicContact CB-CG 4.28Å; I15-K18 HydrophobicContact CG2-CB 4.1Å; I15-K18 HydrophobicContact CG2-CG 4.34Å; I15-K18 WeakPolarHBondContact O-CB 3.48Å; I15-K18 PolarHBondContact O-N 3.38Å; I15-K18 VanDerWaalsContact O-N 3.14Å; K16-K18 PolarHBondContact O-N 3.36Å; K18-I20 PolarHBondContact O-N 2.71Å; K18-K21 PolarHBondContact O-N 3.24Å; K18-K21 VanDerWaalsContact O-N 3.14Å; K18-L28 HydrophobicContact CD-CD2 4.39Å; K18-L28 HydrophobicContact CG-CD2 3.95Å
19N91.9Very high86.8Confident11 Ų1151.1 Ų51.16%0.05932%0.319CS..G310 helixtrans-64.2-23.2-174.7-64.1-42.7000114.2A8 R9 L17 L28 L29 I54A8-N19 WeakPolarHBondContact CA-ND2 3.48Å; A8-N19 HydrophobicContact CB-CB 4.08Å; R9-N19 PolarHBondContact O-ND2 3.41Å; L17-N19 PolarHBondContact O-N 3.14Å; N19-L28 PolarHBondContact O-N 3.19Å; N19-L29 HydrophobicContact CB-CD2 4.34Å; N19-L29 WeakPolarHBondContact O-CB 3.35Å; N19-L29 WeakPolarHBondContact O-CD2 3.37Å; N19-L29 WeakPolarHBondContact O-CG 3.5Å; N19-L29 PolarHBondContact O-N 2.93Å; N19-I54 HydrophobicContact CB-CD1 4.47Å
20I94.2Very high87Confident33 Ų3348.7 Ų48.717%0.16931%0.309CS..G310 helixtrans-109.6-0.2176.357.2169.5000113.1L17 K18 L29 E53 I54 V57L17-I20 HydrophobicContact CB-CD1 4.11Å; L17-I20 HydrophobicContact CB-CG1 3.86Å; L17-I20 HydrophobicContact CD1-CD1 4.28Å; L17-I20 HydrophobicContact CD2-CD1 4.13Å; L17-I20 HydrophobicContact CD2-CG1 4.45Å; L17-I20 HydrophobicContact CG-CD1 4.4Å; L17-I20 VanDerWaalsContact O-CG1 3.32Å; L17-I20 WeakPolarHBondContact O-CG1 3.43Å; L17-I20 PolarHBondContact O-N 2.63Å; K18-I20 PolarHBondContact O-N 2.71Å; I20-L29 HydrophobicContact CG2-CD2 3.59Å; I20-E53 HydrophobicContact CD1-CB 3.78Å; I20-I54 HydrophobicContact CD1-CG1 4.45Å; I20-I54 HydrophobicContact CG1-CG1 4.5Å; I20-I54 HydrophobicContact CG2-CB 4.31Å; I20-I54 HydrophobicContact CG2-CG1 3.91Å; I20-V57 HydrophobicContact CB-CG2 4.2Å; I20-V57 HydrophobicContact CG2-CB 3.77Å; I20-V57 HydrophobicContact CG2-CG1 4.04Å; I20-V57 HydrophobicContact CG2-CG2 3.72Å
21K92.3Very high87.4Confident60 Ų6051.2 Ų51.226%0.26132%0.318SS..SBendtrans-66.8138.5173.6-70.9-154.5179.9-173.40109.7I15 K16 L17 K18 L23 L28 F214I15-K21 HydrophobicContact CG2-CD 3.57Å; I15-K21 HydrophobicContact CG2-CG 4.47Å; I15-K21 VanDerWaalsContact CG2-NZ 3.31Å; K16-K21 VanDerWaalsContact O-CE 3.26Å; K16-K21 WeakPolarHBondContact O-CE 3.44Å; L17-K21 PolarHBondContact O-N 2.93Å; K18-K21 PolarHBondContact O-N 3.24Å; K18-K21 VanDerWaalsContact O-N 3.14Å; K21-L23 PolarHBondContact O-N 3.48Å; K21-L28 PolarHBondContact O-N 3.34Å; K21-F214 HydrophobicContact CB-CD1 4.46Å; K21-F214 HydrophobicContact CB-CE1 3.46Å; K21-F214 VanDerWaalsContact CB-CE1 3.46Å; K21-F214 HydrophobicContact CB-CE2 4.37Å; K21-F214 HydrophobicContact CB-CZ 3.4Å; K21-F214 HydrophobicContact CD-CD1 3.47Å; K21-F214 VanDerWaalsContact CD-CD1 3.47Å; K21-F214 HydrophobicContact CD-CE1 3.3Å; K21-F214 HydrophobicContact CD-CE2 4.46Å; K21-F214 HydrophobicContact CD-CG 4.22Å; K21-F214 HydrophobicContact CD-CZ 3.85Å; K21-F214 HydrophobicContact CG-CE1 4.01Å; K21-F214 HydrophobicContact CG-CZ 4.26Å
22P92.4Very high88.2Confident84 Ų8449 Ų4955%0.54529%0.294SS..EExtended strand (participates in β ladder)trans-70.4130.4-18027.9-33.3000110.5I26P22-I26 CarbonylContact C-O 3.54Å; P22-I26 WeakPolarHBondContact CA-O 3.22Å
23L89.1Confident89.6Confident16 Ų1647.9 Ų47.98%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-115.1117.1165.8177.965.8000107K21 G25 I26 L28 W31 P104 L206 T210K21-L23 PolarHBondContact O-N 3.48Å; L23-G25 PolarHBondContact O-N 3.14Å; L23-I26 PolarHBondContact N-O 3.08Å; L23-I26 PolarHBondContact O-N 3.41Å; L23-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 VanDerWaalsContact O-O 3.05Å; L23-L28 HydrophobicContact CD2-CD1 3.95Å; L23-W31 PolarHBondContact O-NE1 3.17Å; L23-P104 HydrophobicContact CD2-CB 3.8Å; L23-P104 HydrophobicContact CD2-CG 3.59Å; L23-L206 HydrophobicContact CD2-CD2 4.06Å; L23-T210 WeakPolarHBondContact CD1-OG1 3.32Å
24A89.6Confident91.1Very high91 Ų9144.8 Ų44.875%0.75227%0.271SS*.THydrogen-bonded Turntrans49.143.1-17300000113.2I26 W31A24-I26 VanDerWaalsContact C-N 3.29Å; A24-I26 PolarHBondContact O-N 2.85Å; A24-W31 HydrophobicContact CB-CZ2 4.04Å
25G91.5Very high92.3Very high70 Ų7040.7 Ų40.772%0.72223%0.229SC*.THydrogen-bonded Turntrans82.9-8177.700000115.7L23L23-G25 PolarHBondContact O-N 3.14Å
26I94.2Very high93.4Very high33 Ų3339.7 Ų39.717%0.16922%0.224CC..EExtended strand (participates in β ladder)trans-112.7131.8-178.6-66178.2000109.3P22 L23 A24 L28 W31 W61P22-I26 CarbonylContact C-O 3.54Å; P22-I26 WeakPolarHBondContact CA-O 3.22Å; L23-I26 PolarHBondContact N-O 3.08Å; L23-I26 PolarHBondContact O-N 3.41Å; L23-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 VanDerWaalsContact O-O 3.05Å; A24-I26 VanDerWaalsContact C-N 3.29Å; A24-I26 PolarHBondContact O-N 2.85Å; I26-L28 PolarHBondContact O-N 3.45Å; I26-W31 HydrophobicContact CB-CZ2 3.99Å; I26-W31 HydrophobicContact CD1-CH2 4.12Å; I26-W31 HydrophobicContact CD1-CZ2 3.8Å; I26-W31 HydrophobicContact CG1-CZ2 4.22Å; I26-W31 HydrophobicContact CG2-CD2 4.37Å; I26-W31 HydrophobicContact CG2-CG 4.17Å; I26-W31 PolarHBondContact O-NE1 3.23Å; I26-W61 HydrophobicContact CG2-CH2 3.89Å; I26-W61 HydrophobicContact CG2-CZ2 3.68Å
27P95.2Very high94.1Very high31 Ų3135.4 Ų35.420%0.20121%0.208CC..EExtended strand (participates in β ladder)trans-51.6138.9173.8-25.434.2000110.9L29 G30 V57P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 2.65Å; P27-L29 VanDerWaalsContact O-N 3.15Å; P27-G30 VanDerWaalsContact O-CA 3.31Å; P27-G30 WeakPolarHBondContact O-CA 3.4Å; P27-G30 PolarHBondContact O-N 2.89Å; P27-V57 HydrophobicContact CB-CG1 3.88Å; P27-V57 HydrophobicContact CG-CG1 3.95Å
28L93.6Very high94.7Very high4 Ų438.4 Ų38.42%0.02122%0.224CC..Hα-helixtrans-50.1-46.1-173.9-178.464.4000113.1K18 N19 K21 L23 I26 G30 W31 A101 P104K18-L28 HydrophobicContact CD-CD2 4.39Å; K18-L28 HydrophobicContact CG-CD2 3.95Å; N19-L28 PolarHBondContact O-N 3.19Å; K21-L28 PolarHBondContact O-N 3.34Å; L23-L28 HydrophobicContact CD2-CD1 3.95Å; I26-L28 PolarHBondContact O-N 3.45Å; L28-G30 PolarHBondContact O-N 3.33Å; L28-W31 PolarHBondContact O-N 3.21Å; L28-A101 VanDerWaalsContact CD1-O 3.26Å; L28-A101 WeakPolarHBondContact CD1-O 3.3Å; L28-A101 HydrophobicContact CG-CB 4.36Å; L28-A101 WeakPolarHBondContact CG-O 3.33Å; L28-P104 HydrophobicContact CD1-CB 4.15Å; L28-P104 HydrophobicContact CD1-CG 4.28Å
29L95.8Very high95.2Very high0 Ų035.9 Ų35.90%021%0.214CC..Hα-helixtrans-64.5-27.6176.775.488.8000113.1N19 I20 P27 W31 V32 L33 I54 V57 A101N19-L29 HydrophobicContact CB-CD2 4.34Å; N19-L29 WeakPolarHBondContact O-CB 3.35Å; N19-L29 WeakPolarHBondContact O-CD2 3.37Å; N19-L29 WeakPolarHBondContact O-CG 3.5Å; N19-L29 PolarHBondContact O-N 2.93Å; I20-L29 HydrophobicContact CG2-CD2 3.59Å; P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 2.65Å; P27-L29 VanDerWaalsContact O-N 3.15Å; L29-W31 VanDerWaalsContact C-N 3.28Å; L29-W31 PolarHBondContact O-N 3Å; L29-V32 WeakPolarHBondContact O-CG2 3.31Å; L29-V32 PolarHBondContact O-N 3.2Å; L29-L33 HydrophobicContact CD1-CD1 3.29Å; L29-L33 HydrophobicContact CD1-CG 3.91Å; L29-L33 WeakPolarHBondContact O-CB 3.17Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.09Å; L29-I54 HydrophobicContact CD2-CG2 3.99Å; L29-V57 HydrophobicContact CD1-CG1 4.15Å; L29-V57 HydrophobicContact CD2-CG1 4.19Å; L29-V57 HydrophobicContact CG-CG1 4.25Å; L29-A101 HydrophobicContact CB-CB 4.3Å
30G97.3Very high95.5Very high0 Ų038.6 Ų38.60%024%0.244CC..Hα-helixtrans-62.4-33.2177.900000113P27 L28 R34P27-G30 VanDerWaalsContact O-CA 3.31Å; P27-G30 WeakPolarHBondContact O-CA 3.4Å; P27-G30 PolarHBondContact O-N 2.89Å; L28-G30 PolarHBondContact O-N 3.33Å; G30-R34 WeakPolarHBondContact O-CB 3.42Å; G30-R34 PolarHBondContact O-N 2.94Å
31W97.2Very high95.7Very high59 Ų5939.2 Ų39.222%0.22325%0.247CC..Hα-helixtrans-60.1-48.5175.6-7394000112L23 A24 I26 L28 L29 A35 P104L23-W31 PolarHBondContact O-NE1 3.17Å; A24-W31 HydrophobicContact CB-CZ2 4.04Å; I26-W31 HydrophobicContact CB-CZ2 3.99Å; I26-W31 HydrophobicContact CD1-CH2 4.12Å; I26-W31 HydrophobicContact CD1-CZ2 3.8Å; I26-W31 HydrophobicContact CG1-CZ2 4.22Å; I26-W31 HydrophobicContact CG2-CD2 4.37Å; I26-W31 HydrophobicContact CG2-CG 4.17Å; I26-W31 PolarHBondContact O-NE1 3.23Å; L28-W31 PolarHBondContact O-N 3.21Å; L29-W31 VanDerWaalsContact C-N 3.28Å; L29-W31 PolarHBondContact O-N 3Å; W31-A35 PolarHBondContact O-N 3.49Å; W31-P104 HydrophobicContact CB-CB 3.77Å; W31-P104 HydrophobicContact CD2-CB 4.39Å; W31-P104 HydrophobicContact CG-CB 3.83Å
32V97.1Very high96Very high0 Ų037.7 Ų37.70%024%0.24CC..Hα-helixtrans-77.5-32.8-178.4-62.30000112.5V6 L29 A35 A36 I99 A101 L106V6-V32 HydrophobicContact CG1-CG2 4.33Å; V6-V32 HydrophobicContact CG2-CG2 3.93Å; L29-V32 WeakPolarHBondContact O-CG2 3.31Å; L29-V32 PolarHBondContact O-N 3.2Å; V32-A35 PolarHBondContact O-N 2.95Å; V32-A36 PolarHBondContact O-N 3.31Å; V32-I99 HydrophobicContact CB-CG2 3.72Å; V32-I99 HydrophobicContact CG1-CG2 3.98Å; V32-I99 HydrophobicContact CG2-CG2 4.33Å; V32-A101 HydrophobicContact CG2-CB 4.2Å; V32-L106 HydrophobicContact CG1-CD2 4.49Å
33L98.4Very high96.3Very high1 Ų138.7 Ų38.71%0.00524%0.241CC..Hα-helixtrans-63.3-44172.7-73.3-172000111.2V6 L29 A35 A36 I37 I45 V47 W61 A63V6-L33 HydrophobicContact CG2-CD2 4.05Å; L29-L33 HydrophobicContact CD1-CD1 3.29Å; L29-L33 HydrophobicContact CD1-CG 3.91Å; L29-L33 WeakPolarHBondContact O-CB 3.17Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.09Å; L33-A35 VanDerWaalsContact C-N 3.34Å; L33-A35 PolarHBondContact O-N 3.37Å; L33-A36 PolarHBondContact O-N 3.32Å; L33-I37 WeakPolarHBondContact O-CD1 3.41Å; L33-I37 VanDerWaalsContact O-CG1 3.22Å; L33-I37 WeakPolarHBondContact O-CG1 3.39Å; L33-I37 PolarHBondContact O-N 2.83Å; L33-I45 HydrophobicContact CD2-CG2 3.67Å; L33-V47 HydrophobicContact CD1-CG2 4.05Å; L33-V47 HydrophobicContact CD2-CG2 3.91Å; L33-V47 HydrophobicContact CG-CG2 4.44Å; L33-W61 HydrophobicContact CB-CB 4.3Å; L33-W61 HydrophobicContact CD1-CB 3.49Å; L33-W61 VanDerWaalsContact CD1-CB 3.49Å; L33-W61 HydrophobicContact CD1-CG 4Å; L33-A63 HydrophobicContact CD1-CB 3.84Å; L33-A63 HydrophobicContact CD2-CB 3.96Å
34R98.1Very high96.7Very high81 Ų8138.3 Ų38.331%0.30624%0.239SC..Hα-helixtrans-57.9-47.3174.3-174.1171.259.6-158.3-5.5111.4G30 A36 I37 D38 W61G30-R34 WeakPolarHBondContact O-CB 3.42Å; G30-R34 PolarHBondContact O-N 2.94Å; R34-A36 VanDerWaalsContact C-N 3.27Å; R34-A36 PolarHBondContact O-N 2.75Å; R34-I37 PolarHBondContact O-N 3.14Å; R34-D38 VanDerWaalsContact CG-OD2 3.22Å; R34-D38 WeakPolarHBondContact CG-OD2 3.31Å; R34-D38 WeakPolarHBondContact O-CB 3.37Å; R34-D38 VanDerWaalsContact O-CG 3.28Å; R34-D38 PolarHBondContact O-N 2.66Å; R34-W61 HydrophobicContact CB-CE3 4.4Å; R34-W61 HydrophobicContact CB-CZ3 3.8Å; R34-W61 HydrophobicContact CG-CZ3 4.41Å
35A97.8Very high97.2Very high3 Ų335.2 Ų35.23%0.02521%0.21CC..Hα-helixtrans-58.8-40178.100000112.4W31 V32 L33 S39 L106 L111W31-A35 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 2.95Å; L33-A35 VanDerWaalsContact C-N 3.34Å; L33-A35 PolarHBondContact O-N 3.37Å; A35-S39 WeakPolarHBondContact O-CB 3.43Å; A35-S39 PolarHBondContact O-N 3.25Å; A35-L106 HydrophobicContact CB-CB 4.27Å; A35-L106 HydrophobicContact CB-CD2 4.23Å; A35-L106 HydrophobicContact CB-CG 4.02Å; A35-L106 VanDerWaalsContact CB-O 3.23Å; A35-L106 WeakPolarHBondContact CB-O 3.22Å; A35-L111 HydrophobicContact CB-CD1 4.49Å
36A98.5Very high97.5Very high2 Ų233.1 Ų33.12%0.01718%0.181CC..Hα-helixtrans-66.6-45.1175.700000112.2A4 V32 L33 R34 S39 F42 I45 I99 L111A4-A36 HydrophobicContact CB-CB 4.08Å; V32-A36 PolarHBondContact O-N 3.31Å; L33-A36 PolarHBondContact O-N 3.32Å; R34-A36 VanDerWaalsContact C-N 3.27Å; R34-A36 PolarHBondContact O-N 2.75Å; A36-S39 WeakPolarHBondContact O-CB 3.4Å; A36-S39 PolarHBondContact O-N 2.78Å; A36-S39 PolarHBondContact O-OG 3.31Å; A36-F42 HydrophobicContact CB-CD2 4.09Å; A36-F42 HydrophobicContact CB-CE2 3.91Å; A36-F42 WeakPolarHBondContact O-CD2 3.4Å; A36-I45 HydrophobicContact CB-CD1 3.99Å; A36-I45 HydrophobicContact CB-CG1 4.44Å; A36-I45 HydrophobicContact CB-CG2 4.33Å; A36-I99 HydrophobicContact CB-CD1 4.01Å; A36-L111 HydrophobicContact CB-CD1 4.32Å
37I98.4Very high97.7Very high72 Ų7231.6 Ų31.637%0.36917%0.173SC..Hα-helixtrans-61.6-54178.3-67.5160.5000110.5L33 R34 S39 G40 I45 W61L33-I37 WeakPolarHBondContact O-CD1 3.41Å; L33-I37 VanDerWaalsContact O-CG1 3.22Å; L33-I37 WeakPolarHBondContact O-CG1 3.39Å; L33-I37 PolarHBondContact O-N 2.83Å; R34-I37 PolarHBondContact O-N 3.14Å; I37-S39 PolarHBondContact O-N 3.44Å; I37-S39 VanDerWaalsContact O-N 3.14Å; I37-G40 PolarHBondContact O-N 3.41Å; I37-G40 VanDerWaalsContact O-N 3.08Å; I37-I45 HydrophobicContact CB-CD1 4.2Å; I37-I45 HydrophobicContact CG1-CD1 3.48Å; I37-I45 VanDerWaalsContact CG1-CD1 3.48Å; I37-W61 VanDerWaalsContact CD1-O 3.22Å; I37-W61 WeakPolarHBondContact CD1-O 3.32Å
38D98.3Very high97.9Very high99 Ų9930.1 Ų30.153%0.52916%0.163SC..Hα-helixtrans-67.2-17-175.7-66.1-10000112.3R34 G40 P108R34-D38 VanDerWaalsContact CG-OD2 3.22Å; R34-D38 WeakPolarHBondContact CG-OD2 3.31Å; R34-D38 WeakPolarHBondContact O-CB 3.37Å; R34-D38 VanDerWaalsContact O-CG 3.28Å; R34-D38 PolarHBondContact O-N 2.66Å; D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 PolarHBondContact O-N 3.15Å; D38-P108 HydrophobicContact CB-CB 4.23Å; D38-P108 HydrophobicContact CB-CG 3.55Å
39S98.2Very high98.1Very high4 Ų429.9 Ų29.93%0.02816%0.162CC..Hα-helixtrans-66.5-31.4173.878.80000112.7A35 A36 I37 M41 F42 Q112A35-S39 WeakPolarHBondContact O-CB 3.43Å; A35-S39 PolarHBondContact O-N 3.25Å; A36-S39 WeakPolarHBondContact O-CB 3.4Å; A36-S39 PolarHBondContact O-N 2.78Å; A36-S39 PolarHBondContact O-OG 3.31Å; I37-S39 PolarHBondContact O-N 3.44Å; I37-S39 VanDerWaalsContact O-N 3.14Å; S39-M41 WeakPolarHBondContact O-CG 3.44Å; S39-M41 PolarHBondContact O-N 3.43Å; S39-M41 PolarHBondContact OG-N 2.94Å; S39-F42 WeakPolarHBondContact OG-CD2 3.45Å; S39-F42 WeakPolarHBondContact OG-CE2 3.4Å; S39-Q112 PolarHBondContact O-NE2 3.24Å
40G98.1Very high98.1Very high68 Ų6832.1 Ų32.170%0.70117%0.174SC*.  trans65.111.4-17400000114.9I37 D38I37-G40 PolarHBondContact O-N 3.41Å; I37-G40 VanDerWaalsContact O-N 3.08Å; D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 PolarHBondContact O-N 3.15Å
41M97.9Very high98.1Very high45 Ų4534.9 Ų34.922%0.22219%0.186CC..  trans-95.1-13-171-62.6-64.1-67.500114.7S39 Q112 L115 M119S39-M41 WeakPolarHBondContact O-CG 3.44Å; S39-M41 PolarHBondContact O-N 3.43Å; S39-M41 PolarHBondContact OG-N 2.94Å; M41-Q112 HydrophobicContact CG-CB 4.28Å; M41-Q112 HydrophobicContact CG-CG 3.64Å; M41-Q112 HydrophobicContact SD-CB 4.41Å; M41-Q112 HydrophobicContact SD-CG 3.99Å; M41-L115 HydrophobicContact CB-CD1 3.41Å; M41-L115 VanDerWaalsContact CB-CD1 3.41Å; M41-L115 HydrophobicContact CE-CB 3.94Å; M41-L115 HydrophobicContact CG-CD1 4.09Å; M41-M119 HydrophobicContact CE-CE 4.18Å; M41-M119 HydrophobicContact CE-SD 4.06Å
42F98.6Very high98.1Very high28 Ų2836.4 Ų36.412%0.12320%0.199CC..  trans-102.2134.8-170.5-61.1-73.9000112.2V2 A4 A36 S39 S44 I45 C97 I99 L111 L115V2-F42 HydrophobicContact CG1-CD1 3.93Å; V2-F42 HydrophobicContact CG1-CE1 4.15Å; A4-F42 HydrophobicContact CB-CB 4.46Å; A4-F42 HydrophobicContact CB-CD1 3.63Å; A4-F42 HydrophobicContact CB-CD2 3.87Å; A4-F42 HydrophobicContact CB-CE1 3.71Å; A4-F42 HydrophobicContact CB-CE2 3.94Å; A4-F42 HydrophobicContact CB-CG 3.7Å; A4-F42 HydrophobicContact CB-CZ 3.85Å; A4-F42 VanDerWaalsContact N-CD1 3.26Å; A36-F42 HydrophobicContact CB-CD2 4.09Å; A36-F42 HydrophobicContact CB-CE2 3.91Å; A36-F42 WeakPolarHBondContact O-CD2 3.4Å; S39-F42 WeakPolarHBondContact OG-CD2 3.45Å; S39-F42 WeakPolarHBondContact OG-CE2 3.4Å; F42-S44 VanDerWaalsContact C-N 3.3Å; F42-I45 HydrophobicContact CB-CG1 3.98Å; F42-I45 HydrophobicContact CD2-CG1 4.49Å; F42-I45 HydrophobicContact CG-CG1 4.46Å; F42-C97 HydrophobicContact CE1-CB 3.46Å; F42-C97 VanDerWaalsContact CE1-CB 3.46Å; F42-C97 HydrophobicContact CZ-CB 3.89Å; F42-I99 HydrophobicContact CZ-CD1 4.46Å; F42-L111 HydrophobicContact CE2-CB 4.46Å; F42-L111 HydrophobicContact CE2-CD1 3.9Å; F42-L111 HydrophobicContact CZ-CB 4.47Å; F42-L111 HydrophobicContact CZ-CD1 4.22Å; F42-L111 HydrophobicContact CZ-CD2 4.47Å; F42-L115 HydrophobicContact CD1-CD1 4.3Å; F42-L115 HydrophobicContact CE1-CD1 3.6Å; F42-L115 HydrophobicContact CE1-CD2 4.45Å; F42-L115 HydrophobicContact CE2-CD1 4.27Å; F42-L115 HydrophobicContact CZ-CD1 3.61Å
43N98.7Very high98.1Very high106 Ų10640.1 Ų40.157%0.56722%0.217SC*.SBendtrans-71.6-29.3169.9-60.1110.1000111.4H1 V2H1-N43 WeakPolarHBondContact CA-OD1 3.48Å; H1-N43 WeakPolarHBondContact CE1-CB 3.4Å; H1-N43 VanDerWaalsContact ND1-CB 3.34Å; H1-N43 WeakPolarHBondContact ND1-CB 3.37Å; V2-N43 PolarHBondContact N-OD1 2.84Å; V2-N43 PolarHBondContact O-N 2.86Å
44S98.7Very high98.1Very high7 Ų740.1 Ų40.15%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-152151.2171.357.80000112.4H1 A3 A4 F42 W46H1-S44 PolarHBondContact CE1-OG 2.86Å; H1-S44 PolarHBondContact NE2-OG 3.14Å; A3-S44 CarbonylContact C-O 3.57Å; A3-S44 VanDerWaalsContact CA-O 3.3Å; A3-S44 WeakPolarHBondContact CA-O 3.38Å; A4-S44 PolarHBondContact N-O 3.22Å; F42-S44 VanDerWaalsContact C-N 3.3Å; S44-W46 PolarHBondContact OG-NE1 3.27Å
45I98.9Very high98.1Very high27 Ų2738 Ų3814%0.13821%0.21CC..EExtended strand (participates in β ladder)trans-122.1126.6179.9-58.1175.3000107.6A4 L33 A36 I37 F42 A63 K64A4-I45 HydrophobicContact CB-CB 4.39Å; A4-I45 HydrophobicContact CB-CG1 4.14Å; A4-I45 HydrophobicContact CB-CG2 4.18Å; L33-I45 HydrophobicContact CD2-CG2 3.67Å; A36-I45 HydrophobicContact CB-CD1 3.99Å; A36-I45 HydrophobicContact CB-CG1 4.44Å; A36-I45 HydrophobicContact CB-CG2 4.33Å; I37-I45 HydrophobicContact CB-CD1 4.2Å; I37-I45 HydrophobicContact CG1-CD1 3.48Å; I37-I45 VanDerWaalsContact CG1-CD1 3.48Å; F42-I45 HydrophobicContact CB-CG1 3.98Å; F42-I45 HydrophobicContact CD2-CG1 4.49Å; F42-I45 HydrophobicContact CG-CG1 4.46Å; I45-A63 HydrophobicContact CG2-CB 4.23Å; I45-K64 PolarHBondContact O-N 2.96Å
46W98.9Very high98.1Very high26 Ų2643.3 Ų43.310%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-126.8146.3-171.4-65.887.6000112.6A4 L5 V6 S44 K64 H66 F86 N90A4-W46 PolarHBondContact O-N 3.21Å; L5-W46 WeakPolarHBondContact CA-O 3.34Å; L5-W46 HydrophobicContact CD1-CB 3.81Å; V6-W46 PolarHBondContact N-O 3.05Å; S44-W46 PolarHBondContact OG-NE1 3.27Å; W46-K64 CarbonylContact C-O 3.42Å; W46-K64 VanDerWaalsContact CA-O 3.3Å; W46-K64 WeakPolarHBondContact CA-O 3.18Å; W46-K64 HydrophobicContact CD2-CB 3.5Å; W46-K64 HydrophobicContact CD2-CD 4.15Å; W46-K64 HydrophobicContact CD2-CG 4.44Å; W46-K64 HydrophobicContact CE3-CB 3.29Å; W46-K64 HydrophobicContact CE3-CD 4.38Å; W46-K64 HydrophobicContact CE3-CG 4.48Å; W46-K64 HydrophobicContact CG-CB 4.23Å; W46-K64 HydrophobicContact CH2-CB 3.92Å; W46-K64 HydrophobicContact CH2-CD 3.63Å; W46-K64 HydrophobicContact CH2-CG 4.42Å; W46-K64 HydrophobicContact CZ2-CB 4.1Å; W46-K64 HydrophobicContact CZ2-CD 3.34Å; W46-K64 HydrophobicContact CZ2-CG 4.38Å; W46-K64 HydrophobicContact CZ3-CB 3.5Å; W46-K64 HydrophobicContact CZ3-CD 4.15Å; W46-K64 HydrophobicContact CZ3-CG 4.46Å; W46-H66 HydrophobicContact CE3-CB 4.3Å; W46-F86 HydrophobicContact CB-CE2 4Å; W46-F86 HydrophobicContact CB-CZ 4.24Å; W46-F86 AromaticContact CD1-CE2 3.98Å; W46-F86 AromaticContact CD1-CZ 3.63Å; W46-F86 AromaticContact CD2-CE2 3.56Å; W46-F86 HydrophobicContact CD2-CE2 3.56Å; W46-F86 HydrophobicContact CD2-CZ 4Å; W46-F86 AromaticContact CE2-CE2 3.93Å; W46-F86 AromaticContact CE3-CE2 3.94Å; W46-F86 HydrophobicContact CE3-CE2 3.94Å; W46-F86 AromaticContact CG-CE2 3.6Å; W46-F86 HydrophobicContact CG-CE2 3.6Å; W46-F86 AromaticContact CG-CZ 3.72Å; W46-F86 HydrophobicContact CG-CZ 3.72Å; W46-F86 AromaticContact NE1-CZ 3.79Å; W46-N90 VanDerWaalsContact CH2-OD1 3.23Å; W46-N90 WeakPolarHBondContact CH2-OD1 3.23Å; W46-N90 VanDerWaalsContact CZ2-OD1 3.31Å; W46-N90 WeakPolarHBondContact CZ2-OD1 3.47Å
47V98.8Very high98.1Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-116.1121.8162.8-179.70000108.4V6 A8 L33 I54 A58 A63 K64 V65 H66V6-V47 HydrophobicContact CB-CG2 4.38Å; V6-V47 CarbonylContact O-C 3.59Å; V6-V47 WeakPolarHBondContact O-CA 3.22Å; A8-V47 HydrophobicContact CB-CG1 3.8Å; L33-V47 HydrophobicContact CD1-CG2 4.05Å; L33-V47 HydrophobicContact CD2-CG2 3.91Å; L33-V47 HydrophobicContact CG-CG2 4.44Å; V47-I54 HydrophobicContact CG1-CG2 4.14Å; V47-A58 HydrophobicContact CB-CB 3.68Å; V47-A58 HydrophobicContact CG1-CB 4.09Å; V47-A58 HydrophobicContact CG2-CB 3.57Å; V47-A63 HydrophobicContact CG2-CB 3.99Å; V47-K64 PolarHBondContact N-O 3.16Å; V47-V65 WeakPolarHBondContact O-CA 3.23Å; V47-H66 PolarHBondContact O-N 2.91Å
48S98.6Very high98.1Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-92.7117171.3173.20000109.1V6 A8 H66 R68V6-S48 PolarHBondContact O-N 3Å; A8-S48 PolarHBondContact N-O 3.47Å; S48-H66 WeakPolarHBondContact CA-O 3.3Å; S48-H66 PolarHBondContact OG-CD2 3.25Å; S48-R68 WeakPolarHBondContact OG-CB 3.47Å; S48-R68 WeakPolarHBondContact OG-CD 3.24Å
49T98.1Very high98.1Very high0 Ų042.2 Ų42.20%022%0.222CC..EExtended strand (participates in β ladder)trans-146.5156.4-175.1-166.50000112.9A8 H51 I54 E55 V65 H66 R67 R68A8-T49 VanDerWaalsContact O-CB 3.24Å; A8-T49 WeakPolarHBondContact O-CB 2.97Å; A8-T49 PolarHBondContact O-OG1 3.4Å; T49-H51 PolarHBondContact OG1-N 3.08Å; T49-I54 HydrophobicContact CG2-CB 4.31Å; T49-I54 HydrophobicContact CG2-CG2 4.11Å; T49-I54 WeakPolarHBondContact OG1-CB 3.21Å; T49-I54 WeakPolarHBondContact OG1-CG2 3.47Å; T49-E55 HydrophobicContact CG2-CB 4.08Å; T49-V65 HydrophobicContact CG2-CG1 3.99Å; T49-H66 PolarHBondContact N-O 2.88Å; T49-R67 WeakPolarHBondContact O-CA 3.26Å; T49-R68 PolarHBondContact O-N 3.05Å
50D96.3Very high98.1Very high46 Ų4647.6 Ų47.625%0.24626%0.255CS..SBendtrans-106.81173.752.410.2000112.4G10 R68 S73G10-D50 PolarHBondContact N-OD1 3.28Å; D50-R68 HydrophobicContact CB-CG 4.24Å; D50-R68 IonicContact OD1-NH2 2.71Å; D50-R68 IonicContact OD2-CZ 3.88Å; D50-R68 IonicContact OD2-NE 3.26Å; D50-R68 IonicContact OD2-NH2 2.66Å; D50-R68 PolarHBondContact OD2-NH2 3.45Å; D50-S73 WeakPolarHBondContact OD2-CB 3.41Å; D50-S73 PolarHBondContact OD2-OG 2.66Å
51H97.1Very high98Very high58 Ų5847.3 Ų47.327%0.26923%0.233SC..  trans-126.6129.4-167.6-163.9-70.1000113.2T49 E53 I54 E55T49-H51 PolarHBondContact OG1-N 3.08Å; H51-E53 PolarHBondContact ND1-N 3.21Å; H51-E53 PolarHBondContact O-N 3.18Å; H51-I54 HydrophobicContact CB-CB 4.33Å; H51-I54 HydrophobicContact CB-CD1 4.04Å; H51-I54 HydrophobicContact CB-CG1 4.07Å; H51-I54 PolarHBondContact O-N 3.34Å; H51-I54 VanDerWaalsContact O-N 3.08Å; H51-E55 PolarHBondContact O-N 2.87Å
52D97.3Very high98Very high91 Ų9148.4 Ų48.449%0.48726%0.255SS..Hα-helixtrans-61.3-41.7-173.4-60.3-16.4000113.1I54 E55 K56 R67D52-I54 VanDerWaalsContact C-N 3.31Å; D52-I54 PolarHBondContact O-N 2.71Å; D52-E55 WeakPolarHBondContact O-CB 3.31Å; D52-E55 PolarHBondContact O-N 2.81Å; D52-K56 WeakPolarHBondContact O-CG 3.46Å; D52-K56 PolarHBondContact O-N 3.31Å; D52-R67 IonicContact OD1-CZ 3.18Å; D52-R67 VanDerWaalsContact OD1-CZ 3.26Å; D52-R67 IonicContact OD1-NH1 3.63Å; D52-R67 PolarHBondContact OD1-NH1 3.29Å; D52-R67 IonicContact OD1-NH2 2.68Å; D52-R67 PolarHBondContact OD1-NH2 3.08Å
53E97.1Very high98Very high79 Ų7947.4 Ų47.437%0.36925%0.252SS..Hα-helixtrans-65.2-32.8176.9-62.3-54.3126.600113.3I20 H51 K56 V57I20-E53 HydrophobicContact CD1-CB 3.78Å; H51-E53 PolarHBondContact ND1-N 3.21Å; H51-E53 PolarHBondContact O-N 3.18Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 2.98Å; E53-K56 IonicContact OE2-NZ 3.92Å; E53-V57 WeakPolarHBondContact O-CG2 3.44Å; E53-V57 PolarHBondContact O-N 3.1Å; E53-V57 VanDerWaalsContact O-N 3.14Å
54I97.8Very high98Very high0 Ų047.4 Ų47.40%025%0.247CC..Hα-helixtrans-70.3-41.2175.3-62.5-177.4000109.8A8 L17 N19 I20 L29 V47 T49 H51 D52 V57 A58A8-I54 HydrophobicContact CB-CD1 4.44Å; A8-I54 HydrophobicContact CB-CG2 3.64Å; A8-I54 WeakPolarHBondContact O-CD1 3.3Å; L17-I54 HydrophobicContact CD2-CD1 4.19Å; L17-I54 HydrophobicContact CD2-CG1 4.15Å; N19-I54 HydrophobicContact CB-CD1 4.47Å; I20-I54 HydrophobicContact CD1-CG1 4.45Å; I20-I54 HydrophobicContact CG1-CG1 4.5Å; I20-I54 HydrophobicContact CG2-CB 4.31Å; I20-I54 HydrophobicContact CG2-CG1 3.91Å; L29-I54 HydrophobicContact CD2-CG2 3.99Å; V47-I54 HydrophobicContact CG1-CG2 4.14Å; T49-I54 HydrophobicContact CG2-CB 4.31Å; T49-I54 HydrophobicContact CG2-CG2 4.11Å; T49-I54 WeakPolarHBondContact OG1-CB 3.21Å; T49-I54 WeakPolarHBondContact OG1-CG2 3.47Å; H51-I54 HydrophobicContact CB-CB 4.33Å; H51-I54 HydrophobicContact CB-CD1 4.04Å; H51-I54 HydrophobicContact CB-CG1 4.07Å; H51-I54 PolarHBondContact O-N 3.34Å; H51-I54 VanDerWaalsContact O-N 3.08Å; D52-I54 VanDerWaalsContact C-N 3.31Å; D52-I54 PolarHBondContact O-N 2.71Å; I54-V57 PolarHBondContact O-N 3.14Å; I54-A58 WeakPolarHBondContact O-CB 3.27Å; I54-A58 PolarHBondContact O-N 3.32Å
55E98.4Very high98Very high36 Ų3648.4 Ų48.417%0.16825%0.253CS..Hα-helixtrans-58.7-47.2173.4164.2171.1-173.500111.8T49 H51 D52 V57 A58 K59 V65 R67T49-E55 HydrophobicContact CG2-CB 4.08Å; H51-E55 PolarHBondContact O-N 2.87Å; D52-E55 WeakPolarHBondContact O-CB 3.31Å; D52-E55 PolarHBondContact O-N 2.81Å; E55-V57 VanDerWaalsContact C-N 3.32Å; E55-V57 PolarHBondContact O-N 3Å; E55-A58 PolarHBondContact O-N 3.16Å; E55-K59 HydrophobicContact CG-CD 4.19Å; E55-K59 WeakPolarHBondContact O-CG 3.34Å; E55-K59 PolarHBondContact O-N 3.25Å; E55-K59 WeakPolarHBondContact OE1-CE 3.38Å; E55-K59 IonicContact OE1-NZ 2.63Å; E55-K59 PolarHBondContact OE1-NZ 2.92Å; E55-V65 HydrophobicContact CB-CG1 4.06Å; E55-V65 HydrophobicContact CB-CG2 4.47Å; E55-V65 HydrophobicContact CG-CB 4.33Å; E55-V65 HydrophobicContact CG-CG1 3.96Å; E55-V65 HydrophobicContact CG-CG2 4.08Å; E55-R67 VanDerWaalsContact OE2-CD 3.31Å; E55-R67 WeakPolarHBondContact OE2-CD 3.09Å; E55-R67 IonicContact OE2-CZ 3.81Å; E55-R67 IonicContact OE2-NE 3.98Å; E55-R67 IonicContact OE2-NH1 3.96Å; E55-R67 PolarHBondContact OE2-NH1 3.18Å
56K98.1Very high97.9Very high116 Ų11647.6 Ų47.650%0.50425%0.249SC..Hα-helixtrans-56.5-48.5177.9-73.3173.7-172.3169.40110.7D52 E53 K59 T60D52-K56 WeakPolarHBondContact O-CG 3.46Å; D52-K56 PolarHBondContact O-N 3.31Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 2.98Å; E53-K56 IonicContact OE2-NZ 3.92Å; K56-K59 PolarHBondContact O-N 2.81Å; K56-T60 WeakPolarHBondContact O-CG2 3.33Å; K56-T60 PolarHBondContact O-N 3.38Å
57V97.9Very high97.9Very high27 Ų2751.9 Ų51.916%0.16427%0.265CS..Hα-helixtrans-64.1-44.6177.2177.10000111.1I20 P27 L29 E53 I54 E55 K59 T60 W61I20-V57 HydrophobicContact CB-CG2 4.2Å; I20-V57 HydrophobicContact CG2-CB 3.77Å; I20-V57 HydrophobicContact CG2-CG1 4.04Å; I20-V57 HydrophobicContact CG2-CG2 3.72Å; P27-V57 HydrophobicContact CB-CG1 3.88Å; P27-V57 HydrophobicContact CG-CG1 3.95Å; L29-V57 HydrophobicContact CD1-CG1 4.15Å; L29-V57 HydrophobicContact CD2-CG1 4.19Å; L29-V57 HydrophobicContact CG-CG1 4.25Å; E53-V57 WeakPolarHBondContact O-CG2 3.44Å; E53-V57 PolarHBondContact O-N 3.1Å; E53-V57 VanDerWaalsContact O-N 3.14Å; I54-V57 PolarHBondContact O-N 3.14Å; E55-V57 VanDerWaalsContact C-N 3.32Å; E55-V57 PolarHBondContact O-N 3Å; V57-K59 VanDerWaalsContact C-N 3.26Å; V57-K59 PolarHBondContact O-N 3.28Å; V57-T60 PolarHBondContact O-N 3.26Å; V57-T60 VanDerWaalsContact O-N 3.13Å; V57-T60 PolarHBondContact O-OG1 2.93Å; V57-W61 VanDerWaalsContact O-CD1 3.27Å; V57-W61 PolarHBondContact O-N 2.78Å
58A98.3Very high97.8Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-55.6-42.8177.800000112.4V47 I54 E55 T60 W61 G62 A63 V65V47-A58 HydrophobicContact CB-CB 3.68Å; V47-A58 HydrophobicContact CG1-CB 4.09Å; V47-A58 HydrophobicContact CG2-CB 3.57Å; I54-A58 WeakPolarHBondContact O-CB 3.27Å; I54-A58 PolarHBondContact O-N 3.32Å; E55-A58 PolarHBondContact O-N 3.16Å; A58-T60 PolarHBondContact O-N 3.17Å; A58-W61 PolarHBondContact O-N 2.85Å; A58-G62 PolarHBondContact O-N 2.6Å; A58-A63 HydrophobicContact CB-CB 4.49Å; A58-A63 PolarHBondContact O-N 2.55Å; A58-A63 VanDerWaalsContact O-N 3.14Å; A58-V65 HydrophobicContact CB-CG2 3.76Å
59K98.2Very high97.7Very high123 Ų12354.2 Ų54.254%0.53528%0.278SS..Hα-helixtrans-65.2-35.3178.1-72.6179.1-179.8175.70113.3E55 K56 V57 W61 G62 V65E55-K59 HydrophobicContact CG-CD 4.19Å; E55-K59 WeakPolarHBondContact O-CG 3.34Å; E55-K59 PolarHBondContact O-N 3.25Å; E55-K59 WeakPolarHBondContact OE1-CE 3.38Å; E55-K59 IonicContact OE1-NZ 2.63Å; E55-K59 PolarHBondContact OE1-NZ 2.92Å; K56-K59 PolarHBondContact O-N 2.81Å; V57-K59 VanDerWaalsContact C-N 3.26Å; V57-K59 PolarHBondContact O-N 3.28Å; K59-W61 PolarHBondContact O-N 3.49Å; K59-G62 PolarHBondContact O-N 2.92Å; K59-V65 HydrophobicContact CG-CG2 4.14Å
60T97.8Very high97.5Very high116 Ų11658.9 Ų58.971%0.71231%0.308SS*.Hα-helixtrans-67-21.2176.663.90000112.9K56 V57 A58K56-T60 WeakPolarHBondContact O-CG2 3.33Å; K56-T60 PolarHBondContact O-N 3.38Å; V57-T60 PolarHBondContact O-N 3.26Å; V57-T60 VanDerWaalsContact O-N 3.13Å; V57-T60 PolarHBondContact O-OG1 2.93Å; A58-T60 PolarHBondContact O-N 3.17Å
61W97.2Very high97.4Very high63 Ų6362.3 Ų62.324%0.23932%0.323CS..THydrogen-bonded Turntrans-91.56.5172.3-72.184.9000113.2I26 L33 R34 I37 V57 A58 K59 A63I26-W61 HydrophobicContact CG2-CH2 3.89Å; I26-W61 HydrophobicContact CG2-CZ2 3.68Å; L33-W61 HydrophobicContact CB-CB 4.3Å; L33-W61 HydrophobicContact CD1-CB 3.49Å; L33-W61 VanDerWaalsContact CD1-CB 3.49Å; L33-W61 HydrophobicContact CD1-CG 4Å; R34-W61 HydrophobicContact CB-CE3 4.4Å; R34-W61 HydrophobicContact CB-CZ3 3.8Å; R34-W61 HydrophobicContact CG-CZ3 4.41Å; I37-W61 VanDerWaalsContact CD1-O 3.22Å; I37-W61 WeakPolarHBondContact CD1-O 3.32Å; V57-W61 VanDerWaalsContact O-CD1 3.27Å; V57-W61 PolarHBondContact O-N 2.78Å; A58-W61 PolarHBondContact O-N 2.85Å; K59-W61 PolarHBondContact O-N 3.49Å; W61-A63 PolarHBondContact O-N 2.96Å
62G96.9Very high97.3Very high67 Ų6760.2 Ų60.269%0.69131%0.314SS*.THydrogen-bonded Turntrans739.3179.900000114.6A58 K59A58-G62 PolarHBondContact O-N 2.6Å; K59-G62 PolarHBondContact O-N 2.92Å
63A98.4Very high97Very high7 Ų756.7 Ų56.76%0.05830%0.296CS..  trans-76.7142.8174.500000110.9L33 I45 V47 A58 W61L33-A63 HydrophobicContact CD1-CB 3.84Å; L33-A63 HydrophobicContact CD2-CB 3.96Å; I45-A63 HydrophobicContact CG2-CB 4.23Å; V47-A63 HydrophobicContact CG2-CB 3.99Å; A58-A63 HydrophobicContact CB-CB 4.49Å; A58-A63 PolarHBondContact O-N 2.55Å; A58-A63 VanDerWaalsContact O-N 3.14Å; W61-A63 PolarHBondContact O-N 2.96Å
64K98.7Very high96.7Very high106 Ų10658.7 Ų58.746%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-70.7155.8167.3-61.9-176.1179.8-174.50109.4I45 W46 V47I45-K64 PolarHBondContact O-N 2.96Å; W46-K64 CarbonylContact C-O 3.42Å; W46-K64 VanDerWaalsContact CA-O 3.3Å; W46-K64 WeakPolarHBondContact CA-O 3.18Å; W46-K64 HydrophobicContact CD2-CB 3.5Å; W46-K64 HydrophobicContact CD2-CD 4.15Å; W46-K64 HydrophobicContact CD2-CG 4.44Å; W46-K64 HydrophobicContact CE3-CB 3.29Å; W46-K64 HydrophobicContact CE3-CD 4.38Å; W46-K64 HydrophobicContact CE3-CG 4.48Å; W46-K64 HydrophobicContact CG-CB 4.23Å; W46-K64 HydrophobicContact CH2-CB 3.92Å; W46-K64 HydrophobicContact CH2-CD 3.63Å; W46-K64 HydrophobicContact CH2-CG 4.42Å; W46-K64 HydrophobicContact CZ2-CB 4.1Å; W46-K64 HydrophobicContact CZ2-CD 3.34Å; W46-K64 HydrophobicContact CZ2-CG 4.38Å; W46-K64 HydrophobicContact CZ3-CB 3.5Å; W46-K64 HydrophobicContact CZ3-CD 4.15Å; W46-K64 HydrophobicContact CZ3-CG 4.46Å; V47-K64 PolarHBondContact N-O 3.16Å
65V98.6Very high96.1Very high29 Ų2962.9 Ų62.918%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-121.1126.8-178177.60000110.3V47 T49 E55 A58 K59 R67V47-V65 WeakPolarHBondContact O-CA 3.23Å; T49-V65 HydrophobicContact CG2-CG1 3.99Å; E55-V65 HydrophobicContact CB-CG1 4.06Å; E55-V65 HydrophobicContact CB-CG2 4.47Å; E55-V65 HydrophobicContact CG-CB 4.33Å; E55-V65 HydrophobicContact CG-CG1 3.96Å; E55-V65 HydrophobicContact CG-CG2 4.08Å; A58-V65 HydrophobicContact CB-CG2 3.76Å; K59-V65 HydrophobicContact CG-CG2 4.14Å; V65-R67 HydrophobicContact CG1-CG 4.43Å
66H98.5Very high95.6Very high10 Ų1067.1 Ų67.15%0.04636%0.355CS..EExtended strand (participates in β ladder)trans-99.8113.1166.1172.389.3000108W46 V47 S48 T49 R68 E85 F86 N89W46-H66 HydrophobicContact CE3-CB 4.3Å; V47-H66 PolarHBondContact O-N 2.91Å; S48-H66 WeakPolarHBondContact CA-O 3.3Å; S48-H66 PolarHBondContact OG-CD2 3.25Å; T49-H66 PolarHBondContact N-O 2.88Å; H66-R68 PolarHBondContact O-N 2.81Å; H66-E85 IonicContact CD2-OE1 3.71Å; H66-E85 IonicContact CE1-OE1 3.68Å; H66-E85 IonicContact NE2-OE1 3.74Å; H66-E85 PolarHBondContact NE2-OE1 2.59Å; H66-F86 HydrophobicContact CB-CD2 3.81Å; H66-F86 HydrophobicContact CB-CE2 4.36Å; H66-F86 AromaticContact CG-CD2 3.84Å; H66-F86 AromaticContact ND1-CD2 3.94Å; H66-N89 PolarHBondContact CE1-ND2 2.89Å; H66-N89 VanDerWaalsContact CE1-ND2 3.31Å
67R98.1Very high95.3Very high116 Ų11662.7 Ų62.744%0.43834%0.339SS..EExtended strand (participates in β ladder)trans-77.7103.2172.8-70.9-60.8-67.1-112.16.3108.6T49 D52 E55 V65T49-R67 WeakPolarHBondContact O-CA 3.26Å; D52-R67 IonicContact OD1-CZ 3.18Å; D52-R67 VanDerWaalsContact OD1-CZ 3.26Å; D52-R67 IonicContact OD1-NH1 3.63Å; D52-R67 PolarHBondContact OD1-NH1 3.29Å; D52-R67 IonicContact OD1-NH2 2.68Å; D52-R67 PolarHBondContact OD1-NH2 3.08Å; E55-R67 VanDerWaalsContact OE2-CD 3.31Å; E55-R67 WeakPolarHBondContact OE2-CD 3.09Å; E55-R67 IonicContact OE2-CZ 3.81Å; E55-R67 IonicContact OE2-NE 3.98Å; E55-R67 IonicContact OE2-NH1 3.96Å; E55-R67 PolarHBondContact OE2-NH1 3.18Å; V65-R67 HydrophobicContact CG1-CG 4.43Å
68R96.4Very high95.2Very high20 Ų2063.7 Ų63.78%0.07535%0.347CS..  trans-81.1154-176.176.4-167-175.7147.812.5111.8R9 S48 T49 D50 H66 V72 S73 E85R9-R68 VanDerWaalsContact CA-NH2 3.33Å; S48-R68 WeakPolarHBondContact OG-CB 3.47Å; S48-R68 WeakPolarHBondContact OG-CD 3.24Å; T49-R68 PolarHBondContact O-N 3.05Å; D50-R68 HydrophobicContact CB-CG 4.24Å; D50-R68 IonicContact OD1-NH2 2.71Å; D50-R68 IonicContact OD2-CZ 3.88Å; D50-R68 IonicContact OD2-NE 3.26Å; D50-R68 IonicContact OD2-NH2 2.66Å; D50-R68 PolarHBondContact OD2-NH2 3.45Å; H66-R68 PolarHBondContact O-N 2.81Å; R68-V72 HydrophobicContact CB-CG2 3.87Å; R68-V72 HydrophobicContact CG-CG2 4.17Å; R68-S73 WeakPolarHBondContact CG-OG 3.42Å; R68-S73 PolarHBondContact NE-OG 2.73Å; R68-S73 VanDerWaalsContact NE-OG 3.07Å; R68-S73 PolarHBondContact NH2-OG 2.84Å; R68-E85 WeakPolarHBondContact CA-OE1 3.44Å; R68-E85 VanDerWaalsContact CB-OE1 3.27Å; R68-E85 WeakPolarHBondContact CB-OE1 3.39Å
69S96.7Very high95.1Very high28 Ų2866 Ų6620%0.19636%0.362CS..  trans-72.3159.3-178.176.20000112.8E71 V72 S73 E85S69-E71 WeakPolarHBondContact CB-OE2 2.88Å; S69-E71 PolarHBondContact O-N 2.87Å; S69-E71 PolarHBondContact OG-N 2.9Å; S69-E71 PolarHBondContact OG-OE2 2.93Å; S69-E71 VanDerWaalsContact OG-OE2 3.09Å; S69-V72 PolarHBondContact O-N 2.92Å; S69-V72 PolarHBondContact OG-N 2.99Å; S69-S73 WeakPolarHBondContact O-CB 3.36Å; S69-S73 PolarHBondContact O-N 3.2Å; S69-S73 PolarHBondContact O-OG 3.23Å; S69-E85 WeakPolarHBondContact CB-OE2 3.36Å; S69-E85 PolarHBondContact N-OE1 3.41Å; S69-E85 PolarHBondContact N-OE2 2.69Å; S69-E85 PolarHBondContact OG-OE2 2.77Å
70P94.1Very high95Very high98 Ų9861 Ų6164%0.63634%0.343SS*.SBendtrans-57-29.9169.4-25.435.8000113.5V72 S73P70-V72 PolarHBondContact O-N 3.49Å; P70-S73 PolarHBondContact O-N 3.06Å
71E94.6Very high95Very high118 Ų11859.6 Ų59.655%0.55133%0.328SS*.G310 helixtrans-64.1-41.4-176.7-68.465.5-144.600112.1S69 S73 S77S69-E71 WeakPolarHBondContact CB-OE2 2.88Å; S69-E71 PolarHBondContact O-N 2.87Å; S69-E71 PolarHBondContact OG-N 2.9Å; S69-E71 PolarHBondContact OG-OE2 2.93Å; S69-E71 VanDerWaalsContact OG-OE2 3.09Å; E71-S73 VanDerWaalsContact C-N 3.32Å; E71-S77 PolarHBondContact O-OG 3.06Å
72V94.4Very high95.1Very high15 Ų1556.8 Ų56.89%0.09132%0.318CS..G310 helixtrans-92.37.5176.9-56.10000113.1R68 S69 P70 S77 E81 T82 E85R68-V72 HydrophobicContact CB-CG2 3.87Å; R68-V72 HydrophobicContact CG-CG2 4.17Å; S69-V72 PolarHBondContact O-N 2.92Å; S69-V72 PolarHBondContact OG-N 2.99Å; P70-V72 PolarHBondContact O-N 3.49Å; V72-S77 WeakPolarHBondContact O-CB 3.2Å; V72-E81 HydrophobicContact CG1-CB 4.32Å; V72-T82 HydrophobicContact CB-CG2 4.41Å; V72-T82 HydrophobicContact CG2-CG2 4.07Å; V72-T82 PolarHBondContact O-OG1 2.92Å; V72-E85 HydrophobicContact CG1-CB 4.27Å; V72-E85 VanDerWaalsContact CG2-OE2 3.23Å; V72-E85 WeakPolarHBondContact CG2-OE2 3.24Å
73S91.3Very high95.2Very high16 Ų1653.6 Ų53.611%0.11229%0.285CS..G310 helixtrans-100.6-3.2179.7-660000113.8R9 D50 R68 S69 P70 E71R9-S73 WeakPolarHBondContact CD-O 3.48Å; R9-S73 PolarHBondContact NH1-O 3.42Å; D50-S73 WeakPolarHBondContact OD2-CB 3.41Å; D50-S73 PolarHBondContact OD2-OG 2.66Å; R68-S73 WeakPolarHBondContact CG-OG 3.42Å; R68-S73 PolarHBondContact NE-OG 2.73Å; R68-S73 VanDerWaalsContact NE-OG 3.07Å; R68-S73 PolarHBondContact NH2-OG 2.84Å; S69-S73 WeakPolarHBondContact O-CB 3.36Å; S69-S73 PolarHBondContact O-N 3.2Å; S69-S73 PolarHBondContact O-OG 3.23Å; P70-S73 PolarHBondContact O-N 3.06Å; E71-S73 VanDerWaalsContact C-N 3.32Å
74K90.3Very high95.2Very high121 Ų12154 Ų5453%0.52629%0.286SS..SBendtrans-72.2156.9-176.6-55.9173.8-178.4169.20111.7R9 T76 S77R9-K74 PolarHBondContact NH1-O 3.19Å; K74-T76 PolarHBondContact O-N 3.31Å; K74-T76 VanDerWaalsContact O-N 3.17Å; K74-S77 WeakPolarHBondContact CB-OG 3.24Å; K74-S77 PolarHBondContact N-OG 3.14Å; K74-S77 VanDerWaalsContact N-OG 3.13Å; K74-S77 WeakPolarHBondContact O-CB 3.33Å; K74-S77 PolarHBondContact O-N 2.67Å; K74-S77 PolarHBondContact O-OG 3.24Å
75D86Confident95.2Very high89 Ų8950.2 Ų50.248%0.47627%0.269SS..THydrogen-bonded Turntrans-61.7-21.8176.2-86.1-21.9000114.1R9 K13R9-D75 IonicContact CZ-OD1 3.5Å; R9-D75 IonicContact NE-OD1 3.76Å; R9-D75 IonicContact NH1-OD1 3.39Å; R9-D75 IonicContact NH2-OD1 2.76Å; R9-D75 PolarHBondContact NH2-OD1 3Å; K13-D75 WeakPolarHBondContact CE-OD1 3.4Å; K13-D75 WeakPolarHBondContact CE-OD2 3.11Å; K13-D75 IonicContact NZ-OD2 2.8Å
76T88.2Confident95.2Very high124 Ų12448.8 Ų48.876%0.76126%0.261SS*.THydrogen-bonded Turntrans-94.4-9.917755.80000113.1K74K74-T76 PolarHBondContact O-N 3.31Å; K74-T76 VanDerWaalsContact O-N 3.17Å
77S91.1Very high95.2Very high24 Ų2448.3 Ų48.317%0.16826%0.259CS..  trans-68.8133.2178.9-54.20000109.9E71 V72 K74 E81E71-S77 PolarHBondContact O-OG 3.06Å; V72-S77 WeakPolarHBondContact O-CB 3.2Å; K74-S77 WeakPolarHBondContact CB-OG 3.24Å; K74-S77 PolarHBondContact N-OG 3.14Å; K74-S77 VanDerWaalsContact N-OG 3.13Å; K74-S77 WeakPolarHBondContact O-CB 3.33Å; K74-S77 PolarHBondContact O-N 2.67Å; K74-S77 PolarHBondContact O-OG 3.24Å; S77-E81 WeakPolarHBondContact CA-OE2 3.42Å
78S94.9Very high95.2Very high48 Ų4849.3 Ų49.334%0.33626%0.262SS..  trans-78.2159.2176.668.60000111.7V80 E81 T82S78-V80 VanDerWaalsContact C-N 3.25Å; S78-V80 PolarHBondContact O-N 2.98Å; S78-E81 PolarHBondContact N-OE2 3.19Å; S78-E81 WeakPolarHBondContact OG-CB 3.43Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.26Å; S78-E81 PolarHBondContact OG-N 3.02Å; S78-E81 VanDerWaalsContact OG-N 3.1Å; S78-E81 PolarHBondContact OG-OE2 2.9Å; S78-T82 PolarHBondContact O-N 2.91Å; S78-T82 PolarHBondContact O-OG1 3.43Å
79S96Very high95.3Very high47 Ų4753.6 Ų53.633%0.32929%0.287SS..Hα-helixtrans-62.4-37.8171.3-60.60000110.9T82 I83S79-T82 PolarHBondContact O-N 2.79Å; S79-I83 WeakPolarHBondContact O-CD1 3.36Å; S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.34Å
80V97.9Very high95.4Very high20 Ų2052.9 Ų52.912%0.12128%0.281CS..Hα-helixtrans-59.5-48.7179.4177.50000111.3S78 T82 I83 Q84 I182 L188S78-V80 VanDerWaalsContact C-N 3.25Å; S78-V80 PolarHBondContact O-N 2.98Å; V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 2.97Å; V80-I83 PolarHBondContact O-N 3.16Å; V80-Q84 HydrophobicContact CG1-CG 4.34Å; V80-Q84 WeakPolarHBondContact O-CG 3.32Å; V80-Q84 PolarHBondContact O-N 2.95Å; V80-I182 HydrophobicContact CG1-CG2 4.47Å; V80-L188 HydrophobicContact CG2-CD2 4.08Å; V80-L188 HydrophobicContact CG2-CG 3.87Å
81E97.8Very high95.6Very high85 Ų8553.3 Ų53.340%0.39728%0.282SS..Hα-helixtrans-59.4-41.9178.6-73.5163.6137.900112.1V72 S77 S78 Q84 E85V72-E81 HydrophobicContact CG1-CB 4.32Å; S77-E81 WeakPolarHBondContact CA-OE2 3.42Å; S78-E81 PolarHBondContact N-OE2 3.19Å; S78-E81 WeakPolarHBondContact OG-CB 3.43Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.26Å; S78-E81 PolarHBondContact OG-N 3.02Å; S78-E81 VanDerWaalsContact OG-N 3.1Å; S78-E81 PolarHBondContact OG-OE2 2.9Å; E81-Q84 PolarHBondContact O-N 3.34Å; E81-E85 PolarHBondContact O-N 3.43Å
82T97.9Very high95.7Very high4 Ų451.6 Ų51.63%0.02527%0.274CS..Hα-helixtrans-66.1-40.2178.5-500000111.4L7 V72 S78 S79 V80 E85 F86L7-T82 HydrophobicContact CD1-CG2 4.16Å; L7-T82 HydrophobicContact CD2-CG2 3.65Å; L7-T82 HydrophobicContact CG-CG2 4.43Å; V72-T82 HydrophobicContact CB-CG2 4.41Å; V72-T82 HydrophobicContact CG2-CG2 4.07Å; V72-T82 PolarHBondContact O-OG1 2.92Å; S78-T82 PolarHBondContact O-N 2.91Å; S78-T82 PolarHBondContact O-OG1 3.43Å; S79-T82 PolarHBondContact O-N 2.79Å; V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 2.97Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-F86 PolarHBondContact O-N 3.47Å; T82-F86 VanDerWaalsContact O-N 3.11Å
83I98.6Very high95.9Very high0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-68.3-40.7177.6-67162.3000110.5L5 L7 S79 V80 E85 F86 L87 V96 H98 I182 L188L5-I83 HydrophobicContact CD2-CB 4.39Å; L5-I83 HydrophobicContact CD2-CG1 3.84Å; L5-I83 HydrophobicContact CD2-CG2 4.32Å; L7-I83 HydrophobicContact CD1-CD1 4.43Å; L7-I83 HydrophobicContact CD1-CG1 4.16Å; L7-I83 HydrophobicContact CD2-CG1 4.39Å; S79-I83 WeakPolarHBondContact O-CD1 3.36Å; S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.34Å; V80-I83 PolarHBondContact O-N 3.16Å; I83-E85 VanDerWaalsContact C-N 3.35Å; I83-E85 PolarHBondContact O-N 2.96Å; I83-F86 WeakPolarHBondContact O-CB 3.24Å; I83-F86 PolarHBondContact O-N 2.96Å; I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.5Å; I83-L87 PolarHBondContact O-N 2.74Å; I83-V96 HydrophobicContact CG2-CB 4.45Å; I83-V96 HydrophobicContact CG2-CG1 4.09Å; I83-V96 HydrophobicContact CG2-CG2 4.34Å; I83-H98 HydrophobicContact CD1-CB 3.81Å; I83-I182 HydrophobicContact CG2-CD1 3.88Å; I83-I182 HydrophobicContact CG2-CG2 4.45Å; I83-L188 HydrophobicContact CD1-CD1 4.08Å; I83-L188 HydrophobicContact CD1-CD2 3.63Å
84Q98.7Very high96.3Very high17 Ų1754.4 Ų54.48%0.07929%0.287CS..Hα-helixtrans-61.9-41.3174.9-75.6175.7-4.900112V80 E81 L87 R88 I182 F183 N186V80-Q84 HydrophobicContact CG1-CG 4.34Å; V80-Q84 WeakPolarHBondContact O-CG 3.32Å; V80-Q84 PolarHBondContact O-N 2.95Å; E81-Q84 PolarHBondContact O-N 3.34Å; Q84-L87 PolarHBondContact O-N 3.35Å; Q84-R88 WeakPolarHBondContact O-CG 3.28Å; Q84-R88 PolarHBondContact O-N 3.09Å; Q84-I182 HydrophobicContact CG-CG2 3.61Å; Q84-I182 PolarHBondContact NE2-O 3.17Å; Q84-I182 VanDerWaalsContact NE2-O 3.08Å; Q84-F183 HydrophobicContact CB-CE1 4.01Å; Q84-F183 HydrophobicContact CB-CZ 4.38Å; Q84-F183 HydrophobicContact CG-CD1 4.2Å; Q84-F183 HydrophobicContact CG-CE1 3.96Å; Q84-F183 HydrophobicContact CG-CZ 4.46Å; Q84-N186 PolarHBondContact NE2-OD1 3.37Å
85E98.6Very high96.7Very high25 Ų2549.5 Ų49.512%0.11727%0.267CS..Hα-helixtrans-59.4-47.9173.2-176-170.294.900111.6H66 R68 S69 V72 E81 T82 I83 L87 R88 N89H66-E85 IonicContact CD2-OE1 3.71Å; H66-E85 IonicContact CE1-OE1 3.68Å; H66-E85 IonicContact NE2-OE1 3.74Å; H66-E85 PolarHBondContact NE2-OE1 2.59Å; R68-E85 WeakPolarHBondContact CA-OE1 3.44Å; R68-E85 VanDerWaalsContact CB-OE1 3.27Å; R68-E85 WeakPolarHBondContact CB-OE1 3.39Å; S69-E85 WeakPolarHBondContact CB-OE2 3.36Å; S69-E85 PolarHBondContact N-OE1 3.41Å; S69-E85 PolarHBondContact N-OE2 2.69Å; S69-E85 PolarHBondContact OG-OE2 2.77Å; V72-E85 HydrophobicContact CG1-CB 4.27Å; V72-E85 VanDerWaalsContact CG2-OE2 3.23Å; V72-E85 WeakPolarHBondContact CG2-OE2 3.24Å; E81-E85 PolarHBondContact O-N 3.43Å; T82-E85 PolarHBondContact O-N 3.46Å; I83-E85 VanDerWaalsContact C-N 3.35Å; I83-E85 PolarHBondContact O-N 2.96Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.83Å; E85-R88 PolarHBondContact O-N 3.33Å; E85-N89 PolarHBondContact O-N 3.17Å
86F98.8Very high97.3Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-55.5-47.6174.6166.8-99.3000111.7A3 L5 W46 H66 T82 I83 R88 N89 N90 V93 V96A3-F86 HydrophobicContact CB-CZ 4.47Å; L5-F86 HydrophobicContact CD1-CD1 4.33Å; L5-F86 HydrophobicContact CD1-CD2 4.06Å; L5-F86 HydrophobicContact CD1-CE1 4.49Å; L5-F86 HydrophobicContact CD1-CE2 4.25Å; L5-F86 HydrophobicContact CD1-CG 4.1Å; L5-F86 HydrophobicContact CD1-CZ 4.45Å; L5-F86 HydrophobicContact CD2-CB 4.19Å; L5-F86 HydrophobicContact CD2-CD1 3.63Å; L5-F86 HydrophobicContact CD2-CE1 4.18Å; L5-F86 HydrophobicContact CD2-CG 3.9Å; W46-F86 HydrophobicContact CB-CE2 4Å; W46-F86 HydrophobicContact CB-CZ 4.24Å; W46-F86 AromaticContact CD1-CE2 3.98Å; W46-F86 AromaticContact CD1-CZ 3.63Å; W46-F86 AromaticContact CD2-CE2 3.56Å; W46-F86 HydrophobicContact CD2-CE2 3.56Å; W46-F86 HydrophobicContact CD2-CZ 4Å; W46-F86 AromaticContact CE2-CE2 3.93Å; W46-F86 AromaticContact CE3-CE2 3.94Å; W46-F86 HydrophobicContact CE3-CE2 3.94Å; W46-F86 AromaticContact CG-CE2 3.6Å; W46-F86 HydrophobicContact CG-CE2 3.6Å; W46-F86 AromaticContact CG-CZ 3.72Å; W46-F86 HydrophobicContact CG-CZ 3.72Å; W46-F86 AromaticContact NE1-CZ 3.79Å; H66-F86 HydrophobicContact CB-CD2 3.81Å; H66-F86 HydrophobicContact CB-CE2 4.36Å; H66-F86 AromaticContact CG-CD2 3.84Å; H66-F86 AromaticContact ND1-CD2 3.94Å; T82-F86 PolarHBondContact O-N 3.47Å; T82-F86 VanDerWaalsContact O-N 3.11Å; I83-F86 WeakPolarHBondContact O-CB 3.24Å; I83-F86 PolarHBondContact O-N 2.96Å; F86-R88 VanDerWaalsContact C-N 3.35Å; F86-R88 PolarHBondContact O-N 3.32Å; F86-N89 PolarHBondContact O-N 3.01Å; F86-N89 VanDerWaalsContact O-N 3.16Å; F86-N90 VanDerWaalsContact CD2-ND2 3.31Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.05Å; F86-N90 HydrophobicContact CE2-CB 4.28Å; F86-N90 VanDerWaalsContact CE2-ND2 3.27Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.46Å; F86-N90 HydrophobicContact CZ-CB 4.18Å; F86-N90 PolarHBondContact O-N 2.87Å; F86-N90 PolarHBondContact O-ND2 3.49Å; F86-V93 HydrophobicContact CE1-CG1 4.36Å; F86-V93 HydrophobicContact CE1-CG2 4.18Å; F86-V93 HydrophobicContact CZ-CG2 4.19Å; F86-V96 HydrophobicContact CE1-CG2 4.36Å
87L98.7Very high97.8Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-65.8-32.5-179.7-76.1174000113.4I83 Q84 E85 N89 N90 V93 V96 R179 I182 F183I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.5Å; I83-L87 PolarHBondContact O-N 2.74Å; Q84-L87 PolarHBondContact O-N 3.35Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.83Å; L87-N89 VanDerWaalsContact C-N 3.27Å; L87-N89 PolarHBondContact O-N 2.83Å; L87-N90 CarbonylContact O-C 3.55Å; L87-N90 PolarHBondContact O-N 2.91Å; L87-V93 HydrophobicContact CD2-CB 3.84Å; L87-V93 HydrophobicContact CD2-CG1 3.7Å; L87-V96 HydrophobicContact CD1-CG2 4.15Å; L87-V96 HydrophobicContact CD2-CG2 3.51Å; L87-V96 HydrophobicContact CG-CG2 4Å; L87-R179 HydrophobicContact CD1-CG 4.34Å; L87-R179 HydrophobicContact CD2-CG 4.42Å; L87-R179 VanDerWaalsContact O-CZ 3.28Å; L87-R179 PolarHBondContact O-NH1 3.49Å; L87-R179 PolarHBondContact O-NH2 3.31Å; L87-I182 HydrophobicContact CD1-CB 4.3Å; L87-I182 HydrophobicContact CD1-CD1 3.76Å; L87-I182 HydrophobicContact CD1-CG2 4.06Å; L87-F183 HydrophobicContact CB-CE2 3.75Å; L87-F183 HydrophobicContact CB-CZ 3.81Å; L87-F183 HydrophobicContact CD1-CE2 3.98Å
88R98.6Very high98.1Very high136 Ų13638.6 Ų38.651%0.51320%0.202SC..Hα-helixtrans-64.7-34.8174-73.4178.4-164.11073.7111.7Q84 E85 F86 F183Q84-R88 WeakPolarHBondContact O-CG 3.28Å; Q84-R88 PolarHBondContact O-N 3.09Å; E85-R88 PolarHBondContact O-N 3.33Å; F86-R88 VanDerWaalsContact C-N 3.35Å; F86-R88 PolarHBondContact O-N 3.32Å; R88-F183 HydrophobicContact CG-CE1 4.19Å; R88-F183 HydrophobicContact CG-CZ 4.03Å
89N98Very high98.3Very high110 Ų11036.3 Ų36.359%0.58819%0.186SC*.Hα-helixtrans-87.1-14.6-179.6-67.5-4.3000113.7H66 E85 F86 L87H66-N89 PolarHBondContact CE1-ND2 2.89Å; H66-N89 VanDerWaalsContact CE1-ND2 3.31Å; E85-N89 PolarHBondContact O-N 3.17Å; F86-N89 PolarHBondContact O-N 3.01Å; F86-N89 VanDerWaalsContact O-N 3.16Å; L87-N89 VanDerWaalsContact C-N 3.27Å; L87-N89 PolarHBondContact O-N 2.83Å
90N98.4Very high98.3Very high14 Ų1436.6 Ų36.68%0.07518%0.182CC..  trans-129.176.4-178.7-57.5-92000108.3W46 F86 L87 E92 V93 R179W46-N90 VanDerWaalsContact CH2-OD1 3.23Å; W46-N90 WeakPolarHBondContact CH2-OD1 3.23Å; W46-N90 VanDerWaalsContact CZ2-OD1 3.31Å; W46-N90 WeakPolarHBondContact CZ2-OD1 3.47Å; F86-N90 VanDerWaalsContact CD2-ND2 3.31Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.05Å; F86-N90 HydrophobicContact CE2-CB 4.28Å; F86-N90 VanDerWaalsContact CE2-ND2 3.27Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.46Å; F86-N90 HydrophobicContact CZ-CB 4.18Å; F86-N90 PolarHBondContact O-N 2.87Å; F86-N90 PolarHBondContact O-ND2 3.49Å; L87-N90 CarbonylContact O-C 3.55Å; L87-N90 PolarHBondContact O-N 2.91Å; N90-E92 WeakPolarHBondContact CA-OE2 3.32Å; N90-E92 PolarHBondContact O-N 3.24Å; N90-V93 HydrophobicContact CB-CG2 3.87Å; N90-V93 PolarHBondContact O-N 3.44Å; N90-R179 PolarHBondContact O-NH1 3Å
91T98.1Very high98.1Very high106 Ų10635.8 Ų35.865%0.6518%0.178SC*.THydrogen-bonded Turntrans-69.9-16.6-17453.30000112.9V93T91-V93 PolarHBondContact O-N 3.46Å
92E98.3Very high97.6Very high83 Ų8333.9 Ų33.939%0.38817%0.172SC..THydrogen-bonded Turntrans-71.5-18.2174.877.9-78.1-169.400113H1 N90 D94H1-E92 WeakPolarHBondContact CB-O 3.23Å; N90-E92 WeakPolarHBondContact CA-OE2 3.32Å; N90-E92 PolarHBondContact O-N 3.24Å; E92-D94 PolarHBondContact O-N 2.83Å
93V98.7Very high97.2Very high0 Ų033.9 Ų33.90%017%0.172CC..  trans-81.7116.5-175.3-179.40000111.2A3 F86 L87 N90 T91 V95 V96 R179A3-V93 HydrophobicContact CB-CB 4.5Å; A3-V93 HydrophobicContact CB-CG1 3.65Å; A3-V93 HydrophobicContact CB-CG2 3.97Å; F86-V93 HydrophobicContact CE1-CG1 4.36Å; F86-V93 HydrophobicContact CE1-CG2 4.18Å; F86-V93 HydrophobicContact CZ-CG2 4.19Å; L87-V93 HydrophobicContact CD2-CB 3.84Å; L87-V93 HydrophobicContact CD2-CG1 3.7Å; N90-V93 HydrophobicContact CB-CG2 3.87Å; N90-V93 PolarHBondContact O-N 3.44Å; T91-V93 PolarHBondContact O-N 3.46Å; V93-V95 WeakPolarHBondContact CG1-O 3.49Å; V93-V96 HydrophobicContact CG1-CG2 3.73Å; V93-R179 WeakPolarHBondContact O-CD 3.16Å; V93-R179 PolarHBondContact O-NH1 3.47Å
94D98.3Very high96.7Very high90 Ų9034.3 Ų34.348%0.48118%0.175SC..  trans-96.3-31.5179.5-55.4-56.6000112.8H1 E92 R179H1-D94 PolarHBondContact N-OD2 3.13Å; H1-D94 PolarHBondContact O-N 3.36Å; E92-D94 PolarHBondContact O-N 2.83Å; D94-R179 WeakPolarHBondContact O-CB 3.39Å; D94-R179 PolarHBondContact O-N 2.89Å
95V98.6Very high96.2Very high18 Ų1836.5 Ų36.511%0.10919%0.192CC..EExtended strand (participates in β ladder)trans-133.9132.2-179.9178.50000109.2H1 V2 A3 V93 I118 I176H1-V95 PolarHBondContact O-N 3.29Å; V2-V95 WeakPolarHBondContact CA-O 3.22Å; V2-V95 HydrophobicContact CB-CB 4.48Å; V2-V95 HydrophobicContact CG1-CB 4.25Å; V2-V95 HydrophobicContact CG1-CG1 4.17Å; V2-V95 HydrophobicContact CG2-CB 4.09Å; A3-V95 PolarHBondContact N-O 3Å; V93-V95 WeakPolarHBondContact CG1-O 3.49Å; V95-I118 HydrophobicContact CG1-CG2 4.27Å; V95-I118 HydrophobicContact CG2-CG2 4.2Å; V95-I176 HydrophobicContact CG1-CG2 3.56Å
96V98.7Very high96Very high2 Ų235.9 Ų35.91%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-111.2124.7175.2176.10000109.3A3 L5 I83 F86 L87 V93 H98 I176 S177 I182A3-V96 WeakPolarHBondContact O-CA 3.2Å; L5-V96 HydrophobicContact CB-CG1 3.85Å; L5-V96 HydrophobicContact CD2-CG1 3.92Å; I83-V96 HydrophobicContact CG2-CB 4.45Å; I83-V96 HydrophobicContact CG2-CG1 4.09Å; I83-V96 HydrophobicContact CG2-CG2 4.34Å; F86-V96 HydrophobicContact CE1-CG2 4.36Å; L87-V96 HydrophobicContact CD1-CG2 4.15Å; L87-V96 HydrophobicContact CD2-CG2 3.51Å; L87-V96 HydrophobicContact CG-CG2 4Å; V93-V96 HydrophobicContact CG1-CG2 3.73Å; V96-H98 HydrophobicContact CG1-CB 4.41Å; V96-I176 VanDerWaalsContact O-CA 3.29Å; V96-I176 WeakPolarHBondContact O-CA 3.43Å; V96-S177 PolarHBondContact N-O 2.84Å; V96-S177 PolarHBondContact O-N 3.39Å; V96-I182 HydrophobicContact CB-CD1 4.32Å
97C98.8Very high95.9Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-96.795.4161.6-178.30000108.2A3 A4 L5 F42 I99 Y175 I176A3-C97 PolarHBondContact O-N 2.87Å; A4-C97 CarbonylContact C-O 3.59Å; A4-C97 WeakPolarHBondContact CA-O 3.42Å; L5-C97 PolarHBondContact N-O 3.31Å; F42-C97 HydrophobicContact CE1-CB 3.46Å; F42-C97 VanDerWaalsContact CE1-CB 3.46Å; F42-C97 HydrophobicContact CZ-CB 3.89Å; C97-I99 PolarHBondContact O-N 3.32Å; C97-Y175 CarbonylContact C-O 3.45Å; C97-Y175 WeakPolarHBondContact CA-O 3.43Å; C97-I176 HydrophobicContact CB-CG1 4.03Å
98H98.7Very high95.8Very high5 Ų541.8 Ų41.82%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-74.8111.4172.6171.1-132.6000109.5L5 L7 I83 V96 F174 Y175L5-H98 CarbonylContact O-C 3.5Å; L5-H98 VanDerWaalsContact O-CA 3.3Å; L5-H98 WeakPolarHBondContact O-CA 3.49Å; L7-H98 WeakPolarHBondContact CD1-NE2 2.97Å; L7-H98 WeakPolarHBondContact CG-NE2 3Å; I83-H98 HydrophobicContact CD1-CB 3.81Å; V96-H98 HydrophobicContact CG1-CB 4.41Å; H98-F174 CarbonylContact O-C 3.54Å; H98-F174 WeakPolarHBondContact O-CA 3.47Å; H98-Y175 PolarHBondContact N-O 2.84Å; H98-Y175 AromaticContact ND1-CD2 3.93Å; H98-Y175 PolarHBondContact O-N 3.45Å
99I98.5Very high95.8Very high1 Ų136.8 Ų36.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-107.6126.2-179.2-55.8170.6000108.9A4 L5 V6 V32 A36 F42 C97 L106 L111 F174A4-I99 HydrophobicContact CB-CD1 4.12Å; L5-I99 PolarHBondContact O-N 2.83Å; V6-I99 HydrophobicContact CG2-CB 4.24Å; V32-I99 HydrophobicContact CB-CG2 3.72Å; V32-I99 HydrophobicContact CG1-CG2 3.98Å; V32-I99 HydrophobicContact CG2-CG2 4.33Å; A36-I99 HydrophobicContact CB-CD1 4.01Å; F42-I99 HydrophobicContact CZ-CD1 4.46Å; C97-I99 PolarHBondContact O-N 3.32Å; I99-L106 HydrophobicContact CD1-CD2 4.33Å; I99-L106 HydrophobicContact CG1-CD2 4.48Å; I99-L106 HydrophobicContact CG2-CD2 3.4Å; I99-L106 VanDerWaalsContact CG2-CD2 3.4Å; I99-L111 HydrophobicContact CD1-CD1 3.95Å; I99-L111 HydrophobicContact CD1-CD2 4.13Å; I99-L111 HydrophobicContact CG1-CD2 4.41Å; I99-F174 HydrophobicContact CG1-CB 4.27Å
100Q95.9Very high95.8Very high52 Ų5233 Ų3324%0.24318%0.183CC..  trans-88.8124.4178.6-52.3-168.3-79.600110.4T102 S103 G172 S173Q100-T102 PolarHBondContact O-N 3.03Å; Q100-S103 PolarHBondContact O-N 3.16Å; Q100-S103 VanDerWaalsContact O-N 3.13Å; Q100-G172 WeakPolarHBondContact CB-O 2.82Å; Q100-G172 VanDerWaalsContact OE1-C 3.24Å; Q100-G172 PolarHBondContact OE1-O 3.43Å; Q100-S173 PolarHBondContact N-O 3.25Å
101A92.9Very high95.8Very high4 Ų432.3 Ų32.33%0.03318%0.179CC..THydrogen-bonded Turntrans-59.1-18.4178.100000113.5V6 L28 L29 V32 S103V6-A101 HydrophobicContact CG1-CB 4.12Å; L28-A101 VanDerWaalsContact CD1-O 3.26Å; L28-A101 WeakPolarHBondContact CD1-O 3.3Å; L28-A101 HydrophobicContact CG-CB 4.36Å; L28-A101 WeakPolarHBondContact CG-O 3.33Å; L29-A101 HydrophobicContact CB-CB 4.3Å; V32-A101 HydrophobicContact CG2-CB 4.2Å; A101-S103 PolarHBondContact O-N 3.42Å; A101-S103 VanDerWaalsContact O-N 3.16Å
102T88.6Confident95.8Very high45 Ų4530.7 Ų30.728%0.27616%0.164SC..THydrogen-bonded Turntrans-75.713.8175.647.10000114.6Q100 M207Q100-T102 PolarHBondContact O-N 3.03Å; T102-M207 WeakPolarHBondContact O-CE 3.11Å
103S88.6Confident95.8Very high4 Ų432.8 Ų32.83%0.02817%0.172CC..  trans-131.767.4176.3-58.10000109.5Q100 A101 C105 L106 G172Q100-S103 PolarHBondContact O-N 3.16Å; Q100-S103 VanDerWaalsContact O-N 3.13Å; A101-S103 PolarHBondContact O-N 3.42Å; A101-S103 VanDerWaalsContact O-N 3.16Å; S103-C105 PolarHBondContact O-N 3.02Å; S103-L106 WeakPolarHBondContact O-CB 3.27Å; S103-L106 PolarHBondContact O-N 3.33Å; S103-G172 PolarHBondContact OG-O 3.29Å
104P88.6Confident95.8Very high8 Ų832.8 Ų32.85%0.05217%0.172CC..THydrogen-bonded Turntrans-69.7-12-170.330.1-37.3000114L23 L28 W31 L106 L206 M207L23-P104 HydrophobicContact CD2-CB 3.8Å; L23-P104 HydrophobicContact CD2-CG 3.59Å; L28-P104 HydrophobicContact CD1-CB 4.15Å; L28-P104 HydrophobicContact CD1-CG 4.28Å; W31-P104 HydrophobicContact CB-CB 3.77Å; W31-P104 HydrophobicContact CD2-CB 4.39Å; W31-P104 HydrophobicContact CG-CB 3.83Å; P104-L106 PolarHBondContact O-N 2.8Å; P104-L206 HydrophobicContact CG-CD2 3.96Å; P104-M207 VanDerWaalsContact CD-CE 3.42Å; P104-M207 HydrophobicContact CG-CE 4.04Å
105C89.1Confident95.8Very high64 Ų6428.5 Ų28.543%0.43215%0.149SC..THydrogen-bonded Turntrans-81.87.5176.2-61.80000113.3S103 H107 E201S103-C105 PolarHBondContact O-N 3.02Å; C105-H107 PolarHBondContact O-N 3.37Å; C105-E201 HydrophobicContact CB-CG 4.22Å
106L93.8Very high95.7Very high11 Ų1132.3 Ų32.36%0.05816%0.164CC..  trans-60.8123.8177-175.762.7000110.8V32 A35 I99 S103 P104 H110 L111 F174 M198V32-L106 HydrophobicContact CG1-CD2 4.49Å; A35-L106 HydrophobicContact CB-CB 4.27Å; A35-L106 HydrophobicContact CB-CD2 4.23Å; A35-L106 HydrophobicContact CB-CG 4.02Å; A35-L106 VanDerWaalsContact CB-O 3.23Å; A35-L106 WeakPolarHBondContact CB-O 3.22Å; I99-L106 HydrophobicContact CD1-CD2 4.33Å; I99-L106 HydrophobicContact CG1-CD2 4.48Å; I99-L106 HydrophobicContact CG2-CD2 3.4Å; I99-L106 VanDerWaalsContact CG2-CD2 3.4Å; S103-L106 WeakPolarHBondContact O-CB 3.27Å; S103-L106 PolarHBondContact O-N 3.33Å; P104-L106 PolarHBondContact O-N 2.8Å; L106-H110 HydrophobicContact CD1-CB 4.05Å; L106-L111 HydrophobicContact CD1-CD2 4.28Å; L106-L111 HydrophobicContact CD1-CG 4.31Å; L106-L111 HydrophobicContact CD2-CD1 4.05Å; L106-L111 HydrophobicContact CD2-CD2 4.13Å; L106-L111 HydrophobicContact CD2-CG 4.24Å; L106-L111 HydrophobicContact CG-CD1 4.46Å; L106-L111 HydrophobicContact CG-CG 4.39Å; L106-F174 HydrophobicContact CD1-CD1 3.82Å; L106-F174 HydrophobicContact CD1-CE1 4.17Å; L106-M198 HydrophobicContact CD1-CE 4.46Å
107H95.5Very high95.7Very high104 Ų10433.8 Ų33.848%0.48117%0.171SC..  trans-101.9144.5177.5-169.2-93.1000110.7C105 S109 H110C105-H107 PolarHBondContact O-N 3.37Å; H107-S109 WeakPolarHBondContact ND1-CB 3.48Å; H107-S109 PolarHBondContact ND1-N 2.95Å; H107-S109 VanDerWaalsContact ND1-N 3.18Å; H107-S109 PolarHBondContact ND1-OG 3.03Å; H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.14Å; H107-H110 PolarHBondContact N-ND1 3.07Å; H107-H110 WeakPolarHBondContact O-CB 3.4Å; H107-H110 PolarHBondContact O-N 2.72Å
108P97.7Very high95.7Very high20 Ų2034.7 Ų34.713%0.1318%0.176CC..Hα-helixtrans-49.7-38.8177-32.137.3000114.5D38 H110 L111 Q112D38-P108 HydrophobicContact CB-CB 4.23Å; D38-P108 HydrophobicContact CB-CG 3.55Å; P108-H110 VanDerWaalsContact C-N 3.26Å; P108-H110 PolarHBondContact O-N 3.39Å; P108-L111 PolarHBondContact O-N 3.31Å; P108-L111 VanDerWaalsContact O-N 3.16Å; P108-Q112 WeakPolarHBondContact O-CG 3.08Å; P108-Q112 PolarHBondContact O-N 3.35Å
109S97.7Very high95.5Very high32 Ų3239.1 Ų39.122%0.22420%0.198CC..Hα-helixtrans-65.1-25.8179.967.40000113.9H107 K113H107-S109 WeakPolarHBondContact ND1-CB 3.48Å; H107-S109 PolarHBondContact ND1-N 2.95Å; H107-S109 VanDerWaalsContact ND1-N 3.18Å; H107-S109 PolarHBondContact ND1-OG 3.03Å; H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.14Å; S109-K113 VanDerWaalsContact O-CG 3.32Å; S109-K113 WeakPolarHBondContact O-CG 3.4Å; S109-K113 PolarHBondContact O-N 3.18Å; S109-K113 VanDerWaalsContact O-N 3.1Å
110H97.8Very high95.4Very high30 Ų3045.4 Ų45.414%0.13923%0.227CC..Hα-helixtrans-66.1-46.4173.1-57.6151.8000110.2L106 H107 P108 K113 A114 F174 F196L106-H110 HydrophobicContact CD1-CB 4.05Å; H107-H110 PolarHBondContact N-ND1 3.07Å; H107-H110 WeakPolarHBondContact O-CB 3.4Å; H107-H110 PolarHBondContact O-N 2.72Å; P108-H110 VanDerWaalsContact C-N 3.26Å; P108-H110 PolarHBondContact O-N 3.39Å; H110-K113 PolarHBondContact O-N 3.48Å; H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.29Å; H110-F174 HydrophobicContact CB-CE1 4.2Å; H110-F196 HydrophobicContact CB-CE1 3.82Å; H110-F196 HydrophobicContact CB-CZ 4.38Å; H110-F196 AromaticContact CD2-CE1 3.88Å
111L98.4Very high95.4Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-65.3-41.9178.6-62.7176.3000111.5A35 A36 F42 I99 L106 P108 L115 F174A35-L111 HydrophobicContact CB-CD1 4.49Å; A36-L111 HydrophobicContact CB-CD1 4.32Å; F42-L111 HydrophobicContact CE2-CB 4.46Å; F42-L111 HydrophobicContact CE2-CD1 3.9Å; F42-L111 HydrophobicContact CZ-CB 4.47Å; F42-L111 HydrophobicContact CZ-CD1 4.22Å; F42-L111 HydrophobicContact CZ-CD2 4.47Å; I99-L111 HydrophobicContact CD1-CD1 3.95Å; I99-L111 HydrophobicContact CD1-CD2 4.13Å; I99-L111 HydrophobicContact CG1-CD2 4.41Å; L106-L111 HydrophobicContact CD1-CD2 4.28Å; L106-L111 HydrophobicContact CD1-CG 4.31Å; L106-L111 HydrophobicContact CD2-CD1 4.05Å; L106-L111 HydrophobicContact CD2-CD2 4.13Å; L106-L111 HydrophobicContact CD2-CG 4.24Å; L106-L111 HydrophobicContact CG-CD1 4.46Å; L106-L111 HydrophobicContact CG-CG 4.39Å; P108-L111 PolarHBondContact O-N 3.31Å; P108-L111 VanDerWaalsContact O-N 3.16Å; L111-L115 VanDerWaalsContact O-CB 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 2.87Å; L111-F174 HydrophobicContact CD2-CB 4.47Å; L111-F174 HydrophobicContact CD2-CD1 3.99Å; L111-F174 HydrophobicContact CD2-CE1 4.47Å; L111-F174 HydrophobicContact CD2-CG 4.21Å
112Q98.6Very high95.5Very high72 Ų7249 Ų4934%0.33626%0.258SS..Hα-helixtrans-57.3-52.2175.7-71.2169.4-16.100111.9S39 M41 P108 K116S39-Q112 PolarHBondContact O-NE2 3.24Å; M41-Q112 HydrophobicContact CG-CB 4.28Å; M41-Q112 HydrophobicContact CG-CG 3.64Å; M41-Q112 HydrophobicContact SD-CB 4.41Å; M41-Q112 HydrophobicContact SD-CG 3.99Å; P108-Q112 WeakPolarHBondContact O-CG 3.08Å; P108-Q112 PolarHBondContact O-N 3.35Å; Q112-K116 WeakPolarHBondContact O-CG 3.47Å; Q112-K116 PolarHBondContact O-N 2.77Å; Q112-K116 VanDerWaalsContact O-N 3.16Å
113K98.3Very high95.9Very high126 Ų12650 Ų5055%0.54826%0.258SS..Hα-helixtrans-66.1-44.8-178.7-69.2174.8-179.5-177.60111.9S109 H110 L115 K116 M117 F196S109-K113 VanDerWaalsContact O-CG 3.32Å; S109-K113 WeakPolarHBondContact O-CG 3.4Å; S109-K113 PolarHBondContact O-N 3.18Å; S109-K113 VanDerWaalsContact O-N 3.1Å; H110-K113 PolarHBondContact O-N 3.48Å; K113-L115 PolarHBondContact O-N 3.36Å; K113-K116 PolarHBondContact O-N 3.29Å; K113-M117 PolarHBondContact O-N 3.39Å; K113-F196 HydrophobicContact CB-CD2 4.33Å; K113-F196 HydrophobicContact CB-CE2 3.47Å; K113-F196 VanDerWaalsContact CB-CE2 3.47Å; K113-F196 HydrophobicContact CB-CZ 3.99Å; K113-F196 HydrophobicContact CD-CE2 4Å; K113-F196 HydrophobicContact CD-CZ 4.04Å; K113-F196 HydrophobicContact CG-CE2 4.4Å
114A98.3Very high96.3Very high0 Ų053.7 Ų53.70%027%0.274CS..Hα-helixtrans-66.8-35.4-179.400000112.8H110 M117 V126 F174 I176 F196H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.29Å; A114-M117 WeakPolarHBondContact O-CB 3.22Å; A114-M117 PolarHBondContact O-N 3.21Å; A114-V126 HydrophobicContact CB-CG1 4.13Å; A114-F174 HydrophobicContact CB-CE2 3.52Å; A114-F174 HydrophobicContact CB-CZ 3.5Å; A114-I176 HydrophobicContact CB-CD1 3.64Å; A114-F196 HydrophobicContact CB-CB 4.19Å; A114-F196 HydrophobicContact CB-CD2 4.2Å; A114-F196 HydrophobicContact CB-CG 4.08Å
115L98.3Very high96.8Very high0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-71.7-32.5176.2-78168.1000113.1V2 M41 F42 L111 K113 M117 I118 M119 I176V2-L115 HydrophobicContact CG1-CD2 3.71Å; M41-L115 HydrophobicContact CB-CD1 3.41Å; M41-L115 VanDerWaalsContact CB-CD1 3.41Å; M41-L115 HydrophobicContact CE-CB 3.94Å; M41-L115 HydrophobicContact CG-CD1 4.09Å; F42-L115 HydrophobicContact CD1-CD1 4.3Å; F42-L115 HydrophobicContact CE1-CD1 3.6Å; F42-L115 HydrophobicContact CE1-CD2 4.45Å; F42-L115 HydrophobicContact CE2-CD1 4.27Å; F42-L115 HydrophobicContact CZ-CD1 3.61Å; L111-L115 VanDerWaalsContact O-CB 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 2.87Å; K113-L115 PolarHBondContact O-N 3.36Å; L115-M117 PolarHBondContact O-N 2.8Å; L115-I118 PolarHBondContact O-N 2.92Å; L115-I118 VanDerWaalsContact O-N 3.09Å; L115-M119 HydrophobicContact CB-CE 4.03Å; L115-M119 HydrophobicContact CD2-CE 4.22Å; L115-M119 WeakPolarHBondContact O-CG 3.11Å; L115-M119 PolarHBondContact O-N 2.81Å; L115-I176 HydrophobicContact CD2-CD1 3.96Å; L115-I176 HydrophobicContact CD2-CG2 3.97Å; L115-I176 HydrophobicContact CG-CD1 4.03Å
116K98.1Very high97.3Very high99 Ų9950.3 Ų50.343%0.4325%0.251SS..Hα-helixtrans-59.6-36.3172.6-75.3-175.8174.9-159.10112.3Q112 K113 I118 M119 E120Q112-K116 WeakPolarHBondContact O-CG 3.47Å; Q112-K116 PolarHBondContact O-N 2.77Å; Q112-K116 VanDerWaalsContact O-N 3.16Å; K113-K116 PolarHBondContact O-N 3.29Å; K116-I118 PolarHBondContact O-N 3.08Å; K116-M119 PolarHBondContact O-N 2.74Å; K116-E120 HydrophobicContact CB-CG 4.5Å; K116-E120 WeakPolarHBondContact CG-OE1 3.35Å; K116-E120 WeakPolarHBondContact O-CA 3.06Å; K116-E120 VanDerWaalsContact O-CB 3.29Å; K116-E120 WeakPolarHBondContact O-CB 3.48Å; K116-E120 PolarHBondContact O-N 3.15Å
117M98.3Very high97.5Very high32 Ų3251.2 Ų51.216%0.15826%0.255CS..Hα-helixtrans-59.3-37.6175-60.8170.269.400111.9K113 A114 L115 D121 G122 Y123 V126 A194 F196K113-M117 PolarHBondContact O-N 3.39Å; A114-M117 WeakPolarHBondContact O-CB 3.22Å; A114-M117 PolarHBondContact O-N 3.21Å; L115-M117 PolarHBondContact O-N 2.8Å; M117-D121 WeakPolarHBondContact CA-OD2 3.46Å; M117-D121 CarbonylContact O-C 3.56Å; M117-D121 WeakPolarHBondContact O-CB 3.29Å; M117-D121 PolarHBondContact O-N 3.22Å; M117-G122 PolarHBondContact O-N 2.66Å; M117-Y123 HydrophobicContact CB-CD2 3.86Å; M117-Y123 HydrophobicContact CB-CE2 4.47Å; M117-Y123 HydrophobicContact CE-CD2 4.42Å; M117-Y123 HydrophobicContact CE-CE2 4.28Å; M117-Y123 WeakPolarHBondContact O-CD2 3.42Å; M117-Y123 PolarHBondContact O-N 2.85Å; M117-V126 HydrophobicContact CB-CG2 3.93Å; M117-V126 HydrophobicContact CE-CG1 4.28Å; M117-V126 HydrophobicContact CE-CG2 4.25Å; M117-V126 HydrophobicContact SD-CG1 4.03Å; M117-V126 HydrophobicContact SD-CG2 4.5Å; M117-A194 HydrophobicContact CE-CB 3.45Å; M117-A194 VanDerWaalsContact CE-CB 3.45Å; M117-F196 HydrophobicContact SD-CD2 4.26Å
118I97.3Very high97.6Very high20 Ų2046.2 Ų46.210%0.10323%0.232CC..Hα-helixtrans-72.9-48.7175.1-59.7-70.1000111V95 L115 K116 Y123 V126 I176V95-I118 HydrophobicContact CG1-CG2 4.27Å; V95-I118 HydrophobicContact CG2-CG2 4.2Å; L115-I118 PolarHBondContact O-N 2.92Å; L115-I118 VanDerWaalsContact O-N 3.09Å; K116-I118 PolarHBondContact O-N 3.08Å; I118-Y123 WeakPolarHBondContact CD1-O 3.32Å; I118-V126 HydrophobicContact CD1-CB 4.22Å; I118-V126 HydrophobicContact CD1-CG2 3.62Å; I118-V126 HydrophobicContact CG1-CB 4.5Å; I118-V126 HydrophobicContact CG1-CG2 4.01Å; I118-I176 HydrophobicContact CD1-CG2 4.2Å; I118-I176 HydrophobicContact CG1-CB 4.3Å; I118-I176 HydrophobicContact CG1-CG2 3.72Å
119M95Very high97.6Very high97 Ų9745.5 Ų45.548%0.47823%0.227SC..Hα-helixtrans-76.9-34.6-170-64.6173.5-171.800114V2 M41 L115 K116V2-M119 HydrophobicContact CB-CE 4.23Å; V2-M119 HydrophobicContact CG1-CE 4.3Å; V2-M119 HydrophobicContact CG2-CE 3.6Å; M41-M119 HydrophobicContact CE-CE 4.18Å; M41-M119 HydrophobicContact CE-SD 4.06Å; L115-M119 HydrophobicContact CB-CE 4.03Å; L115-M119 HydrophobicContact CD2-CE 4.22Å; L115-M119 WeakPolarHBondContact O-CG 3.11Å; L115-M119 PolarHBondContact O-N 2.81Å; K116-M119 PolarHBondContact O-N 2.74Å
120E96.1Very high97.5Very high133 Ų13344.3 Ų44.362%0.62122%0.218SC*.THydrogen-bonded Turntrans-105.4-44.3-172.9-58.3176.7-167.300111.1K116K116-E120 HydrophobicContact CB-CG 4.5Å; K116-E120 WeakPolarHBondContact CG-OE1 3.35Å; K116-E120 WeakPolarHBondContact O-CA 3.06Å; K116-E120 VanDerWaalsContact O-CB 3.29Å; K116-E120 WeakPolarHBondContact O-CB 3.48Å; K116-E120 PolarHBondContact O-N 3.15Å
121D95.9Very high97.4Very high86 Ų8646 Ų4646%0.4622%0.224SC..THydrogen-bonded Turntrans-92.2-4.7-175.3-52.4-39.3000113.6M117 Y123 K192M117-D121 WeakPolarHBondContact CA-OD2 3.46Å; M117-D121 CarbonylContact O-C 3.56Å; M117-D121 WeakPolarHBondContact O-CB 3.29Å; M117-D121 PolarHBondContact O-N 3.22Å; D121-Y123 VanDerWaalsContact C-N 3.34Å; D121-Y123 HydrophobicContact CB-CD2 3.7Å; D121-Y123 HydrophobicContact CB-CE2 3.7Å; D121-Y123 PolarHBondContact O-N 2.98Å; D121-K192 PolarHBondContact O-NZ 2.78Å
122G94.7Very high97.2Very high45 Ų4549.8 Ų49.846%0.46424%0.238SC..  trans67.429176.200000114.2M117 K192M117-G122 PolarHBondContact O-N 2.66Å; G122-K192 WeakPolarHBondContact O-CD 3.42Å
123Y98.1Very high96.9Very high68 Ų6848.8 Ų48.827%0.26723%0.233SC..  trans-67.2145.6168.6-72.7-78.9000110.6M117 I118 D121 V126 K192 A194M117-Y123 HydrophobicContact CB-CD2 3.86Å; M117-Y123 HydrophobicContact CB-CE2 4.47Å; M117-Y123 HydrophobicContact CE-CD2 4.42Å; M117-Y123 HydrophobicContact CE-CE2 4.28Å; M117-Y123 WeakPolarHBondContact O-CD2 3.42Å; M117-Y123 PolarHBondContact O-N 2.85Å; I118-Y123 WeakPolarHBondContact CD1-O 3.32Å; D121-Y123 VanDerWaalsContact C-N 3.34Å; D121-Y123 HydrophobicContact CB-CD2 3.7Å; D121-Y123 HydrophobicContact CB-CE2 3.7Å; D121-Y123 PolarHBondContact O-N 2.98Å; Y123-V126 HydrophobicContact CG-CG2 4.43Å; Y123-K192 HydrophobicContact CD1-CB 4.49Å; Y123-K192 HydrophobicContact CD1-CD 4.11Å; Y123-K192 HydrophobicContact CD1-CG 3.74Å; Y123-K192 WeakPolarHBondContact CD1-O 3.5Å; Y123-K192 HydrophobicContact CE1-CD 4.36Å; Y123-K192 HydrophobicContact CE1-CG 4.02Å; Y123-A194 HydrophobicContact CD1-CB 3.56Å; Y123-A194 HydrophobicContact CD2-CB 4.28Å; Y123-A194 HydrophobicContact CE1-CB 3.45Å; Y123-A194 VanDerWaalsContact CE1-CB 3.45Å; Y123-A194 HydrophobicContact CE2-CB 4.18Å; Y123-A194 HydrophobicContact CG-CB 4.01Å
124E97.6Very high96.8Very high80 Ų8047.1 Ų47.137%0.37423%0.227SC..SBendtrans-94.7-27.1177.7-66.5179.790.200112S177 S178 L181 G191 K192E124-S177 WeakPolarHBondContact O-CA 3.42Å; E124-S178 PolarHBondContact O-N 3.13Å; E124-L181 HydrophobicContact CB-CD1 3.81Å; E124-G191 VanDerWaalsContact OE2-CA 3.24Å; E124-G191 WeakPolarHBondContact OE2-CA 3.37Å; E124-K192 HydrophobicContact CG-CB 4.43Å; E124-K192 PolarHBondContact N-O 3.45Å; E124-K192 PolarHBondContact OE2-N 3.1Å
125S98.6Very high96.7Very high0 Ų050.3 Ų50.30%024%0.241CC..EExtended strand (participates in β ladder)trans-142.8138.9171.961.40000113.2I176 L188 G190 K192 V193 A194S125-I176 CarbonylContact C-O 3.52Å; S125-I176 WeakPolarHBondContact CA-O 3.41Å; S125-L188 WeakPolarHBondContact CB-O 3.23Å; S125-G190 PolarHBondContact OG-N 3.3Å; S125-G190 PolarHBondContact OG-O 3.22Å; S125-K192 PolarHBondContact N-O 2.92Å; S125-V193 WeakPolarHBondContact O-CA 3.17Å; S125-V193 WeakPolarHBondContact OG-CG2 3.29Å; S125-A194 PolarHBondContact O-N 2.78Å
126V98.8Very high96.6Very high1 Ų152.9 Ų52.91%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-136.7129176.3178.30000109.6A114 M117 I118 Y123 I176 A194 F196A114-V126 HydrophobicContact CB-CG1 4.13Å; M117-V126 HydrophobicContact CB-CG2 3.93Å; M117-V126 HydrophobicContact CE-CG1 4.28Å; M117-V126 HydrophobicContact CE-CG2 4.25Å; M117-V126 HydrophobicContact SD-CG1 4.03Å; M117-V126 HydrophobicContact SD-CG2 4.5Å; I118-V126 HydrophobicContact CD1-CB 4.22Å; I118-V126 HydrophobicContact CD1-CG2 3.62Å; I118-V126 HydrophobicContact CG1-CB 4.5Å; I118-V126 HydrophobicContact CG1-CG2 4.01Å; Y123-V126 HydrophobicContact CG-CG2 4.43Å; V126-I176 HydrophobicContact CB-CB 4.44Å; V126-I176 HydrophobicContact CB-CD1 4.48Å; V126-I176 PolarHBondContact N-O 2.93Å; V126-I176 PolarHBondContact O-N 2.97Å; V126-A194 VanDerWaalsContact CA-O 3.28Å; V126-A194 WeakPolarHBondContact CA-O 3.37Å; V126-A194 HydrophobicContact CG2-CB 4.33Å; V126-F196 HydrophobicContact CG1-CB 4.07Å
127F98.6Very high96.5Very high30 Ų3053 Ų5313%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-132.9153.2-179.863.1-84.3000112.3V129 E170 Y175 Q189 V193 A194 Y195 F196F127-V129 HydrophobicContact CD2-CG1 3.78Å; F127-V129 HydrophobicContact CE2-CG1 3.48Å; F127-V129 VanDerWaalsContact CE2-CG1 3.48Å; F127-V129 HydrophobicContact CZ-CG1 4.5Å; F127-E170 HydrophobicContact CD2-CG 3.76Å; F127-E170 HydrophobicContact CE2-CG 3.69Å; F127-Y175 HydrophobicContact CB-CD1 3.65Å; F127-Y175 HydrophobicContact CB-CE1 3.99Å; F127-Y175 HydrophobicContact CB-CG 4.42Å; F127-Q189 HydrophobicContact CB-CG 4.49Å; F127-Q189 HydrophobicContact CD1-CG 3.73Å; F127-Q189 HydrophobicContact CE1-CG 4.16Å; F127-Q189 HydrophobicContact CG-CG 4.18Å; F127-V193 HydrophobicContact CD1-CG2 4.18Å; F127-V193 HydrophobicContact CE1-CG2 3.69Å; F127-A194 WeakPolarHBondContact CD1-O 3.39Å; F127-A194 PolarHBondContact N-O 2.91Å; F127-Y195 CarbonylContact O-C 3.53Å; F127-Y195 WeakPolarHBondContact O-CA 3.32Å; F127-F196 PolarHBondContact O-N 2.75Å
128S98.2Very high96.4Very high0 Ų055.1 Ų55.10%026%0.259CS..EExtended strand (participates in β ladder)trans-83.9131.9-174.4580000113.1N171 S173 F174 F196S128-N171 VanDerWaalsContact CB-OD1 3.23Å; S128-N171 WeakPolarHBondContact CB-OD1 3.47Å; S128-N171 PolarHBondContact O-N 3.37Å; S128-N171 VanDerWaalsContact O-N 3.13Å; S128-N171 PolarHBondContact O-OD1 3.14Å; S128-N171 PolarHBondContact OG-OD1 2.76Å; S128-S173 WeakPolarHBondContact OG-CA 3.32Å; S128-S173 VanDerWaalsContact OG-CB 3.32Å; S128-S173 WeakPolarHBondContact OG-CB 3.42Å; S128-S173 PolarHBondContact OG-N 3.5Å; S128-S173 VanDerWaalsContact OG-N 3.12Å; S128-F174 PolarHBondContact N-O 3.12Å; S128-F174 VanDerWaalsContact N-O 3.08Å; S128-F174 PolarHBondContact OG-N 2.77Å; S128-F174 PolarHBondContact OG-O 3.39Å; S128-F196 WeakPolarHBondContact CA-O 3.16Å
129V97.5Very high96.3Very high4 Ų462.4 Ų62.42%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-126.2164.7177.6-60.20000111.6F127 L168 H169 Y195 F196 E197 M198F127-V129 HydrophobicContact CD2-CG1 3.78Å; F127-V129 HydrophobicContact CE2-CG1 3.48Å; F127-V129 VanDerWaalsContact CE2-CG1 3.48Å; F127-V129 HydrophobicContact CZ-CG1 4.5Å; V129-L168 HydrophobicContact CB-CB 4.38Å; V129-L168 HydrophobicContact CB-CD2 4.49Å; V129-L168 HydrophobicContact CG2-CB 4.36Å; V129-L168 HydrophobicContact CG2-CD1 4.31Å; V129-L168 HydrophobicContact CG2-CD2 3.83Å; V129-L168 HydrophobicContact CG2-CG 4.4Å; V129-H169 CarbonylContact C-O 3.52Å; V129-H169 WeakPolarHBondContact CA-O 3.49Å; V129-H169 WeakPolarHBondContact CB-O 3.46Å; V129-Y195 HydrophobicContact CG2-CD2 3.52Å; V129-Y195 HydrophobicContact CG2-CE2 4.39Å; V129-Y195 HydrophobicContact CG2-CG 3.94Å; V129-F196 PolarHBondContact N-O 2.96Å; V129-E197 HydrophobicContact CG2-CB 4.13Å; V129-M198 PolarHBondContact O-N 2.91Å
130V95.3Very high96.3Very high7 Ų760 Ų604%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-132.2143.6169.1650000109.1R132 H169 N171 P200V130-R132 HydrophobicContact CG1-CG 4.45Å; V130-H169 HydrophobicContact CG1-CB 4.48Å; V130-H169 PolarHBondContact N-O 2.96Å; V130-H169 PolarHBondContact O-N 3.49Å; V130-N171 HydrophobicContact CB-CB 4.21Å; V130-N171 HydrophobicContact CG1-CB 3.97Å; V130-P200 HydrophobicContact CG2-CB 3.81Å
131R95.4Very high96.2Very high67 Ų6761.5 Ų61.525%0.25329%0.288SS..EExtended strand (participates in β ladder)trans-86130176.6-174175.7-64.4-76.8-3.3112D165 E167 L168 E197R131-D165 WeakPolarHBondContact CD-O 3.21Å; R131-D165 WeakPolarHBondContact CG-O 3.39Å; R131-D165 PolarHBondContact NH1-O 3.38Å; R131-E167 CarbonylContact C-O 3.6Å; R131-E167 WeakPolarHBondContact CA-O 3.18Å; R131-L168 HydrophobicContact CB-CD2 4.06Å; R131-E197 WeakPolarHBondContact CB-OE1 3.48Å; R131-E197 WeakPolarHBondContact CD-OE1 3.48Å; R131-E197 IonicContact CZ-OE1 2.77Å; R131-E197 IonicContact CZ-OE2 2.87Å; R131-E197 IonicContact NE-OE1 3.5Å; R131-E197 PolarHBondContact NE-OE1 3.42Å; R131-E197 IonicContact NE-OE2 3.67Å; R131-E197 PolarHBondContact NE-OE2 2.79Å; R131-E197 IonicContact NH2-OE1 3.57Å; R131-E197 IonicContact NH2-OE2 2.77Å; R131-E197 PolarHBondContact NH2-OE2 2.86Å
132R93.6Very high96Very high78 Ų7867.8 Ų67.829%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-123149.1179-64.8-173.4173.2-87.9-9110.8V130 E134 G166 E167V130-R132 HydrophobicContact CG1-CG 4.45Å; R132-E134 HydrophobicContact CB-CG 4.33Å; R132-E134 WeakPolarHBondContact CD-OE1 3.34Å; R132-E134 IonicContact CZ-OE1 2.78Å; R132-E134 IonicContact NH1-OE1 3.5Å; R132-E134 PolarHBondContact NH1-OE1 3.45Å; R132-G166 CarbonylContact O-C 3.17Å; R132-G166 VanDerWaalsContact O-CA 3.22Å; R132-G166 WeakPolarHBondContact O-CA 3.41Å; R132-E167 PolarHBondContact N-O 3.04Å; R132-E167 PolarHBondContact O-N 2.85Å
133H94.2Very high95.8Very high51 Ų5169.6 Ų69.624%0.23633%0.33CS..  trans-120.154.4177.8-58.572.5000108.3R161 W164H133-R161 HydrophobicContact CB-CG 4.03Å; H133-R161 PolarHBondContact CD2-O 3.25Å; H133-R161 VanDerWaalsContact CD2-O 3.25Å; H133-R161 PolarHBondContact NE2-O 3.16Å; H133-W164 HydrophobicContact CB-CZ2 4.17Å; H133-W164 AromaticContact CD2-NE1 3.68Å
134E94.4Very high95.6Very high91 Ų9168.8 Ų68.843%0.42533%0.334SS..PPolyproline II helixtrans-103140.7-177-68.5168.5-16300109.2R132 N152R132-E134 HydrophobicContact CB-CG 4.33Å; R132-E134 WeakPolarHBondContact CD-OE1 3.34Å; R132-E134 IonicContact CZ-OE1 2.78Å; R132-E134 IonicContact NH1-OE1 3.5Å; R132-E134 PolarHBondContact NH1-OE1 3.45Å; E134-N152 PolarHBondContact O-ND2 2.81Å
135F96.5Very high95.3Very high67 Ų6768.6 Ų68.629%0.29435%0.354SS..PPolyproline II helixtrans-91.4122.4178.6-66.3-51000110.4N152 L153 P159 W164F135-N152 WeakPolarHBondContact CA-OD1 3.5Å; F135-L153 HydrophobicContact CB-CD1 4.14Å; F135-L153 HydrophobicContact CB-CD2 4Å; F135-L153 HydrophobicContact CD1-CB 3.79Å; F135-L153 HydrophobicContact CD1-CD1 3.84Å; F135-L153 HydrophobicContact CD1-CD2 4.25Å; F135-L153 HydrophobicContact CD1-CG 4.17Å; F135-L153 HydrophobicContact CD2-CD1 4.29Å; F135-L153 HydrophobicContact CE1-CB 4.07Å; F135-L153 HydrophobicContact CE1-CD1 4.31Å; F135-L153 HydrophobicContact CG-CD1 3.83Å; F135-L153 HydrophobicContact CG-CD2 4.38Å; F135-L153 HydrophobicContact CG-CG 4.49Å; F135-P159 HydrophobicContact CE1-CG 3.94Å; F135-P159 HydrophobicContact CZ-CG 4.17Å; F135-P159 WeakPolarHBondContact CZ-O 3.42Å; F135-W164 HydrophobicContact CE1-CZ2 4.36Å
136H96Very high95.2Very high54 Ų5473.3 Ų73.325%0.2538%0.376CS..PPolyproline II helixtrans-92.9135-179.9-63.7154.4000110.8I151 N152 E167 H169H136-I151 HydrophobicContact CB-CB 3.85Å; H136-I151 HydrophobicContact CB-CD1 4.18Å; H136-I151 HydrophobicContact CB-CG1 4.49Å; H136-I151 HydrophobicContact CB-CG2 4.28Å; H136-I151 PolarHBondContact O-N 3.48Å; H136-N152 PolarHBondContact N-OD1 2.86Å; H136-E167 IonicContact CE1-OE2 2.76Å; H136-E167 PolarHBondContact CE1-OE2 3.18Å; H136-E167 IonicContact ND1-OE2 3Å; H136-E167 PolarHBondContact ND1-OE2 3.13Å; H136-E167 VanDerWaalsContact ND1-OE2 3.13Å; H136-H169 AromaticContact CE1-CE1 3.71Å; H136-H169 AromaticContact CE1-NE2 3.98Å; H136-H169 AromaticContact NE2-CE1 3.86Å
137W96.8Very high94.9Very high101 Ų10180 Ų8038%0.38341%0.411SS..BIsolated β-bridgetrans-128.1140.9175.8-68.779.6000108.5E139 T148 E149 P150 L153 P155W137-E139 PolarHBondContact O-N 2.96Å; W137-T148 HydrophobicContact CB-CG2 3.9Å; W137-T148 HydrophobicContact CD2-CG2 4.4Å; W137-T148 HydrophobicContact CE3-CG2 3.79Å; W137-T148 HydrophobicContact CG-CG2 4.5Å; W137-E149 CarbonylContact C-O 3.49Å; W137-E149 WeakPolarHBondContact CA-O 3.44Å; W137-P150 HydrophobicContact CD2-CB 4.4Å; W137-P150 HydrophobicContact CE3-CB 4.11Å; W137-P150 HydrophobicContact CH2-CB 4.13Å; W137-P150 HydrophobicContact CZ2-CB 4.35Å; W137-P150 HydrophobicContact CZ3-CB 3.99Å; W137-P150 HydrophobicContact CZ3-CG 4.34Å; W137-L153 HydrophobicContact CZ2-CD1 4.04Å; W137-L153 HydrophobicContact CZ2-CD2 4.26Å; W137-L153 HydrophobicContact CZ2-CG 4.48Å; W137-P155 HydrophobicContact CH2-CB 4.21Å; W137-P155 HydrophobicContact CH2-CG 3.54Å; W137-P155 HydrophobicContact CZ2-CG 4.16Å; W137-P155 HydrophobicContact CZ3-CG 4.35Å
138K95.7Very high94.8Very high77 Ų7782.6 Ų82.634%0.33543%0.429SS..  trans-62126.5177.6-177.2-176.7169.1-164.20110V140 E146 T148 E149K138-V140 PolarHBondContact O-N 3.18Å; K138-E146 WeakPolarHBondContact CE-OE2 3.32Å; K138-E146 IonicContact NZ-OE2 2.95Å; K138-E146 PolarHBondContact NZ-OE2 3.11Å; K138-T148 WeakPolarHBondContact O-CG2 3.41Å; K138-E149 HydrophobicContact CB-CB 4.33Å; K138-E149 PolarHBondContact N-O 3.4Å
139E95.1Very high94.7Very high174 Ų17487.8 Ų87.881%0.81345%0.453SS*.  trans-66.3132.4172.8-173.3-179.3-168.200110.2W137W137-E139 PolarHBondContact O-N 2.96Å
140V95.2Very high94.7Very high45 Ų4589.9 Ų89.927%0.27347%0.467SS..  trans-114.5125.1177172.70000109.1K138 E146 L147K138-V140 PolarHBondContact O-N 3.18Å; V140-E146 HydrophobicContact CG1-CB 4.14Å; V140-E146 VanDerWaalsContact CG1-O 3.29Å; V140-E146 WeakPolarHBondContact CG1-O 3.23Å; V140-E146 HydrophobicContact CG2-CB 4.41Å; V140-L147 WeakPolarHBondContact CG2-O 3.03Å
141K94.1Very high94.7Very high166 Ų16695 Ų9572%0.72249%0.493SS*.  trans-72.6132.8175.4-67.3-176-178.5177.40110.2G143 S144K141-G143 PolarHBondContact O-N 3.44Å; K141-G143 VanDerWaalsContact O-N 3.14Å; K141-S144 WeakPolarHBondContact O-CB 3.48Å; K141-S144 PolarHBondContact O-N 3.28Å; K141-S144 PolarHBondContact O-OG 3.35Å
142K91.5Very high94.7Very high217 Ų21793.3 Ų93.394%0.94349%0.489SS*.THydrogen-bonded Turntrans-55122.8175.8-171177.2-178.4179.50110.1
143G91.6Very high94.7Very high83 Ų8390.4 Ų90.486%0.85648%0.479SS*.THydrogen-bonded Turntrans88.22179.500000115.9K141 G145K141-G143 PolarHBondContact O-N 3.44Å; K141-G143 VanDerWaalsContact O-N 3.14Å; G143-G145 VanDerWaalsContact C-N 3.29Å; G143-G145 PolarHBondContact O-N 3.39Å
144S92.7Very high94.8Very high52 Ų5292.1 Ų92.136%0.36449%0.493SS..SBendtrans-73.8-19.1175.666.90000113.8K141 E146K141-S144 WeakPolarHBondContact O-CB 3.48Å; K141-S144 PolarHBondContact O-N 3.28Å; K141-S144 PolarHBondContact O-OG 3.35Å; S144-E146 PolarHBondContact O-N 3.01Å; S144-E146 WeakPolarHBondContact OG-CB 3.12Å; S144-E146 PolarHBondContact OG-N 3.41Å
145G92.4Very high94.8Very high76 Ų7690.6 Ų90.678%0.78449%0.491SS*.  trans74.10.6-172.500000114G143G143-G145 VanDerWaalsContact C-N 3.29Å; G143-G145 PolarHBondContact O-N 3.39Å
146E94.8Very high94.8Very high99 Ų9991.9 Ų91.946%0.46351%0.514SS..PPolyproline II helixtrans-74.1154.1175-63.3178-139.600111.3K138 V140 S144K138-E146 WeakPolarHBondContact CE-OE2 3.32Å; K138-E146 IonicContact NZ-OE2 2.95Å; K138-E146 PolarHBondContact NZ-OE2 3.11Å; V140-E146 HydrophobicContact CG1-CB 4.14Å; V140-E146 VanDerWaalsContact CG1-O 3.29Å; V140-E146 WeakPolarHBondContact CG1-O 3.23Å; V140-E146 HydrophobicContact CG2-CB 4.41Å; S144-E146 PolarHBondContact O-N 3.01Å; S144-E146 WeakPolarHBondContact OG-CB 3.12Å; S144-E146 PolarHBondContact OG-N 3.41Å
147L94.1Very high94.8Very high141 Ų14195.9 Ų95.974%0.73854%0.536SS*.PPolyproline II helixtrans-100.6150.2173.9-60.8178000110.5V140V140-L147 WeakPolarHBondContact CG2-O 3.03Å
148T95.6Very high94.7Very high84 Ų8497 Ų9752%0.51554%0.54SS..PPolyproline II helixtrans-74128.1175.9-52.40000109.5W137 K138W137-T148 HydrophobicContact CB-CG2 3.9Å; W137-T148 HydrophobicContact CD2-CG2 4.4Å; W137-T148 HydrophobicContact CE3-CG2 3.79Å; W137-T148 HydrophobicContact CG-CG2 4.5Å; K138-T148 WeakPolarHBondContact O-CG2 3.41Å
149E96.4Very high94.6Very high109 Ų10995 Ų9551%0.50954%0.536SS..  trans-117.8142.4-177.5-69.1172.5170.100110.9W137 K138W137-E149 CarbonylContact C-O 3.49Å; W137-E149 WeakPolarHBondContact CA-O 3.44Å; K138-E149 HydrophobicContact CB-CB 4.33Å; K138-E149 PolarHBondContact N-O 3.4Å
150P96.8Very high94.6Very high49 Ų4993.9 Ų93.932%0.31852%0.524SS..BIsolated β-bridgetrans-71.9139.1173.732.4-35.1000110.3W137 L153 P155W137-P150 HydrophobicContact CD2-CB 4.4Å; W137-P150 HydrophobicContact CE3-CB 4.11Å; W137-P150 HydrophobicContact CH2-CB 4.13Å; W137-P150 HydrophobicContact CZ2-CB 4.35Å; W137-P150 HydrophobicContact CZ3-CB 3.99Å; W137-P150 HydrophobicContact CZ3-CG 4.34Å; P150-L153 HydrophobicContact CB-CD2 3.48Å; P150-L153 VanDerWaalsContact CB-CD2 3.48Å; P150-L153 HydrophobicContact CB-CG 3.89Å; P150-L153 VanDerWaalsContact CB-O 3.3Å; P150-L153 WeakPolarHBondContact CB-O 3.17Å; P150-P155 HydrophobicContact CB-CG 4.09Å; P150-P155 HydrophobicContact CG-CG 3.86Å
151I95.9Very high94.3Very high114 Ų11499.5 Ų99.559%0.58554%0.54SS*.SBendtrans-96.5-45.9179.7-65.1172.5000111.1H136H136-I151 HydrophobicContact CB-CB 3.85Å; H136-I151 HydrophobicContact CB-CD1 4.18Å; H136-I151 HydrophobicContact CB-CG1 4.49Å; H136-I151 HydrophobicContact CB-CG2 4.28Å; H136-I151 PolarHBondContact O-N 3.48Å
152N94.8Very high94.3Very high31 Ų3197.9 Ų97.917%0.16654%0.535CS..SBendtrans-124.821.7-171.869.9-9.8000114E134 F135 H136 E167E134-N152 PolarHBondContact O-ND2 2.81Å; F135-N152 WeakPolarHBondContact CA-OD1 3.5Å; H136-N152 PolarHBondContact N-OD1 2.86Å; N152-E167 WeakPolarHBondContact CB-OE1 3.1Å; N152-E167 VanDerWaalsContact ND2-CD 3.34Å; N152-E167 PolarHBondContact ND2-OE1 3.31Å; N152-E167 PolarHBondContact ND2-OE2 3.49Å
153L94.9Very high94.5Very high18 Ų1891.4 Ų91.49%0.09451%0.511CS..  trans-147.3159.2177.973.6160.7000112.6F135 W137 P150 R158F135-L153 HydrophobicContact CB-CD1 4.14Å; F135-L153 HydrophobicContact CB-CD2 4Å; F135-L153 HydrophobicContact CD1-CB 3.79Å; F135-L153 HydrophobicContact CD1-CD1 3.84Å; F135-L153 HydrophobicContact CD1-CD2 4.25Å; F135-L153 HydrophobicContact CD1-CG 4.17Å; F135-L153 HydrophobicContact CD2-CD1 4.29Å; F135-L153 HydrophobicContact CE1-CB 4.07Å; F135-L153 HydrophobicContact CE1-CD1 4.31Å; F135-L153 HydrophobicContact CG-CD1 3.83Å; F135-L153 HydrophobicContact CG-CD2 4.38Å; F135-L153 HydrophobicContact CG-CG 4.49Å; W137-L153 HydrophobicContact CZ2-CD1 4.04Å; W137-L153 HydrophobicContact CZ2-CD2 4.26Å; W137-L153 HydrophobicContact CZ2-CG 4.48Å; P150-L153 HydrophobicContact CB-CD2 3.48Å; P150-L153 VanDerWaalsContact CB-CD2 3.48Å; P150-L153 HydrophobicContact CB-CG 3.89Å; P150-L153 VanDerWaalsContact CB-O 3.3Å; P150-L153 WeakPolarHBondContact CB-O 3.17Å; L153-R158 HydrophobicContact CD1-CG 4.01Å
154V95.4Very high94.7Very high87 Ų8790.1 Ų90.153%0.52748%0.48SS..  trans-102.9114.7162.8178.80000107.6A156 L157 R158V154-A156 HydrophobicContact CG1-CB 4.46Å; V154-A156 PolarHBondContact O-N 3.25Å; V154-A156 VanDerWaalsContact O-N 3.12Å; V154-L157 HydrophobicContact CB-CB 4.31Å; V154-L157 HydrophobicContact CG1-CB 4.33Å; V154-L157 HydrophobicContact CG1-CG 4.49Å; V154-L157 CarbonylContact O-C 3.56Å; V154-L157 WeakPolarHBondContact O-CA 3.1Å; V154-L157 PolarHBondContact O-N 3.26Å; V154-R158 PolarHBondContact O-N 3.48Å
155P95.1Very high94.8Very high59 Ų5993.9 Ų93.938%0.38350%0.496SS..G310 helixtrans-58.4-30.9-172.9-29.937000114.8W137 P150 L157W137-P155 HydrophobicContact CH2-CB 4.21Å; W137-P155 HydrophobicContact CH2-CG 3.54Å; W137-P155 HydrophobicContact CZ2-CG 4.16Å; W137-P155 HydrophobicContact CZ3-CG 4.35Å; P150-P155 HydrophobicContact CB-CG 4.09Å; P150-P155 HydrophobicContact CG-CG 3.86Å; P155-L157 VanDerWaalsContact C-N 3.31Å
156A96.3Very high94.9Very high94 Ų9491 Ų9178%0.77747%0.467SS*.G310 helixtrans-74.5-19175.900000113.7V154V154-A156 HydrophobicContact CG1-CB 4.46Å; V154-A156 PolarHBondContact O-N 3.25Å; V154-A156 VanDerWaalsContact O-N 3.12Å
157L95Very high95Very high137 Ų13789.2 Ų89.272%0.71746%0.458SS*.G310 helixtrans-130.858.8-176.7-62.1175.7000109.7V154 P155 P159V154-L157 HydrophobicContact CB-CB 4.31Å; V154-L157 HydrophobicContact CG1-CB 4.33Å; V154-L157 HydrophobicContact CG1-CG 4.49Å; V154-L157 CarbonylContact O-C 3.56Å; V154-L157 WeakPolarHBondContact O-CA 3.1Å; V154-L157 PolarHBondContact O-N 3.26Å; P155-L157 VanDerWaalsContact C-N 3.31Å; L157-P159 VanDerWaalsContact O-CD 3.29Å; L157-P159 WeakPolarHBondContact O-CD 3.38Å
158R95.4Very high95.1Very high124 Ų12485.4 Ų85.447%0.46844%0.438SS..PPolyproline II helixtrans-67117.1-178.9-87179.8136.893.7-3.1111L153 V154L153-R158 HydrophobicContact CD1-CG 4.01Å; V154-R158 PolarHBondContact O-N 3.48Å
159P94.5Very high95.1Very high36 Ų3684 Ų8423%0.23443%0.425CS..PPolyproline II helixtrans-71.5146.517630.4-33.8000110.2F135 L157 D163 W164F135-P159 HydrophobicContact CE1-CG 3.94Å; F135-P159 HydrophobicContact CZ-CG 4.17Å; F135-P159 WeakPolarHBondContact CZ-O 3.42Å; L157-P159 VanDerWaalsContact O-CD 3.29Å; L157-P159 WeakPolarHBondContact O-CD 3.38Å; P159-D163 HydrophobicContact CB-CB 3.99Å; P159-W164 HydrophobicContact CB-CB 4.44Å; P159-W164 HydrophobicContact CB-CG 4.3Å; P159-W164 HydrophobicContact CG-CG 4.2Å
160R93.9Very high95.1Very high151 Ų15183.3 Ų83.357%0.5742%0.422SS*.PPolyproline II helixtrans-76.8167.2164.2-54.8167.9-64.31766.2108.8Q162 D163R160-Q162 VanDerWaalsContact CB-OE1 3.29Å; R160-Q162 VanDerWaalsContact CZ-NE2 3.28Å; R160-Q162 PolarHBondContact O-N 2.52Å; R160-Q162 VanDerWaalsContact O-N 3.14Å; R160-D163 WeakPolarHBondContact CB-OD2 3.46Å; R160-D163 VanDerWaalsContact CG-OD2 3.32Å; R160-D163 WeakPolarHBondContact CG-OD2 3.34Å; R160-D163 IonicContact CZ-OD1 2.8Å; R160-D163 IonicContact CZ-OD2 2.75Å; R160-D163 PolarHBondContact N-OD2 2.68Å; R160-D163 IonicContact NE-OD1 3.62Å; R160-D163 PolarHBondContact NE-OD1 2.92Å; R160-D163 IonicContact NE-OD2 3.13Å; R160-D163 PolarHBondContact NE-OD2 2.74Å; R160-D163 IonicContact NH2-OD1 3.93Å; R160-D163 PolarHBondContact NH2-OD1 2.84Å; R160-D163 IonicContact NH2-OD2 3.42Å; R160-D163 PolarHBondContact NH2-OD2 3.26Å; R160-D163 WeakPolarHBondContact O-CB 3.14Å; R160-D163 PolarHBondContact O-N 3.42Å
161R89.9Confident94.9Very high163 Ų16381.6 Ų81.662%0.61541%0.41SS*.G310 helixtrans-52.4-39-179.9-176174.2179.2167-1.8113.1H133 D163 W164H133-R161 HydrophobicContact CB-CG 4.03Å; H133-R161 PolarHBondContact CD2-O 3.25Å; H133-R161 VanDerWaalsContact CD2-O 3.25Å; H133-R161 PolarHBondContact NE2-O 3.16Å; R161-D163 VanDerWaalsContact C-N 3.32Å; R161-W164 VanDerWaalsContact O-O 3.13Å
162Q94.3Very high94.8Very high132 Ų13276.7 Ų76.762%0.61739%0.388SS*.G310 helixtrans-80.9-8.6-18068.6-87.727.400114.5R160R160-Q162 VanDerWaalsContact CB-OE1 3.29Å; R160-Q162 VanDerWaalsContact CZ-NE2 3.28Å; R160-Q162 PolarHBondContact O-N 2.52Å; R160-Q162 VanDerWaalsContact O-N 3.14Å
163D95.1Very high94.8Very high80 Ų8075.2 Ų75.243%0.42838%0.38SS..G310 helixtrans-92.70.2-175.2-57.1-32.6000112.3P159 R160 R161P159-D163 HydrophobicContact CB-CB 3.99Å; R160-D163 WeakPolarHBondContact CB-OD2 3.46Å; R160-D163 VanDerWaalsContact CG-OD2 3.32Å; R160-D163 WeakPolarHBondContact CG-OD2 3.34Å; R160-D163 IonicContact CZ-OD1 2.8Å; R160-D163 IonicContact CZ-OD2 2.75Å; R160-D163 PolarHBondContact N-OD2 2.68Å; R160-D163 IonicContact NE-OD1 3.62Å; R160-D163 PolarHBondContact NE-OD1 2.92Å; R160-D163 IonicContact NE-OD2 3.13Å; R160-D163 PolarHBondContact NE-OD2 2.74Å; R160-D163 IonicContact NH2-OD1 3.93Å; R160-D163 PolarHBondContact NH2-OD1 2.84Å; R160-D163 IonicContact NH2-OD2 3.42Å; R160-D163 PolarHBondContact NH2-OD2 3.26Å; R160-D163 WeakPolarHBondContact O-CB 3.14Å; R160-D163 PolarHBondContact O-N 3.42Å; R161-D163 VanDerWaalsContact C-N 3.32Å
164W94.7Very high95Very high56 Ų5674.3 Ų74.321%0.21238%0.376CS..SBendtrans-156.3160.5176.575.5-52.9000111.6H133 F135 P159 R161 G166 E167H133-W164 HydrophobicContact CB-CZ2 4.17Å; H133-W164 AromaticContact CD2-NE1 3.68Å; F135-W164 HydrophobicContact CE1-CZ2 4.36Å; P159-W164 HydrophobicContact CB-CB 4.44Å; P159-W164 HydrophobicContact CB-CG 4.3Å; P159-W164 HydrophobicContact CG-CG 4.2Å; R161-W164 VanDerWaalsContact O-O 3.13Å; W164-G166 VanDerWaalsContact C-N 3.27Å; W164-G166 PolarHBondContact O-N 3.38Å; W164-E167 HydrophobicContact CH2-CG 4.31Å; W164-E167 HydrophobicContact CZ3-CG 4.1Å
165D94.6Very high95.1Very high132 Ų13271.6 Ų71.671%0.70636%0.356SS*.  trans-77.2-9.5-174.4-61.9-34.1000113.9R131R131-D165 WeakPolarHBondContact CD-O 3.21Å; R131-D165 WeakPolarHBondContact CG-O 3.39Å; R131-D165 PolarHBondContact NH1-O 3.38Å
166G94.9Very high95.3Very high15 Ų1568.8 Ų68.816%0.15534%0.338CS..  trans69.8-165.7-171.300000113.4R132 W164R132-G166 CarbonylContact O-C 3.17Å; R132-G166 VanDerWaalsContact O-CA 3.22Å; R132-G166 WeakPolarHBondContact O-CA 3.41Å; W164-G166 VanDerWaalsContact C-N 3.27Å; W164-G166 PolarHBondContact O-N 3.38Å
167E96.5Very high95.4Very high62 Ų6264.3 Ų64.329%0.2930%0.301SS..EExtended strand (participates in β ladder)trans-123.7149.9-179.1-69.3176.6-175.900110.8R131 R132 H136 N152 W164 H169R131-E167 CarbonylContact C-O 3.6Å; R131-E167 WeakPolarHBondContact CA-O 3.18Å; R132-E167 PolarHBondContact N-O 3.04Å; R132-E167 PolarHBondContact O-N 2.85Å; H136-E167 IonicContact CE1-OE2 2.76Å; H136-E167 PolarHBondContact CE1-OE2 3.18Å; H136-E167 IonicContact ND1-OE2 3Å; H136-E167 PolarHBondContact ND1-OE2 3.13Å; H136-E167 VanDerWaalsContact ND1-OE2 3.13Å; N152-E167 WeakPolarHBondContact CB-OE1 3.1Å; N152-E167 VanDerWaalsContact ND2-CD 3.34Å; N152-E167 PolarHBondContact ND2-OE1 3.31Å; N152-E167 PolarHBondContact ND2-OE2 3.49Å; W164-E167 HydrophobicContact CH2-CG 4.31Å; W164-E167 HydrophobicContact CZ3-CG 4.1Å; E167-H169 PolarHBondContact O-CD2 3.17Å
168L96.7Very high95.6Very high60 Ų6058.9 Ų58.931%0.31427%0.274SS..EExtended strand (participates in β ladder)trans-92.7127.7176.7-68.4175.7000110.3V129 R131 Y195 E197V129-L168 HydrophobicContact CB-CB 4.38Å; V129-L168 HydrophobicContact CB-CD2 4.49Å; V129-L168 HydrophobicContact CG2-CB 4.36Å; V129-L168 HydrophobicContact CG2-CD1 4.31Å; V129-L168 HydrophobicContact CG2-CD2 3.83Å; V129-L168 HydrophobicContact CG2-CG 4.4Å; R131-L168 HydrophobicContact CB-CD2 4.06Å; L168-Y195 HydrophobicContact CD1-CD1 3.95Å; L168-Y195 HydrophobicContact CD1-CD2 3.87Å; L168-Y195 HydrophobicContact CD1-CE1 3.59Å; L168-Y195 HydrophobicContact CD1-CE2 3.5Å; L168-Y195 VanDerWaalsContact CD1-CE2 3.5Å; L168-Y195 HydrophobicContact CD1-CG 4.09Å; L168-E197 HydrophobicContact CD2-CG 4.27Å
169H95.9Very high95.7Very high54 Ų5455.1 Ų55.125%0.2526%0.26CS..EExtended strand (participates in β ladder)trans-119.6134.9177.1-65.7-116.7000109.6V129 V130 H136 E167 N171V129-H169 CarbonylContact C-O 3.52Å; V129-H169 WeakPolarHBondContact CA-O 3.49Å; V129-H169 WeakPolarHBondContact CB-O 3.46Å; V130-H169 HydrophobicContact CG1-CB 4.48Å; V130-H169 PolarHBondContact N-O 2.96Å; V130-H169 PolarHBondContact O-N 3.49Å; H136-H169 AromaticContact CE1-CE1 3.71Å; H136-H169 AromaticContact CE1-NE2 3.98Å; H136-H169 AromaticContact NE2-CE1 3.86Å; E167-H169 PolarHBondContact O-CD2 3.17Å; H169-N171 PolarHBondContact O-N 3.09Å
170E95.8Very high95.8Very high95 Ų9559.2 Ų59.244%0.44428%0.28SS..EExtended strand (participates in β ladder)trans-55131.4167.5-67.1-171-140.600110.2F127 Y175 Q189F127-E170 HydrophobicContact CD2-CG 3.76Å; F127-E170 HydrophobicContact CE2-CG 3.69Å; E170-Y175 WeakPolarHBondContact OE2-CE1 3.43Å; E170-Y175 VanDerWaalsContact OE2-CZ 3.32Å; E170-Y175 PolarHBondContact OE2-OH 2.9Å; E170-Q189 PolarHBondContact OE1-NE2 3.08Å
171N93.3Very high96Very high13 Ų1352.1 Ų52.17%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-103.5-4.9-177.875.71.4000113.2S128 V130 H169 S173 M198 K203S128-N171 VanDerWaalsContact CB-OD1 3.23Å; S128-N171 WeakPolarHBondContact CB-OD1 3.47Å; S128-N171 PolarHBondContact O-N 3.37Å; S128-N171 VanDerWaalsContact O-N 3.13Å; S128-N171 PolarHBondContact O-OD1 3.14Å; S128-N171 PolarHBondContact OG-OD1 2.76Å; V130-N171 HydrophobicContact CB-CB 4.21Å; V130-N171 HydrophobicContact CG1-CB 3.97Å; H169-N171 PolarHBondContact O-N 3.09Å; N171-S173 PolarHBondContact ND2-OG 2.8Å; N171-S173 WeakPolarHBondContact OD1-CB 3.28Å; N171-S173 PolarHBondContact OD1-N 3.31Å; N171-S173 PolarHBondContact OD1-OG 2.76Å; N171-M198 PolarHBondContact ND2-SD 3.04Å; N171-K203 PolarHBondContact O-NZ 3.03Å; N171-K203 VanDerWaalsContact O-NZ 3.15Å
172G93.1Very high96.4Very high11 Ų1144.4 Ų44.411%0.11323%0.225CC..EExtended strand (participates in β ladder)trans66.330.9179.700000114Q100 S103Q100-G172 WeakPolarHBondContact CB-O 2.82Å; Q100-G172 VanDerWaalsContact OE1-C 3.24Å; Q100-G172 PolarHBondContact OE1-O 3.43Å; S103-G172 PolarHBondContact OG-O 3.29Å
173S95.8Very high96.6Very high0 Ų041.7 Ų41.70%021%0.211CC..EExtended strand (participates in β ladder)trans-82.6-56.2176-56.40000111.5Q100 S128 N171 M198Q100-S173 PolarHBondContact N-O 3.25Å; S128-S173 WeakPolarHBondContact OG-CA 3.32Å; S128-S173 VanDerWaalsContact OG-CB 3.32Å; S128-S173 WeakPolarHBondContact OG-CB 3.42Å; S128-S173 PolarHBondContact OG-N 3.5Å; S128-S173 VanDerWaalsContact OG-N 3.12Å; N171-S173 PolarHBondContact ND2-OG 2.8Å; N171-S173 WeakPolarHBondContact OD1-CB 3.28Å; N171-S173 PolarHBondContact OD1-N 3.31Å; N171-S173 PolarHBondContact OD1-OG 2.76Å; S173-M198 WeakPolarHBondContact OG-CE 3.22Å
174F98.4Very high96.7Very high0 Ų046.1 Ų46.10%023%0.226CC..EExtended strand (participates in β ladder)trans-150.9158.2178.262.7-100.4000113H98 I99 L106 H110 L111 A114 S128 I176 F196 M198H98-F174 CarbonylContact O-C 3.54Å; H98-F174 WeakPolarHBondContact O-CA 3.47Å; I99-F174 HydrophobicContact CG1-CB 4.27Å; L106-F174 HydrophobicContact CD1-CD1 3.82Å; L106-F174 HydrophobicContact CD1-CE1 4.17Å; H110-F174 HydrophobicContact CB-CE1 4.2Å; L111-F174 HydrophobicContact CD2-CB 4.47Å; L111-F174 HydrophobicContact CD2-CD1 3.99Å; L111-F174 HydrophobicContact CD2-CE1 4.47Å; L111-F174 HydrophobicContact CD2-CG 4.21Å; A114-F174 HydrophobicContact CB-CE2 3.52Å; A114-F174 HydrophobicContact CB-CZ 3.5Å; S128-F174 PolarHBondContact N-O 3.12Å; S128-F174 VanDerWaalsContact N-O 3.08Å; S128-F174 PolarHBondContact OG-N 2.77Å; S128-F174 PolarHBondContact OG-O 3.39Å; F174-I176 HydrophobicContact CD2-CD1 4.1Å; F174-I176 HydrophobicContact CD2-CG1 3.97Å; F174-I176 HydrophobicContact CE2-CD1 4.06Å; F174-I176 HydrophobicContact CE2-CG1 4.39Å; F174-F196 HydrophobicContact CE1-CD1 4.21Å; F174-F196 HydrophobicContact CE2-CB 4.32Å; F174-F196 HydrophobicContact CZ-CB 3.93Å; F174-F196 AromaticContact CZ-CD1 3.66Å; F174-F196 HydrophobicContact CZ-CD1 3.66Å; F174-F196 HydrophobicContact CZ-CG 4Å; F174-M198 HydrophobicContact CD1-SD 4.45Å; F174-M198 HydrophobicContact CE1-SD 3.92Å
175Y98.7Very high96.8Very high29 Ų2947.5 Ų47.511%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-133.8123.4172.6-60.6-96.4000107.7C97 H98 F127 E170 L188 Q189C97-Y175 CarbonylContact C-O 3.45Å; C97-Y175 WeakPolarHBondContact CA-O 3.43Å; H98-Y175 PolarHBondContact N-O 2.84Å; H98-Y175 AromaticContact ND1-CD2 3.93Å; H98-Y175 PolarHBondContact O-N 3.45Å; F127-Y175 HydrophobicContact CB-CD1 3.65Å; F127-Y175 HydrophobicContact CB-CE1 3.99Å; F127-Y175 HydrophobicContact CB-CG 4.42Å; E170-Y175 WeakPolarHBondContact OE2-CE1 3.43Å; E170-Y175 VanDerWaalsContact OE2-CZ 3.32Å; E170-Y175 PolarHBondContact OE2-OH 2.9Å; Y175-L188 HydrophobicContact CD1-CB 4.32Å; Y175-L188 HydrophobicContact CD1-CD1 4.37Å; Y175-L188 HydrophobicContact CD2-CD1 4.47Å; Y175-L188 HydrophobicContact CG-CD1 4.03Å; Y175-Q189 HydrophobicContact CD1-CG 4.45Å
176I98.8Very high96.9Very high0 Ų045.9 Ų45.90%023%0.226CC..EExtended strand (participates in β ladder)trans-111.5126.6177.1-50166.4000107.4V95 V96 C97 A114 L115 I118 S125 V126 F174V95-I176 HydrophobicContact CG1-CG2 3.56Å; V96-I176 VanDerWaalsContact O-CA 3.29Å; V96-I176 WeakPolarHBondContact O-CA 3.43Å; C97-I176 HydrophobicContact CB-CG1 4.03Å; A114-I176 HydrophobicContact CB-CD1 3.64Å; L115-I176 HydrophobicContact CD2-CD1 3.96Å; L115-I176 HydrophobicContact CD2-CG2 3.97Å; L115-I176 HydrophobicContact CG-CD1 4.03Å; I118-I176 HydrophobicContact CD1-CG2 4.2Å; I118-I176 HydrophobicContact CG1-CB 4.3Å; I118-I176 HydrophobicContact CG1-CG2 3.72Å; S125-I176 CarbonylContact C-O 3.52Å; S125-I176 WeakPolarHBondContact CA-O 3.41Å; V126-I176 HydrophobicContact CB-CB 4.44Å; V126-I176 HydrophobicContact CB-CD1 4.48Å; V126-I176 PolarHBondContact N-O 2.93Å; V126-I176 PolarHBondContact O-N 2.97Å; F174-I176 HydrophobicContact CD2-CD1 4.1Å; F174-I176 HydrophobicContact CD2-CG1 3.97Å; F174-I176 HydrophobicContact CE2-CD1 4.06Å; F174-I176 HydrophobicContact CE2-CG1 4.39Å
177S98.5Very high97Very high1 Ų146.7 Ų46.71%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-145.9146.6-178.9-34.10000110.8V96 E124 L188V96-S177 PolarHBondContact N-O 2.84Å; V96-S177 PolarHBondContact O-N 3.39Å; E124-S177 WeakPolarHBondContact O-CA 3.42Å; S177-L188 WeakPolarHBondContact OG-CA 3.36Å; S177-L188 PolarHBondContact OG-O 3.39Å
178S98.3Very high97.1Very high22 Ų2244.6 Ų44.615%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-67.8150.1168.672.80000111.1E124 D180 L181 I182E124-S178 PolarHBondContact O-N 3.13Å; S178-D180 VanDerWaalsContact C-N 3.26Å; S178-D180 PolarHBondContact O-N 2.77Å; S178-L181 PolarHBondContact O-N 3.22Å; S178-L181 VanDerWaalsContact OG-CB 3.26Å; S178-L181 WeakPolarHBondContact OG-CB 3.26Å; S178-L181 PolarHBondContact OG-N 2.86Å; S178-I182 WeakPolarHBondContact O-CG1 3.41Å; S178-I182 PolarHBondContact O-N 2.66Å
179R98.1Very high97.1Very high45 Ų4544.6 Ų44.617%0.1722%0.219CC..Hα-helixtrans-53.1-47.7173.2-180-170.9-173.285.76.6110.8L87 N90 V93 D94 L181 I182 F183L87-R179 HydrophobicContact CD1-CG 4.34Å; L87-R179 HydrophobicContact CD2-CG 4.42Å; L87-R179 VanDerWaalsContact O-CZ 3.28Å; L87-R179 PolarHBondContact O-NH1 3.49Å; L87-R179 PolarHBondContact O-NH2 3.31Å; N90-R179 PolarHBondContact O-NH1 3Å; V93-R179 WeakPolarHBondContact O-CD 3.16Å; V93-R179 PolarHBondContact O-NH1 3.47Å; D94-R179 WeakPolarHBondContact O-CB 3.39Å; D94-R179 PolarHBondContact O-N 2.89Å; R179-L181 PolarHBondContact O-N 2.77Å; R179-I182 PolarHBondContact O-N 3.22Å; R179-F183 HydrophobicContact CG-CD2 3.84Å; R179-F183 HydrophobicContact CG-CE2 3.82Å; R179-F183 VanDerWaalsContact O-CD2 3.31Å; R179-F183 WeakPolarHBondContact O-CD2 3.45Å; R179-F183 PolarHBondContact O-N 2.84Å; R179-F183 VanDerWaalsContact O-N 3.15Å
180D97.4Very high97.1Very high122 Ų12242.6 Ų42.665%0.65221%0.213SC*.Hα-helixtrans-61.9-43.3-175.7-69.1-13.5000111.6S178 F183 K184S178-D180 VanDerWaalsContact C-N 3.26Å; S178-D180 PolarHBondContact O-N 2.77Å; D180-F183 PolarHBondContact O-N 3.02Å; D180-K184 WeakPolarHBondContact O-CB 3.31Å; D180-K184 PolarHBondContact O-N 3.04Å
181L97.8Very high97.1Very high3 Ų340 Ų402%0.01621%0.211CC..Hα-helixtrans-59.8-48.1175.2-177.8161.6000111.2E124 S178 R179 F183 K184 E185 S187 G190E124-L181 HydrophobicContact CB-CD1 3.81Å; S178-L181 PolarHBondContact O-N 3.22Å; S178-L181 VanDerWaalsContact OG-CB 3.26Å; S178-L181 WeakPolarHBondContact OG-CB 3.26Å; S178-L181 PolarHBondContact OG-N 2.86Å; R179-L181 PolarHBondContact O-N 2.77Å; L181-F183 VanDerWaalsContact C-N 3.28Å; L181-F183 PolarHBondContact O-N 2.89Å; L181-K184 PolarHBondContact O-N 2.64Å; L181-E185 WeakPolarHBondContact O-CB 3.38Å; L181-E185 PolarHBondContact O-N 3.08Å; L181-S187 VanDerWaalsContact CD2-O 3.24Å; L181-S187 WeakPolarHBondContact CD2-O 3.48Å; L181-G190 WeakPolarHBondContact CD1-O 3.38Å
182I98.3Very high97.3Very high1 Ų144.2 Ų44.21%0.00523%0.229CC..Hα-helixtrans-58.7-39.8-177.9-68.4164.2000111.7V80 I83 Q84 L87 V96 S178 R179 N186 L188V80-I182 HydrophobicContact CG1-CG2 4.47Å; I83-I182 HydrophobicContact CG2-CD1 3.88Å; I83-I182 HydrophobicContact CG2-CG2 4.45Å; Q84-I182 HydrophobicContact CG-CG2 3.61Å; Q84-I182 PolarHBondContact NE2-O 3.17Å; Q84-I182 VanDerWaalsContact NE2-O 3.08Å; L87-I182 HydrophobicContact CD1-CB 4.3Å; L87-I182 HydrophobicContact CD1-CD1 3.76Å; L87-I182 HydrophobicContact CD1-CG2 4.06Å; V96-I182 HydrophobicContact CB-CD1 4.32Å; S178-I182 WeakPolarHBondContact O-CG1 3.41Å; S178-I182 PolarHBondContact O-N 2.66Å; R179-I182 PolarHBondContact O-N 3.22Å; I182-N186 WeakPolarHBondContact O-CA 3.24Å; I182-N186 PolarHBondContact O-N 3.45Å; I182-L188 HydrophobicContact CG1-CD2 4.27Å
183F98.3Very high97.6Very high74 Ų7447.2 Ų47.233%0.32525%0.245SC..Hα-helixtrans-81.4-38.6179-77.2-70.7000113.2Q84 L87 R88 R179 D180 L181Q84-F183 HydrophobicContact CB-CE1 4.01Å; Q84-F183 HydrophobicContact CB-CZ 4.38Å; Q84-F183 HydrophobicContact CG-CD1 4.2Å; Q84-F183 HydrophobicContact CG-CE1 3.96Å; Q84-F183 HydrophobicContact CG-CZ 4.46Å; L87-F183 HydrophobicContact CB-CE2 3.75Å; L87-F183 HydrophobicContact CB-CZ 3.81Å; L87-F183 HydrophobicContact CD1-CE2 3.98Å; R88-F183 HydrophobicContact CG-CE1 4.19Å; R88-F183 HydrophobicContact CG-CZ 4.03Å; R179-F183 HydrophobicContact CG-CD2 3.84Å; R179-F183 HydrophobicContact CG-CE2 3.82Å; R179-F183 VanDerWaalsContact O-CD2 3.31Å; R179-F183 WeakPolarHBondContact O-CD2 3.45Å; R179-F183 PolarHBondContact O-N 2.84Å; R179-F183 VanDerWaalsContact O-N 3.15Å; D180-F183 PolarHBondContact O-N 3.02Å; L181-F183 VanDerWaalsContact C-N 3.28Å; L181-F183 PolarHBondContact O-N 2.89Å
184K97.3Very high97.7Very high174 Ų17447.9 Ų47.976%0.75725%0.25SS*.Hα-helixtrans-72.5-42.9-177-178.5-174172.6-165.50112.4D180 L181D180-K184 WeakPolarHBondContact O-CB 3.31Å; D180-K184 PolarHBondContact O-N 3.04Å; L181-K184 PolarHBondContact O-N 2.64Å
185E96.8Very high97.7Very high84 Ų8453.2 Ų53.239%0.39327%0.271SS..Hα-helixtrans-104.1-8.7-172.2-60.7-168.6-16800113.1L181 S187 G190 G191L181-E185 WeakPolarHBondContact O-CB 3.38Å; L181-E185 PolarHBondContact O-N 3.08Å; E185-S187 PolarHBondContact O-N 3.37Å; E185-G190 WeakPolarHBondContact OE2-CA 3.49Å; E185-G191 PolarHBondContact OE1-N 2.91Å
186N97.1Very high97.7Very high98 Ų9853 Ų5352%0.52427%0.271SS..SBendtrans52.440.1-174.5-164.749.5000112.1Q84 I182Q84-N186 PolarHBondContact NE2-OD1 3.37Å; I182-N186 WeakPolarHBondContact O-CA 3.24Å; I182-N186 PolarHBondContact O-N 3.45Å
187S97Very high97.6Very high33 Ų3356.7 Ų56.723%0.23129%0.288CS..SBendtrans-142.5161.7-173.8-176.40000111L181 E185 Q189L181-S187 VanDerWaalsContact CD2-O 3.24Å; L181-S187 WeakPolarHBondContact CD2-O 3.48Å; E185-S187 PolarHBondContact O-N 3.37Å; S187-Q189 WeakPolarHBondContact CB-O 3.22Å; S187-Q189 PolarHBondContact OG-N 3.15Å; S187-Q189 VanDerWaalsContact OG-N 3.08Å; S187-Q189 PolarHBondContact OG-O 3.3Å
188L97.2Very high97.4Very high18 Ų1856.8 Ų56.89%0.09429%0.289CS..SBendtrans-94.3-11.5167.8-57.4-177.6000112.5V80 I83 S125 Y175 S177 I182V80-L188 HydrophobicContact CG2-CD2 4.08Å; V80-L188 HydrophobicContact CG2-CG 3.87Å; I83-L188 HydrophobicContact CD1-CD1 4.08Å; I83-L188 HydrophobicContact CD1-CD2 3.63Å; S125-L188 WeakPolarHBondContact CB-O 3.23Å; Y175-L188 HydrophobicContact CD1-CB 4.32Å; Y175-L188 HydrophobicContact CD1-CD1 4.37Å; Y175-L188 HydrophobicContact CD2-CD1 4.47Å; Y175-L188 HydrophobicContact CG-CD1 4.03Å; S177-L188 WeakPolarHBondContact OG-CA 3.36Å; S177-L188 PolarHBondContact OG-O 3.39Å; I182-L188 HydrophobicContact CG1-CD2 4.27Å
189Q97.6Very high96.9Very high59 Ų5963 Ų6328%0.27632%0.315SS..SBendtrans-130.2127.3-175.5-65151.9-71.500108F127 E170 Y175 S187F127-Q189 HydrophobicContact CB-CG 4.49Å; F127-Q189 HydrophobicContact CD1-CG 3.73Å; F127-Q189 HydrophobicContact CE1-CG 4.16Å; F127-Q189 HydrophobicContact CG-CG 4.18Å; E170-Q189 PolarHBondContact OE1-NE2 3.08Å; Y175-Q189 HydrophobicContact CD1-CG 4.45Å; S187-Q189 WeakPolarHBondContact CB-O 3.22Å; S187-Q189 PolarHBondContact OG-N 3.15Å; S187-Q189 VanDerWaalsContact OG-N 3.08Å; S187-Q189 PolarHBondContact OG-O 3.3Å
190G96.4Very high95.7Very high13 Ų1364.4 Ų64.413%0.13433%0.33CS..  trans169.3-179.8-168.700000112.9S125 L181 E185S125-G190 PolarHBondContact OG-N 3.3Å; S125-G190 PolarHBondContact OG-O 3.22Å; L181-G190 WeakPolarHBondContact CD1-O 3.38Å; E185-G190 WeakPolarHBondContact OE2-CA 3.49Å
191G96Very high94.2Very high39 Ų3960.4 Ų60.440%0.40231%0.307SS..SBendtrans52.3-140.1-178.700000113.4E124 E185 V193E124-G191 VanDerWaalsContact OE2-CA 3.24Å; E124-G191 WeakPolarHBondContact OE2-CA 3.37Å; E185-G191 PolarHBondContact OE1-N 2.91Å; G191-V193 PolarHBondContact O-N 3.5Å
192K97.1Very high92.1Very high103 Ų10368 Ų6845%0.44835%0.347SS..SBendtrans-7293.9168.3-165.5-172.7177.5-172.30109.7D121 G122 Y123 E124 S125D121-K192 PolarHBondContact O-NZ 2.78Å; G122-K192 WeakPolarHBondContact O-CD 3.42Å; Y123-K192 HydrophobicContact CD1-CB 4.49Å; Y123-K192 HydrophobicContact CD1-CD 4.11Å; Y123-K192 HydrophobicContact CD1-CG 3.74Å; Y123-K192 WeakPolarHBondContact CD1-O 3.5Å; Y123-K192 HydrophobicContact CE1-CD 4.36Å; Y123-K192 HydrophobicContact CE1-CG 4.02Å; E124-K192 HydrophobicContact CG-CB 4.43Å; E124-K192 PolarHBondContact N-O 3.45Å; E124-K192 PolarHBondContact OE2-N 3.1Å; S125-K192 PolarHBondContact N-O 2.92Å
193V98.1Very high89.6Confident74 Ų7471 Ų7145%0.44836%0.36SS..EExtended strand (participates in β ladder)trans-95.4143.9-175.364.70000112.9S125 F127 G191S125-V193 WeakPolarHBondContact O-CA 3.17Å; S125-V193 WeakPolarHBondContact OG-CG2 3.29Å; F127-V193 HydrophobicContact CD1-CG2 4.18Å; F127-V193 HydrophobicContact CE1-CG2 3.69Å; G191-V193 PolarHBondContact O-N 3.5Å
194A98.4Very high87Confident13 Ų1375.5 Ų75.511%0.10738%0.382CS..EExtended strand (participates in β ladder)trans-139.2164.3164.800000111.9M117 Y123 S125 V126 F127M117-A194 HydrophobicContact CE-CB 3.45Å; M117-A194 VanDerWaalsContact CE-CB 3.45Å; Y123-A194 HydrophobicContact CD1-CB 3.56Å; Y123-A194 HydrophobicContact CD2-CB 4.28Å; Y123-A194 HydrophobicContact CE1-CB 3.45Å; Y123-A194 VanDerWaalsContact CE1-CB 3.45Å; Y123-A194 HydrophobicContact CE2-CB 4.18Å; Y123-A194 HydrophobicContact CG-CB 4.01Å; S125-A194 PolarHBondContact O-N 2.78Å; V126-A194 VanDerWaalsContact CA-O 3.28Å; V126-A194 WeakPolarHBondContact CA-O 3.37Å; V126-A194 HydrophobicContact CG2-CB 4.33Å; F127-A194 WeakPolarHBondContact CD1-O 3.39Å; F127-A194 PolarHBondContact N-O 2.91Å
195Y98.4Very high84.4Confident112 Ų11273.6 Ų73.644%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-107.3155.8168.763.1-98.2000110.2F127 V129 L168 E197F127-Y195 CarbonylContact O-C 3.53Å; F127-Y195 WeakPolarHBondContact O-CA 3.32Å; V129-Y195 HydrophobicContact CG2-CD2 3.52Å; V129-Y195 HydrophobicContact CG2-CE2 4.39Å; V129-Y195 HydrophobicContact CG2-CG 3.94Å; L168-Y195 HydrophobicContact CD1-CD1 3.95Å; L168-Y195 HydrophobicContact CD1-CD2 3.87Å; L168-Y195 HydrophobicContact CD1-CE1 3.59Å; L168-Y195 HydrophobicContact CD1-CE2 3.5Å; L168-Y195 VanDerWaalsContact CD1-CE2 3.5Å; L168-Y195 HydrophobicContact CD1-CG 4.09Å; Y195-E197 HydrophobicContact CD2-CB 4.43Å; Y195-E197 HydrophobicContact CE2-CB 4.38Å
196F98.3Very high82Confident26 Ų2673.1 Ų73.111%0.11438%0.38CS..EExtended strand (participates in β ladder)trans-114.8111.2167.3-179.2-94.7000108.9H110 K113 A114 M117 V126 F127 S128 V129 F174 M198H110-F196 HydrophobicContact CB-CE1 3.82Å; H110-F196 HydrophobicContact CB-CZ 4.38Å; H110-F196 AromaticContact CD2-CE1 3.88Å; K113-F196 HydrophobicContact CB-CD2 4.33Å; K113-F196 HydrophobicContact CB-CE2 3.47Å; K113-F196 VanDerWaalsContact CB-CE2 3.47Å; K113-F196 HydrophobicContact CB-CZ 3.99Å; K113-F196 HydrophobicContact CD-CE2 4Å; K113-F196 HydrophobicContact CD-CZ 4.04Å; K113-F196 HydrophobicContact CG-CE2 4.4Å; A114-F196 HydrophobicContact CB-CB 4.19Å; A114-F196 HydrophobicContact CB-CD2 4.2Å; A114-F196 HydrophobicContact CB-CG 4.08Å; M117-F196 HydrophobicContact SD-CD2 4.26Å; V126-F196 HydrophobicContact CG1-CB 4.07Å; F127-F196 PolarHBondContact O-N 2.75Å; S128-F196 WeakPolarHBondContact CA-O 3.16Å; V129-F196 PolarHBondContact N-O 2.96Å; F174-F196 HydrophobicContact CE1-CD1 4.21Å; F174-F196 HydrophobicContact CE2-CB 4.32Å; F174-F196 HydrophobicContact CZ-CB 3.93Å; F174-F196 AromaticContact CZ-CD1 3.66Å; F174-F196 HydrophobicContact CZ-CD1 3.66Å; F174-F196 HydrophobicContact CZ-CG 4Å; F196-M198 HydrophobicContact CD1-CG 3.76Å; F196-M198 HydrophobicContact CE1-CG 3.78Å; F196-M198 PolarHBondContact O-N 3.34Å
197E97.5Very high79.5Confident76 Ų7671 Ų7136%0.35537%0.368SS..EExtended strand (participates in β ladder)trans-74.9118177.3-171172.3170.600109.9V129 R131 L168 Y195V129-E197 HydrophobicContact CG2-CB 4.13Å; R131-E197 WeakPolarHBondContact CB-OE1 3.48Å; R131-E197 WeakPolarHBondContact CD-OE1 3.48Å; R131-E197 IonicContact CZ-OE1 2.77Å; R131-E197 IonicContact CZ-OE2 2.87Å; R131-E197 IonicContact NE-OE1 3.5Å; R131-E197 PolarHBondContact NE-OE1 3.42Å; R131-E197 IonicContact NE-OE2 3.67Å; R131-E197 PolarHBondContact NE-OE2 2.79Å; R131-E197 IonicContact NH2-OE1 3.57Å; R131-E197 IonicContact NH2-OE2 2.77Å; R131-E197 PolarHBondContact NH2-OE2 2.86Å; L168-E197 HydrophobicContact CD2-CG 4.27Å; Y195-E197 HydrophobicContact CD2-CB 4.43Å; Y195-E197 HydrophobicContact CE2-CB 4.38Å
198M94.1Very high77.1Confident4 Ų471.9 Ų71.92%0.0238%0.377CS..PPolyproline II helixtrans-93.7148.9171.8-69.8175.652.800109.7L106 V129 N171 S173 F174 F196L106-M198 HydrophobicContact CD1-CE 4.46Å; V129-M198 PolarHBondContact O-N 2.91Å; N171-M198 PolarHBondContact ND2-SD 3.04Å; S173-M198 WeakPolarHBondContact OG-CE 3.22Å; F174-M198 HydrophobicContact CD1-SD 4.45Å; F174-M198 HydrophobicContact CE1-SD 3.92Å; F196-M198 HydrophobicContact CD1-CG 3.76Å; F196-M198 HydrophobicContact CE1-CG 3.78Å; F196-M198 PolarHBondContact O-N 3.34Å
199E88.3Confident74.6Confident153 Ų15373.7 Ų73.772%0.71539%0.391SS*.PPolyproline II helixtrans-54.4140.2169.5-61.8-57.2148.600110.1E201E199-E201 PolarHBondContact O-N 3.5Å
200P73.2Confident72.3Confident73 Ų7371 Ų7147%0.47438%0.379SS..  trans-59.5113.5176.622-29.8000109.5V130V130-P200 HydrophobicContact CG2-CB 3.81Å
201E65.6Low69.9Low38 Ų3875.1 Ų75.118%0.17840%0.398CS..  trans-55.6140.7170-60.9161.7147.200108C105 E199 K203C105-E201 HydrophobicContact CB-CG 4.22Å; E199-E201 PolarHBondContact O-N 3.5Å; E201-K203 HydrophobicContact CB-CB 4.08Å; E201-K203 HydrophobicContact CB-CG 4.24Å; E201-K203 PolarHBondContact O-N 3Å; E201-K203 VanDerWaalsContact OE2-CD 3.23Å; E201-K203 WeakPolarHBondContact OE2-CD 3.24Å; E201-K203 WeakPolarHBondContact OE2-CE 3.22Å; E201-K203 IonicContact OE2-NZ 3.74Å; E201-K203 PolarHBondContact OE2-NZ 3.13Å
202L52.6Low67.5Low162 Ų16282.1 Ų82.185%0.84841%0.412SS*.  trans-66.367158.9-76.1155.7000107.8E204L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 2.88Å
203K46.8Very low65Low64 Ų6480 Ų8028%0.27841%0.41SS..Hα-helixtrans-73-26.5-163.6-145.8168.5-173.5143.60111.8N171 E201 M207N171-K203 PolarHBondContact O-NZ 3.03Å; N171-K203 VanDerWaalsContact O-NZ 3.15Å; E201-K203 HydrophobicContact CB-CB 4.08Å; E201-K203 HydrophobicContact CB-CG 4.24Å; E201-K203 PolarHBondContact O-N 3Å; E201-K203 VanDerWaalsContact OE2-CD 3.23Å; E201-K203 WeakPolarHBondContact OE2-CD 3.24Å; E201-K203 WeakPolarHBondContact OE2-CE 3.22Å; E201-K203 IonicContact OE2-NZ 3.74Å; E201-K203 PolarHBondContact OE2-NZ 3.13Å; K203-M207 PolarHBondContact O-N 3.28Å
204E44.2Very low62.6Low169 Ų16977.6 Ų77.679%0.7939%0.394SS*.Hα-helixtrans-68.9-36.2-175.6-70.7-179.2165.900112.4L202 A208L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 2.88Å; E204-A208 WeakPolarHBondContact O-CB 3.45Å; E204-A208 PolarHBondContact O-N 3.44Å
205D42.5Very low59.9Low134 Ų13480.7 Ų80.772%0.71741%0.411SS*.Hα-helixtrans-83.6-41.5-178.8-89.7-21.8000113.3S209D205-S209 WeakPolarHBondContact O-CB 3.2Å; D205-S209 PolarHBondContact O-N 2.73Å; D205-S209 PolarHBondContact O-OG 3.43Å
206L45.4Very low57.1Low74 Ų7482.5 Ų82.539%0.38742%0.421SS..Hα-helixtrans-73.5-43-172.9-132.385.1000112.4L23 P104 S209 T210L23-L206 HydrophobicContact CD2-CD2 4.06Å; P104-L206 HydrophobicContact CG-CD2 3.96Å; L206-S209 PolarHBondContact O-OG 2.83Å; L206-T210 VanDerWaalsContact O-CB 3.24Å; L206-T210 WeakPolarHBondContact O-CB 3.5Å; L206-T210 PolarHBondContact O-N 2.89Å; L206-T210 PolarHBondContact O-OG1 3.32Å
207M45.7Very low54.3Low55 Ų5589.3 Ų89.327%0.27145%0.451SS..Hα-helixtrans-83-34.3-178.9-75.3-71.5170.700113.4T102 P104 K203 T210 N211T102-M207 WeakPolarHBondContact O-CE 3.11Å; P104-M207 VanDerWaalsContact CD-CE 3.42Å; P104-M207 HydrophobicContact CG-CE 4.04Å; K203-M207 PolarHBondContact O-N 3.28Å; M207-T210 WeakPolarHBondContact O-CB 3.5Å; M207-T210 PolarHBondContact O-N 2.87Å; M207-N211 PolarHBondContact O-N 2.86Å
208A46Very low51.4Low51 Ų5190.4 Ų90.442%0.42146%0.463SS..Hα-helixtrans-70.8-34.8172.600000111.3E204 R212E204-A208 WeakPolarHBondContact O-CB 3.45Å; E204-A208 PolarHBondContact O-N 3.44Å; A208-R212 VanDerWaalsContact O-CB 3.27Å; A208-R212 WeakPolarHBondContact O-CB 3.29Å; A208-R212 WeakPolarHBondContact O-CG 3.45Å; A208-R212 PolarHBondContact O-N 2.86Å
209S44.2Very low48.5Very low55 Ų5598 Ų9839%0.38550%0.498SS..Hα-helixtrans-69.5-33168.869.30000112.2D205 L206 R212 S213D205-S209 WeakPolarHBondContact O-CB 3.2Å; D205-S209 PolarHBondContact O-N 2.73Å; D205-S209 PolarHBondContact O-OG 3.43Å; L206-S209 PolarHBondContact O-OG 2.83Å; S209-R212 PolarHBondContact O-N 3.4Å; S209-S213 WeakPolarHBondContact O-CA 3.12Å; S209-S213 WeakPolarHBondContact O-CB 3.37Å; S209-S213 PolarHBondContact O-N 3.26Å; S209-S213 PolarHBondContact O-OG 3.12Å
210T49Very low45.9Very low4 Ų498 Ų983%0.02550%0.502CS..Hα-helixtrans-59.5-53.1171-64.80000110L23 L206 M207 R212 S213 F214L23-T210 WeakPolarHBondContact CD1-OG1 3.32Å; L206-T210 VanDerWaalsContact O-CB 3.24Å; L206-T210 WeakPolarHBondContact O-CB 3.5Å; L206-T210 PolarHBondContact O-N 2.89Å; L206-T210 PolarHBondContact O-OG1 3.32Å; M207-T210 WeakPolarHBondContact O-CB 3.5Å; M207-T210 PolarHBondContact O-N 2.87Å; T210-R212 PolarHBondContact O-N 3.36Å; T210-S213 PolarHBondContact O-OG 2.82Å; T210-F214 HydrophobicContact CG2-CD2 3.5Å; T210-F214 HydrophobicContact CG2-CE2 3.19Å; T210-F214 HydrophobicContact CG2-CZ 4.28Å; T210-F214 VanDerWaalsContact O-CB 3.24Å; T210-F214 WeakPolarHBondContact O-CB 3.3Å; T210-F214 WeakPolarHBondContact O-CD2 3.29Å; T210-F214 WeakPolarHBondContact O-CG 3.41Å; T210-F214 PolarHBondContact O-N 3.5Å
211N46.8Very low43.9Very low99 Ų99106 Ų10653%0.52953%0.533SS..Hα-helixtrans-63.2-42.8175.8-83.1-15000112.9M207 T215M207-N211 PolarHBondContact O-N 2.86Å; N211-T215 WeakPolarHBondContact O-CG2 3.47Å; N211-T215 PolarHBondContact O-N 2.76Å; N211-T215 PolarHBondContact O-OG1 3.31Å
212R44.7Very low42.9Very low185 Ų185109.4 Ų109.470%0.69855%0.551SS**Hα-helixtrans-69.6-38.5179.2-82.8-178.3175179.30.3114.2A208 S209 T210 T215 K216A208-R212 VanDerWaalsContact O-CB 3.27Å; A208-R212 WeakPolarHBondContact O-CB 3.29Å; A208-R212 WeakPolarHBondContact O-CG 3.45Å; A208-R212 PolarHBondContact O-N 2.86Å; S209-R212 PolarHBondContact O-N 3.4Å; T210-R212 PolarHBondContact O-N 3.36Å; R212-T215 WeakPolarHBondContact CA-OG1 3.38Å; R212-T215 PolarHBondContact O-OG1 3.26Å; R212-K216 WeakPolarHBondContact O-CB 3.46Å; R212-K216 WeakPolarHBondContact O-CG 3.46Å; R212-K216 PolarHBondContact O-N 2.88Å
213S45.7Very low42.3Very low59 Ų59106.6 Ų106.641%0.41354%0.536SS..Hα-helixtrans-73.8-31.1177.363.60000111.3S209 T210S209-S213 WeakPolarHBondContact O-CA 3.12Å; S209-S213 WeakPolarHBondContact O-CB 3.37Å; S209-S213 PolarHBondContact O-N 3.26Å; S209-S213 PolarHBondContact O-OG 3.12Å; T210-S213 PolarHBondContact O-OG 2.82Å
214F46.4Very low42.1Very low24 Ų24108.9 Ų108.911%0.10555%0.55CS..Hα-helixtrans-76.1-33.1172.9-69.7-44000113.6I15 K21 T210 T218I15-F214 HydrophobicContact CD1-CB 3.71Å; I15-F214 HydrophobicContact CD1-CD2 3.46Å; I15-F214 VanDerWaalsContact CD1-CD2 3.46Å; I15-F214 HydrophobicContact CD1-CE2 4.34Å; I15-F214 HydrophobicContact CD1-CG 3.88Å; I15-F214 HydrophobicContact CG1-CB 4.45Å; K21-F214 HydrophobicContact CB-CD1 4.46Å; K21-F214 HydrophobicContact CB-CE1 3.46Å; K21-F214 VanDerWaalsContact CB-CE1 3.46Å; K21-F214 HydrophobicContact CB-CE2 4.37Å; K21-F214 HydrophobicContact CB-CZ 3.4Å; K21-F214 HydrophobicContact CD-CD1 3.47Å; K21-F214 VanDerWaalsContact CD-CD1 3.47Å; K21-F214 HydrophobicContact CD-CE1 3.3Å; K21-F214 HydrophobicContact CD-CE2 4.46Å; K21-F214 HydrophobicContact CD-CG 4.22Å; K21-F214 HydrophobicContact CD-CZ 3.85Å; K21-F214 HydrophobicContact CG-CE1 4.01Å; K21-F214 HydrophobicContact CG-CZ 4.26Å; T210-F214 HydrophobicContact CG2-CD2 3.5Å; T210-F214 HydrophobicContact CG2-CE2 3.19Å; T210-F214 HydrophobicContact CG2-CZ 4.28Å; T210-F214 VanDerWaalsContact O-CB 3.24Å; T210-F214 WeakPolarHBondContact O-CB 3.3Å; T210-F214 WeakPolarHBondContact O-CD2 3.29Å; T210-F214 WeakPolarHBondContact O-CG 3.41Å; T210-F214 PolarHBondContact O-N 3.5Å; F214-T218 PolarHBondContact O-OG1 3.03Å
215T42.9Very low42Very low78 Ų78105.4 Ų105.448%0.47954%0.536SS..Hα-helixtrans-74.7-43.1174.246.70000112.9N211 R212 K217 T218N211-T215 WeakPolarHBondContact O-CG2 3.47Å; N211-T215 PolarHBondContact O-N 2.76Å; N211-T215 PolarHBondContact O-OG1 3.31Å; R212-T215 WeakPolarHBondContact CA-OG1 3.38Å; R212-T215 PolarHBondContact O-OG1 3.26Å; T215-K217 VanDerWaalsContact C-N 3.26Å; T215-K217 PolarHBondContact O-N 3.48Å; T215-T218 PolarHBondContact O-N 3.03Å; T215-T218 VanDerWaalsContact O-N 3.08Å; T215-T218 PolarHBondContact O-OG1 3.14Å
216K38.8Very low41.9Very low149 Ų149103.6 Ų103.665%0.64852%0.524SS*.Hα-helixtrans-61.6-25.4-179.2-81.3-172.2175.6-172.30115R212R212-K216 WeakPolarHBondContact O-CB 3.46Å; R212-K216 WeakPolarHBondContact O-CG 3.46Å; R212-K216 PolarHBondContact O-N 2.88Å
217K40Very low41.7Very low169 Ų169105.6 Ų105.674%0.73553%0.534SS*.THydrogen-bonded Turntrans-82.7-16.4176.8-81.2-171.9176-176.60114T215T215-K217 VanDerWaalsContact C-N 3.26Å; T215-K217 PolarHBondContact O-N 3.48Å
218T36.9Very low41.4Very low99 Ų99109.2 Ų109.261%0.60755%0.552SS**THydrogen-bonded Turntrans-88.4-13.317980000113.7F214 T215F214-T218 PolarHBondContact O-OG1 3.03Å; T215-T218 PolarHBondContact O-N 3.03Å; T215-T218 VanDerWaalsContact O-N 3.08Å; T215-T218 PolarHBondContact O-OG1 3.14Å
219E33.8Very low41.1Very low163 Ų163113.7 Ų113.776%0.76256%0.562SS**SBendtrans-94.71.2177.5-69.8177.416500113.3
220L33Very low40.8Very low153 Ų153118.6 Ų118.680%0.80158%0.577SS**  trans-116.319.8-178.3-81.5161.9000113.5
221Q31.9Very low40.1Very low241 Ų241129 Ų129100%1.12663%0.628SS**  trans-132.20167.3-77.9-170.4-30.300109.3

Retrieved 221 of 221 residues in 788.6 ms (Link to these results)

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