A0A077YWV3_TRITR Loading...

Ras c3 botulinum toxin substrate 1

AlphaFold DB , UniProt , Accession A0A077YWV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 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
1M76.3Confident94.2Very high147 Ų14733.5 Ų33.572%0.72418%0.183SC*.  0121.90-164.8174.1-68.500106.7A3 N66 P73 N75M1-A3 PolarHBondContact O-N 3.34Å; M1-N66 HydrophobicContact SD-CB 4.34Å; M1-N66 PolarHBondContact SD-OD1 3.2Å; M1-N66 VanDerWaalsContact SD-OD1 3.4Å; M1-P73 HydrophobicContact CE-CB 4.25Å; M1-P73 HydrophobicContact CG-CB 4.15Å; M1-P73 WeakPolarHBondContact CG-O 3.28Å; M1-N75 HydrophobicContact CG-CB 4.13Å; M1-N75 HydrophobicContact SD-CB 3.93Å
2Q90.4Very high93.9Very high95 Ų9533 Ų3344%0.44419%0.192SC..EExtended strand (participates in β ladder)trans-72.7128.8-178.4179.5173.8-3.400108.8I4 P73 I74 N75Q2-I4 HydrophobicContact CG-CG1 4.43Å; Q2-P73 PolarHBondContact N-O 3.21Å; Q2-I74 HydrophobicContact CB-CD1 3.98Å; Q2-I74 WeakPolarHBondContact O-CA 3.49Å; Q2-N75 PolarHBondContact O-N 3.17Å
3A94.6Very high93.8Very high71 Ų7134.2 Ų34.259%0.58721%0.208SC*.EExtended strand (participates in β ladder)trans-85.8136.6173.700000109.5M1 N75M1-A3 PolarHBondContact O-N 3.34Å; A3-N75 CarbonylContact C-O 3.59Å; A3-N75 VanDerWaalsContact CA-O 3.31Å; A3-N75 WeakPolarHBondContact CA-O 3.33Å
4I96.7Very high94Very high3 Ų331.7 Ų31.72%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-129.7125.4175.2-64.8-178000108Q2 I74 N75 L76 G77 D99 V100 I196 V199 L200Q2-I4 HydrophobicContact CG-CG1 4.43Å; I4-I74 HydrophobicContact CB-CG2 4.27Å; I4-I74 HydrophobicContact CD1-CD1 4.39Å; I4-I74 HydrophobicContact CD1-CG2 3.74Å; I4-I74 HydrophobicContact CG1-CG2 3.97Å; I4-N75 PolarHBondContact N-O 3.24Å; I4-L76 HydrophobicContact CB-CD1 3.99Å; I4-L76 HydrophobicContact CG2-CD1 3.76Å; I4-L76 CarbonylContact O-C 3.58Å; I4-L76 WeakPolarHBondContact O-CA 3.47Å; I4-G77 PolarHBondContact O-N 3.33Å; I4-D99 WeakPolarHBondContact CA-OD2 3.34Å; I4-D99 HydrophobicContact CG2-CB 3.94Å; I4-V100 HydrophobicContact CG2-CG1 4.22Å; I4-I196 HydrophobicContact CD1-CB 4.46Å; I4-I196 HydrophobicContact CD1-CG1 4.33Å; I4-I196 HydrophobicContact CD1-CG2 4.08Å; I4-V199 HydrophobicContact CD1-CB 3.95Å; I4-V199 HydrophobicContact CD1-CG1 3.94Å; I4-V199 HydrophobicContact CD1-CG2 4.49Å; I4-V199 HydrophobicContact CG1-CG1 4.15Å; I4-V199 HydrophobicContact CG2-CB 4.49Å; I4-V199 HydrophobicContact CG2-CG2 3.98Å; I4-L200 HydrophobicContact CD1-CD2 4.48Å
5K95.8Very high94Very high31 Ų3130.3 Ų30.314%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-94.1116172.6177170171.1176.50110.4V7 S94 P96 D99 V100K5-V7 HydrophobicContact CG-CG2 4.46Å; K5-S94 WeakPolarHBondContact CE-O 3.3Å; K5-S94 PolarHBondContact NZ-O 2.99Å; K5-P96 PolarHBondContact NZ-O 2.8Å; K5-D99 PolarHBondContact N-OD2 2.84Å; K5-D99 WeakPolarHBondContact O-CB 3.16Å; K5-D99 PolarHBondContact O-N 3.33Å; K5-V100 PolarHBondContact O-N 3.26Å
6C96.9Very high94.1Very high0 Ų028.9 Ų28.90%018%0.178CC..EExtended strand (participates in β ladder)trans-111.8119.7176.9175.20000110.3L76 G77 L78 W79 V100C6-L76 HydrophobicContact CB-CD1 3.82Å; C6-G77 PolarHBondContact N-O 3.48Å; C6-L78 HydrophobicContact CB-CD2 4.09Å; C6-L78 WeakPolarHBondContact O-CA 3.49Å; C6-W79 PolarHBondContact O-N 3.14Å; C6-V100 WeakPolarHBondContact CA-O 3.43Å; C6-V100 HydrophobicContact CB-CG1 3.73Å
7V96.8Very high93.9Very high0 Ų028.2 Ų28.20%017%0.174CC..EExtended strand (participates in β ladder)trans-104.2134176.8179.40000110.2K5 V9 W79 T81 Y95 T98 V100 F101 L102K5-V7 HydrophobicContact CG-CG2 4.46Å; V7-V9 HydrophobicContact CG1-CG1 4.09Å; V7-W79 HydrophobicContact CB-CB 4.33Å; V7-W79 HydrophobicContact CG1-CB 4.39Å; V7-W79 HydrophobicContact CG2-CB 3.85Å; V7-W79 HydrophobicContact CG2-CG 4.19Å; V7-T81 HydrophobicContact CG1-CG2 3.84Å; V7-Y95 HydrophobicContact CG1-CD1 4.04Å; V7-Y95 HydrophobicContact CG1-CE1 3.94Å; V7-T98 HydrophobicContact CB-CG2 3.91Å; V7-T98 HydrophobicContact CG2-CG2 3.58Å; V7-T98 WeakPolarHBondContact CG2-OG1 3.33Å; V7-V100 PolarHBondContact N-O 3.3Å; V7-F101 HydrophobicContact CB-CD1 3.79Å; V7-F101 HydrophobicContact CB-CE1 3.66Å; V7-F101 HydrophobicContact CB-CZ 4.46Å; V7-F101 HydrophobicContact CG1-CD1 4.05Å; V7-F101 HydrophobicContact CG1-CE1 3.77Å; V7-F101 HydrophobicContact CG2-CE1 4.31Å; V7-F101 CarbonylContact O-C 3.43Å; V7-F101 WeakPolarHBondContact O-CA 3.4Å; V7-L102 PolarHBondContact O-N 2.83Å
8V96.9Very high93.8Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-109.4120.9-178.7-168.30000110K16 L20 W79 T81 L102 C104V8-K16 HydrophobicContact CG1-CB 3.88Å; V8-K16 HydrophobicContact CG1-CD 4.02Å; V8-K16 HydrophobicContact CG1-CG 3.92Å; V8-L20 HydrophobicContact CG2-CD1 4.13Å; V8-L20 HydrophobicContact CG2-CD2 3.66Å; V8-L20 HydrophobicContact CG2-CG 4.24Å; V8-W79 PolarHBondContact N-O 3.18Å; V8-T81 WeakPolarHBondContact O-CB 3.37Å; V8-T81 PolarHBondContact O-N 2.81Å; V8-T81 PolarHBondContact O-OG1 2.94Å; V8-L102 HydrophobicContact CB-CB 4.46Å; V8-L102 HydrophobicContact CG1-CB 4.12Å; V8-L102 HydrophobicContact CG2-CB 4.26Å; V8-L102 HydrophobicContact CG2-CD1 3.94Å; V8-L102 HydrophobicContact CG2-CG 4.31Å; V8-C104 VanDerWaalsContact CG1-SG 3.56Å
9V97.2Very high93.8Very high0 Ų026.1 Ų26.10%016%0.161CC..EExtended strand (participates in β ladder)trans-125.7166.8179.5-55.50000110.9V7 K16 T81 Y95 F101 L102 I103 C104 W120 V124V7-V9 HydrophobicContact CG1-CG1 4.09Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-T81 HydrophobicContact CG1-CG2 4.42Å; V9-Y95 HydrophobicContact CG1-CE1 3.89Å; V9-Y95 WeakPolarHBondContact CG1-OH 3.42Å; V9-F101 HydrophobicContact CG1-CD1 4.42Å; V9-L102 PolarHBondContact N-O 3.32Å; V9-I103 HydrophobicContact CG2-CB 4.35Å; V9-I103 HydrophobicContact CG2-CG1 3.75Å; V9-C104 PolarHBondContact O-N 2.99Å; V9-W120 HydrophobicContact CB-CE3 3.77Å; V9-W120 HydrophobicContact CB-CZ3 4.07Å; V9-W120 HydrophobicContact CG2-CE3 4.05Å; V9-V124 HydrophobicContact CG2-CG2 3.82Å
10G97.8Very high93.7Very high0 Ų024.8 Ų24.80%015%0.153CC..EExtended strand (participates in β ladder)trans139.8165.5-174.500000112K16 G83 C104 W120G10-K16 WeakPolarHBondContact O-CE 3.38Å; G10-K16 PolarHBondContact O-NZ 3.16Å; G10-G83 WeakPolarHBondContact O-CA 3.46Å; G10-C104 WeakPolarHBondContact CA-O 3.31Å; G10-W120 WeakPolarHBondContact O-CH2 3.4Å; G10-W120 WeakPolarHBondContact O-CZ2 3.42Å
11D96.5Very high93.5Very high21 Ų2125.4 Ų25.411%0.11216%0.155CC..SBendtrans-53160.7-176.4-81.815.6000113.4V14 K16 S112 N115 W120D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.24Å; D11-K16 PolarHBondContact O-NZ 3.25Å; D11-S112 VanDerWaalsContact OD2-CA 3.25Å; D11-S112 WeakPolarHBondContact OD2-CA 2.97Å; D11-S112 WeakPolarHBondContact OD2-CB 3.25Å; D11-N115 WeakPolarHBondContact OD1-CB 3.4Å; D11-N115 PolarHBondContact OD1-ND2 3.47Å; D11-N115 PolarHBondContact OD2-ND2 3.4Å; D11-W120 PolarHBondContact OD1-NE1 3.47Å
12G91Very high94.2Very high28 Ų2818.4 Ų18.429%0.28912%0.12SC..THydrogen-bonded Turntrans-53.4144.6165.900000111.5V14 G83G12-V14 PolarHBondContact O-N 3.09Å; G12-G83 PolarHBondContact N-O 3.13Å
13A92.5Very high94.4Very high48 Ų4815 Ų1540%0.39710%0.104SC..THydrogen-bonded Turntrans59.410.5174.800000117.3G15 Y32 K139A13-G15 PolarHBondContact O-N 3.16Å; A13-Y32 VanDerWaalsContact CA-OH 3.28Å; A13-Y32 WeakPolarHBondContact CA-OH 3.32Å; A13-Y32 HydrophobicContact CB-CE1 4.47Å; A13-Y32 PolarHBondContact N-OH 3.18Å; A13-K139 VanDerWaalsContact O-CE 3.23Å; A13-K139 WeakPolarHBondContact O-CE 3.47Å; A13-K139 PolarHBondContact O-NZ 3.01Å
14V96.6Very high94.1Very high0 Ų013.7 Ų13.70%09%0.088CC..SBendtrans-70.2-17.6172.8-580000112.6D11 G12 K16 C104 T138 K139D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.24Å; G12-V14 PolarHBondContact O-N 3.09Å; V14-K16 HydrophobicContact CG2-CD 4.35Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; V14-C104 HydrophobicContact CG2-CB 3.95Å; V14-T138 WeakPolarHBondContact O-CB 3.34Å; V14-T138 PolarHBondContact O-OG1 2.86Å; V14-K139 WeakPolarHBondContact O-CE 3.47Å
15G94.7Very high93.6Very high11 Ų1117.2 Ų17.211%0.11311%0.11CC..SBendtrans103.827.5176.200000115.2A13 C18 L19A13-G15 PolarHBondContact O-N 3.16Å; G15-C18 PolarHBondContact O-N 2.85Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å
16K94.8Very high93.1Very high7 Ų722 Ų223%0.0314%0.138CC..Hα-helixtrans-58.3-56.3175.8-57.1-172.3-58.4-73.80111.9V8 V9 G10 D11 V14 C18 L19 L20 T81 C104V8-K16 HydrophobicContact CG1-CB 3.88Å; V8-K16 HydrophobicContact CG1-CD 4.02Å; V8-K16 HydrophobicContact CG1-CG 3.92Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; G10-K16 WeakPolarHBondContact O-CE 3.38Å; G10-K16 PolarHBondContact O-NZ 3.16Å; D11-K16 PolarHBondContact O-NZ 3.25Å; V14-K16 HydrophobicContact CG2-CD 4.35Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; K16-C18 VanDerWaalsContact C-N 3.35Å; K16-C18 PolarHBondContact O-N 3.25Å; K16-L19 WeakPolarHBondContact O-CB 3.44Å; K16-L19 PolarHBondContact O-N 3.1Å; K16-L19 VanDerWaalsContact O-N 3.11Å; K16-L20 WeakPolarHBondContact O-CG 3.39Å; K16-L20 PolarHBondContact O-N 3.13Å; K16-T81 WeakPolarHBondContact CE-O 3.37Å; K16-T81 PolarHBondContact NZ-O 2.96Å; K16-C104 HydrophobicContact CG-CB 4.03Å
17T90.5Very high92.2Very high18 Ų1824.5 Ų24.511%0.1116%0.158CC..Hα-helixtrans-58-45.7177-45.90000111.8L19 L20 I21 T35 D80T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 3.38Å; T17-L20 PolarHBondContact O-N 2.88Å; T17-I21 HydrophobicContact CG2-CD1 3.8Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.4Å; T17-T35 PolarHBondContact OG1-OG1 3.49Å; T17-D80 VanDerWaalsContact CA-OD2 3.28Å; T17-D80 WeakPolarHBondContact CA-OD2 3.47Å; T17-D80 WeakPolarHBondContact CB-OD2 3.43Å; T17-D80 WeakPolarHBondContact CG2-OD2 3.38Å; T17-D80 PolarHBondContact OG1-OD2 2.82Å
18C92.4Very high91Very high15 Ų1528.7 Ų28.710%0.10118%0.176CC..Hα-helixtrans-59.4-40.3176.6-58.40000112.3G15 K16 S22 F28 P29 A182G15-C18 PolarHBondContact O-N 2.85Å; K16-C18 VanDerWaalsContact C-N 3.35Å; K16-C18 PolarHBondContact O-N 3.25Å; C18-S22 WeakPolarHBondContact O-CB 3.41Å; C18-S22 PolarHBondContact O-N 3.41Å; C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.77Å; C18-F28 HydrophobicContact CB-CZ 4.31Å; C18-P29 HydrophobicContact CB-CG 4.37Å; C18-A182 HydrophobicContact CB-CB 4.12Å
19L93.8Very high89.9Confident1 Ų130.2 Ų30.21%0.00519%0.186CC..Hα-helixtrans-63.5-44.9176.517562.2000111.6G15 K16 T17 Y23 V136 V188 V191 F192G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å; K16-L19 WeakPolarHBondContact O-CB 3.44Å; K16-L19 PolarHBondContact O-N 3.1Å; K16-L19 VanDerWaalsContact O-N 3.11Å; T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 3.38Å; L19-Y23 WeakPolarHBondContact O-CB 3.27Å; L19-Y23 PolarHBondContact O-N 2.75Å; L19-V136 HydrophobicContact CD2-CG1 4.23Å; L19-V188 HydrophobicContact CD1-CB 4.45Å; L19-V188 HydrophobicContact CD1-CG1 4.03Å; L19-V188 HydrophobicContact CD1-CG2 4.15Å; L19-V191 HydrophobicContact CD2-CG1 4.42Å; L19-F192 HydrophobicContact CD1-CE2 3.97Å; L19-F192 HydrophobicContact CD1-CZ 4.36Å; L19-F192 HydrophobicContact CD2-CZ 4.42Å; L19-F192 HydrophobicContact CG-CE2 4.07Å; L19-F192 HydrophobicContact CG-CZ 3.95Å
20L92.9Very high88Confident0 Ų034.2 Ų34.20%023%0.228CC..Hα-helixtrans-67.3-45.3179.6-64.1177.3000112.1V8 K16 T17 Y23 T24 Y63 L78 D80 F192V8-L20 HydrophobicContact CG2-CD1 4.13Å; V8-L20 HydrophobicContact CG2-CD2 3.66Å; V8-L20 HydrophobicContact CG2-CG 4.24Å; K16-L20 WeakPolarHBondContact O-CG 3.39Å; K16-L20 PolarHBondContact O-N 3.13Å; T17-L20 PolarHBondContact O-N 2.88Å; L20-Y23 PolarHBondContact O-N 2.73Å; L20-T24 WeakPolarHBondContact O-CB 3.31Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 2.94Å; L20-T24 PolarHBondContact O-OG1 2.88Å; L20-Y63 HydrophobicContact CB-CD2 4.25Å; L20-Y63 HydrophobicContact CB-CE2 4.3Å; L20-Y63 HydrophobicContact CD1-CD2 4.41Å; L20-Y63 HydrophobicContact CD1-CE2 4.5Å; L20-L78 HydrophobicContact CD2-CB 4.03Å; L20-L78 HydrophobicContact CD2-CD1 4.12Å; L20-L78 HydrophobicContact CD2-CD2 3.93Å; L20-L78 HydrophobicContact CD2-CG 4.25Å; L20-D80 HydrophobicContact CD1-CB 3.37Å; L20-F192 HydrophobicContact CD2-CE1 3.82Å; L20-F192 HydrophobicContact CD2-CZ 3.79Å
21I89.2Confident86.5Confident37 Ų3741.7 Ų41.719%0.1926%0.263CS..Hα-helixtrans-61.6-48.1175.1-67.2172.7000110T17 Y23 T24 T25 P29 Y63T17-I21 HydrophobicContact CG2-CD1 3.8Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.4Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 3.42Å; I21-T24 PolarHBondContact O-N 3.3Å; I21-T24 PolarHBondContact O-OG1 2.96Å; I21-T25 HydrophobicContact CG2-CG2 4.33Å; I21-T25 WeakPolarHBondContact O-CB 3.22Å; I21-T25 PolarHBondContact O-N 2.95Å; I21-T25 PolarHBondContact O-OG1 3.29Å; I21-P29 HydrophobicContact CD1-CB 4.41Å; I21-P29 HydrophobicContact CD1-CG 4.34Å; I21-Y63 HydrophobicContact CG1-CE1 4.47Å
22S91.1Very high84.8Confident0 Ų046.5 Ų46.50%028%0.28CS..Hα-helixtrans-55.6-42178.9167.90000112.5C18 N26 A27 A182 Q185C18-S22 WeakPolarHBondContact O-CB 3.41Å; C18-S22 PolarHBondContact O-N 3.41Å; S22-N26 WeakPolarHBondContact O-CA 3.33Å; S22-N26 PolarHBondContact O-N 2.8Å; S22-A27 VanDerWaalsContact CA-O 3.25Å; S22-A27 WeakPolarHBondContact CA-O 3.32Å; S22-A182 PolarHBondContact OG-O 2.98Å; S22-A182 VanDerWaalsContact OG-O 3.11Å; S22-Q185 PolarHBondContact O-NE2 3.23Å; S22-Q185 PolarHBondContact OG-NE2 3.42Å; S22-Q185 PolarHBondContact OG-OE1 2.69Å
23Y93.6Very high83.3Confident25 Ų2551 Ų5110%0.09830%0.296CS..Hα-helixtrans-71.9-42.7177.1175.1-113.1000113.7L19 L20 I21 A65 V67 L76 L78 V188 F192L19-Y23 WeakPolarHBondContact O-CB 3.27Å; L19-Y23 PolarHBondContact O-N 2.75Å; L20-Y23 PolarHBondContact O-N 2.73Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 3.42Å; Y23-A65 HydrophobicContact CE1-CB 3.82Å; Y23-V67 WeakPolarHBondContact OH-CG1 3.31Å; Y23-L76 HydrophobicContact CE1-CD2 4.02Å; Y23-L78 HydrophobicContact CD1-CD1 3.85Å; Y23-L78 HydrophobicContact CE1-CD1 4.08Å; Y23-V188 HydrophobicContact CD2-CG1 4.33Å; Y23-F192 HydrophobicContact CD1-CD1 4.12Å; Y23-F192 AromaticContact CD1-CD2 3.73Å; Y23-F192 HydrophobicContact CD1-CD2 3.73Å; Y23-F192 HydrophobicContact CD1-CE1 4.18Å; Y23-F192 AromaticContact CD1-CE2 3.84Å; Y23-F192 HydrophobicContact CD1-CE2 3.84Å; Y23-F192 AromaticContact CD1-CG 3.87Å; Y23-F192 HydrophobicContact CD1-CG 3.87Å; Y23-F192 HydrophobicContact CD1-CZ 4.03Å; Y23-F192 HydrophobicContact CD2-CB 4.22Å; Y23-F192 AromaticContact CD2-CD2 3.23Å; Y23-F192 HydrophobicContact CD2-CD2 3.23Å; Y23-F192 AromaticContact CD2-CE2 3.78Å; Y23-F192 HydrophobicContact CD2-CE2 3.78Å; Y23-F192 AromaticContact CD2-CG 3.87Å; Y23-F192 HydrophobicContact CD2-CG 3.87Å; Y23-F192 HydrophobicContact CE1-CB 4.1Å; Y23-F192 HydrophobicContact CE1-CD1 4.09Å; Y23-F192 HydrophobicContact CE1-CD2 4.08Å; Y23-F192 AromaticContact CE1-CG 3.8Å; Y23-F192 HydrophobicContact CE1-CG 3.8Å; Y23-F192 HydrophobicContact CE2-CB 3.65Å; Y23-F192 AromaticContact CE2-CD2 3.61Å; Y23-F192 HydrophobicContact CE2-CD2 3.61Å; Y23-F192 AromaticContact CE2-CG 3.78Å; Y23-F192 HydrophobicContact CE2-CG 3.78Å; Y23-F192 HydrophobicContact CG-CD1 4.49Å; Y23-F192 AromaticContact CG-CD2 3.28Å; Y23-F192 HydrophobicContact CG-CD2 3.28Å; Y23-F192 AromaticContact CG-CE2 3.36Å; Y23-F192 HydrophobicContact CG-CE2 3.36Å; Y23-F192 AromaticContact CG-CG 3.89Å; Y23-F192 HydrophobicContact CG-CG 3.89Å; Y23-F192 AromaticContact CG-CZ 3.99Å; Y23-F192 HydrophobicContact CG-CZ 3.99Å; Y23-F192 AromaticContact CZ-CG 3.73Å
24T89.4Confident81.6Confident42 Ų4250 Ų5026%0.25829%0.285SS..Hα-helixtrans-80.9-26.5-172.552.70000113.1L20 I21 Y63 L78L20-T24 WeakPolarHBondContact O-CB 3.31Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 2.94Å; L20-T24 PolarHBondContact O-OG1 2.88Å; I21-T24 PolarHBondContact O-N 3.3Å; I21-T24 PolarHBondContact O-OG1 2.96Å; T24-Y63 HydrophobicContact CG2-CD1 4.43Å; T24-Y63 HydrophobicContact CG2-CG 4.3Å; T24-L78 HydrophobicContact CG2-CD1 3.59Å
25T86.2Confident79.7Confident78 Ų7851.3 Ų51.348%0.47929%0.294SS..Hα-helixtrans-115.3-9-175.1690000113.9I21 A27I21-T25 HydrophobicContact CG2-CG2 4.33Å; I21-T25 WeakPolarHBondContact O-CB 3.22Å; I21-T25 PolarHBondContact O-N 2.95Å; I21-T25 PolarHBondContact O-OG1 3.29Å; T25-A27 PolarHBondContact O-N 3.08Å; T25-A27 PolarHBondContact OG1-N 3.32Å; T25-A27 PolarHBondContact OG1-O 3.43Å
26N84.9Confident78Confident132 Ų13252.4 Ų52.471%0.70630%0.298SS*.SBendtrans55.720.8-168.1-60.9-62.3000114S22S22-N26 WeakPolarHBondContact O-CA 3.33Å; S22-N26 PolarHBondContact O-N 2.8Å
27A76.9Confident75.5Confident52 Ų5261.1 Ų61.143%0.4333%0.332SS..SBendtrans-129.8152.3-179.900000111.9S22 T25S22-A27 VanDerWaalsContact CA-O 3.25Å; S22-A27 WeakPolarHBondContact CA-O 3.32Å; T25-A27 PolarHBondContact O-N 3.08Å; T25-A27 PolarHBondContact OG1-N 3.32Å; T25-A27 PolarHBondContact OG1-O 3.43Å
28F71.9Confident73.2Confident87 Ų8762.4 Ų62.438%0.38235%0.349SS..  trans-97.6135.2174.8-169.7-97.8000110.2C18 G30 A182 L183C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.77Å; C18-F28 HydrophobicContact CB-CZ 4.31Å; F28-G30 PolarHBondContact O-N 2.87Å; F28-A182 VanDerWaalsContact CD2-C 3.4Å; F28-A182 HydrophobicContact CD2-CB 3.93Å; F28-A182 WeakPolarHBondContact CD2-O 3.29Å; F28-A182 HydrophobicContact CE2-CB 3.81Å; F28-L183 HydrophobicContact CB-CD1 4.4Å; F28-L183 HydrophobicContact CD1-CD1 3.69Å; F28-L183 VanDerWaalsContact CD2-CA 3.44Å; F28-L183 HydrophobicContact CD2-CB 4.13Å; F28-L183 HydrophobicContact CD2-CD1 4.4Å; F28-L183 HydrophobicContact CE1-CD1 4Å; F28-L183 HydrophobicContact CE2-CB 4.06Å; F28-L183 HydrophobicContact CG-CB 4.46Å; F28-L183 HydrophobicContact CG-CD1 3.9Å; F28-L183 HydrophobicContact CZ-CB 4.37Å; F28-L183 HydrophobicContact CZ-CD1 4.45Å
29P74.2Confident70.9Confident32 Ų3267.6 Ų67.621%0.20839%0.386CS..  trans-66.9128.5178.527.6-33.8000110.7C18 I21 E31C18-P29 HydrophobicContact CB-CG 4.37Å; I21-P29 HydrophobicContact CD1-CB 4.41Å; I21-P29 HydrophobicContact CD1-CG 4.34Å; P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.35Å
30G57.3Low68.3Low85 Ų8574.2 Ų74.288%0.87642%0.42SS*.SBendtrans-70.3-23.4-17800000114.6F28F28-G30 PolarHBondContact O-N 2.87Å
31E66.8Low65.4Low156 Ų15680.5 Ų80.573%0.72945%0.452SS*.SBendtrans-124137.2176.2-67.4-172.4163.600110.6P29 I33P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.35Å; E31-I33 PolarHBondContact O-N 2.93Å
32Y59.3Low62.8Low123 Ų12385.4 Ų85.448%0.48248%0.478SS..  trans-81.4108.9173.5177.6-105.2000110A13 P34A13-Y32 VanDerWaalsContact CA-OH 3.28Å; A13-Y32 WeakPolarHBondContact CA-OH 3.32Å; A13-Y32 HydrophobicContact CB-CE1 4.47Å; A13-Y32 PolarHBondContact N-OH 3.18Å; Y32-P34 HydrophobicContact CD1-CG 4.31Å; Y32-P34 HydrophobicContact CE1-CB 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.7Å
33I59.9Low59.9Low121 Ų12190.4 Ų90.462%0.62151%0.509SS*.  trans-107116.1170.8-56.3173.3000106.8E31 T35E31-I33 PolarHBondContact O-N 2.93Å; I33-T35 PolarHBondContact O-N 3Å
34P56.8Low57Low27 Ų2795.1 Ų95.118%0.17553%0.534CS..  trans-55.1136.2174.2-26.936.7000110.7Y32 V36 Y37Y32-P34 HydrophobicContact CD1-CG 4.31Å; Y32-P34 HydrophobicContact CE1-CB 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.7Å; P34-V36 CarbonylContact O-C 3.29Å; P34-V36 PolarHBondContact O-N 2.94Å; P34-Y37 HydrophobicContact CG-CD2 3.94Å
35T56.1Low54.3Low28 Ų2899.8 Ų99.817%0.17256%0.562CS.*SBendtrans-49.9-32.6-179.3-36.50000112.2T17 I33 D80T17-T35 PolarHBondContact OG1-OG1 3.49Å; I33-T35 PolarHBondContact O-N 3Å; T35-D80 HydrophobicContact CG2-CB 4.45Å; T35-D80 WeakPolarHBondContact CG2-OD2 3.17Å
36V59.4Low51.5Low35 Ų35104.7 Ų104.721%0.21258%0.577CS.*SBendtrans-133.7117.9164.1-158.70000108.4P34 A82 Y87P34-V36 CarbonylContact O-C 3.29Å; P34-V36 PolarHBondContact O-N 2.94Å; V36-A82 HydrophobicContact CG2-CB 3.82Å; V36-Y87 HydrophobicContact CB-CE1 3.89Å; V36-Y87 HydrophobicContact CB-CE2 3.83Å; V36-Y87 VanDerWaalsContact CB-CZ 3.43Å; V36-Y87 WeakPolarHBondContact CB-OH 3.2Å; V36-Y87 HydrophobicContact CG1-CE1 3.59Å; V36-Y87 HydrophobicContact CG1-CE2 4.24Å; V36-Y87 WeakPolarHBondContact CG1-OH 3.43Å; V36-Y87 HydrophobicContact CG2-CD1 4.38Å; V36-Y87 HydrophobicContact CG2-CE1 4.02Å; V36-Y87 HydrophobicContact CG2-CE2 4.35Å
37Y42Very low48.9Very low189 Ų189104.2 Ų104.274%0.74158%0.579SS**  trans-111.1128.8170.9-168.2-98.4000107.5P34P34-Y37 HydrophobicContact CG-CD2 3.94Å
38G43Very low46.7Very low45 Ų45110.6 Ų110.646%0.46460%0.597SS.*SBendtrans22.3114.6171.300000119.1I40G38-I40 VanDerWaalsContact C-N 3.26Å; G38-I40 PolarHBondContact O-N 2.65Å
39S44.9Very low44.8Very low125 Ų125114.2 Ų114.287%0.87462%0.618SS**SBendtrans33.5-19.5156.140.90000123.9
40I37.5Very low42.9Very low140 Ų140119.2 Ų119.272%0.71864%0.642SS**SBendtrans-148108.6-171.9-63.8177.5000110.7G38G38-I40 VanDerWaalsContact C-N 3.26Å; G38-I40 PolarHBondContact O-N 2.65Å
41L33.2Very low42.1Very low131 Ų131121 Ų12169%0.68664%0.636SS**  trans27.3100.3132.1-164.577.6000117.5V43L41-V43 HydrophobicContact CD1-CG2 4.12Å; L41-V43 HydrophobicContact CD2-CG2 4.07Å; L41-V43 HydrophobicContact CG-CG2 3.89Å
42L34.1Very low40.6Very low141 Ų141123.4 Ų123.474%0.73864%0.644SS**  trans-110.5102.4149.7-158.779.9000110.4I44 R59L42-I44 PolarHBondContact O-N 2.77Å; L42-R59 PolarHBondContact O-NH2 2.84Å
43V30.4Very low39.6Very low105 Ų105121 Ų12164%0.63665%0.65SS**  trans-63.3107.5168.1174.80000109.3L41L41-V43 HydrophobicContact CD1-CG2 4.12Å; L41-V43 HydrophobicContact CD2-CG2 4.07Å; L41-V43 HydrophobicContact CG-CG2 3.89Å
44I33Very low38.5Very low124 Ų124122 Ų12264%0.63666%0.664SS**  trans-154.796.2147.8-47.8-179.9000109.1L42L42-I44 PolarHBondContact O-N 2.77Å
45V32Very low37.7Very low139 Ų139126.5 Ų126.584%0.84269%0.691SS**SBend-151.8130127.2178.90000106.4
46F28.9Very low36.8Very low182 Ų182131.6 Ų131.680%0.79872%0.716SS**  trans-52.5145.8-176.9-97.2-112.2000115.6
47T29.6Very low35.7Very low121 Ų121136.6 Ų136.674%0.74274%0.741SS**  trans85.6119.6148.717.90000122.5
48K31Very low35.7Very low187 Ų187129.5 Ų129.581%0.81372%0.716SS**  trans95.3103.8144.7-71.8-175.7175179.40120.4
49M31.6Very low35.9Very low163 Ų163132.4 Ų132.480%0.80371%0.713SS**  trans60.6118.2134.9-75.1-178.3120.800120.7
50L34.7Very low36.2Very low137 Ų137128.2 Ų128.272%0.71768%0.679SS**  trans50.8118.3130.6-70.9146000116.5
51T40.1Very low37.3Very low123 Ų123124 Ų12476%0.75566%0.658SS**  -166.7158.850.140.30000111.6
52F35.3Very low38.9Very low206 Ų206122.3 Ų122.390%0.90465%0.65SS**  trans-31.4122.7175.4-67.6-99.3000118.7
53A38Very low41Very low73 Ų73118.3 Ų118.360%0.60363%0.625SS**  trans-161125.5131.700000108V55A53-V55 HydrophobicContact CB-CG2 4.36Å; A53-V55 PolarHBondContact O-N 2.91Å
54P36.4Very low43.5Very low140 Ų140117.4 Ų117.491%0.90962%0.624SS**  trans-78.974.6175.133.9-30.4000108.1
55V41.3Very low45.9Very low122 Ų122112.3 Ų112.374%0.73960%0.6SS**  trans-98.2106.4163.3-175.50000106.3A53 L57A53-V55 HydrophobicContact CB-CG2 4.36Å; A53-V55 PolarHBondContact O-N 2.91Å; V55-L57 PolarHBondContact O-N 3.49Å
56L36.5Very low48.7Very low136 Ų136111.1 Ų111.171%0.71259%0.589SS**  trans-24.1103.1171.3-171.568.1000111.9L58L56-L58 VanDerWaalsContact C-N 3.25Å; L56-L58 PolarHBondContact O-N 2.94Å
57L35.5Very low51.7Low139 Ų139104.2 Ų104.273%0.72856%0.561SS**  trans-74.877.2-173.2-143154.9000109V55 R59V55-L57 PolarHBondContact O-N 3.49Å; L57-R59 HydrophobicContact CD2-CG 3.71Å; L57-R59 PolarHBondContact O-N 2.89Å; L57-R59 VanDerWaalsContact O-N 3.07Å
58L43.3Very low54.7Low41 Ų41104 Ų10422%0.21555%0.553CS.*  trans-66.799.4161.6-78.4150.7000107.1L56 F60 Y87 L90 L93L56-L58 VanDerWaalsContact C-N 3.25Å; L56-L58 PolarHBondContact O-N 2.94Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 HydrophobicContact CB-CD2 4.4Å; L58-F60 HydrophobicContact CB-CE2 3.88Å; L58-F60 HydrophobicContact CB-CZ 4.38Å; L58-F60 WeakPolarHBondContact O-CD2 3.4Å; L58-F60 PolarHBondContact O-N 3.29Å; L58-Y87 HydrophobicContact CD2-CD1 4.07Å; L58-L90 HydrophobicContact CD1-CB 3.55Å; L58-L90 HydrophobicContact CD1-CD1 3.8Å; L58-L90 HydrophobicContact CD1-CD2 3.8Å; L58-L90 HydrophobicContact CD1-CG 3.85Å; L58-L90 HydrophobicContact CD2-CB 3.72Å; L58-L90 HydrophobicContact CD2-CD1 3.47Å; L58-L90 VanDerWaalsContact CD2-CD1 3.47Å; L58-L90 HydrophobicContact CD2-CG 4.15Å; L58-L90 HydrophobicContact CG-CB 4.23Å; L58-L90 HydrophobicContact CG-CD1 4.01Å; L58-L93 HydrophobicContact CD1-CD1 4.01Å
59R47.2Very low57.7Low106 Ų10695.2 Ų95.240%0.452%0.515SS..  trans-63.897.8173.3-75-157.6-162.6-15313.6109.1L42 L57L42-R59 PolarHBondContact O-NH2 2.84Å; L57-R59 HydrophobicContact CD2-CG 3.71Å; L57-R59 PolarHBondContact O-N 2.89Å; L57-R59 VanDerWaalsContact O-N 3.07Å
60F51Low60.7Low36 Ų3691.2 Ų91.216%0.15850%0.497CS..  trans-84.8112.8147.9-58.6-72.2000105.5L58 N62 W79 D80 T81 S94L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 HydrophobicContact CB-CD2 4.4Å; L58-F60 HydrophobicContact CB-CE2 3.88Å; L58-F60 HydrophobicContact CB-CZ 4.38Å; L58-F60 WeakPolarHBondContact O-CD2 3.4Å; L58-F60 PolarHBondContact O-N 3.29Å; F60-N62 PolarHBondContact O-N 3.17Å; F60-N62 PolarHBondContact O-ND2 2.94Å; F60-W79 HydrophobicContact CB-CE3 3.82Å; F60-W79 HydrophobicContact CB-CZ3 4.09Å; F60-W79 HydrophobicContact CD2-CE3 4.41Å; F60-W79 HydrophobicContact CD2-CZ3 4.17Å; F60-W79 AromaticContact CG-CE3 4Å; F60-W79 HydrophobicContact CG-CE3 4Å; F60-W79 HydrophobicContact CG-CZ3 4.19Å; F60-D80 VanDerWaalsContact CD1-O 3.29Å; F60-D80 WeakPolarHBondContact CD1-O 3.26Å; F60-T81 HydrophobicContact CD1-CG2 4.29Å; F60-T81 HydrophobicContact CE1-CG2 4.14Å; F60-S94 WeakPolarHBondContact CD1-OG 3.46Å; F60-S94 WeakPolarHBondContact CE1-OG 3.42Å; F60-S94 VanDerWaalsContact CE2-OG 3.29Å; F60-S94 WeakPolarHBondContact CE2-OG 3.49Å; F60-S94 WeakPolarHBondContact CG-OG 3.36Å; F60-S94 WeakPolarHBondContact CZ-OG 3.44Å
61D60.3Low63.5Low53 Ų5387.6 Ų87.628%0.28349%0.493SS..  trans-68.8105.8169.9-72.2-37000107.1Y63D61-Y63 HydrophobicContact CB-CD2 4.11Å; D61-Y63 HydrophobicContact CB-CE2 3.36Å; D61-Y63 WeakPolarHBondContact O-CD2 3.47Å; D61-Y63 PolarHBondContact O-N 3.34Å
62N66.1Low66Low95 Ų9585.6 Ų85.651%0.50847%0.474SS..EExtended strand (participates in β ladder)trans-83.5100.1175.3-78.7-68.8000108.1F60 L78 W79F60-N62 PolarHBondContact O-N 3.17Å; F60-N62 PolarHBondContact O-ND2 2.94Å; N62-L78 WeakPolarHBondContact CA-O 3.39Å; N62-W79 VanDerWaalsContact OD1-CD2 3.23Å; N62-W79 VanDerWaalsContact OD1-CZ2 3.31Å; N62-W79 WeakPolarHBondContact OD1-CZ2 3.39Å; N62-W79 PolarHBondContact OD1-NE1 3.26Å
63Y78.2Confident68.9Low56 Ų5678.9 Ų78.922%0.2245%0.451CS..EExtended strand (participates in β ladder)trans-90.7150.8168.6-52.5-93.2000109.5L20 I21 T24 D61 L78L20-Y63 HydrophobicContact CB-CD2 4.25Å; L20-Y63 HydrophobicContact CB-CE2 4.3Å; L20-Y63 HydrophobicContact CD1-CD2 4.41Å; L20-Y63 HydrophobicContact CD1-CE2 4.5Å; I21-Y63 HydrophobicContact CG1-CE1 4.47Å; T24-Y63 HydrophobicContact CG2-CD1 4.43Å; T24-Y63 HydrophobicContact CG2-CG 4.3Å; D61-Y63 HydrophobicContact CB-CD2 4.11Å; D61-Y63 HydrophobicContact CB-CE2 3.36Å; D61-Y63 WeakPolarHBondContact O-CD2 3.47Å; D61-Y63 PolarHBondContact O-N 3.34Å; Y63-L78 PolarHBondContact N-O 3.29Å; Y63-L78 VanDerWaalsContact N-O 3.11Å; Y63-L78 PolarHBondContact O-N 3.15Å
64S82.8Confident71.6Confident87 Ų8775.4 Ų75.461%0.60842%0.422SS*.EExtended strand (participates in β ladder)trans-131.8144.8170.461.40000110.2L76S64-L76 CarbonylContact C-O 3.51Å; S64-L76 VanDerWaalsContact CA-O 3.28Å; S64-L76 WeakPolarHBondContact CA-O 3.08Å
65A85.3Confident74.4Confident17 Ų1771.6 Ų71.614%0.1439%0.394CS..EExtended strand (participates in β ladder)trans-136.7126.3177.100000109.7Y23 V67 L76Y23-A65 HydrophobicContact CE1-CB 3.82Å; A65-V67 HydrophobicContact CB-CG1 4.13Å; A65-L76 PolarHBondContact N-O 2.93Å; A65-L76 PolarHBondContact O-N 2.75Å
66N90.2Very high76.9Confident114 Ų11465.8 Ų65.861%0.6136%0.359SS*.EExtended strand (participates in β ladder)trans-89.2112.5169.9-66.9-36.8000108.3M1 I74M1-N66 HydrophobicContact SD-CB 4.34Å; M1-N66 PolarHBondContact SD-OD1 3.2Å; M1-N66 VanDerWaalsContact SD-OD1 3.4Å; N66-I74 WeakPolarHBondContact CA-O 3.28Å
67V92.2Very high79.7Confident36 Ų3660.2 Ų60.222%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-133.1156.9-174-63.90000112.2Y23 A65 V69 I74 I196Y23-V67 WeakPolarHBondContact OH-CG1 3.31Å; A65-V67 HydrophobicContact CB-CG1 4.13Å; V67-V69 HydrophobicContact CG2-CG2 4.28Å; V67-I74 HydrophobicContact CG2-CB 4.37Å; V67-I74 PolarHBondContact N-O 3.13Å; V67-I74 PolarHBondContact O-N 3.33Å; V67-I196 HydrophobicContact CG2-CD1 3.55Å
68M92.2Very high82.5Confident117 Ų11753.6 Ų53.658%0.57630%0.3SS*.EExtended strand (participates in β ladder)trans-103.6116.8173.1-70-68.5-72.600109G71 P73M68-G71 WeakPolarHBondContact CE-O 3.5Å; M68-P73 VanDerWaalsContact SD-CA 3.58Å; M68-P73 HydrophobicContact SD-CB 3.74Å
69V93.8Very high84.9Confident2 Ų254.6 Ų54.61%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-123.1123.7173179.20000108.5V67 G71 K72 I196 R197V67-V69 HydrophobicContact CG2-CG2 4.28Å; V69-G71 PolarHBondContact O-N 3.46Å; V69-G71 VanDerWaalsContact O-N 3.16Å; V69-K72 PolarHBondContact N-O 3.06Å; V69-K72 VanDerWaalsContact N-O 3.13Å; V69-K72 PolarHBondContact O-N 3.37Å; V69-I196 HydrophobicContact CB-CB 4.45Å; V69-I196 HydrophobicContact CB-CG2 3.7Å; V69-I196 HydrophobicContact CG1-CB 4.37Å; V69-I196 HydrophobicContact CG1-CG2 3.81Å; V69-I196 HydrophobicContact CG2-CB 4.14Å; V69-I196 HydrophobicContact CG2-CD1 3.58Å; V69-I196 HydrophobicContact CG2-CG1 4.46Å; V69-I196 HydrophobicContact CG2-CG2 3.83Å; V69-R197 HydrophobicContact CG1-CG 4.03Å
70D94.3Very high87Confident79 Ų7949.5 Ų49.542%0.42228%0.282SS..THydrogen-bonded Turntrans49.241.6-178.8-50.9-19.7000112.7K72 R197 Y201D70-K72 VanDerWaalsContact C-N 3.27Å; D70-K72 PolarHBondContact O-N 3.11Å; D70-R197 IonicContact OD1-CZ 2.71Å; D70-R197 IonicContact OD1-NE 3.25Å; D70-R197 PolarHBondContact OD1-NE 3.22Å; D70-R197 IonicContact OD1-NH2 3.03Å; D70-R197 PolarHBondContact OD1-NH2 2.78Å; D70-R197 WeakPolarHBondContact OD2-CG 3.39Å; D70-R197 IonicContact OD2-NE 3.1Å; D70-R197 PolarHBondContact OD2-NE 3.45Å; D70-R197 VanDerWaalsContact OD2-NE 3.1Å; D70-Y201 WeakPolarHBondContact OD2-CE2 3.45Å
71G93.3Very high88.8Confident61 Ų6147.8 Ų47.863%0.62927%0.274SS*.THydrogen-bonded Turntrans77.40.2179.500000115.6M68 V69M68-G71 WeakPolarHBondContact CE-O 3.5Å; V69-G71 PolarHBondContact O-N 3.46Å; V69-G71 VanDerWaalsContact O-N 3.16Å
72K93.3Very high90.1Very high82 Ų8245.8 Ų45.836%0.35727%0.265SS..EExtended strand (participates in β ladder)trans-100.7131.1179.7-66.2174.1-179.21680111.1V69 D70 I74 L200 Y201V69-K72 PolarHBondContact N-O 3.06Å; V69-K72 VanDerWaalsContact N-O 3.13Å; V69-K72 PolarHBondContact O-N 3.37Å; D70-K72 VanDerWaalsContact C-N 3.27Å; D70-K72 PolarHBondContact O-N 3.11Å; K72-I74 HydrophobicContact CB-CD1 4.28Å; K72-I74 PolarHBondContact O-N 3.21Å; K72-L200 HydrophobicContact CD-CD1 4.13Å; K72-L200 HydrophobicContact CD-CD2 4.35Å; K72-Y201 PolarHBondContact NZ-OH 3.07Å
73P95.1Very high90.8Very high64 Ų6441.8 Ų41.842%0.41625%0.246SC..EExtended strand (participates in β ladder)trans-78121.5174.130.8-33.4000110.6M1 Q2 M68M1-P73 HydrophobicContact CE-CB 4.25Å; M1-P73 HydrophobicContact CG-CB 4.15Å; M1-P73 WeakPolarHBondContact CG-O 3.28Å; Q2-P73 PolarHBondContact N-O 3.21Å; M68-P73 VanDerWaalsContact SD-CA 3.58Å; M68-P73 HydrophobicContact SD-CB 3.74Å
74I96.1Very high91Very high1 Ų142.8 Ų42.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-120.1135.8-176.5-55.6-57.4000109.8Q2 I4 N66 V67 K72 I196 L200Q2-I74 HydrophobicContact CB-CD1 3.98Å; Q2-I74 WeakPolarHBondContact O-CA 3.49Å; I4-I74 HydrophobicContact CB-CG2 4.27Å; I4-I74 HydrophobicContact CD1-CD1 4.39Å; I4-I74 HydrophobicContact CD1-CG2 3.74Å; I4-I74 HydrophobicContact CG1-CG2 3.97Å; N66-I74 WeakPolarHBondContact CA-O 3.28Å; V67-I74 HydrophobicContact CG2-CB 4.37Å; V67-I74 PolarHBondContact N-O 3.13Å; V67-I74 PolarHBondContact O-N 3.33Å; K72-I74 HydrophobicContact CB-CD1 4.28Å; K72-I74 PolarHBondContact O-N 3.21Å; I74-I196 HydrophobicContact CB-CD1 4.48Å; I74-I196 HydrophobicContact CG1-CG2 3.92Å; I74-I196 HydrophobicContact CG2-CD1 4.14Å; I74-I196 HydrophobicContact CG2-CG1 4.26Å; I74-I196 HydrophobicContact CG2-CG2 4.45Å; I74-L200 HydrophobicContact CD1-CD1 4.18Å; I74-L200 HydrophobicContact CD1-CD2 3.96Å; I74-L200 HydrophobicContact CG1-CD1 4.49Å
75N94Very high91.1Very high59 Ų5945.7 Ų45.732%0.31626%0.257SS..EExtended strand (participates in β ladder)trans-99.5102.3165.3179.90.9000107.8M1 Q2 A3 I4M1-N75 HydrophobicContact CG-CB 4.13Å; M1-N75 HydrophobicContact SD-CB 3.93Å; Q2-N75 PolarHBondContact O-N 3.17Å; A3-N75 CarbonylContact C-O 3.59Å; A3-N75 VanDerWaalsContact CA-O 3.31Å; A3-N75 WeakPolarHBondContact CA-O 3.33Å; I4-N75 PolarHBondContact N-O 3.24Å
76L95Very high91Very high0 Ų051.2 Ų51.20%028%0.284CS..EExtended strand (participates in β ladder)trans-92.3111.7-178.5-176.168.2000109.7I4 C6 Y23 S64 A65 L78 F192 I196I4-L76 HydrophobicContact CB-CD1 3.99Å; I4-L76 HydrophobicContact CG2-CD1 3.76Å; I4-L76 CarbonylContact O-C 3.58Å; I4-L76 WeakPolarHBondContact O-CA 3.47Å; C6-L76 HydrophobicContact CB-CD1 3.82Å; Y23-L76 HydrophobicContact CE1-CD2 4.02Å; S64-L76 CarbonylContact C-O 3.51Å; S64-L76 VanDerWaalsContact CA-O 3.28Å; S64-L76 WeakPolarHBondContact CA-O 3.08Å; A65-L76 PolarHBondContact N-O 2.93Å; A65-L76 PolarHBondContact O-N 2.75Å; L76-L78 HydrophobicContact CD2-CD2 3.69Å; L76-L78 HydrophobicContact CD2-CG 4.32Å; L76-L78 HydrophobicContact CG-CD2 3.89Å; L76-L78 HydrophobicContact CG-CG 4.25Å; L76-F192 HydrophobicContact CD2-CB 4.19Å; L76-F192 HydrophobicContact CD2-CD1 3.87Å; L76-F192 HydrophobicContact CD2-CG 4.4Å; L76-I196 HydrophobicContact CB-CD1 4.49Å; L76-I196 HydrophobicContact CD1-CD1 4.48Å; L76-I196 HydrophobicContact CD1-CG1 4.08Å; L76-I196 HydrophobicContact CD2-CD1 4.12Å; L76-I196 HydrophobicContact CD2-CG1 4.42Å
77G95.2Very high90.8Very high20 Ų2047.4 Ų47.421%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-85.6130.3167.700000110.7I4 C6I4-G77 PolarHBondContact O-N 3.33Å; C6-G77 PolarHBondContact N-O 3.48Å
78L93.1Very high90.6Very high0 Ų048.1 Ų48.10%026%0.264CS..EExtended strand (participates in β ladder)trans-117122.1-174.7-62.8167.2000109.3C6 L20 Y23 T24 N62 Y63 L76 F192C6-L78 HydrophobicContact CB-CD2 4.09Å; C6-L78 WeakPolarHBondContact O-CA 3.49Å; L20-L78 HydrophobicContact CD2-CB 4.03Å; L20-L78 HydrophobicContact CD2-CD1 4.12Å; L20-L78 HydrophobicContact CD2-CD2 3.93Å; L20-L78 HydrophobicContact CD2-CG 4.25Å; Y23-L78 HydrophobicContact CD1-CD1 3.85Å; Y23-L78 HydrophobicContact CE1-CD1 4.08Å; T24-L78 HydrophobicContact CG2-CD1 3.59Å; N62-L78 WeakPolarHBondContact CA-O 3.39Å; Y63-L78 PolarHBondContact N-O 3.29Å; Y63-L78 VanDerWaalsContact N-O 3.11Å; Y63-L78 PolarHBondContact O-N 3.15Å; L76-L78 HydrophobicContact CD2-CD2 3.69Å; L76-L78 HydrophobicContact CD2-CG 4.32Å; L76-L78 HydrophobicContact CG-CD2 3.89Å; L76-L78 HydrophobicContact CG-CG 4.25Å; L78-F192 HydrophobicContact CD1-CE1 4.48Å; L78-F192 HydrophobicContact CD2-CD1 3.82Å; L78-F192 HydrophobicContact CD2-CE1 3.51Å
79W93.8Very high90.4Very high61 Ų6153.7 Ų53.723%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-110.5105.9179.8-70.869.9000109.4C6 V7 V8 F60 N62C6-W79 PolarHBondContact O-N 3.14Å; V7-W79 HydrophobicContact CB-CB 4.33Å; V7-W79 HydrophobicContact CG1-CB 4.39Å; V7-W79 HydrophobicContact CG2-CB 3.85Å; V7-W79 HydrophobicContact CG2-CG 4.19Å; V8-W79 PolarHBondContact N-O 3.18Å; F60-W79 HydrophobicContact CB-CE3 3.82Å; F60-W79 HydrophobicContact CB-CZ3 4.09Å; F60-W79 HydrophobicContact CD2-CE3 4.41Å; F60-W79 HydrophobicContact CD2-CZ3 4.17Å; F60-W79 AromaticContact CG-CE3 4Å; F60-W79 HydrophobicContact CG-CE3 4Å; F60-W79 HydrophobicContact CG-CZ3 4.19Å; N62-W79 VanDerWaalsContact OD1-CD2 3.23Å; N62-W79 VanDerWaalsContact OD1-CZ2 3.31Å; N62-W79 WeakPolarHBondContact OD1-CZ2 3.39Å; N62-W79 PolarHBondContact OD1-NE1 3.26Å
80D91.4Very high90Very high0 Ų055.9 Ų55.90%029%0.29CS..EExtended strand (participates in β ladder)trans-80134.9173.5-162.110.2000111.1T17 L20 T35 F60T17-D80 VanDerWaalsContact CA-OD2 3.28Å; T17-D80 WeakPolarHBondContact CA-OD2 3.47Å; T17-D80 WeakPolarHBondContact CB-OD2 3.43Å; T17-D80 WeakPolarHBondContact CG2-OD2 3.38Å; T17-D80 PolarHBondContact OG1-OD2 2.82Å; L20-D80 HydrophobicContact CD1-CB 3.37Å; T35-D80 HydrophobicContact CG2-CB 4.45Å; T35-D80 WeakPolarHBondContact CG2-OD2 3.17Å; F60-D80 VanDerWaalsContact CD1-O 3.29Å; F60-D80 WeakPolarHBondContact CD1-O 3.26Å
81T89.9Confident89.8Confident0 Ų052.2 Ų52.20%027%0.27CS..  trans-121.6149.1-179.270.10000113.2V7 V8 V9 K16 F60 G83 R91V7-T81 HydrophobicContact CG1-CG2 3.84Å; V8-T81 WeakPolarHBondContact O-CB 3.37Å; V8-T81 PolarHBondContact O-N 2.81Å; V8-T81 PolarHBondContact O-OG1 2.94Å; V9-T81 HydrophobicContact CG1-CG2 4.42Å; K16-T81 WeakPolarHBondContact CE-O 3.37Å; K16-T81 PolarHBondContact NZ-O 2.96Å; F60-T81 HydrophobicContact CD1-CG2 4.29Å; F60-T81 HydrophobicContact CE1-CG2 4.14Å; T81-G83 PolarHBondContact O-N 2.81Å; T81-R91 HydrophobicContact CG2-CG 4.07Å
82A87.5Confident89.7Confident11 Ų1150.6 Ų50.69%0.09125%0.249CC..  trans-68.8130.4172.900000111.1V36 Y87 R91V36-A82 HydrophobicContact CG2-CB 3.82Å; A82-Y87 HydrophobicContact CB-CD1 4.4Å; A82-Y87 HydrophobicContact CB-CD2 3.54Å; A82-Y87 HydrophobicContact CB-CE2 4.29Å; A82-Y87 HydrophobicContact CB-CG 3.62Å; A82-R91 PolarHBondContact O-NE 2.79Å; A82-R91 PolarHBondContact O-NH2 2.98Å; A82-R91 VanDerWaalsContact O-NH2 3.15Å
83G80.3Confident89.6Confident11 Ų1152.1 Ų52.111%0.11326%0.26CS..  trans-90.10.2179.800000115.3G10 G12 T81G10-G83 WeakPolarHBondContact O-CA 3.46Å; G12-G83 PolarHBondContact N-O 3.13Å; T81-G83 PolarHBondContact O-N 2.81Å
84Q83Confident89.3Confident76 Ų7649.1 Ų49.136%0.35524%0.24SC..SBendtrans-88.1150-178.5-59.6169.825.400110.5D86 Y87 R91Q84-D86 VanDerWaalsContact C-N 3.26Å; Q84-D86 PolarHBondContact O-N 3.45Å; Q84-Y87 HydrophobicContact CB-CD2 4.04Å; Q84-Y87 HydrophobicContact CB-CE2 4.33Å; Q84-Y87 PolarHBondContact O-N 3.09Å; Q84-R91 PolarHBondContact O-NH2 3.13Å
85E83.2Confident89.2Confident149 Ų14949.1 Ų49.170%0.69624%0.24SC*.G310 helixtrans-63.5-30.5-177.2-61.5-174.2166.300113.1Y87 D88E85-Y87 PolarHBondContact O-N 3.38Å; E85-D88 WeakPolarHBondContact O-CB 3.29Å; E85-D88 VanDerWaalsContact O-CG 3.29Å; E85-D88 PolarHBondContact O-N 3.37Å
86D84.4Confident89.2Confident132 Ų13250.1 Ų50.171%0.70625%0.25SS*.G310 helixtrans-54.7-21.5176.3-65.9-28.7000113.3Q84Q84-D86 VanDerWaalsContact C-N 3.26Å; Q84-D86 PolarHBondContact O-N 3.45Å
87Y84.9Confident89.2Confident35 Ų3558.7 Ų58.714%0.13729%0.29CS..G310 helixtrans-106.16.9-179.4-56.3-80000113.9V36 L58 A82 Q84 E85 R89 L90 R91V36-Y87 HydrophobicContact CB-CE1 3.89Å; V36-Y87 HydrophobicContact CB-CE2 3.83Å; V36-Y87 VanDerWaalsContact CB-CZ 3.43Å; V36-Y87 WeakPolarHBondContact CB-OH 3.2Å; V36-Y87 HydrophobicContact CG1-CE1 3.59Å; V36-Y87 HydrophobicContact CG1-CE2 4.24Å; V36-Y87 WeakPolarHBondContact CG1-OH 3.43Å; V36-Y87 HydrophobicContact CG2-CD1 4.38Å; V36-Y87 HydrophobicContact CG2-CE1 4.02Å; V36-Y87 HydrophobicContact CG2-CE2 4.35Å; L58-Y87 HydrophobicContact CD2-CD1 4.07Å; A82-Y87 HydrophobicContact CB-CD1 4.4Å; A82-Y87 HydrophobicContact CB-CD2 3.54Å; A82-Y87 HydrophobicContact CB-CE2 4.29Å; A82-Y87 HydrophobicContact CB-CG 3.62Å; Q84-Y87 HydrophobicContact CB-CD2 4.04Å; Q84-Y87 HydrophobicContact CB-CE2 4.33Å; Q84-Y87 PolarHBondContact O-N 3.09Å; E85-Y87 PolarHBondContact O-N 3.38Å; Y87-R89 VanDerWaalsContact C-N 3.26Å; Y87-R89 PolarHBondContact O-N 3.39Å; Y87-L90 HydrophobicContact CD1-CD1 4.45Å; Y87-L90 PolarHBondContact O-N 2.96Å; Y87-R91 WeakPolarHBondContact O-CB 3.47Å; Y87-R91 PolarHBondContact O-N 3.17Å
88D88.6Confident89.2Confident51 Ų5158.1 Ų58.127%0.27328%0.283SS..THydrogen-bonded Turntrans-58.3-35.6-176.4-77.3-8.7000112.9E85 L90 R91 P92 K119E85-D88 WeakPolarHBondContact O-CB 3.29Å; E85-D88 VanDerWaalsContact O-CG 3.29Å; E85-D88 PolarHBondContact O-N 3.37Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.32Å; D88-R91 IonicContact OD1-CZ 2.79Å; D88-R91 IonicContact OD1-NH1 3.75Å; D88-R91 PolarHBondContact OD1-NH1 2.94Å; D88-R91 IonicContact OD1-NH2 3.37Å; D88-R91 PolarHBondContact OD1-NH2 3.24Å; D88-P92 WeakPolarHBondContact O-CD 3.42Å; D88-K119 VanDerWaalsContact CG-NZ 3.27Å; D88-K119 WeakPolarHBondContact OD1-CE 3.48Å; D88-K119 IonicContact OD1-NZ 3.24Å; D88-K119 PolarHBondContact OD1-NZ 3.41Å; D88-K119 IonicContact OD2-NZ 3.57Å; D88-K119 PolarHBondContact OD2-NZ 2.98Å
89R87.5Confident89.4Confident233 Ų23361.1 Ų61.188%0.87930%0.299SS*.THydrogen-bonded Turntrans-74-21.6177.4-64.8-176.8-179.6176.10.9113.7Y87Y87-R89 VanDerWaalsContact C-N 3.26Å; Y87-R89 PolarHBondContact O-N 3.39Å
90L86.4Confident89.6Confident48 Ų4858.2 Ų58.225%0.25129%0.288SS..THydrogen-bonded Turntrans-102.6-30.3-169.3-63.1-179.8000111.6L58 Y87 D88 P92 L93L58-L90 HydrophobicContact CD1-CB 3.55Å; L58-L90 HydrophobicContact CD1-CD1 3.8Å; L58-L90 HydrophobicContact CD1-CD2 3.8Å; L58-L90 HydrophobicContact CD1-CG 3.85Å; L58-L90 HydrophobicContact CD2-CB 3.72Å; L58-L90 HydrophobicContact CD2-CD1 3.47Å; L58-L90 VanDerWaalsContact CD2-CD1 3.47Å; L58-L90 HydrophobicContact CD2-CG 4.15Å; L58-L90 HydrophobicContact CG-CB 4.23Å; L58-L90 HydrophobicContact CG-CD1 4.01Å; Y87-L90 HydrophobicContact CD1-CD1 4.45Å; Y87-L90 PolarHBondContact O-N 2.96Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.32Å; L90-P92 VanDerWaalsContact C-CD 3.5Å; L90-L93 HydrophobicContact CD2-CD1 4.35Å; L90-L93 VanDerWaalsContact O-CB 3.26Å; L90-L93 WeakPolarHBondContact O-CB 3.49Å; L90-L93 VanDerWaalsContact O-CG 3.29Å; L90-L93 WeakPolarHBondContact O-CG 3.3Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-L93 VanDerWaalsContact O-N 3.16Å
91R90.6Very high90Very high3 Ų358.2 Ų58.21%0.01129%0.288CS..G310 helixtrans-54.8-42178-167.2-177.7-46.8101.87.3113.8T81 A82 Q84 Y87 D88 L93 S94 Y95 E123T81-R91 HydrophobicContact CG2-CG 4.07Å; A82-R91 PolarHBondContact O-NE 2.79Å; A82-R91 PolarHBondContact O-NH2 2.98Å; A82-R91 VanDerWaalsContact O-NH2 3.15Å; Q84-R91 PolarHBondContact O-NH2 3.13Å; Y87-R91 WeakPolarHBondContact O-CB 3.47Å; Y87-R91 PolarHBondContact O-N 3.17Å; D88-R91 IonicContact OD1-CZ 2.79Å; D88-R91 IonicContact OD1-NH1 3.75Å; D88-R91 PolarHBondContact OD1-NH1 2.94Å; D88-R91 IonicContact OD1-NH2 3.37Å; D88-R91 PolarHBondContact OD1-NH2 3.24Å; R91-L93 PolarHBondContact O-N 3.46Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.08Å; R91-Y95 WeakPolarHBondContact CD-OH 3.18Å; R91-Y95 HydrophobicContact CG-CE1 4.16Å; R91-Y95 WeakPolarHBondContact CG-OH 3.43Å; R91-E123 WeakPolarHBondContact CD-OE1 3.28Å; R91-E123 IonicContact CZ-OE1 2.85Å; R91-E123 IonicContact NH1-OE1 2.69Å; R91-E123 PolarHBondContact NH1-OE1 3.47Å; R91-E123 IonicContact NH1-OE2 2.85Å; R91-E123 PolarHBondContact NH1-OE2 3.49Å
92P91.4Very high90.4Very high27 Ų2758.2 Ų58.218%0.17529%0.288CS..G310 helixtrans-62.8-16.6-179.7-25.836.8000114.9D88 L90 S94 Y95 P96D88-P92 WeakPolarHBondContact O-CD 3.42Å; L90-P92 VanDerWaalsContact C-CD 3.5Å; P92-S94 PolarHBondContact O-N 2.71Å; P92-Y95 HydrophobicContact CB-CD2 3.94Å; P92-Y95 HydrophobicContact CB-CE2 4.15Å; P92-Y95 HydrophobicContact CG-CE2 4.23Å; P92-Y95 WeakPolarHBondContact O-CB 3.45Å; P92-Y95 PolarHBondContact O-N 2.93Å; P92-P96 WeakPolarHBondContact O-CD 3.25Å
93L89.5Confident90.9Very high114 Ų11457.7 Ų57.760%0.59728%0.283SS*.G310 helixtrans-62.5-20.7174.9-58.5177.1000112.5L58 L90 R91 P96L58-L93 HydrophobicContact CD1-CD1 4.01Å; L90-L93 HydrophobicContact CD2-CD1 4.35Å; L90-L93 VanDerWaalsContact O-CB 3.26Å; L90-L93 WeakPolarHBondContact O-CB 3.49Å; L90-L93 VanDerWaalsContact O-CG 3.29Å; L90-L93 WeakPolarHBondContact O-CG 3.3Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-L93 VanDerWaalsContact O-N 3.16Å; R91-L93 PolarHBondContact O-N 3.46Å; L93-P96 WeakPolarHBondContact O-CD 3.4Å
94S89.7Confident91.8Very high0 Ų057.2 Ų57.20%028%0.278CS..G310 helixtrans-83.5-16.9173.7-56.40000114.5K5 F60 R91 P92 P96K5-S94 WeakPolarHBondContact CE-O 3.3Å; K5-S94 PolarHBondContact NZ-O 2.99Å; F60-S94 WeakPolarHBondContact CD1-OG 3.46Å; F60-S94 WeakPolarHBondContact CE1-OG 3.42Å; F60-S94 VanDerWaalsContact CE2-OG 3.29Å; F60-S94 WeakPolarHBondContact CE2-OG 3.49Å; F60-S94 WeakPolarHBondContact CG-OG 3.36Å; F60-S94 WeakPolarHBondContact CZ-OG 3.44Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.08Å; P92-S94 PolarHBondContact O-N 2.71Å; S94-P96 VanDerWaalsContact C-CD 3.45Å
95Y94.6Very high92.6Very high2 Ų253.6 Ų53.61%0.00826%0.261CS..  trans-74.6-27.9-170-61.6-13.4000116.2V7 V9 R91 P92 Q97 T98 F101 E123 H127V7-Y95 HydrophobicContact CG1-CD1 4.04Å; V7-Y95 HydrophobicContact CG1-CE1 3.94Å; V9-Y95 HydrophobicContact CG1-CE1 3.89Å; V9-Y95 WeakPolarHBondContact CG1-OH 3.42Å; R91-Y95 WeakPolarHBondContact CD-OH 3.18Å; R91-Y95 HydrophobicContact CG-CE1 4.16Å; R91-Y95 WeakPolarHBondContact CG-OH 3.43Å; P92-Y95 HydrophobicContact CB-CD2 3.94Å; P92-Y95 HydrophobicContact CB-CE2 4.15Å; P92-Y95 HydrophobicContact CG-CE2 4.23Å; P92-Y95 WeakPolarHBondContact O-CB 3.45Å; P92-Y95 PolarHBondContact O-N 2.93Å; Y95-Q97 PolarHBondContact O-N 2.91Å; Y95-T98 WeakPolarHBondContact O-CB 3.37Å; Y95-T98 PolarHBondContact O-N 2.88Å; Y95-T98 VanDerWaalsContact O-N 3.14Å; Y95-T98 PolarHBondContact O-OG1 2.67Å; Y95-F101 AromaticContact CD1-CE1 3.52Å; Y95-F101 HydrophobicContact CD1-CE1 3.52Å; Y95-F101 AromaticContact CD1-CZ 3.82Å; Y95-F101 HydrophobicContact CD1-CZ 3.82Å; Y95-F101 AromaticContact CE1-CE1 3.7Å; Y95-F101 HydrophobicContact CE1-CE1 3.7Å; Y95-F101 HydrophobicContact CE1-CZ 4.39Å; Y95-F101 HydrophobicContact CG-CE1 4.11Å; Y95-F101 AromaticContact CG-CZ 3.98Å; Y95-F101 HydrophobicContact CG-CZ 3.98Å; Y95-E123 HydrophobicContact CE2-CG 4.22Å; Y95-E123 PolarHBondContact OH-OE1 2.86Å; Y95-H127 HydrophobicContact CD2-CB 3.6Å; Y95-H127 AromaticContact CD2-CD2 3.81Å; Y95-H127 AromaticContact CD2-CG 3.7Å; Y95-H127 HydrophobicContact CE2-CB 4.36Å; Y95-H127 AromaticContact CE2-CD2 3.89Å; Y95-H127 HydrophobicContact CG-CB 4.46Å
96P93.1Very high93.3Very high80 Ų8046.6 Ų46.652%0.51923%0.229SC..THydrogen-bonded Turntrans-52.3135178.5-29.436.2000112.5K5 P92 L93 S94 T98K5-P96 PolarHBondContact NZ-O 2.8Å; P92-P96 WeakPolarHBondContact O-CD 3.25Å; L93-P96 WeakPolarHBondContact O-CD 3.4Å; S94-P96 VanDerWaalsContact C-CD 3.45Å; P96-T98 PolarHBondContact O-N 3.05Å
97Q94.1Very high94Very high179 Ų17940.3 Ų40.384%0.83620%0.195SC*.THydrogen-bonded Turntrans61.524.7178.8-52.9172.7-4000114.7Y95 D99Y95-Q97 PolarHBondContact O-N 2.91Å; Q97-D99 PolarHBondContact O-N 2.74Å
98T96.4Very high94.6Very high9 Ų939.5 Ų39.56%0.05519%0.194CC..  trans-73125.9174.7-57.70000111.1V7 Y95 P96 V100 F101 T131V7-T98 HydrophobicContact CB-CG2 3.91Å; V7-T98 HydrophobicContact CG2-CG2 3.58Å; V7-T98 WeakPolarHBondContact CG2-OG1 3.33Å; Y95-T98 WeakPolarHBondContact O-CB 3.37Å; Y95-T98 PolarHBondContact O-N 2.88Å; Y95-T98 VanDerWaalsContact O-N 3.14Å; Y95-T98 PolarHBondContact O-OG1 2.67Å; P96-T98 PolarHBondContact O-N 3.05Å; T98-V100 WeakPolarHBondContact CG2-O 3.07Å; T98-F101 HydrophobicContact CG2-CD1 4.31Å; T98-F101 HydrophobicContact CG2-CD2 3.71Å; T98-F101 HydrophobicContact CG2-CE1 4.06Å; T98-F101 HydrophobicContact CG2-CE2 3.4Å; T98-F101 HydrophobicContact CG2-CG 4.15Å; T98-F101 HydrophobicContact CG2-CZ 3.6Å; T98-T131 HydrophobicContact CG2-CG2 4.25Å; T98-T131 VanDerWaalsContact O-CG2 3.26Å; T98-T131 WeakPolarHBondContact O-CG2 3.46Å; T98-T131 PolarHBondContact O-OG1 2.92Å
99D97.5Very high95.1Very high63 Ų6339.9 Ų39.934%0.33720%0.196SC..SBendtrans-86.3-30178.7-63.3-60.1000112.3I4 K5 Q97 T131 P132 V199I4-D99 WeakPolarHBondContact CA-OD2 3.34Å; I4-D99 HydrophobicContact CG2-CB 3.94Å; K5-D99 PolarHBondContact N-OD2 2.84Å; K5-D99 WeakPolarHBondContact O-CB 3.16Å; K5-D99 PolarHBondContact O-N 3.33Å; Q97-D99 PolarHBondContact O-N 2.74Å; D99-T131 VanDerWaalsContact C-CG2 3.49Å; D99-T131 WeakPolarHBondContact O-CG2 3.15Å; D99-P132 WeakPolarHBondContact O-CD 3.43Å; D99-P132 WeakPolarHBondContact O-CG 3.38Å; D99-V199 HydrophobicContact CB-CG1 4.16Å; D99-V199 HydrophobicContact CB-CG2 3.94Å; D99-V199 WeakPolarHBondContact O-CG2 3.18Å
100V98.3Very high95.6Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-153.4143.9177.460.90000111.6I4 K5 C6 V7 T98 P132 I134 A195 V199I4-V100 HydrophobicContact CG2-CG1 4.22Å; K5-V100 PolarHBondContact O-N 3.26Å; C6-V100 WeakPolarHBondContact CA-O 3.43Å; C6-V100 HydrophobicContact CB-CG1 3.73Å; V7-V100 PolarHBondContact N-O 3.3Å; T98-V100 WeakPolarHBondContact CG2-O 3.07Å; V100-P132 HydrophobicContact CB-CG 4.15Å; V100-P132 HydrophobicContact CG2-CB 4.48Å; V100-P132 HydrophobicContact CG2-CG 4.18Å; V100-I134 HydrophobicContact CG2-CG1 4.17Å; V100-A195 HydrophobicContact CG1-CB 4.14Å; V100-A195 HydrophobicContact CG2-CB 4.15Å; V100-V199 HydrophobicContact CB-CG2 3.77Å; V100-V199 HydrophobicContact CG1-CG2 4.02Å
101F98.5Very high96.1Very high0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-107.2139.2171.6-75.8-89.2000111.7V7 V9 Y95 T98 V124 C128 T131 P132 I133 I134V7-F101 HydrophobicContact CB-CD1 3.79Å; V7-F101 HydrophobicContact CB-CE1 3.66Å; V7-F101 HydrophobicContact CB-CZ 4.46Å; V7-F101 HydrophobicContact CG1-CD1 4.05Å; V7-F101 HydrophobicContact CG1-CE1 3.77Å; V7-F101 HydrophobicContact CG2-CE1 4.31Å; V7-F101 CarbonylContact O-C 3.43Å; V7-F101 WeakPolarHBondContact O-CA 3.4Å; V9-F101 HydrophobicContact CG1-CD1 4.42Å; Y95-F101 AromaticContact CD1-CE1 3.52Å; Y95-F101 HydrophobicContact CD1-CE1 3.52Å; Y95-F101 AromaticContact CD1-CZ 3.82Å; Y95-F101 HydrophobicContact CD1-CZ 3.82Å; Y95-F101 AromaticContact CE1-CE1 3.7Å; Y95-F101 HydrophobicContact CE1-CE1 3.7Å; Y95-F101 HydrophobicContact CE1-CZ 4.39Å; Y95-F101 HydrophobicContact CG-CE1 4.11Å; Y95-F101 AromaticContact CG-CZ 3.98Å; Y95-F101 HydrophobicContact CG-CZ 3.98Å; T98-F101 HydrophobicContact CG2-CD1 4.31Å; T98-F101 HydrophobicContact CG2-CD2 3.71Å; T98-F101 HydrophobicContact CG2-CE1 4.06Å; T98-F101 HydrophobicContact CG2-CE2 3.4Å; T98-F101 HydrophobicContact CG2-CG 4.15Å; T98-F101 HydrophobicContact CG2-CZ 3.6Å; F101-V124 HydrophobicContact CB-CG1 4.08Å; F101-V124 HydrophobicContact CD1-CG1 3.96Å; F101-V124 HydrophobicContact CD1-CG2 3.87Å; F101-V124 HydrophobicContact CD2-CG1 3.52Å; F101-V124 HydrophobicContact CE1-CG1 4.26Å; F101-V124 HydrophobicContact CE1-CG2 4.15Å; F101-V124 HydrophobicContact CE2-CG1 3.89Å; F101-V124 HydrophobicContact CG-CG1 3.57Å; F101-V124 HydrophobicContact CG-CG2 4.25Å; F101-V124 HydrophobicContact CZ-CG1 4.24Å; F101-C128 HydrophobicContact CD2-CB 4.41Å; F101-C128 HydrophobicContact CE2-CB 3.46Å; F101-C128 VanDerWaalsContact CE2-CB 3.46Å; F101-C128 HydrophobicContact CZ-CB 4.03Å; F101-T131 HydrophobicContact CD2-CG2 3.53Å; F101-T131 HydrophobicContact CE2-CG2 3.78Å; F101-P132 PolarHBondContact N-O 3.4Å; F101-I133 HydrophobicContact CB-CG1 4.25Å; F101-I133 WeakPolarHBondContact O-CA 3.47Å; F101-I134 PolarHBondContact O-N 3.42Å
102L98.7Very high96.5Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-100.1120.1159.4-54.5-173.7000108.2V7 V8 V9 I134 V136 V191 F192 A195V7-L102 PolarHBondContact O-N 2.83Å; V8-L102 HydrophobicContact CB-CB 4.46Å; V8-L102 HydrophobicContact CG1-CB 4.12Å; V8-L102 HydrophobicContact CG2-CB 4.26Å; V8-L102 HydrophobicContact CG2-CD1 3.94Å; V8-L102 HydrophobicContact CG2-CG 4.31Å; V9-L102 PolarHBondContact N-O 3.32Å; L102-I134 WeakPolarHBondContact CA-O 3.46Å; L102-I134 HydrophobicContact CD2-CB 3.63Å; L102-I134 HydrophobicContact CD2-CG1 3.95Å; L102-I134 HydrophobicContact CD2-CG2 4.19Å; L102-V136 HydrophobicContact CB-CG2 4.14Å; L102-V136 HydrophobicContact CD2-CG2 4.15Å; L102-V191 HydrophobicContact CD1-CG1 3.77Å; L102-V191 HydrophobicContact CD2-CG1 4.14Å; L102-F192 HydrophobicContact CD1-CD1 4.46Å; L102-F192 HydrophobicContact CD1-CE1 3.97Å; L102-F192 HydrophobicContact CD1-CZ 4.47Å; L102-A195 HydrophobicContact CD2-CB 3.92Å
103I98.7Very high96.9Very high0 Ų029 Ų290%016%0.163CC..EExtended strand (participates in β ladder)trans-98.7111.9167.3-60-179000107.4V9 V116 W120 V124 I133 I134 L135 V136V9-I103 HydrophobicContact CG2-CB 4.35Å; V9-I103 HydrophobicContact CG2-CG1 3.75Å; I103-V116 HydrophobicContact CG2-CG1 4.05Å; I103-V116 HydrophobicContact CG2-CG2 4.15Å; I103-W120 HydrophobicContact CD1-CB 4.43Å; I103-W120 HydrophobicContact CG2-CB 3.7Å; I103-W120 HydrophobicContact CG2-CG 4.34Å; I103-V124 HydrophobicContact CD1-CG2 4.35Å; I103-V124 HydrophobicContact CG1-CG2 4.49Å; I103-I133 HydrophobicContact CB-CG2 4.43Å; I103-I133 HydrophobicContact CD1-CD1 4.25Å; I103-I133 HydrophobicContact CD1-CG2 3.67Å; I103-I133 HydrophobicContact CG1-CG2 3.84Å; I103-I134 PolarHBondContact N-O 3.08Å; I103-L135 HydrophobicContact CB-CD1 4.43Å; I103-L135 HydrophobicContact CG2-CD1 4.34Å; I103-V136 PolarHBondContact O-N 2.88Å
104C98.8Very high97.3Very high0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans-99.7138.6-176.8-64.80000111.8V8 V9 G10 V14 K16 V136 T138V8-C104 VanDerWaalsContact CG1-SG 3.56Å; V9-C104 PolarHBondContact O-N 2.99Å; G10-C104 WeakPolarHBondContact CA-O 3.31Å; V14-C104 HydrophobicContact CG2-CB 3.95Å; K16-C104 HydrophobicContact CG-CB 4.03Å; C104-V136 WeakPolarHBondContact CA-O 3.44Å; C104-T138 HydrophobicContact CB-CG2 4.12Å
105F98.9Very high97.7Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-136.4156.4165.972.4-84000109.4L107 S112 F113 V116 L135 V136 T138 I160 Y177F105-L107 HydrophobicContact CE2-CD2 3.73Å; F105-L107 HydrophobicContact CZ-CD2 3.97Å; F105-S112 WeakPolarHBondContact CB-O 3.47Å; F105-F113 HydrophobicContact CD1-CD2 4.22Å; F105-F113 HydrophobicContact CD2-CB 3.72Å; F105-F113 AromaticContact CD2-CD2 3.64Å; F105-F113 HydrophobicContact CD2-CD2 3.64Å; F105-F113 HydrophobicContact CD2-CG 4.14Å; F105-F113 AromaticContact CE1-CD2 4Å; F105-F113 HydrophobicContact CE1-CD2 4Å; F105-F113 HydrophobicContact CE1-CE2 4.37Å; F105-F113 HydrophobicContact CE2-CB 4.14Å; F105-F113 AromaticContact CE2-CD2 3.38Å; F105-F113 HydrophobicContact CE2-CD2 3.38Å; F105-F113 HydrophobicContact CE2-CE2 4.15Å; F105-F113 HydrophobicContact CE2-CG 4.12Å; F105-F113 HydrophobicContact CG-CB 4.3Å; F105-F113 HydrophobicContact CG-CD2 4.05Å; F105-F113 AromaticContact CZ-CD2 3.57Å; F105-F113 HydrophobicContact CZ-CD2 3.57Å; F105-F113 AromaticContact CZ-CE2 3.94Å; F105-F113 HydrophobicContact CZ-CE2 3.94Å; F105-V116 HydrophobicContact CB-CG2 3.89Å; F105-V116 HydrophobicContact CD1-CG2 4.11Å; F105-V116 HydrophobicContact CG-CG2 4.26Å; F105-L135 HydrophobicContact CD1-CD1 3.81Å; F105-L135 HydrophobicContact CD1-CG 4.27Å; F105-L135 HydrophobicContact CE1-CD1 3.94Å; F105-L135 HydrophobicContact CE1-CD2 4.13Å; F105-L135 HydrophobicContact CE1-CG 3.88Å; F105-V136 WeakPolarHBondContact CD1-O 3.12Å; F105-V136 PolarHBondContact N-O 2.72Å; F105-T138 PolarHBondContact O-N 3.02Å; F105-T138 PolarHBondContact O-OG1 3.35Å; F105-I160 HydrophobicContact CE2-CB 4.15Å; F105-I160 HydrophobicContact CE2-CG1 4.21Å; F105-I160 HydrophobicContact CE2-CG2 3.94Å; F105-I160 HydrophobicContact CZ-CG2 4.36Å; F105-Y177 AromaticContact CE1-CE2 3.89Å; F105-Y177 HydrophobicContact CE1-CE2 3.89Å; F105-Y177 AromaticContact CZ-CE2 3.98Å; F105-Y177 HydrophobicContact CZ-CE2 3.98Å
106S98.7Very high97.9Very high2 Ų230.4 Ų30.41%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-89.2128.7177.6158.70000110.6V108 N109 S112 T138S106-V108 PolarHBondContact O-N 3.44Å; S106-V108 WeakPolarHBondContact OG-CG2 3.13Å; S106-V108 PolarHBondContact OG-N 2.9Å; S106-N109 PolarHBondContact O-N 2.98Å; S106-N109 PolarHBondContact OG-N 3.39Å; S106-S112 PolarHBondContact N-OG 3.11Å; S106-T138 WeakPolarHBondContact CA-OG1 3.37Å
107L98.8Very high98.2Very high0 Ų030.8 Ų30.80%016%0.159CC..THydrogen-bonded Turntrans-59.8-19.8177.6-69.9173.3000113.2F105 T138 L140 P159 I160 E179F105-L107 HydrophobicContact CE2-CD2 3.73Å; F105-L107 HydrophobicContact CZ-CD2 3.97Å; L107-T138 WeakPolarHBondContact CB-O 3.42Å; L107-T138 VanDerWaalsContact CG-O 3.28Å; L107-T138 WeakPolarHBondContact CG-O 3.2Å; L107-T138 PolarHBondContact N-O 3Å; L107-L140 HydrophobicContact CD1-CB 3.95Å; L107-L140 HydrophobicContact CD1-CD1 3.77Å; L107-L140 HydrophobicContact CD1-CG 4.49Å; L107-P159 CarbonylContact O-C 3.58Å; L107-P159 WeakPolarHBondContact O-CA 3.36Å; L107-I160 HydrophobicContact CD2-CB 4.2Å; L107-I160 HydrophobicContact CD2-CG2 4.47Å; L107-I160 PolarHBondContact O-N 3.4Å; L107-E179 HydrophobicContact CD1-CB 4.4Å; L107-E179 HydrophobicContact CD1-CG 4.3Å
108V98.4Very high98.4Very high19 Ų1925.8 Ų25.812%0.11515%0.148CC..THydrogen-bonded Turntrans-110.818.7177.3-61.60000113.1S106 K139 L142 T148 L152 P159S106-V108 PolarHBondContact O-N 3.44Å; S106-V108 WeakPolarHBondContact OG-CG2 3.13Å; S106-V108 PolarHBondContact OG-N 2.9Å; V108-K139 HydrophobicContact CG2-CB 4.45Å; V108-K139 HydrophobicContact CG2-CD 4.32Å; V108-L142 HydrophobicContact CB-CB 4.4Å; V108-L142 HydrophobicContact CG1-CB 3.66Å; V108-L142 WeakPolarHBondContact CG1-O 3.01Å; V108-L142 HydrophobicContact CG2-CB 3.95Å; V108-L142 HydrophobicContact CG2-CD1 3.86Å; V108-T148 HydrophobicContact CB-CG2 3.73Å; V108-T148 HydrophobicContact CG1-CG2 3.69Å; V108-T148 HydrophobicContact CG2-CG2 4.14Å; V108-L152 HydrophobicContact CB-CD1 4.12Å; V108-L152 HydrophobicContact CG1-CD1 4.43Å; V108-P159 HydrophobicContact CG1-CB 4.35Å; V108-P159 HydrophobicContact CG1-CG 4.46Å
109N98.2Very high98.4Very high59 Ų5927.2 Ų27.232%0.31615%0.154SC..  trans-132.788.3170.6-179-0.2000109.9S106 A111 S112 F113S106-N109 PolarHBondContact O-N 2.98Å; S106-N109 PolarHBondContact OG-N 3.39Å; N109-A111 PolarHBondContact O-N 2.98Å; N109-A111 PolarHBondContact OD1-N 3.03Å; N109-S112 WeakPolarHBondContact O-CB 3.27Å; N109-S112 PolarHBondContact O-N 3.3Å; N109-S112 PolarHBondContact O-OG 3.07Å; N109-S112 PolarHBondContact OD1-N 3.41Å; N109-F113 PolarHBondContact O-N 2.87Å
110P98.3Very high98.5Very high20 Ų2024.2 Ų24.213%0.1314%0.138CC..Hα-helixtrans-57-31.5-178.8-2937.6000115S112 F113 E114 L157 Q158 I160P110-S112 VanDerWaalsContact C-N 3.33Å; P110-S112 PolarHBondContact O-N 2.72Å; P110-F113 WeakPolarHBondContact O-CB 3.42Å; P110-F113 PolarHBondContact O-N 3.23Å; P110-F113 VanDerWaalsContact O-N 3.13Å; P110-E114 PolarHBondContact O-N 2.77Å; P110-E114 VanDerWaalsContact O-N 3.1Å; P110-L157 HydrophobicContact CB-CD2 4.49Å; P110-L157 HydrophobicContact CG-CB 4.33Å; P110-L157 HydrophobicContact CG-CD1 4.42Å; P110-L157 HydrophobicContact CG-CD2 4.39Å; P110-Q158 WeakPolarHBondContact CG-O 3.19Å; P110-I160 HydrophobicContact CB-CD1 4.06Å; P110-I160 HydrophobicContact CG-CD1 4.22Å
111A98.1Very high98.5Very high56 Ų5627.8 Ų27.846%0.46315%0.152SC..Hα-helixtrans-62.5-40.9174.900000111.6N109 F113 E114 N115N109-A111 PolarHBondContact O-N 2.98Å; N109-A111 PolarHBondContact OD1-N 3.03Å; A111-F113 PolarHBondContact O-N 2.99Å; A111-E114 PolarHBondContact O-N 2.9Å; A111-N115 VanDerWaalsContact O-CG 3.3Å; A111-N115 PolarHBondContact O-N 2.77Å; A111-N115 PolarHBondContact O-ND2 3.23Å
112S98.5Very high98.5Very high0 Ų030.6 Ų30.60%017%0.17CC..Hα-helixtrans-64.9-26.7175.8740000113.5D11 F105 S106 N109 P110D11-S112 VanDerWaalsContact OD2-CA 3.25Å; D11-S112 WeakPolarHBondContact OD2-CA 2.97Å; D11-S112 WeakPolarHBondContact OD2-CB 3.25Å; F105-S112 WeakPolarHBondContact CB-O 3.47Å; S106-S112 PolarHBondContact N-OG 3.11Å; N109-S112 WeakPolarHBondContact O-CB 3.27Å; N109-S112 PolarHBondContact O-N 3.3Å; N109-S112 PolarHBondContact O-OG 3.07Å; N109-S112 PolarHBondContact OD1-N 3.41Å; P110-S112 VanDerWaalsContact C-N 3.33Å; P110-S112 PolarHBondContact O-N 2.72Å
113F98.8Very high98.4Very high6 Ų632 Ų323%0.02618%0.177CC..Hα-helixtrans-72.4-44.8174.2176-107.7000111.3F105 N109 P110 A111 N115 V116 I160 Q164 M168F105-F113 HydrophobicContact CD1-CD2 4.22Å; F105-F113 HydrophobicContact CD2-CB 3.72Å; F105-F113 AromaticContact CD2-CD2 3.64Å; F105-F113 HydrophobicContact CD2-CD2 3.64Å; F105-F113 HydrophobicContact CD2-CG 4.14Å; F105-F113 AromaticContact CE1-CD2 4Å; F105-F113 HydrophobicContact CE1-CD2 4Å; F105-F113 HydrophobicContact CE1-CE2 4.37Å; F105-F113 HydrophobicContact CE2-CB 4.14Å; F105-F113 AromaticContact CE2-CD2 3.38Å; F105-F113 HydrophobicContact CE2-CD2 3.38Å; F105-F113 HydrophobicContact CE2-CE2 4.15Å; F105-F113 HydrophobicContact CE2-CG 4.12Å; F105-F113 HydrophobicContact CG-CB 4.3Å; F105-F113 HydrophobicContact CG-CD2 4.05Å; F105-F113 AromaticContact CZ-CD2 3.57Å; F105-F113 HydrophobicContact CZ-CD2 3.57Å; F105-F113 AromaticContact CZ-CE2 3.94Å; F105-F113 HydrophobicContact CZ-CE2 3.94Å; N109-F113 PolarHBondContact O-N 2.87Å; P110-F113 WeakPolarHBondContact O-CB 3.42Å; P110-F113 PolarHBondContact O-N 3.23Å; P110-F113 VanDerWaalsContact O-N 3.13Å; A111-F113 PolarHBondContact O-N 2.99Å; F113-N115 VanDerWaalsContact C-N 3.31Å; F113-N115 PolarHBondContact O-N 3.22Å; F113-V116 WeakPolarHBondContact O-CB 3.42Å; F113-V116 WeakPolarHBondContact O-CG2 3.48Å; F113-V116 PolarHBondContact O-N 3.19Å; F113-I160 HydrophobicContact CB-CD1 4.03Å; F113-I160 HydrophobicContact CB-CG1 3.95Å; F113-I160 HydrophobicContact CD1-CD1 3.8Å; F113-I160 HydrophobicContact CD1-CG1 4.37Å; F113-I160 HydrophobicContact CD2-CG1 4.5Å; F113-I160 HydrophobicContact CD2-CG2 4.08Å; F113-I160 HydrophobicContact CE1-CD1 4.45Å; F113-I160 HydrophobicContact CE2-CG2 4.07Å; F113-I160 HydrophobicContact CG-CD1 3.95Å; F113-I160 HydrophobicContact CG-CG1 4.03Å; F113-I160 HydrophobicContact CG-CG2 4.29Å; F113-I160 HydrophobicContact CZ-CG2 4.3Å; F113-Q164 HydrophobicContact CE1-CB 4.35Å; F113-Q164 HydrophobicContact CZ-CB 4.01Å; F113-Q164 WeakPolarHBondContact CZ-O 3.31Å; F113-M168 HydrophobicContact CD1-CE 3.97Å; F113-M168 HydrophobicContact CD2-CE 4.07Å; F113-M168 HydrophobicContact CE1-CE 3.65Å; F113-M168 HydrophobicContact CE2-CB 3.51Å; F113-M168 HydrophobicContact CE2-CE 3.77Å; F113-M168 HydrophobicContact CE2-CG 3.86Å; F113-M168 HydrophobicContact CG-CE 4.18Å; F113-M168 HydrophobicContact CZ-CB 3.57Å; F113-M168 HydrophobicContact CZ-CE 3.56Å; F113-M168 HydrophobicContact CZ-CG 4.19Å; F113-M168 WeakPolarHBondContact O-CE 3.3Å
114E98.5Very high98.4Very high91 Ų9132 Ų3243%0.42518%0.177SC..Hα-helixtrans-65-35174.6-63.7-53141.600112.3P110 A111 V116 R117 A118P110-E114 PolarHBondContact O-N 2.77Å; P110-E114 VanDerWaalsContact O-N 3.1Å; A111-E114 PolarHBondContact O-N 2.9Å; E114-V116 PolarHBondContact O-N 2.67Å; E114-V116 VanDerWaalsContact O-N 3.12Å; E114-R117 WeakPolarHBondContact O-CG 3.49Å; E114-R117 PolarHBondContact O-N 2.88Å; E114-R117 IonicContact OE2-NE 3.88Å; E114-A118 PolarHBondContact O-N 3.28Å; E114-A118 VanDerWaalsContact O-N 3.13Å
115N98.6Very high98.3Very high54 Ų5434 Ų3429%0.28919%0.19SC..Hα-helixtrans-63.4-17.5175.7-73.4-21000113.5D11 A111 F113 K119 W120D11-N115 WeakPolarHBondContact OD1-CB 3.4Å; D11-N115 PolarHBondContact OD1-ND2 3.47Å; D11-N115 PolarHBondContact OD2-ND2 3.4Å; A111-N115 VanDerWaalsContact O-CG 3.3Å; A111-N115 PolarHBondContact O-N 2.77Å; A111-N115 PolarHBondContact O-ND2 3.23Å; F113-N115 VanDerWaalsContact C-N 3.31Å; F113-N115 PolarHBondContact O-N 3.22Å; N115-K119 WeakPolarHBondContact O-CA 3.36Å; N115-K119 WeakPolarHBondContact O-CB 3.31Å; N115-K119 PolarHBondContact O-N 3.11Å; N115-W120 VanDerWaalsContact O-CD1 3.26Å; N115-W120 PolarHBondContact O-N 3.34Å
116V98.8Very high98.2Very high0 Ų041.1 Ų41.10%022%0.223CC..Iπ-helixtrans-57.4-53.1171.5173.80000110.6I103 F105 F113 E114 Y121 L135 M168 I172I103-V116 HydrophobicContact CG2-CG1 4.05Å; I103-V116 HydrophobicContact CG2-CG2 4.15Å; F105-V116 HydrophobicContact CB-CG2 3.89Å; F105-V116 HydrophobicContact CD1-CG2 4.11Å; F105-V116 HydrophobicContact CG-CG2 4.26Å; F113-V116 WeakPolarHBondContact O-CB 3.42Å; F113-V116 WeakPolarHBondContact O-CG2 3.48Å; F113-V116 PolarHBondContact O-N 3.19Å; E114-V116 PolarHBondContact O-N 2.67Å; E114-V116 VanDerWaalsContact O-N 3.12Å; V116-Y121 VanDerWaalsContact O-CB 3.25Å; V116-Y121 WeakPolarHBondContact O-CB 3.25Å; V116-Y121 PolarHBondContact O-N 3Å; V116-L135 HydrophobicContact CG1-CD1 3.71Å; V116-L135 HydrophobicContact CG2-CD1 4.04Å; V116-M168 HydrophobicContact CB-CE 4.32Å; V116-M168 HydrophobicContact CB-CG 4.32Å; V116-M168 HydrophobicContact CB-SD 4.1Å; V116-M168 HydrophobicContact CG1-CG 3.85Å; V116-M168 HydrophobicContact CG1-SD 3.91Å; V116-I172 HydrophobicContact CG1-CD1 3.81Å; V116-I172 HydrophobicContact CG1-CG2 4.28Å
117R98.3Very high98.1Very high89 Ų8945.1 Ų45.134%0.33624%0.242SC..Iπ-helixtrans-78.4-32.4179.864.3177.375.7-157.5-2.9112.7E114 P122 M168 E171E114-R117 WeakPolarHBondContact O-CG 3.49Å; E114-R117 PolarHBondContact O-N 2.88Å; E114-R117 IonicContact OE2-NE 3.88Å; R117-P122 VanDerWaalsContact O-CD 3.31Å; R117-P122 WeakPolarHBondContact O-CD 3.19Å; R117-P122 VanDerWaalsContact O-CG 3.3Å; R117-P122 WeakPolarHBondContact O-CG 3.47Å; R117-M168 HydrophobicContact CB-CE 4.44Å; R117-M168 HydrophobicContact CB-SD 3.91Å; R117-M168 HydrophobicContact CG-CE 4.27Å; R117-M168 HydrophobicContact CG-SD 4.37Å; R117-E171 IonicContact CZ-OE1 3.95Å; R117-E171 IonicContact CZ-OE2 2.82Å; R117-E171 IonicContact NE-OE1 2.83Å; R117-E171 PolarHBondContact NE-OE1 3.01Å; R117-E171 IonicContact NE-OE2 2.99Å; R117-E171 IonicContact NH1-OE1 3.21Å; R117-E171 PolarHBondContact NH1-OE1 3.34Å; R117-E171 IonicContact NH1-OE2 3.64Å; R117-E171 PolarHBondContact NH1-OE2 2.98Å; R117-E171 IonicContact NH2-OE1 3.05Å; R117-E171 IonicContact NH2-OE2 3.46Å; R117-E171 PolarHBondContact NH2-OE2 2.56Å
118A98.2Very high98Very high74 Ų7446 Ų4661%0.61225%0.247SC*.Iπ-helixtrans-81.4-28.9-17400000113.6E114E114-A118 PolarHBondContact O-N 3.28Å; E114-A118 VanDerWaalsContact O-N 3.13Å
119K97.7Very high97.8Very high38 Ų3849.2 Ų49.217%0.16527%0.269CS..Iπ-helixtrans-132.1-61.2-173.4178.9173.2-179.7162.40113.4D88 N115 P122 E123D88-K119 VanDerWaalsContact CG-NZ 3.27Å; D88-K119 WeakPolarHBondContact OD1-CE 3.48Å; D88-K119 IonicContact OD1-NZ 3.24Å; D88-K119 PolarHBondContact OD1-NZ 3.41Å; D88-K119 IonicContact OD2-NZ 3.57Å; D88-K119 PolarHBondContact OD2-NZ 2.98Å; N115-K119 WeakPolarHBondContact O-CA 3.36Å; N115-K119 WeakPolarHBondContact O-CB 3.31Å; N115-K119 PolarHBondContact O-N 3.11Å; K119-P122 WeakPolarHBondContact O-CD 3.25Å; K119-E123 WeakPolarHBondContact O-CB 3.42Å; K119-E123 PolarHBondContact O-N 2.99Å
120W98.4Very high97.6Very high0 Ų051.6 Ų51.60%029%0.29CS..Iπ-helixtrans-68.9-44.9-165.3-62.5110000113.7V9 G10 D11 I103 N115 E123 V124V9-W120 HydrophobicContact CB-CE3 3.77Å; V9-W120 HydrophobicContact CB-CZ3 4.07Å; V9-W120 HydrophobicContact CG2-CE3 4.05Å; G10-W120 WeakPolarHBondContact O-CH2 3.4Å; G10-W120 WeakPolarHBondContact O-CZ2 3.42Å; D11-W120 PolarHBondContact OD1-NE1 3.47Å; I103-W120 HydrophobicContact CD1-CB 4.43Å; I103-W120 HydrophobicContact CG2-CB 3.7Å; I103-W120 HydrophobicContact CG2-CG 4.34Å; N115-W120 VanDerWaalsContact O-CD1 3.26Å; N115-W120 PolarHBondContact O-N 3.34Å; W120-E123 PolarHBondContact O-N 3.2Å; W120-V124 WeakPolarHBondContact O-CB 3.42Å; W120-V124 WeakPolarHBondContact O-CG2 3.38Å; W120-V124 PolarHBondContact O-N 2.99Å
121Y98.5Very high97.5Very high76 Ų7651.7 Ų51.730%0.29829%0.29SS..Hα-helixtrans-64.6-49.6176.2167.4-109.4000112.1V116 E123 V124 S125 I133 I172V116-Y121 VanDerWaalsContact O-CB 3.25Å; V116-Y121 WeakPolarHBondContact O-CB 3.25Å; V116-Y121 PolarHBondContact O-N 3Å; Y121-E123 VanDerWaalsContact C-N 3.32Å; Y121-E123 PolarHBondContact O-N 2.96Å; Y121-V124 PolarHBondContact O-N 3.39Å; Y121-S125 WeakPolarHBondContact O-CB 3.37Å; Y121-S125 PolarHBondContact O-N 3.2Å; Y121-I133 HydrophobicContact CD2-CD1 3.93Å; Y121-I133 HydrophobicContact CE2-CD1 4.2Å; Y121-I172 HydrophobicContact CD1-CB 4.13Å; Y121-I172 HydrophobicContact CD1-CG2 4.05Å; Y121-I172 HydrophobicContact CD2-CB 3.74Å; Y121-I172 HydrophobicContact CD2-CG2 4.4Å; Y121-I172 HydrophobicContact CE1-CB 4.49Å; Y121-I172 HydrophobicContact CE2-CB 4.14Å; Y121-I172 WeakPolarHBondContact CE2-O 3.45Å; Y121-I172 HydrophobicContact CG-CB 3.72Å; Y121-I172 HydrophobicContact CG-CG2 3.86Å
122P98.3Very high97.5Very high59 Ų5950.2 Ų50.238%0.38328%0.276SS..Hα-helixtrans-54-44173.5-2935000113.8R117 K119 H126R117-P122 VanDerWaalsContact O-CD 3.31Å; R117-P122 WeakPolarHBondContact O-CD 3.19Å; R117-P122 VanDerWaalsContact O-CG 3.3Å; R117-P122 WeakPolarHBondContact O-CG 3.47Å; K119-P122 WeakPolarHBondContact O-CD 3.25Å; P122-H126 VanDerWaalsContact O-CB 3.25Å; P122-H126 WeakPolarHBondContact O-CB 3.49Å; P122-H126 PolarHBondContact O-N 3.12Å
123E97.9Very high97.5Very high30 Ų3050.5 Ų50.514%0.1428%0.277CS..Hα-helixtrans-63.6-52179.2-172.3-178122.500111.8R91 Y95 K119 W120 Y121 S125 H126 H127R91-E123 WeakPolarHBondContact CD-OE1 3.28Å; R91-E123 IonicContact CZ-OE1 2.85Å; R91-E123 IonicContact NH1-OE1 2.69Å; R91-E123 PolarHBondContact NH1-OE1 3.47Å; R91-E123 IonicContact NH1-OE2 2.85Å; R91-E123 PolarHBondContact NH1-OE2 3.49Å; Y95-E123 HydrophobicContact CE2-CG 4.22Å; Y95-E123 PolarHBondContact OH-OE1 2.86Å; K119-E123 WeakPolarHBondContact O-CB 3.42Å; K119-E123 PolarHBondContact O-N 2.99Å; W120-E123 PolarHBondContact O-N 3.2Å; Y121-E123 VanDerWaalsContact C-N 3.32Å; Y121-E123 PolarHBondContact O-N 2.96Å; E123-S125 PolarHBondContact O-N 3.35Å; E123-H126 PolarHBondContact O-N 2.99Å; E123-H127 PolarHBondContact O-CD2 3.45Å; E123-H127 VanDerWaalsContact O-CD2 3.31Å; E123-H127 PolarHBondContact O-N 2.84Å
124V97.7Very high97.5Very high0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-62.1-43.8178.3171.40000111V9 F101 I103 W120 Y121 H126 H127 C128 I133V9-V124 HydrophobicContact CG2-CG2 3.82Å; F101-V124 HydrophobicContact CB-CG1 4.08Å; F101-V124 HydrophobicContact CD1-CG1 3.96Å; F101-V124 HydrophobicContact CD1-CG2 3.87Å; F101-V124 HydrophobicContact CD2-CG1 3.52Å; F101-V124 HydrophobicContact CE1-CG1 4.26Å; F101-V124 HydrophobicContact CE1-CG2 4.15Å; F101-V124 HydrophobicContact CE2-CG1 3.89Å; F101-V124 HydrophobicContact CG-CG1 3.57Å; F101-V124 HydrophobicContact CG-CG2 4.25Å; F101-V124 HydrophobicContact CZ-CG1 4.24Å; I103-V124 HydrophobicContact CD1-CG2 4.35Å; I103-V124 HydrophobicContact CG1-CG2 4.49Å; W120-V124 WeakPolarHBondContact O-CB 3.42Å; W120-V124 WeakPolarHBondContact O-CG2 3.38Å; W120-V124 PolarHBondContact O-N 2.99Å; Y121-V124 PolarHBondContact O-N 3.39Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 2.94Å; V124-H127 PolarHBondContact O-N 3.11Å; V124-C128 CarbonylContact O-C 3.6Å; V124-C128 WeakPolarHBondContact O-CA 3.41Å; V124-C128 PolarHBondContact O-N 3.36Å; V124-I133 HydrophobicContact CG1-CD1 3.89Å; V124-I133 HydrophobicContact CG1-CG1 4.12Å
125S97.1Very high97.5Very high40 Ų4046 Ų4628%0.2826%0.256SS..Hα-helixtrans-67.7-29.4-179.5-170.80000112.6Y121 E123 P129Y121-S125 WeakPolarHBondContact O-CB 3.37Å; Y121-S125 PolarHBondContact O-N 3.2Å; E123-S125 PolarHBondContact O-N 3.35Å; S125-P129 WeakPolarHBondContact O-CA 3.47Å; S125-P129 WeakPolarHBondContact O-CB 3.36Å
126H97.1Very high97.5Very high150 Ų15043.4 Ų43.469%0.69424%0.242SC*.Hα-helixtrans-67.6-45.9174.8178.372.8000111.5P122 E123 V124P122-H126 VanDerWaalsContact O-CB 3.25Å; P122-H126 WeakPolarHBondContact O-CB 3.49Å; P122-H126 PolarHBondContact O-N 3.12Å; E123-H126 PolarHBondContact O-N 2.99Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 2.94Å
127H96.3Very high97.5Very high87 Ų8743.4 Ų43.440%0.40324%0.242SC..Hα-helixtrans-84.5-30.5-176.7-73-76.7000114.1Y95 E123 V124Y95-H127 HydrophobicContact CD2-CB 3.6Å; Y95-H127 AromaticContact CD2-CD2 3.81Å; Y95-H127 AromaticContact CD2-CG 3.7Å; Y95-H127 HydrophobicContact CE2-CB 4.36Å; Y95-H127 AromaticContact CE2-CD2 3.89Å; Y95-H127 HydrophobicContact CG-CB 4.46Å; E123-H127 PolarHBondContact O-CD2 3.45Å; E123-H127 VanDerWaalsContact O-CD2 3.31Å; E123-H127 PolarHBondContact O-N 2.84Å; V124-H127 PolarHBondContact O-N 3.11Å
128C96Very high97.6Very high18 Ų1839.3 Ų39.312%0.12223%0.228CC..  trans-141.463.4-170.4-69.90000112F101 V124 S130 T131F101-C128 HydrophobicContact CD2-CB 4.41Å; F101-C128 HydrophobicContact CE2-CB 3.46Å; F101-C128 VanDerWaalsContact CE2-CB 3.46Å; F101-C128 HydrophobicContact CZ-CB 4.03Å; V124-C128 CarbonylContact O-C 3.6Å; V124-C128 WeakPolarHBondContact O-CA 3.41Å; V124-C128 PolarHBondContact O-N 3.36Å; C128-S130 VanDerWaalsContact C-N 3.26Å; C128-S130 PolarHBondContact O-N 3.4Å; C128-S130 VanDerWaalsContact O-N 3.13Å; C128-T131 PolarHBondContact O-N 3.28Å
129P95Very high97.5Very high86 Ų8639 Ų3956%0.55821%0.212SC*.THydrogen-bonded Turntrans-63.2-25.1-16923.2-34.9000115.1S125S125-P129 WeakPolarHBondContact O-CA 3.47Å; S125-P129 WeakPolarHBondContact O-CB 3.36Å
130S93.4Very high97.6Very high110 Ų11038.4 Ų38.477%0.76921%0.211SC*.THydrogen-bonded Turntrans-99-5.8-177.9-62.30000113.9C128C128-S130 VanDerWaalsContact C-N 3.26Å; C128-S130 PolarHBondContact O-N 3.4Å; C128-S130 VanDerWaalsContact O-N 3.13Å
131T96.7Very high97.6Very high22 Ų2240.6 Ų40.614%0.13522%0.223CC..SBendtrans-78.6134-175.1-56.70000110.1T98 D99 F101 C128T98-T131 HydrophobicContact CG2-CG2 4.25Å; T98-T131 VanDerWaalsContact O-CG2 3.26Å; T98-T131 WeakPolarHBondContact O-CG2 3.46Å; T98-T131 PolarHBondContact O-OG1 2.92Å; D99-T131 VanDerWaalsContact C-CG2 3.49Å; D99-T131 WeakPolarHBondContact O-CG2 3.15Å; F101-T131 HydrophobicContact CD2-CG2 3.53Å; F101-T131 HydrophobicContact CE2-CG2 3.78Å; C128-T131 PolarHBondContact O-N 3.28Å
132P97.8Very high97.5Very high24 Ų2439.2 Ų39.216%0.15622%0.22CC..  trans-62.2145.117624.8-34.2000111.7D99 V100 F101 V175 A198 V199D99-P132 WeakPolarHBondContact O-CD 3.43Å; D99-P132 WeakPolarHBondContact O-CG 3.38Å; V100-P132 HydrophobicContact CB-CG 4.15Å; V100-P132 HydrophobicContact CG2-CB 4.48Å; V100-P132 HydrophobicContact CG2-CG 4.18Å; F101-P132 PolarHBondContact N-O 3.4Å; P132-V175 HydrophobicContact CB-CG1 4.15Å; P132-V175 HydrophobicContact CB-CG2 4.33Å; P132-A198 HydrophobicContact CB-CB 4.02Å; P132-A198 HydrophobicContact CG-CB 4.31Å; P132-V199 HydrophobicContact CG-CG2 4.46Å
133I98.4Very high97.5Very high7 Ų738.4 Ų38.44%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-120.8132.1179.1-65.2169.2000108.3F101 I103 Y121 V124 I172 S174 V175F101-I133 HydrophobicContact CB-CG1 4.25Å; F101-I133 WeakPolarHBondContact O-CA 3.47Å; I103-I133 HydrophobicContact CB-CG2 4.43Å; I103-I133 HydrophobicContact CD1-CD1 4.25Å; I103-I133 HydrophobicContact CD1-CG2 3.67Å; I103-I133 HydrophobicContact CG1-CG2 3.84Å; Y121-I133 HydrophobicContact CD2-CD1 3.93Å; Y121-I133 HydrophobicContact CE2-CD1 4.2Å; V124-I133 HydrophobicContact CG1-CD1 3.89Å; V124-I133 HydrophobicContact CG1-CG1 4.12Å; I133-I172 HydrophobicContact CG2-CD1 4.4Å; I133-S174 CarbonylContact O-C 3.56Å; I133-S174 VanDerWaalsContact O-CA 3.3Å; I133-S174 WeakPolarHBondContact O-CA 3.35Å; I133-S174 VanDerWaalsContact O-CB 3.29Å; I133-S174 WeakPolarHBondContact O-CB 3.42Å; I133-V175 PolarHBondContact O-N 2.83Å
134I98.6Very high97.5Very high1 Ų145.1 Ų45.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-106125.9165.7-51.7-66.4000107.6V100 F101 L102 I103 V136 V175 K176 V178 A195 A198V100-I134 HydrophobicContact CG2-CG1 4.17Å; F101-I134 PolarHBondContact O-N 3.42Å; L102-I134 WeakPolarHBondContact CA-O 3.46Å; L102-I134 HydrophobicContact CD2-CB 3.63Å; L102-I134 HydrophobicContact CD2-CG1 3.95Å; L102-I134 HydrophobicContact CD2-CG2 4.19Å; I103-I134 PolarHBondContact N-O 3.08Å; I134-V136 HydrophobicContact CG2-CG2 3.97Å; I134-V175 HydrophobicContact CD1-CG2 3.38Å; I134-K176 HydrophobicContact CD1-CB 3.72Å; I134-K176 HydrophobicContact CG2-CB 4.39Å; I134-V178 HydrophobicContact CG2-CG2 3.72Å; I134-A195 HydrophobicContact CG1-CB 4.22Å; I134-A198 HydrophobicContact CD1-CB 4.16Å
135L98.8Very high97.4Very high0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-85.6127.9171.1-177.164.9000108.7I103 F105 V116 M168 A169 I172 K176 Y177 V178I103-L135 HydrophobicContact CB-CD1 4.43Å; I103-L135 HydrophobicContact CG2-CD1 4.34Å; F105-L135 HydrophobicContact CD1-CD1 3.81Å; F105-L135 HydrophobicContact CD1-CG 4.27Å; F105-L135 HydrophobicContact CE1-CD1 3.94Å; F105-L135 HydrophobicContact CE1-CD2 4.13Å; F105-L135 HydrophobicContact CE1-CG 3.88Å; V116-L135 HydrophobicContact CG1-CD1 3.71Å; V116-L135 HydrophobicContact CG2-CD1 4.04Å; L135-M168 HydrophobicContact CD2-CB 3.86Å; L135-M168 HydrophobicContact CD2-CG 3.66Å; L135-A169 HydrophobicContact CB-CB 4.33Å; L135-A169 HydrophobicContact CD2-CB 3.9Å; L135-I172 HydrophobicContact CB-CD1 4.38Å; L135-I172 HydrophobicContact CD1-CD1 4.16Å; L135-K176 PolarHBondContact N-O 2.86Å; L135-Y177 HydrophobicContact CB-CD2 4.12Å; L135-Y177 HydrophobicContact CD2-CD2 3.97Å; L135-Y177 HydrophobicContact CD2-CE2 4.37Å; L135-Y177 HydrophobicContact CG-CD2 3.93Å; L135-Y177 HydrophobicContact CG-CE2 4.34Å; L135-Y177 WeakPolarHBondContact O-CA 3.37Å; L135-Y177 WeakPolarHBondContact O-CD2 3.33Å; L135-V178 PolarHBondContact O-N 3.43Å
136V98.9Very high97.5Very high0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-122.9113.8-174.1-173.80000110.6L19 L102 I103 C104 F105 I134 T138 V178 V191L19-V136 HydrophobicContact CD2-CG1 4.23Å; L102-V136 HydrophobicContact CB-CG2 4.14Å; L102-V136 HydrophobicContact CD2-CG2 4.15Å; I103-V136 PolarHBondContact O-N 2.88Å; C104-V136 WeakPolarHBondContact CA-O 3.44Å; F105-V136 WeakPolarHBondContact CD1-O 3.12Å; F105-V136 PolarHBondContact N-O 2.72Å; I134-V136 HydrophobicContact CG2-CG2 3.97Å; V136-T138 HydrophobicContact CG1-CG2 4.13Å; V136-V178 CarbonylContact C-O 3.6Å; V136-V178 WeakPolarHBondContact CA-O 3.2Å; V136-V178 HydrophobicContact CB-CG2 4.35Å; V136-V178 HydrophobicContact CG1-CG2 4.27Å; V136-V178 HydrophobicContact CG2-CG2 3.85Å; V136-V191 HydrophobicContact CG1-CG1 4.19Å; V136-V191 HydrophobicContact CG1-CG2 4.14Å; V136-V191 HydrophobicContact CG2-CG1 3.75Å
137G98.9Very high97.5Very high0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-85.2110.9168.700000110.9V178 E179 C180G137-V178 PolarHBondContact N-O 3.47Å; G137-E179 CarbonylContact O-C 3.45Å; G137-E179 VanDerWaalsContact O-CA 3.25Å; G137-E179 WeakPolarHBondContact O-CA 3.42Å; G137-C180 PolarHBondContact O-N 3.44Å
138T98.8Very high97.5Very high4 Ų447.8 Ų47.83%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-94.2169-177.765.20000112.1V14 C104 F105 S106 L107 V136 L140 C180V14-T138 WeakPolarHBondContact O-CB 3.34Å; V14-T138 PolarHBondContact O-OG1 2.86Å; C104-T138 HydrophobicContact CB-CG2 4.12Å; F105-T138 PolarHBondContact O-N 3.02Å; F105-T138 PolarHBondContact O-OG1 3.35Å; S106-T138 WeakPolarHBondContact CA-OG1 3.37Å; L107-T138 WeakPolarHBondContact CB-O 3.42Å; L107-T138 VanDerWaalsContact CG-O 3.28Å; L107-T138 WeakPolarHBondContact CG-O 3.2Å; L107-T138 PolarHBondContact N-O 3Å; V136-T138 HydrophobicContact CG1-CG2 4.13Å; T138-L140 PolarHBondContact O-N 3.31Å; T138-C180 CarbonylContact C-O 3.58Å; T138-C180 WeakPolarHBondContact CA-O 3.14Å
139K98Very high97.6Very high66 Ų6648.8 Ų48.829%0.28726%0.257SS..  trans59.941.7179-47-169.2-171.8-176.20113A13 V14 V108 D141 L142 C180A13-K139 VanDerWaalsContact O-CE 3.23Å; A13-K139 WeakPolarHBondContact O-CE 3.47Å; A13-K139 PolarHBondContact O-NZ 3.01Å; V14-K139 WeakPolarHBondContact O-CE 3.47Å; V108-K139 HydrophobicContact CG2-CB 4.45Å; V108-K139 HydrophobicContact CG2-CD 4.32Å; K139-D141 PolarHBondContact O-N 3.23Å; K139-L142 HydrophobicContact CB-CB 4.49Å; K139-L142 HydrophobicContact CB-CD1 4.09Å; K139-L142 HydrophobicContact CB-CG 4.28Å; K139-L142 HydrophobicContact CD-CD1 3.96Å; K139-L142 PolarHBondContact O-N 3.3Å; K139-C180 PolarHBondContact N-O 3.36Å; K139-C180 VanDerWaalsContact N-O 3.1Å
140L98.6Very high97.7Very high27 Ų2750 Ų5014%0.14126%0.255CS..G310 helixtrans-55.7-32.6178.817861.4000113.3L107 T138 L142 R143 E179 C180 K186L107-L140 HydrophobicContact CD1-CB 3.95Å; L107-L140 HydrophobicContact CD1-CD1 3.77Å; L107-L140 HydrophobicContact CD1-CG 4.49Å; T138-L140 PolarHBondContact O-N 3.31Å; L140-L142 PolarHBondContact O-N 3.22Å; L140-R143 WeakPolarHBondContact O-CB 2.92Å; L140-R143 PolarHBondContact O-N 3.21Å; L140-E179 HydrophobicContact CD1-CB 4.42Å; L140-E179 WeakPolarHBondContact CD1-OE2 3.5Å; L140-E179 HydrophobicContact CD2-CB 4.27Å; L140-C180 WeakPolarHBondContact CB-O 3.39Å; L140-C180 PolarHBondContact N-O 3Å; L140-K186 HydrophobicContact CD2-CD 3.94Å; L140-K186 HydrophobicContact CD2-CG 4.27Å
141D97.8Very high97.9Very high45 Ų4550.8 Ų50.824%0.24125%0.245CC..G310 helixtrans-57.4-32.4174.751-70.6000113.2K139 S181 T184K139-D141 PolarHBondContact O-N 3.23Å; D141-S181 WeakPolarHBondContact CB-OG 3.29Å; D141-S181 WeakPolarHBondContact OD1-CB 3.23Å; D141-S181 PolarHBondContact OD1-OG 3.44Å; D141-T184 HydrophobicContact CB-CG2 3.91Å
142L98Very high97.9Very high47 Ų4750.4 Ų50.425%0.24624%0.242CC..G310 helixtrans-84.8-8.5-177.4-57.9-176.2000113.7V108 K139 L140 E144 D145 T148V108-L142 HydrophobicContact CB-CB 4.4Å; V108-L142 HydrophobicContact CG1-CB 3.66Å; V108-L142 WeakPolarHBondContact CG1-O 3.01Å; V108-L142 HydrophobicContact CG2-CB 3.95Å; V108-L142 HydrophobicContact CG2-CD1 3.86Å; K139-L142 HydrophobicContact CB-CB 4.49Å; K139-L142 HydrophobicContact CB-CD1 4.09Å; K139-L142 HydrophobicContact CB-CG 4.28Å; K139-L142 HydrophobicContact CD-CD1 3.96Å; K139-L142 PolarHBondContact O-N 3.3Å; L140-L142 PolarHBondContact O-N 3.22Å; L142-E144 VanDerWaalsContact C-N 3.26Å; L142-E144 PolarHBondContact O-N 2.94Å; L142-D145 HydrophobicContact CD2-CB 4.24Å; L142-D145 PolarHBondContact O-N 2.84Å; L142-T148 HydrophobicContact CB-CG2 4.2Å
143R98.1Very high97.9Very high43 Ų4357.8 Ų57.816%0.16227%0.267CS..G310 helixtrans-63.1-35.2-178.8-179.9-175-78.9160.5-5.9112L140 P159 I160 E179L140-R143 WeakPolarHBondContact O-CB 2.92Å; L140-R143 PolarHBondContact O-N 3.21Å; R143-P159 HydrophobicContact CG-CB 4Å; R143-I160 PolarHBondContact NE-O 3.07Å; R143-I160 VanDerWaalsContact NE-O 3.08Å; R143-I160 PolarHBondContact NH2-O 3.49Å; R143-E179 IonicContact CZ-OE1 2.65Å; R143-E179 IonicContact CZ-OE2 3.86Å; R143-E179 IonicContact NH1-OE1 2.77Å; R143-E179 PolarHBondContact NH1-OE1 3.1Å; R143-E179 IonicContact NH1-OE2 3.13Å; R143-E179 PolarHBondContact NH1-OE2 3.07Å; R143-E179 IonicContact NH2-OE1 3.71Å; R143-E179 PolarHBondContact NH2-OE1 2.88Å; R143-E179 IonicContact NH2-OE2 2.78Å; R143-E179 PolarHBondContact NH2-OE2 2.85Å
144E96.4Very high97.8Very high170 Ų17064.9 Ų64.979%0.79430%0.3SS*.SBendtrans-107.53.1-178.7-65.3177-174.600112.4L142 K146L142-E144 VanDerWaalsContact C-N 3.26Å; L142-E144 PolarHBondContact O-N 2.94Å; E144-K146 PolarHBondContact O-N 2.81Å
145D97.4Very high97.7Very high57 Ų5774.1 Ų74.131%0.30534%0.335SS..  trans-71125.5178.7174.959.3000111.2L142 T148 I149L142-D145 HydrophobicContact CD2-CB 4.24Å; L142-D145 PolarHBondContact O-N 2.84Å; D145-T148 PolarHBondContact O-N 3.05Å; D145-T148 WeakPolarHBondContact OD2-CB 3.26Å; D145-T148 PolarHBondContact OD2-N 3.19Å; D145-T148 PolarHBondContact OD2-OG1 2.55Å; D145-I149 WeakPolarHBondContact O-CB 3.43Å; D145-I149 WeakPolarHBondContact O-CD1 3.5Å; D145-I149 VanDerWaalsContact O-CG1 3.22Å; D145-I149 WeakPolarHBondContact O-CG1 3.35Å; D145-I149 PolarHBondContact O-N 3.48Å
146K97.6Very high97.6Very high157 Ų15785.6 Ų85.668%0.68338%0.378SS*.Hα-helixtrans-62.6-49.4-172.4-67.3-176.9-179.2178.20111.8E144 T148 I149 E150E144-K146 PolarHBondContact O-N 2.81Å; K146-T148 VanDerWaalsContact C-N 3.3Å; K146-T148 PolarHBondContact O-N 3.08Å; K146-I149 PolarHBondContact O-N 3.02Å; K146-E150 WeakPolarHBondContact O-CG 3.29Å; K146-E150 PolarHBondContact O-N 2.89Å
147D97.4Very high97.5Very high95 Ų9589.1 Ų89.151%0.50840%0.397SS..Hα-helixtrans-62.9-39.7-178.2-65.7-2.1000111.1K151D147-K151 WeakPolarHBondContact O-CB 2.78Å; D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.41Å; D147-K151 PolarHBondContact O-N 2.58Å
148T96.6Very high97.5Very high24 Ų2495.2 Ų95.215%0.14743%0.425CS..Hα-helixtrans-66.9-42.8176.1-60.30000111.9V108 L142 D145 K146 E150 K151 L152V108-T148 HydrophobicContact CB-CG2 3.73Å; V108-T148 HydrophobicContact CG1-CG2 3.69Å; V108-T148 HydrophobicContact CG2-CG2 4.14Å; L142-T148 HydrophobicContact CB-CG2 4.2Å; D145-T148 PolarHBondContact O-N 3.05Å; D145-T148 WeakPolarHBondContact OD2-CB 3.26Å; D145-T148 PolarHBondContact OD2-N 3.19Å; D145-T148 PolarHBondContact OD2-OG1 2.55Å; K146-T148 VanDerWaalsContact C-N 3.3Å; K146-T148 PolarHBondContact O-N 3.08Å; T148-E150 VanDerWaalsContact C-N 3.35Å; T148-K151 PolarHBondContact O-N 3.05Å; T148-L152 HydrophobicContact CG2-CD1 4.24Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.46Å
149I97.6Very high97.5Very high40 Ų4095.9 Ų95.921%0.20543%0.429CS..Hα-helixtrans-62.2-43.2176.1-70.5165000110.7D145 K146 L152 R153 P159D145-I149 WeakPolarHBondContact O-CB 3.43Å; D145-I149 WeakPolarHBondContact O-CD1 3.5Å; D145-I149 VanDerWaalsContact O-CG1 3.22Å; D145-I149 WeakPolarHBondContact O-CG1 3.35Å; D145-I149 PolarHBondContact O-N 3.48Å; K146-I149 PolarHBondContact O-N 3.02Å; I149-L152 PolarHBondContact O-N 2.93Å; I149-R153 HydrophobicContact CG2-CG 4.41Å; I149-R153 VanDerWaalsContact O-CG 3.31Å; I149-R153 WeakPolarHBondContact O-CG 3.2Å; I149-R153 PolarHBondContact O-N 3.5Å; I149-P159 HydrophobicContact CG1-CG 4.11Å
150E97.6Very high97.5Very high110 Ų11093 Ų9351%0.51442%0.417SS..Hα-helixtrans-62-48.8178.1-74.3175.9-173.100111.6K146 T148 L152 R153 E154K146-E150 WeakPolarHBondContact O-CG 3.29Å; K146-E150 PolarHBondContact O-N 2.89Å; T148-E150 VanDerWaalsContact C-N 3.35Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.04Å; E150-R153 WeakPolarHBondContact O-CB 3.43Å; E150-R153 PolarHBondContact O-N 3.39Å; E150-E154 PolarHBondContact O-N 3.11Å
151K96.9Very high97.5Very high127 Ų12795 Ų9555%0.55243%0.43SS*.Hα-helixtrans-59.3-36175.6-73.4169-175.7165.60113.4D147 T148D147-K151 WeakPolarHBondContact O-CB 2.78Å; D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.41Å; D147-K151 PolarHBondContact O-N 2.58Å; T148-K151 PolarHBondContact O-N 3.05Å
152L97.5Very high97.5Very high15 Ų1596.7 Ų96.78%0.07944%0.436CS..Hα-helixtrans-69.7-42174.6-75.7171.3000111.3V108 T148 I149 E150 E154 R155 R156 L157 P159V108-L152 HydrophobicContact CB-CD1 4.12Å; V108-L152 HydrophobicContact CG1-CD1 4.43Å; T148-L152 HydrophobicContact CG2-CD1 4.24Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.46Å; I149-L152 PolarHBondContact O-N 2.93Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.04Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 2.96Å; L152-R155 CarbonylContact O-C 3.43Å; L152-R155 WeakPolarHBondContact O-CA 3.28Å; L152-R155 PolarHBondContact O-N 2.64Å; L152-R156 PolarHBondContact O-N 3.35Å; L152-L157 CarbonylContact C-O 3.58Å; L152-L157 VanDerWaalsContact C-O 3.29Å; L152-L157 HydrophobicContact CB-CB 4.23Å; L152-L157 HydrophobicContact CD2-CB 3.89Å; L152-L157 HydrophobicContact CD2-CD1 4.27Å; L152-L157 PolarHBondContact O-N 2.54Å; L152-P159 HydrophobicContact CD1-CG 3.78Å
153R96.9Very high97.5Very high179 Ų179100.9 Ų100.968%0.67546%0.455SS*.Hα-helixtrans-62-37.5178.1-76.9175.8177.8-179.21.4112.8I149 E150 R155 R156I149-R153 HydrophobicContact CG2-CG 4.41Å; I149-R153 VanDerWaalsContact O-CG 3.31Å; I149-R153 WeakPolarHBondContact O-CG 3.2Å; I149-R153 PolarHBondContact O-N 3.5Å; E150-R153 WeakPolarHBondContact O-CB 3.43Å; E150-R153 PolarHBondContact O-N 3.39Å; R153-R155 PolarHBondContact O-N 3.16Å; R153-R156 WeakPolarHBondContact O-CA 3.46Å; R153-R156 PolarHBondContact O-N 3.21Å
154E97.2Very high97.5Very high155 Ų155102 Ų10272%0.72446%0.462SS*.Hα-helixtrans-55-32.4172.6-71.4173.6177.800112.2E150 L152E150-E154 PolarHBondContact O-N 3.11Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 2.96Å
155R96.2Very high97.6Very high196 Ų19693.9 Ų93.974%0.7442%0.424SS*.THydrogen-bonded Turntrans-96.19.7177.5-57.6-179.6-174.2-172.6-0.3113.3L152 R153 L157L152-R155 CarbonylContact O-C 3.43Å; L152-R155 WeakPolarHBondContact O-CA 3.28Å; L152-R155 PolarHBondContact O-N 2.64Å; R153-R155 PolarHBondContact O-N 3.16Å; R155-L157 HydrophobicContact CB-CD1 4.18Å; R155-L157 HydrophobicContact CB-CG 4.24Å; R155-L157 PolarHBondContact O-N 3.02Å
156R97.2Very high97.7Very high240 Ų24094.5 Ų94.591%0.90643%0.427SS*.THydrogen-bonded Turntrans56.532.8-174.5-53.4179.9-178-177.3-0113.4L152 R153L152-R156 PolarHBondContact O-N 3.35Å; R153-R156 WeakPolarHBondContact O-CA 3.46Å; R153-R156 PolarHBondContact O-N 3.21Å
157L97.3Very high97.8Very high75 Ų7589.8 Ų89.839%0.39342%0.417SS..  trans-109.2164.1176.3-63.9176.5000110.3P110 L152 R155P110-L157 HydrophobicContact CB-CD2 4.49Å; P110-L157 HydrophobicContact CG-CB 4.33Å; P110-L157 HydrophobicContact CG-CD1 4.42Å; P110-L157 HydrophobicContact CG-CD2 4.39Å; L152-L157 CarbonylContact C-O 3.58Å; L152-L157 VanDerWaalsContact C-O 3.29Å; L152-L157 HydrophobicContact CB-CB 4.23Å; L152-L157 HydrophobicContact CD2-CB 3.89Å; L152-L157 HydrophobicContact CD2-CD1 4.27Å; L152-L157 PolarHBondContact O-N 2.54Å; R155-L157 HydrophobicContact CB-CD1 4.18Å; R155-L157 HydrophobicContact CB-CG 4.24Å; R155-L157 PolarHBondContact O-N 3.02Å
158Q97.7Very high97.8Very high128 Ų12885.2 Ų85.260%0.59839%0.393SS*.  trans-137.3154.417364.6-176.524.500109.8P110P110-Q158 WeakPolarHBondContact CG-O 3.19Å
159P98.4Very high97.9Very high17 Ų1784.4 Ų84.411%0.1139%0.389CS..PPolyproline II helixtrans-55.9148.5170.5-24.133.7000112L107 V108 R143 I149 L152 V161L107-P159 CarbonylContact O-C 3.58Å; L107-P159 WeakPolarHBondContact O-CA 3.36Å; V108-P159 HydrophobicContact CG1-CB 4.35Å; V108-P159 HydrophobicContact CG1-CG 4.46Å; R143-P159 HydrophobicContact CG-CB 4Å; I149-P159 HydrophobicContact CG1-CG 4.11Å; L152-P159 HydrophobicContact CD1-CG 3.78Å; P159-V161 PolarHBondContact O-N 2.86Å
160I98.6Very high97.9Very high5 Ų591.5 Ų91.53%0.02642%0.418CS..PPolyproline II helixtrans-70119.8174.6-55.9-56.7000109.2F105 L107 P110 F113 R143 Q164F105-I160 HydrophobicContact CE2-CB 4.15Å; F105-I160 HydrophobicContact CE2-CG1 4.21Å; F105-I160 HydrophobicContact CE2-CG2 3.94Å; F105-I160 HydrophobicContact CZ-CG2 4.36Å; L107-I160 HydrophobicContact CD2-CB 4.2Å; L107-I160 HydrophobicContact CD2-CG2 4.47Å; L107-I160 PolarHBondContact O-N 3.4Å; P110-I160 HydrophobicContact CB-CD1 4.06Å; P110-I160 HydrophobicContact CG-CD1 4.22Å; F113-I160 HydrophobicContact CB-CD1 4.03Å; F113-I160 HydrophobicContact CB-CG1 3.95Å; F113-I160 HydrophobicContact CD1-CD1 3.8Å; F113-I160 HydrophobicContact CD1-CG1 4.37Å; F113-I160 HydrophobicContact CD2-CG1 4.5Å; F113-I160 HydrophobicContact CD2-CG2 4.08Å; F113-I160 HydrophobicContact CE1-CD1 4.45Å; F113-I160 HydrophobicContact CE2-CG2 4.07Å; F113-I160 HydrophobicContact CG-CD1 3.95Å; F113-I160 HydrophobicContact CG-CG1 4.03Å; F113-I160 HydrophobicContact CG-CG2 4.29Å; F113-I160 HydrophobicContact CZ-CG2 4.3Å; R143-I160 PolarHBondContact NE-O 3.07Å; R143-I160 VanDerWaalsContact NE-O 3.08Å; R143-I160 PolarHBondContact NH2-O 3.49Å; I160-Q164 HydrophobicContact CG2-CB 3.79Å
161V98.3Very high97.9Very high70 Ų7091.2 Ų91.242%0.42442%0.416SS..PPolyproline II helixtrans-80.5156176.7-57.80000111.1P159 Q163 Q164 G165P159-V161 PolarHBondContact O-N 2.86Å; V161-Q163 PolarHBondContact O-N 2.82Å; V161-Q163 VanDerWaalsContact O-N 3.12Å; V161-Q164 HydrophobicContact CG2-CB 4.38Å; V161-Q164 HydrophobicContact CG2-CG 3.76Å; V161-Q164 WeakPolarHBondContact O-CB 3.17Å; V161-Q164 PolarHBondContact O-N 3.19Å; V161-G165 PolarHBondContact O-N 3.44Å
162H98.4Very high98Very high81 Ų8185.3 Ų85.338%0.37539%0.391SS..Hα-helixtrans-52.4-40.1-176-171.968.7000113.8Q164 G165 L166 Y177 E179H162-Q164 VanDerWaalsContact C-N 3.33Å; H162-Q164 PolarHBondContact O-N 3.17Å; H162-G165 PolarHBondContact O-N 2.87Å; H162-L166 PolarHBondContact O-N 2.7Å; H162-Y177 AromaticContact CE1-CD1 3.82Å; H162-Y177 AromaticContact CE1-CE1 3.7Å; H162-Y177 AromaticContact ND1-CE1 3.53Å; H162-E179 WeakPolarHBondContact CA-OE1 3.22Å; H162-E179 IonicContact CE1-OE1 3.61Å; H162-E179 IonicContact CG-OE1 2.73Å; H162-E179 VanDerWaalsContact ND1-CD 3.34Å; H162-E179 IonicContact ND1-OE1 2.75Å; H162-E179 PolarHBondContact ND1-OE1 2.78Å; H162-E179 IonicContact ND1-OE2 3.77Å
163Q98.4Very high97.9Very high134 Ų13486.4 Ų86.463%0.62641%0.405SS*.Hα-helixtrans-64.8-34.1179.7-66.6-59.3-34.200113.2V161 L166 A167V161-Q163 PolarHBondContact O-N 2.82Å; V161-Q163 VanDerWaalsContact O-N 3.12Å; Q163-L166 PolarHBondContact O-N 3.46Å; Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 3.33Å
164Q98.7Very high97.9Very high67 Ų6778.7 Ų78.731%0.31338%0.379SS..Hα-helixtrans-66-43.2174.5-68.2174.1-69.800110.2F113 I160 V161 H162 L166 A167 M168F113-Q164 HydrophobicContact CE1-CB 4.35Å; F113-Q164 HydrophobicContact CZ-CB 4.01Å; F113-Q164 WeakPolarHBondContact CZ-O 3.31Å; I160-Q164 HydrophobicContact CG2-CB 3.79Å; V161-Q164 HydrophobicContact CG2-CB 4.38Å; V161-Q164 HydrophobicContact CG2-CG 3.76Å; V161-Q164 WeakPolarHBondContact O-CB 3.17Å; V161-Q164 PolarHBondContact O-N 3.19Å; H162-Q164 VanDerWaalsContact C-N 3.33Å; H162-Q164 PolarHBondContact O-N 3.17Å; Q164-L166 PolarHBondContact O-N 3.12Å; Q164-A167 WeakPolarHBondContact O-CB 3.37Å; Q164-A167 PolarHBondContact O-N 3.04Å; Q164-M168 PolarHBondContact O-N 2.79Å
165G98.7Very high97.9Very high0 Ų074 Ų740%036%0.361CS..Hα-helixtrans-60.4-43.4175.300000113.5V161 H162 A167 M168 A169V161-G165 PolarHBondContact O-N 3.44Å; H162-G165 PolarHBondContact O-N 2.87Å; G165-A167 VanDerWaalsContact C-N 3.34Å; G165-A167 PolarHBondContact O-N 2.99Å; G165-M168 PolarHBondContact O-N 3.38Å; G165-A169 WeakPolarHBondContact O-CB 3.48Å; G165-A169 PolarHBondContact O-N 3.29Å
166L98.6Very high98Very high69 Ų6969.2 Ų69.236%0.36135%0.345SS..Hα-helixtrans-61-41.1173.2-73.3172.6000112.4H162 Q163 Q164 A169 K170 Y177H162-L166 PolarHBondContact O-N 2.7Å; Q163-L166 PolarHBondContact O-N 3.46Å; Q164-L166 PolarHBondContact O-N 3.12Å; L166-A169 PolarHBondContact O-N 3.13Å; L166-K170 PolarHBondContact O-N 2.91Å; L166-K170 VanDerWaalsContact O-N 3.09Å; L166-Y177 HydrophobicContact CD2-CD1 3.85Å; L166-Y177 HydrophobicContact CD2-CG 4.49Å; L166-Y177 HydrophobicContact CG-CD1 3.92Å
167A98.6Very high98Very high58 Ų5858.5 Ų58.548%0.47931%0.305SS..Hα-helixtrans-64.2-45.6177.600000111.8Q163 Q164 G165 K170 E171Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 3.33Å; Q164-A167 WeakPolarHBondContact O-CB 3.37Å; Q164-A167 PolarHBondContact O-N 3.04Å; G165-A167 VanDerWaalsContact C-N 3.34Å; G165-A167 PolarHBondContact O-N 2.99Å; A167-K170 PolarHBondContact O-N 2.99Å; A167-E171 PolarHBondContact O-N 3.49Å
168M98.7Very high98.1Very high0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-61.3-44.2175.1-18071.874.200112F113 V116 R117 L135 Q164 G165 K170 E171 I172F113-M168 HydrophobicContact CD1-CE 3.97Å; F113-M168 HydrophobicContact CD2-CE 4.07Å; F113-M168 HydrophobicContact CE1-CE 3.65Å; F113-M168 HydrophobicContact CE2-CB 3.51Å; F113-M168 HydrophobicContact CE2-CE 3.77Å; F113-M168 HydrophobicContact CE2-CG 3.86Å; F113-M168 HydrophobicContact CG-CE 4.18Å; F113-M168 HydrophobicContact CZ-CB 3.57Å; F113-M168 HydrophobicContact CZ-CE 3.56Å; F113-M168 HydrophobicContact CZ-CG 4.19Å; F113-M168 WeakPolarHBondContact O-CE 3.3Å; V116-M168 HydrophobicContact CB-CE 4.32Å; V116-M168 HydrophobicContact CB-CG 4.32Å; V116-M168 HydrophobicContact CB-SD 4.1Å; V116-M168 HydrophobicContact CG1-CG 3.85Å; V116-M168 HydrophobicContact CG1-SD 3.91Å; R117-M168 HydrophobicContact CB-CE 4.44Å; R117-M168 HydrophobicContact CB-SD 3.91Å; R117-M168 HydrophobicContact CG-CE 4.27Å; R117-M168 HydrophobicContact CG-SD 4.37Å; L135-M168 HydrophobicContact CD2-CB 3.86Å; L135-M168 HydrophobicContact CD2-CG 3.66Å; Q164-M168 PolarHBondContact O-N 2.79Å; G165-M168 PolarHBondContact O-N 3.38Å; M168-K170 VanDerWaalsContact C-N 3.29Å; M168-K170 PolarHBondContact O-N 3.38Å; M168-E171 WeakPolarHBondContact O-CB 3.33Å; M168-E171 PolarHBondContact O-N 3.36Å; M168-E171 VanDerWaalsContact O-N 3.11Å; M168-I172 WeakPolarHBondContact O-CG1 3.49Å; M168-I172 PolarHBondContact O-N 2.98Å; M168-I172 HydrophobicContact SD-CG2 4.13Å
169A98.5Very high98.1Very high7 Ų750.6 Ų50.66%0.05827%0.266CS..Hα-helixtrans-57.3-43.3177.200000112.3L135 G165 L166 G173 S174 Y177L135-A169 HydrophobicContact CB-CB 4.33Å; L135-A169 HydrophobicContact CD2-CB 3.9Å; G165-A169 WeakPolarHBondContact O-CB 3.48Å; G165-A169 PolarHBondContact O-N 3.29Å; L166-A169 PolarHBondContact O-N 3.13Å; A169-G173 PolarHBondContact O-N 2.95Å; A169-G173 VanDerWaalsContact O-N 3.17Å; A169-S174 WeakPolarHBondContact CA-OG 3.38Å; A169-S174 WeakPolarHBondContact CB-OG 3.37Å; A169-S174 PolarHBondContact O-N 3.06Å; A169-S174 PolarHBondContact O-OG 2.7Å; A169-Y177 HydrophobicContact CB-CG 4.44Å
170K97.8Very high98.2Very high188 Ų18849.8 Ų49.882%0.81726%0.262SS*.Hα-helixtrans-64.5-41.6174.6-175.1-179.9178.2-176.80112L166 A167 M168 G173L166-K170 PolarHBondContact O-N 2.91Å; L166-K170 VanDerWaalsContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 2.99Å; M168-K170 VanDerWaalsContact C-N 3.29Å; M168-K170 PolarHBondContact O-N 3.38Å; K170-G173 PolarHBondContact O-N 3.47Å
171E97.8Very high98.1Very high104 Ų10449.6 Ų49.649%0.48626%0.26SS..Hα-helixtrans-62.1-45.7-180-176.5177.6151.600112.5R117 A167 M168 G173R117-E171 IonicContact CZ-OE1 3.95Å; R117-E171 IonicContact CZ-OE2 2.82Å; R117-E171 IonicContact NE-OE1 2.83Å; R117-E171 PolarHBondContact NE-OE1 3.01Å; R117-E171 IonicContact NE-OE2 2.99Å; R117-E171 IonicContact NH1-OE1 3.21Å; R117-E171 PolarHBondContact NH1-OE1 3.34Å; R117-E171 IonicContact NH1-OE2 3.64Å; R117-E171 PolarHBondContact NH1-OE2 2.98Å; R117-E171 IonicContact NH2-OE1 3.05Å; R117-E171 IonicContact NH2-OE2 3.46Å; R117-E171 PolarHBondContact NH2-OE2 2.56Å; A167-E171 PolarHBondContact O-N 3.49Å; M168-E171 WeakPolarHBondContact O-CB 3.33Å; M168-E171 PolarHBondContact O-N 3.36Å; M168-E171 VanDerWaalsContact O-N 3.11Å; E171-G173 VanDerWaalsContact C-N 3.3Å; E171-G173 PolarHBondContact O-N 3.05Å
172I97.5Very high98Very high4 Ų446.8 Ų46.82%0.02124%0.244CC..THydrogen-bonded Turntrans-85-1.2-179.373.4177.1000113.6V116 Y121 I133 L135 M168 S174V116-I172 HydrophobicContact CG1-CD1 3.81Å; V116-I172 HydrophobicContact CG1-CG2 4.28Å; Y121-I172 HydrophobicContact CD1-CB 4.13Å; Y121-I172 HydrophobicContact CD1-CG2 4.05Å; Y121-I172 HydrophobicContact CD2-CB 3.74Å; Y121-I172 HydrophobicContact CD2-CG2 4.4Å; Y121-I172 HydrophobicContact CE1-CB 4.49Å; Y121-I172 HydrophobicContact CE2-CB 4.14Å; Y121-I172 WeakPolarHBondContact CE2-O 3.45Å; Y121-I172 HydrophobicContact CG-CB 3.72Å; Y121-I172 HydrophobicContact CG-CG2 3.86Å; I133-I172 HydrophobicContact CG2-CD1 4.4Å; L135-I172 HydrophobicContact CB-CD1 4.38Å; L135-I172 HydrophobicContact CD1-CD1 4.16Å; M168-I172 WeakPolarHBondContact O-CG1 3.49Å; M168-I172 PolarHBondContact O-N 2.98Å; M168-I172 HydrophobicContact SD-CG2 4.13Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.79Å
173G96.4Very high97.8Very high37 Ų3747.5 Ų47.538%0.38125%0.251SS..THydrogen-bonded Turntrans65.131.8-17700000114.1A169 K170 E171 R205A169-G173 PolarHBondContact O-N 2.95Å; A169-G173 VanDerWaalsContact O-N 3.17Å; K170-G173 PolarHBondContact O-N 3.47Å; E171-G173 VanDerWaalsContact C-N 3.3Å; E171-G173 PolarHBondContact O-N 3.05Å; G173-R205 PolarHBondContact O-NH2 2.94Å
174S97.1Very high97.6Very high18 Ų1845 Ų4513%0.12624%0.244CC..  trans-65.3145.2172.9820000109.8I133 A169 I172 K176I133-S174 CarbonylContact O-C 3.56Å; I133-S174 VanDerWaalsContact O-CA 3.3Å; I133-S174 WeakPolarHBondContact O-CA 3.35Å; I133-S174 VanDerWaalsContact O-CB 3.29Å; I133-S174 WeakPolarHBondContact O-CB 3.42Å; A169-S174 WeakPolarHBondContact CA-OG 3.38Å; A169-S174 WeakPolarHBondContact CB-OG 3.37Å; A169-S174 PolarHBondContact O-N 3.06Å; A169-S174 PolarHBondContact O-OG 2.7Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.79Å; S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact OG-O 3.34Å
175V96.6Very high97.4Very high56 Ų5644.7 Ų44.734%0.33924%0.243SC..SBendtrans-77.4-21-179.4-56.10000111.7P132 I133 I134 A198P132-V175 HydrophobicContact CB-CG1 4.15Å; P132-V175 HydrophobicContact CB-CG2 4.33Å; I133-V175 PolarHBondContact O-N 2.83Å; I134-V175 HydrophobicContact CD1-CG2 3.38Å; V175-A198 HydrophobicContact CG2-CB 3.66Å
176K97.7Very high97.4Very high95 Ų9551.3 Ų51.341%0.41327%0.272SS..EExtended strand (participates in β ladder)trans-151154.1174.3-153.768.7175.4-1210111.6I134 L135 S174 V178 E194I134-K176 HydrophobicContact CD1-CB 3.72Å; I134-K176 HydrophobicContact CG2-CB 4.39Å; L135-K176 PolarHBondContact N-O 2.86Å; S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact OG-O 3.34Å; K176-V178 HydrophobicContact CG-CG1 3.97Å; K176-E194 WeakPolarHBondContact CD-OE2 3.41Å; K176-E194 VanDerWaalsContact CE-OE2 3.24Å; K176-E194 WeakPolarHBondContact CE-OE2 3.33Å; K176-E194 HydrophobicContact CG-CB 4.45Å; K176-E194 HydrophobicContact CG-CG 4.24Å; K176-E194 WeakPolarHBondContact CG-OE2 3.19Å; K176-E194 IonicContact NZ-OE2 3.52Å; K176-E194 PolarHBondContact NZ-OE2 2.69Å
177Y98.6Very high97.3Very high16 Ų1649.3 Ų49.36%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-112.6130.1160.9177.5-130.3000108.9F105 L135 H162 L166 A169 E179F105-Y177 AromaticContact CE1-CE2 3.89Å; F105-Y177 HydrophobicContact CE1-CE2 3.89Å; F105-Y177 AromaticContact CZ-CE2 3.98Å; F105-Y177 HydrophobicContact CZ-CE2 3.98Å; L135-Y177 HydrophobicContact CB-CD2 4.12Å; L135-Y177 HydrophobicContact CD2-CD2 3.97Å; L135-Y177 HydrophobicContact CD2-CE2 4.37Å; L135-Y177 HydrophobicContact CG-CD2 3.93Å; L135-Y177 HydrophobicContact CG-CE2 4.34Å; L135-Y177 WeakPolarHBondContact O-CA 3.37Å; L135-Y177 WeakPolarHBondContact O-CD2 3.33Å; H162-Y177 AromaticContact CE1-CD1 3.82Å; H162-Y177 AromaticContact CE1-CE1 3.7Å; H162-Y177 AromaticContact ND1-CE1 3.53Å; L166-Y177 HydrophobicContact CD2-CD1 3.85Å; L166-Y177 HydrophobicContact CD2-CG 4.49Å; L166-Y177 HydrophobicContact CG-CD1 3.92Å; A169-Y177 HydrophobicContact CB-CG 4.44Å; Y177-E179 HydrophobicContact CE1-CG 3.91Å; Y177-E179 WeakPolarHBondContact CE1-OE1 3.29Å; Y177-E179 HydrophobicContact CE2-CG 4.19Å; Y177-E179 VanDerWaalsContact OH-CG 3.3Å; Y177-E179 WeakPolarHBondContact OH-CG 3.14Å; Y177-E179 PolarHBondContact OH-OE1 2.83Å
178V98.6Very high97.3Very high6 Ų646.6 Ų46.64%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-134.5151.5176.2-64.60000110I134 L135 V136 G137 K176 V191 E194I134-V178 HydrophobicContact CG2-CG2 3.72Å; L135-V178 PolarHBondContact O-N 3.43Å; V136-V178 CarbonylContact C-O 3.6Å; V136-V178 WeakPolarHBondContact CA-O 3.2Å; V136-V178 HydrophobicContact CB-CG2 4.35Å; V136-V178 HydrophobicContact CG1-CG2 4.27Å; V136-V178 HydrophobicContact CG2-CG2 3.85Å; G137-V178 PolarHBondContact N-O 3.47Å; K176-V178 HydrophobicContact CG-CG1 3.97Å; V178-V191 HydrophobicContact CB-CG2 4.35Å; V178-V191 HydrophobicContact CG2-CB 4.18Å; V178-V191 HydrophobicContact CG2-CG1 4.11Å; V178-V191 HydrophobicContact CG2-CG2 3.69Å; V178-E194 HydrophobicContact CG1-CB 4.4Å; V178-E194 HydrophobicContact CG1-CG 4.05Å
179E98.8Very high97.2Very high30 Ų3052.3 Ų52.314%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-122.2142.6175.4-64.8174.8179.500109.7L107 G137 L140 R143 H162 Y177L107-E179 HydrophobicContact CD1-CB 4.4Å; L107-E179 HydrophobicContact CD1-CG 4.3Å; G137-E179 CarbonylContact O-C 3.45Å; G137-E179 VanDerWaalsContact O-CA 3.25Å; G137-E179 WeakPolarHBondContact O-CA 3.42Å; L140-E179 HydrophobicContact CD1-CB 4.42Å; L140-E179 WeakPolarHBondContact CD1-OE2 3.5Å; L140-E179 HydrophobicContact CD2-CB 4.27Å; R143-E179 IonicContact CZ-OE1 2.65Å; R143-E179 IonicContact CZ-OE2 3.86Å; R143-E179 IonicContact NH1-OE1 2.77Å; R143-E179 PolarHBondContact NH1-OE1 3.1Å; R143-E179 IonicContact NH1-OE2 3.13Å; R143-E179 PolarHBondContact NH1-OE2 3.07Å; R143-E179 IonicContact NH2-OE1 3.71Å; R143-E179 PolarHBondContact NH2-OE1 2.88Å; R143-E179 IonicContact NH2-OE2 2.78Å; R143-E179 PolarHBondContact NH2-OE2 2.85Å; H162-E179 WeakPolarHBondContact CA-OE1 3.22Å; H162-E179 IonicContact CE1-OE1 3.61Å; H162-E179 IonicContact CG-OE1 2.73Å; H162-E179 VanDerWaalsContact ND1-CD 3.34Å; H162-E179 IonicContact ND1-OE1 2.75Å; H162-E179 PolarHBondContact ND1-OE1 2.78Å; H162-E179 IonicContact ND1-OE2 3.77Å; Y177-E179 HydrophobicContact CE1-CG 3.91Å; Y177-E179 WeakPolarHBondContact CE1-OE1 3.29Å; Y177-E179 HydrophobicContact CE2-CG 4.19Å; Y177-E179 VanDerWaalsContact OH-CG 3.3Å; Y177-E179 WeakPolarHBondContact OH-CG 3.14Å; Y177-E179 PolarHBondContact OH-OE1 2.83Å
180C98.7Very high97.1Very high1 Ų155.4 Ų55.41%0.00729%0.286CS..  trans-148.2158.5179.465.50000113G137 T138 K139 L140 K186 V188 V191G137-C180 PolarHBondContact O-N 3.44Å; T138-C180 CarbonylContact C-O 3.58Å; T138-C180 WeakPolarHBondContact CA-O 3.14Å; K139-C180 PolarHBondContact N-O 3.36Å; K139-C180 VanDerWaalsContact N-O 3.1Å; L140-C180 WeakPolarHBondContact CB-O 3.39Å; L140-C180 PolarHBondContact N-O 3Å; C180-K186 CarbonylContact C-O 3.53Å; C180-K186 WeakPolarHBondContact CA-O 3.39Å; C180-K186 WeakPolarHBondContact CB-O 3.49Å; C180-V188 HydrophobicContact CB-CG2 4.34Å; C180-V191 HydrophobicContact CB-CG2 3.84Å
181S98.2Very high97.2Very high0 Ų046.5 Ų46.50%025%0.247CC..  trans-121.2111.9166.3167.50000107.8D141 L183 T184 Q185 K186 V188D141-S181 WeakPolarHBondContact CB-OG 3.29Å; D141-S181 WeakPolarHBondContact OD1-CB 3.23Å; D141-S181 PolarHBondContact OD1-OG 3.44Å; S181-L183 PolarHBondContact O-N 2.87Å; S181-L183 PolarHBondContact OG-N 3.13Å; S181-T184 WeakPolarHBondContact CB-OG1 3.42Å; S181-T184 PolarHBondContact OG-N 3.1Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; S181-Q185 CarbonylContact O-C 3.5Å; S181-Q185 VanDerWaalsContact O-CA 3.31Å; S181-Q185 WeakPolarHBondContact O-CA 2.81Å; S181-Q185 PolarHBondContact O-N 2.81Å; S181-K186 PolarHBondContact N-O 3.02Å; S181-K186 PolarHBondContact O-N 3.03Å; S181-V188 WeakPolarHBondContact O-CG2 3.4Å
182A95.2Very high97.2Very high11 Ų1141.5 Ų41.59%0.09122%0.224CC..THydrogen-bonded Turntrans-63.8-32.4172.700000111.2C18 S22 F28C18-A182 HydrophobicContact CB-CB 4.12Å; S22-A182 PolarHBondContact OG-O 2.98Å; S22-A182 VanDerWaalsContact OG-O 3.11Å; F28-A182 VanDerWaalsContact CD2-C 3.4Å; F28-A182 HydrophobicContact CD2-CB 3.93Å; F28-A182 WeakPolarHBondContact CD2-O 3.29Å; F28-A182 HydrophobicContact CE2-CB 3.81Å
183L93.6Very high97.1Very high96 Ų9642.1 Ų42.150%0.50323%0.227SC..THydrogen-bonded Turntrans-65.1-47.7179.2179.363000112.1F28 S181F28-L183 HydrophobicContact CB-CD1 4.4Å; F28-L183 HydrophobicContact CD1-CD1 3.69Å; F28-L183 VanDerWaalsContact CD2-CA 3.44Å; F28-L183 HydrophobicContact CD2-CB 4.13Å; F28-L183 HydrophobicContact CD2-CD1 4.4Å; F28-L183 HydrophobicContact CE1-CD1 4Å; F28-L183 HydrophobicContact CE2-CB 4.06Å; F28-L183 HydrophobicContact CG-CB 4.46Å; F28-L183 HydrophobicContact CG-CD1 3.9Å; F28-L183 HydrophobicContact CZ-CB 4.37Å; F28-L183 HydrophobicContact CZ-CD1 4.45Å; S181-L183 PolarHBondContact O-N 2.87Å; S181-L183 PolarHBondContact OG-N 3.13Å
184T94.9Very high97.2Very high81 Ų8141.7 Ų41.750%0.49722%0.215SC..THydrogen-bonded Turntrans-95.21.8-176.765.50000113.4D141 S181 K186D141-T184 HydrophobicContact CB-CG2 3.91Å; S181-T184 WeakPolarHBondContact CB-OG1 3.42Å; S181-T184 PolarHBondContact OG-N 3.1Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; T184-K186 PolarHBondContact O-N 3.43Å; T184-K186 WeakPolarHBondContact OG1-CB 3.48Å
185Q94.4Very high97.3Very high62 Ų6240.8 Ų40.829%0.2921%0.209SC..  trans61-1.8-171-67.5-73.4-16.900115.3S22 S181 G187 V188S22-Q185 PolarHBondContact O-NE2 3.23Å; S22-Q185 PolarHBondContact OG-NE2 3.42Å; S22-Q185 PolarHBondContact OG-OE1 2.69Å; S181-Q185 CarbonylContact O-C 3.5Å; S181-Q185 VanDerWaalsContact O-CA 3.31Å; S181-Q185 WeakPolarHBondContact O-CA 2.81Å; S181-Q185 PolarHBondContact O-N 2.81Å; Q185-G187 PolarHBondContact O-N 3.31Å; Q185-V188 PolarHBondContact O-N 2.78Å
186K97.9Very high97.3Very high138 Ų13838.1 Ų38.160%0.619%0.193SC*.THydrogen-bonded Turntrans-61.5121.4-179.1-173.7175179.4179.70110.4L140 C180 S181 T184 V188L140-K186 HydrophobicContact CD2-CD 3.94Å; L140-K186 HydrophobicContact CD2-CG 4.27Å; C180-K186 CarbonylContact C-O 3.53Å; C180-K186 WeakPolarHBondContact CA-O 3.39Å; C180-K186 WeakPolarHBondContact CB-O 3.49Å; S181-K186 PolarHBondContact N-O 3.02Å; S181-K186 PolarHBondContact O-N 3.03Å; T184-K186 PolarHBondContact O-N 3.43Å; T184-K186 WeakPolarHBondContact OG1-CB 3.48Å; K186-V188 PolarHBondContact O-N 3.4Å
187G98Very high97.3Very high27 Ų2736.9 Ų36.928%0.27819%0.185SC..THydrogen-bonded Turntrans77.6-6.8175.500000115.8Q185 N190 V191Q185-G187 PolarHBondContact O-N 3.31Å; G187-N190 WeakPolarHBondContact O-CB 3.49Å; G187-N190 PolarHBondContact O-N 3.22Å; G187-N190 VanDerWaalsContact O-N 3.15Å; G187-V191 WeakPolarHBondContact O-CG2 3.22Å; G187-V191 PolarHBondContact O-N 3.41Å; G187-V191 VanDerWaalsContact O-N 3.13Å
188V97.6Very high97.2Very high1 Ų136.8 Ų36.81%0.00619%0.188CC..Hα-helixtrans-58.4-54.3-175.5172.50000111.5L19 Y23 C180 S181 Q185 K186 N190 V191 F192L19-V188 HydrophobicContact CD1-CB 4.45Å; L19-V188 HydrophobicContact CD1-CG1 4.03Å; L19-V188 HydrophobicContact CD1-CG2 4.15Å; Y23-V188 HydrophobicContact CD2-CG1 4.33Å; C180-V188 HydrophobicContact CB-CG2 4.34Å; S181-V188 WeakPolarHBondContact O-CG2 3.4Å; Q185-V188 PolarHBondContact O-N 2.78Å; K186-V188 PolarHBondContact O-N 3.4Å; V188-N190 VanDerWaalsContact C-N 3.25Å; V188-N190 PolarHBondContact O-N 2.85Å; V188-V191 WeakPolarHBondContact O-CB 3.43Å; V188-V191 PolarHBondContact O-N 3.19Å; V188-V191 VanDerWaalsContact O-N 3.11Å; V188-F192 HydrophobicContact CG1-CE2 4.2Å; V188-F192 VanDerWaalsContact O-CD2 3.28Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å
189K96.2Very high97.2Very high121 Ų12137.9 Ų37.953%0.52620%0.195SC..Hα-helixtrans-56-40.9176.4-172.3-171.6-174.6-540112.3V191 F192 D193K189-V191 VanDerWaalsContact C-N 3.27Å; K189-V191 PolarHBondContact O-N 2.92Å; K189-F192 PolarHBondContact O-N 3.38Å; K189-D193 IonicContact NZ-OD1 2.7Å; K189-D193 PolarHBondContact NZ-OD1 2.88Å; K189-D193 IonicContact NZ-OD2 2.93Å; K189-D193 PolarHBondContact NZ-OD2 2.88Å; K189-D193 PolarHBondContact O-N 3.38Å
190N97.9Very high97Very high72 Ų7237.4 Ų37.439%0.38519%0.193SC..Hα-helixtrans-62.7-33.7-179-173.964.7000112.2G187 V188 F192 E194G187-N190 WeakPolarHBondContact O-CB 3.49Å; G187-N190 PolarHBondContact O-N 3.22Å; G187-N190 VanDerWaalsContact O-N 3.15Å; V188-N190 VanDerWaalsContact C-N 3.25Å; V188-N190 PolarHBondContact O-N 2.85Å; N190-F192 VanDerWaalsContact C-N 3.35Å; N190-F192 PolarHBondContact O-N 2.85Å; N190-E194 WeakPolarHBondContact O-CB 3.25Å; N190-E194 VanDerWaalsContact O-CG 3.27Å; N190-E194 WeakPolarHBondContact O-CG 3.37Å; N190-E194 PolarHBondContact O-N 2.62Å
191V98.5Very high96.8Very high0 Ų041.9 Ų41.90%021%0.21CC..Hα-helixtrans-57.7-48.6174.9-179.90000111.4L19 L102 V136 V178 C180 G187 V188 K189 A195L19-V191 HydrophobicContact CD2-CG1 4.42Å; L102-V191 HydrophobicContact CD1-CG1 3.77Å; L102-V191 HydrophobicContact CD2-CG1 4.14Å; V136-V191 HydrophobicContact CG1-CG1 4.19Å; V136-V191 HydrophobicContact CG1-CG2 4.14Å; V136-V191 HydrophobicContact CG2-CG1 3.75Å; V178-V191 HydrophobicContact CB-CG2 4.35Å; V178-V191 HydrophobicContact CG2-CB 4.18Å; V178-V191 HydrophobicContact CG2-CG1 4.11Å; V178-V191 HydrophobicContact CG2-CG2 3.69Å; C180-V191 HydrophobicContact CB-CG2 3.84Å; G187-V191 WeakPolarHBondContact O-CG2 3.22Å; G187-V191 PolarHBondContact O-N 3.41Å; G187-V191 VanDerWaalsContact O-N 3.13Å; V188-V191 WeakPolarHBondContact O-CB 3.43Å; V188-V191 PolarHBondContact O-N 3.19Å; V188-V191 VanDerWaalsContact O-N 3.11Å; K189-V191 VanDerWaalsContact C-N 3.27Å; K189-V191 PolarHBondContact O-N 2.92Å; V191-A195 WeakPolarHBondContact O-CB 3.28Å; V191-A195 PolarHBondContact O-N 3.05Å
192F97.8Very high96.2Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-79-33.2-175.9-61.8-78.8000112.7L19 L20 Y23 L76 L78 L102 V188 K189 N190 A195 I196L19-F192 HydrophobicContact CD1-CE2 3.97Å; L19-F192 HydrophobicContact CD1-CZ 4.36Å; L19-F192 HydrophobicContact CD2-CZ 4.42Å; L19-F192 HydrophobicContact CG-CE2 4.07Å; L19-F192 HydrophobicContact CG-CZ 3.95Å; L20-F192 HydrophobicContact CD2-CE1 3.82Å; L20-F192 HydrophobicContact CD2-CZ 3.79Å; Y23-F192 HydrophobicContact CD1-CD1 4.12Å; Y23-F192 AromaticContact CD1-CD2 3.73Å; Y23-F192 HydrophobicContact CD1-CD2 3.73Å; Y23-F192 HydrophobicContact CD1-CE1 4.18Å; Y23-F192 AromaticContact CD1-CE2 3.84Å; Y23-F192 HydrophobicContact CD1-CE2 3.84Å; Y23-F192 AromaticContact CD1-CG 3.87Å; Y23-F192 HydrophobicContact CD1-CG 3.87Å; Y23-F192 HydrophobicContact CD1-CZ 4.03Å; Y23-F192 HydrophobicContact CD2-CB 4.22Å; Y23-F192 AromaticContact CD2-CD2 3.23Å; Y23-F192 HydrophobicContact CD2-CD2 3.23Å; Y23-F192 AromaticContact CD2-CE2 3.78Å; Y23-F192 HydrophobicContact CD2-CE2 3.78Å; Y23-F192 AromaticContact CD2-CG 3.87Å; Y23-F192 HydrophobicContact CD2-CG 3.87Å; Y23-F192 HydrophobicContact CE1-CB 4.1Å; Y23-F192 HydrophobicContact CE1-CD1 4.09Å; Y23-F192 HydrophobicContact CE1-CD2 4.08Å; Y23-F192 AromaticContact CE1-CG 3.8Å; Y23-F192 HydrophobicContact CE1-CG 3.8Å; Y23-F192 HydrophobicContact CE2-CB 3.65Å; Y23-F192 AromaticContact CE2-CD2 3.61Å; Y23-F192 HydrophobicContact CE2-CD2 3.61Å; Y23-F192 AromaticContact CE2-CG 3.78Å; Y23-F192 HydrophobicContact CE2-CG 3.78Å; Y23-F192 HydrophobicContact CG-CD1 4.49Å; Y23-F192 AromaticContact CG-CD2 3.28Å; Y23-F192 HydrophobicContact CG-CD2 3.28Å; Y23-F192 AromaticContact CG-CE2 3.36Å; Y23-F192 HydrophobicContact CG-CE2 3.36Å; Y23-F192 AromaticContact CG-CG 3.89Å; Y23-F192 HydrophobicContact CG-CG 3.89Å; Y23-F192 AromaticContact CG-CZ 3.99Å; Y23-F192 HydrophobicContact CG-CZ 3.99Å; Y23-F192 AromaticContact CZ-CG 3.73Å; L76-F192 HydrophobicContact CD2-CB 4.19Å; L76-F192 HydrophobicContact CD2-CD1 3.87Å; L76-F192 HydrophobicContact CD2-CG 4.4Å; L78-F192 HydrophobicContact CD1-CE1 4.48Å; L78-F192 HydrophobicContact CD2-CD1 3.82Å; L78-F192 HydrophobicContact CD2-CE1 3.51Å; L102-F192 HydrophobicContact CD1-CD1 4.46Å; L102-F192 HydrophobicContact CD1-CE1 3.97Å; L102-F192 HydrophobicContact CD1-CZ 4.47Å; V188-F192 HydrophobicContact CG1-CE2 4.2Å; V188-F192 VanDerWaalsContact O-CD2 3.28Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; K189-F192 PolarHBondContact O-N 3.38Å; N190-F192 VanDerWaalsContact C-N 3.35Å; N190-F192 PolarHBondContact O-N 2.85Å; F192-A195 PolarHBondContact O-N 3.15Å; F192-I196 WeakPolarHBondContact O-CB 2.96Å; F192-I196 VanDerWaalsContact O-CG1 3.31Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 2.92Å
193D97.3Very high95.4Very high17 Ų1750.7 Ų50.79%0.09127%0.265CS..Hα-helixtrans-59.6-46.7170.4-75.2-0.6000110.8K189 I196 R197K189-D193 IonicContact NZ-OD1 2.7Å; K189-D193 PolarHBondContact NZ-OD1 2.88Å; K189-D193 IonicContact NZ-OD2 2.93Å; K189-D193 PolarHBondContact NZ-OD2 2.88Å; K189-D193 PolarHBondContact O-N 3.38Å; D193-I196 PolarHBondContact O-N 3.34Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 VanDerWaalsContact O-CG 3.32Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.21Å
194E98.2Very high94Very high27 Ų2750 Ų5013%0.12627%0.267CS..Hα-helixtrans-67.2-36.1178.3-68.7-64.2112.300112.3K176 V178 N190 R197 A198K176-E194 WeakPolarHBondContact CD-OE2 3.41Å; K176-E194 VanDerWaalsContact CE-OE2 3.24Å; K176-E194 WeakPolarHBondContact CE-OE2 3.33Å; K176-E194 HydrophobicContact CG-CB 4.45Å; K176-E194 HydrophobicContact CG-CG 4.24Å; K176-E194 WeakPolarHBondContact CG-OE2 3.19Å; K176-E194 IonicContact NZ-OE2 3.52Å; K176-E194 PolarHBondContact NZ-OE2 2.69Å; V178-E194 HydrophobicContact CG1-CB 4.4Å; V178-E194 HydrophobicContact CG1-CG 4.05Å; N190-E194 WeakPolarHBondContact O-CB 3.25Å; N190-E194 VanDerWaalsContact O-CG 3.27Å; N190-E194 WeakPolarHBondContact O-CG 3.37Å; N190-E194 PolarHBondContact O-N 2.62Å; E194-R197 PolarHBondContact O-N 3.48Å; E194-R197 IonicContact OE1-CZ 3.42Å; E194-R197 IonicContact OE1-NH1 2.72Å; E194-R197 PolarHBondContact OE1-NH1 3.28Å; E194-A198 WeakPolarHBondContact O-CB 3.44Å; E194-A198 PolarHBondContact O-N 2.98Å
195A98Very high92.3Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-63.2-43.5173.600000112V100 L102 I134 V191 F192 A198V100-A195 HydrophobicContact CG1-CB 4.14Å; V100-A195 HydrophobicContact CG2-CB 4.15Å; L102-A195 HydrophobicContact CD2-CB 3.92Å; I134-A195 HydrophobicContact CG1-CB 4.22Å; V191-A195 WeakPolarHBondContact O-CB 3.28Å; V191-A195 PolarHBondContact O-N 3.05Å; F192-A195 PolarHBondContact O-N 3.15Å; A195-A198 WeakPolarHBondContact O-CB 3.31Å; A195-A198 PolarHBondContact O-N 3.31Å
196I97.7Very high90Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-64.8-46.4175-72.9166.5000110.6I4 V67 V69 I74 L76 F192 D193 A198 V199 L200I4-I196 HydrophobicContact CD1-CB 4.46Å; I4-I196 HydrophobicContact CD1-CG1 4.33Å; I4-I196 HydrophobicContact CD1-CG2 4.08Å; V67-I196 HydrophobicContact CG2-CD1 3.55Å; V69-I196 HydrophobicContact CB-CB 4.45Å; V69-I196 HydrophobicContact CB-CG2 3.7Å; V69-I196 HydrophobicContact CG1-CB 4.37Å; V69-I196 HydrophobicContact CG1-CG2 3.81Å; V69-I196 HydrophobicContact CG2-CB 4.14Å; V69-I196 HydrophobicContact CG2-CD1 3.58Å; V69-I196 HydrophobicContact CG2-CG1 4.46Å; V69-I196 HydrophobicContact CG2-CG2 3.83Å; I74-I196 HydrophobicContact CB-CD1 4.48Å; I74-I196 HydrophobicContact CG1-CG2 3.92Å; I74-I196 HydrophobicContact CG2-CD1 4.14Å; I74-I196 HydrophobicContact CG2-CG1 4.26Å; I74-I196 HydrophobicContact CG2-CG2 4.45Å; L76-I196 HydrophobicContact CB-CD1 4.49Å; L76-I196 HydrophobicContact CD1-CD1 4.48Å; L76-I196 HydrophobicContact CD1-CG1 4.08Å; L76-I196 HydrophobicContact CD2-CD1 4.12Å; L76-I196 HydrophobicContact CD2-CG1 4.42Å; F192-I196 WeakPolarHBondContact O-CB 2.96Å; F192-I196 VanDerWaalsContact O-CG1 3.31Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 2.92Å; D193-I196 PolarHBondContact O-N 3.34Å; I196-A198 VanDerWaalsContact C-N 3.27Å; I196-A198 PolarHBondContact O-N 2.96Å; I196-V199 PolarHBondContact O-N 3.41Å; I196-V199 VanDerWaalsContact O-N 3.08Å; I196-L200 HydrophobicContact CG2-CD1 3.52Å; I196-L200 HydrophobicContact CG2-CG 4Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.33Å
197R97.7Very high87.5Confident68 Ų6857.5 Ų57.526%0.25729%0.29SS..Hα-helixtrans-59.2-37.1177.5-75.8-179.2-170.3115.611.9112.6V69 D70 D193 E194 V199 L200 Y201V69-R197 HydrophobicContact CG1-CG 4.03Å; D70-R197 IonicContact OD1-CZ 2.71Å; D70-R197 IonicContact OD1-NE 3.25Å; D70-R197 PolarHBondContact OD1-NE 3.22Å; D70-R197 IonicContact OD1-NH2 3.03Å; D70-R197 PolarHBondContact OD1-NH2 2.78Å; D70-R197 WeakPolarHBondContact OD2-CG 3.39Å; D70-R197 IonicContact OD2-NE 3.1Å; D70-R197 PolarHBondContact OD2-NE 3.45Å; D70-R197 VanDerWaalsContact OD2-NE 3.1Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 VanDerWaalsContact O-CG 3.32Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.21Å; E194-R197 PolarHBondContact O-N 3.48Å; E194-R197 IonicContact OE1-CZ 3.42Å; E194-R197 IonicContact OE1-NH1 2.72Å; E194-R197 PolarHBondContact OE1-NH1 3.28Å; R197-V199 PolarHBondContact O-N 2.96Å; R197-L200 PolarHBondContact O-N 2.86Å; R197-Y201 HydrophobicContact CB-CD2 4.28Å; R197-Y201 HydrophobicContact CG-CD2 4.34Å; R197-Y201 HydrophobicContact CG-CE2 4.42Å; R197-Y201 PolarHBondContact O-N 3.31Å
198A97Very high85Confident14 Ų1466.2 Ų66.212%0.11632%0.321CS..Hα-helixtrans-59.7-31.9176.600000113.3P132 I134 V175 E194 A195 I196P132-A198 HydrophobicContact CB-CB 4.02Å; P132-A198 HydrophobicContact CG-CB 4.31Å; I134-A198 HydrophobicContact CD1-CB 4.16Å; V175-A198 HydrophobicContact CG2-CB 3.66Å; E194-A198 WeakPolarHBondContact O-CB 3.44Å; E194-A198 PolarHBondContact O-N 2.98Å; A195-A198 WeakPolarHBondContact O-CB 3.31Å; A195-A198 PolarHBondContact O-N 3.31Å; I196-A198 VanDerWaalsContact C-N 3.27Å; I196-A198 PolarHBondContact O-N 2.96Å
199V96.8Very high82.3Confident29 Ų2974.2 Ų74.218%0.17636%0.358CS..Hα-helixtrans-84.5-41.8176.3-179.30000111.3I4 D99 V100 P132 I196 R197I4-V199 HydrophobicContact CD1-CB 3.95Å; I4-V199 HydrophobicContact CD1-CG1 3.94Å; I4-V199 HydrophobicContact CD1-CG2 4.49Å; I4-V199 HydrophobicContact CG1-CG1 4.15Å; I4-V199 HydrophobicContact CG2-CB 4.49Å; I4-V199 HydrophobicContact CG2-CG2 3.98Å; D99-V199 HydrophobicContact CB-CG1 4.16Å; D99-V199 HydrophobicContact CB-CG2 3.94Å; D99-V199 WeakPolarHBondContact O-CG2 3.18Å; V100-V199 HydrophobicContact CB-CG2 3.77Å; V100-V199 HydrophobicContact CG1-CG2 4.02Å; P132-V199 HydrophobicContact CG-CG2 4.46Å; I196-V199 PolarHBondContact O-N 3.41Å; I196-V199 VanDerWaalsContact O-N 3.08Å; R197-V199 PolarHBondContact O-N 2.96Å
200L95Very high79.6Confident21 Ų2180.3 Ų80.311%0.1138%0.378CS..Hα-helixtrans-70.8-31.8-177.9-67.3179.4000113.5I4 K72 I74 I196 R197I4-L200 HydrophobicContact CD1-CD2 4.48Å; K72-L200 HydrophobicContact CD-CD1 4.13Å; K72-L200 HydrophobicContact CD-CD2 4.35Å; I74-L200 HydrophobicContact CD1-CD1 4.18Å; I74-L200 HydrophobicContact CD1-CD2 3.96Å; I74-L200 HydrophobicContact CG1-CD1 4.49Å; I196-L200 HydrophobicContact CG2-CD1 3.52Å; I196-L200 HydrophobicContact CG2-CG 4Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.33Å; R197-L200 PolarHBondContact O-N 2.86Å
201Y94.4Very high76.8Confident94 Ų9484.2 Ų84.237%0.36940%0.399SS..SBendtrans-130.566.8-174.5-51.1-65.3000110.5D70 K72 R197 V203D70-Y201 WeakPolarHBondContact OD2-CE2 3.45Å; K72-Y201 PolarHBondContact NZ-OH 3.07Å; R197-Y201 HydrophobicContact CB-CD2 4.28Å; R197-Y201 HydrophobicContact CG-CD2 4.34Å; R197-Y201 HydrophobicContact CG-CE2 4.42Å; R197-Y201 PolarHBondContact O-N 3.31Å; Y201-V203 PolarHBondContact O-N 3.01Å; Y201-V203 VanDerWaalsContact O-N 3.16Å
202P86.8Confident74.1Confident92 Ų9287.7 Ų87.760%0.59742%0.422SS*.  trans-60.8122.5-17725-33.6000110.5
203V78Confident72.1Confident104 Ų10497.1 Ų97.163%0.6346%0.463SS*.  trans-74130.3175.3-175.60000108.8Y201 R205Y201-V203 PolarHBondContact O-N 3.01Å; Y201-V203 VanDerWaalsContact O-N 3.16Å; V203-R205 PolarHBondContact O-N 3.29Å
204C63.2Low70Confident83 Ų83105.7 Ų105.756%0.56150%0.5SS*.  trans-66.3103.1175.8-1610000109.9K206C204-K206 PolarHBondContact O-N 3.34Å; C204-K206 WeakPolarHBondContact SG-CD 3.29Å; C204-K206 WeakPolarHBondContact SG-CE 3.48Å; C204-K206 VanDerWaalsContact SG-CG 3.52Å
205R59Low67.5Low142 Ų142107.4 Ų107.454%0.53651%0.514SS..  trans-7061.1177.3-69.7-175.5169.8172.6-4.2111.9G173 V203 H207G173-R205 PolarHBondContact O-NH2 2.94Å; V203-R205 PolarHBondContact O-N 3.29Å; R205-H207 PolarHBondContact O-N 3.01Å
206K46.5Very low65Low130 Ų130115.8 Ų115.857%0.56555%0.553SS**  trans-91.929.1-174.2-91.5-175.3-176.2-1740115.5C204 C215C204-K206 PolarHBondContact O-N 3.34Å; C204-K206 WeakPolarHBondContact SG-CD 3.29Å; C204-K206 WeakPolarHBondContact SG-CE 3.48Å; C204-K206 VanDerWaalsContact SG-CG 3.52Å; K206-C215 PolarHBondContact NZ-SG 2.65Å
207H45.3Very low62.6Low166 Ų166122.3 Ų122.377%0.76959%0.588SS**SBendtrans-125.914.1-171.9-100.2-44.3000119.6R205R205-H207 PolarHBondContact O-N 3.01Å
208F46.7Very low60.4Low210 Ų210130.2 Ų130.292%0.92162%0.618SS**SBendtrans-121-2.3171-93.4-86.2000117
209E40Very low58Low168 Ų168134.3 Ų134.379%0.78565%0.646SS**  trans-113.8103.3170.5-73.2-178173.300110.9N211E209-N211 PolarHBondContact O-N 3.42Å
210R39.3Very low55.7Low250 Ų250136.3 Ų136.394%0.94367%0.665SS**THydrogen-bonded Turntrans-67.212.5179.5-86.6-177.6171175-2.4115.4
211N40.6Very low53.3Low154 Ų154145.1 Ų145.182%0.82470%0.697SS**THydrogen-bonded Turntrans-134.714.1-172.1-82.1-25.9000117.4E209 K213E209-N211 PolarHBondContact O-N 3.42Å; N211-K213 PolarHBondContact O-N 3.03Å; N211-K213 VanDerWaalsContact O-N 3.09Å
212C40.9Very low51Low73 Ų73151.5 Ų151.549%0.49372%0.721SS.*  trans-80.796.2178.1-164.90000113.1K214C212-K214 PolarHBondContact O-N 3.03Å; C212-K214 VanDerWaalsContact O-N 3.13Å
213K54.7Low49Very low197 Ų197158 Ų15886%0.85773%0.733SS**THydrogen-bonded Turntrans-64.2-5.2174.1-68.5-170.5177.2-176.90115.3N211 C215N211-K213 PolarHBondContact O-N 3.03Å; N211-K213 VanDerWaalsContact O-N 3.09Å; K213-C215 VanDerWaalsContact C-N 3.28Å; K213-C215 PolarHBondContact O-N 2.94Å
214K55.2Low47.4Very low197 Ų197159.8 Ų159.886%0.85773%0.733SS**THydrogen-bonded Turntrans-84.815.1-173.9-72.4-175.2174.2179.30115.1C212C212-K214 PolarHBondContact O-N 3.03Å; C212-K214 VanDerWaalsContact O-N 3.13Å
215C45Very low46.3Very low64 Ų64161.3 Ų161.343%0.43274%0.743SS.*  trans-11448.4-171.4-500000113K206 K213K206-C215 PolarHBondContact NZ-SG 2.65Å; K213-C215 VanDerWaalsContact C-N 3.28Å; K213-C215 PolarHBondContact O-N 2.94Å
216E46.3Very low45.1Very low175 Ų175163.6 Ų163.682%0.81876%0.757SS**  trans-89.3-2.8-176.9-77.6-175.5154.900115.7R218E216-R218 PolarHBondContact O-N 2.89Å
217N46.5Very low44.5Very low137 Ų137168.7 Ų168.773%0.73379%0.789SS**  trans-8794.6176.5-89.7-20.9000113.2S219N217-S219 PolarHBondContact O-N 3.22Å
218R50.9Low44.5Very low235 Ų235168.9 Ų168.989%0.88779%0.79SS**G310 helixtrans-59.2-18.7176.5-74.4-178178.2-169.2-0.3114.7E216E216-R218 PolarHBondContact O-N 2.89Å
219S48Very low44.4Very low100 Ų100166.7 Ų166.770%0.69978%0.783SS**G310 helixtrans-76.7-20.3-175.440.70000114.9N217N217-S219 PolarHBondContact O-N 3.22Å
220A47.5Very low44.6Very low71 Ų71166.6 Ų166.659%0.58778%0.783SS**G310 helixtrans-83.5-16.5178.800000113.9R222A220-R222 VanDerWaalsContact C-N 3.33Å; A220-R222 PolarHBondContact O-N 3.17Å
221R45.5Very low44.9Very low206 Ų206161.7 Ų161.778%0.77777%0.774SS**THydrogen-bonded Turntrans-74.6-15.7-171-126.8177.3178.8-179.3-1.1114.7
222R45.7Very low45.2Very low228 Ų228162.2 Ų162.286%0.8677%0.771SS**THydrogen-bonded Turntrans-91.3-11.2-173.7-76.4-174.2177-176.2-0.7115.5A220A220-R222 VanDerWaalsContact C-N 3.33Å; A220-R222 PolarHBondContact O-N 3.17Å
223R44Very low45.5Very low227 Ų227168.1 Ų168.186%0.85779%0.789SS**SBendtrans-95.1-11.3-177.9-99.1-175.6-102.1-173.5-5.4115.2
224F45.4Very low44.8Very low143 Ų143166.1 Ų166.163%0.62778%0.784SS**SBendtrans-105.52.2-171.5-95-87.3000115.7
225C39.6Very low44Very low115 Ų115163.7 Ų163.778%0.77778%0.779SS**SBendtrans-12123.6-179.6-71.80000113.9
226K34.3Very low43.9Very low189 Ų189172 Ų17282%0.82281%0.807SS**  trans-136.119.7-175.8-81.8-162.2175.2-168.80116.2
227L33.7Very low43.7Very low238 Ų238171.7 Ų171.7100%1.24681%0.807SS**  trans-137.80166.6-71.4168.9000108.1

Retrieved 227 of 227 residues in 52.4 ms (Link to these results)

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