A0A068FHS2_ARATH Loading...

Glycosyltransferase

AlphaFold DB (Q9FI98), UniProt , Accession A0A068FHS2, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 451 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
1M41.5Very low83.3Confident239 Ų23971.8 Ų71.8100%1.17738%0.375SS*.  0110.30-69.8177.8-169.100106.7K3M1-K3 PolarHBondContact O-N 3.07Å
2E56.7Low84.6Confident131 Ų13165.8 Ų65.861%0.61234%0.343SS*.  trans-60.2136.7172.2-76.7174.3149.400108.8S4 H31E2-S4 PolarHBondContact O-N 3.4Å; E2-H31 IonicContact OE2-CE1 3.27Å; E2-H31 PolarHBondContact OE2-CE1 3.34Å; E2-H31 IonicContact OE2-ND1 2.87Å; E2-H31 IonicContact OE2-NE2 3.76Å
3K67Low85.5Confident193 Ų19361.1 Ų61.184%0.83932%0.319SS*.  trans-67.696.5178.1-74.8-178.4176.9179.50108M1 G34M1-K3 PolarHBondContact O-N 3.07Å; K3-G34 WeakPolarHBondContact O-CA 3.44Å
4S84.2Confident86.3Confident82 Ų8257.3 Ų57.357%0.57330%0.299SS*.  trans-67.4136.5166.6-177.90000109.2E2 G6 G34E2-S4 PolarHBondContact O-N 3.4Å; S4-G6 VanDerWaalsContact C-N 3.33Å; S4-G6 PolarHBondContact OG-N 2.88Å; S4-G34 WeakPolarHBondContact CA-O 3.38Å
5N88.3Confident87Confident57 Ų5753.7 Ų53.731%0.30528%0.281SS..  trans-91.83172.365.510.9000112.5L7 G34 F35N5-L7 PolarHBondContact O-N 3.1Å; N5-L7 WeakPolarHBondContact OD1-CA 3.46Å; N5-L7 VanDerWaalsContact OD1-CB 3.29Å; N5-L7 WeakPolarHBondContact OD1-CB 3.35Å; N5-L7 PolarHBondContact OD1-N 3.22Å; N5-L7 PolarHBondContact OD1-O 2.92Å; N5-G34 PolarHBondContact N-O 3.31Å; N5-G34 PolarHBondContact OD1-O 3.21Å; N5-F35 WeakPolarHBondContact ND2-CD1 3.4Å; N5-F35 VanDerWaalsContact ND2-CE1 3.29Å; N5-F35 WeakPolarHBondContact ND2-CE1 3.43Å; N5-F35 WeakPolarHBondContact ND2-CZ 3.42Å
6G90.6Very high87.5Confident39 Ų3951.1 Ų51.140%0.40227%0.267SS..SBendtrans72.63-177.200000115.1S4S4-G6 VanDerWaalsContact C-N 3.33Å; S4-G6 PolarHBondContact OG-N 2.88Å
7L95.5Very high87.8Confident19 Ų1948.9 Ų48.910%0.09926%0.255CS..EExtended strand (participates in β ladder)trans-102.3136.6-178.9-54.8177.4000110.7N5 F35 S36 R106N5-L7 PolarHBondContact O-N 3.1Å; N5-L7 WeakPolarHBondContact OD1-CA 3.46Å; N5-L7 VanDerWaalsContact OD1-CB 3.29Å; N5-L7 WeakPolarHBondContact OD1-CB 3.35Å; N5-L7 PolarHBondContact OD1-N 3.22Å; N5-L7 PolarHBondContact OD1-O 2.92Å; L7-F35 HydrophobicContact CB-CD1 3.7Å; L7-F35 HydrophobicContact CB-CE1 3.78Å; L7-F35 HydrophobicContact CD1-CE1 3.79Å; L7-F35 HydrophobicContact CG-CE1 4.43Å; L7-F35 WeakPolarHBondContact O-CA 3.44Å; L7-S36 PolarHBondContact O-N 3.4Å; L7-R106 HydrophobicContact CD2-CB 3.99Å; L7-R106 HydrophobicContact CD2-CG 4.19Å
8R97.1Very high88Confident30 Ų3047.5 Ų47.511%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-105.4137.1173.9-166.2-178.2-70.8-178.60.5110.1S36 E103 Q105 R106 I107 S108R8-S36 CarbonylContact C-O 3.53Å; R8-S36 VanDerWaalsContact CA-O 3.28Å; R8-S36 WeakPolarHBondContact CA-O 3.42Å; R8-E103 IonicContact NH2-OE2 3Å; R8-E103 PolarHBondContact NH2-OE2 3.23Å; R8-Q105 HydrophobicContact CB-CG 4.49Å; R8-R106 PolarHBondContact N-O 3.15Å; R8-I107 HydrophobicContact CB-CG1 4.33Å; R8-I107 WeakPolarHBondContact O-CA 3.45Å; R8-S108 PolarHBondContact O-N 2.83Å
9V98.2Very high88.4Confident0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-116.1133.2171.6179.70000108.9L11 L30 F35 S36 I37 T38 I111 I448V9-L11 HydrophobicContact CG1-CD2 3.73Å; V9-L11 HydrophobicContact CG1-CG 4.49Å; V9-L30 HydrophobicContact CB-CD1 4.43Å; V9-L30 HydrophobicContact CG1-CD1 4.03Å; V9-F35 HydrophobicContact CG2-CB 4.27Å; V9-F35 HydrophobicContact CG2-CD1 3.59Å; V9-F35 HydrophobicContact CG2-CE1 4.13Å; V9-F35 HydrophobicContact CG2-CG 4.03Å; V9-S36 PolarHBondContact N-O 2.96Å; V9-I37 HydrophobicContact CB-CD1 4.39Å; V9-T38 PolarHBondContact O-N 3.28Å; V9-I111 HydrophobicContact CG1-CD1 3.74Å; V9-I111 HydrophobicContact CG1-CG1 3.83Å; V9-I448 HydrophobicContact CG2-CG2 3.85Å
10I98.6Very high88.7Confident0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-97.3129.6174.2-56.8173.7000108.4T38 I40 L93 L96 I107 C109 L110 I111I10-T38 CarbonylContact C-O 3.53Å; I10-T38 WeakPolarHBondContact CA-O 3.37Å; I10-I40 HydrophobicContact CG2-CD1 3.62Å; I10-I40 HydrophobicContact CG2-CG1 3.91Å; I10-L93 HydrophobicContact CD1-CD2 3.57Å; I10-L93 HydrophobicContact CG2-CD2 4.2Å; I10-L96 HydrophobicContact CD1-CB 4.46Å; I10-L96 HydrophobicContact CD1-CD1 3.85Å; I10-L96 HydrophobicContact CG1-CD1 4.43Å; I10-I107 HydrophobicContact CD1-CD1 4.08Å; I10-I107 HydrophobicContact CD1-CG2 3.8Å; I10-I107 HydrophobicContact CG1-CG2 3.94Å; I10-C109 PolarHBondContact N-O 2.81Å; I10-L110 HydrophobicContact CB-CD1 4.06Å; I10-L110 HydrophobicContact CG2-CD1 3.71Å; I10-L110 CarbonylContact O-C 3.51Å; I10-L110 WeakPolarHBondContact O-CA 3.45Å; I10-I111 PolarHBondContact O-N 2.91Å
11L98.6Very high88.8Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-113.9138.6177.6-55-178.5000110.1V9 M23 A27 L30 I37 T38 V39 I40 I111V9-L11 HydrophobicContact CG1-CD2 3.73Å; V9-L11 HydrophobicContact CG1-CG 4.49Å; L11-M23 HydrophobicContact CB-CG 4.08Å; L11-M23 HydrophobicContact CB-SD 3.93Å; L11-M23 HydrophobicContact CD1-CG 4.48Å; L11-M23 HydrophobicContact CD1-SD 4.42Å; L11-M23 HydrophobicContact CD2-SD 4.14Å; L11-M23 HydrophobicContact CG-SD 4.39Å; L11-A27 HydrophobicContact CD1-CB 3.39Å; L11-L30 HydrophobicContact CD2-CD1 4.2Å; L11-I37 HydrophobicContact CD1-CG2 3.73Å; L11-I37 HydrophobicContact CG-CG2 4.18Å; L11-T38 PolarHBondContact N-O 2.96Å; L11-V39 HydrophobicContact CB-CG2 4.38Å; L11-V39 HydrophobicContact CD1-CG2 4.5Å; L11-V39 WeakPolarHBondContact O-CA 3.29Å; L11-I40 PolarHBondContact O-N 3.4Å; L11-I111 CarbonylContact C-O 3.15Å; L11-I111 VanDerWaalsContact CA-O 3.27Å; L11-I111 WeakPolarHBondContact CA-O 3.45Å; L11-I111 HydrophobicContact CD2-CB 3.64Å; L11-I111 HydrophobicContact CD2-CD1 3.95Å; L11-I111 HydrophobicContact CD2-CG1 4.03Å; L11-I111 HydrophobicContact CD2-CG2 4.38Å
12F98.4Very high91.2Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-138.889.3178.5-173.7-146.4000111.4I40 I60 V89 L110 I111 N112 D113 W116 F118 T119F12-I40 HydrophobicContact CD2-CB 4.01Å; F12-I40 HydrophobicContact CD2-CG2 3.91Å; F12-I40 WeakPolarHBondContact CD2-O 3.48Å; F12-I40 HydrophobicContact CE2-CG2 4.03Å; F12-I40 HydrophobicContact CG-CB 4.45Å; F12-I60 HydrophobicContact CE2-CD1 4.13Å; F12-I60 HydrophobicContact CZ-CD1 4.06Å; F12-V89 HydrophobicContact CE1-CG1 4.47Å; F12-V89 HydrophobicContact CE1-CG2 3.68Å; F12-V89 HydrophobicContact CE2-CG2 4.38Å; F12-V89 HydrophobicContact CZ-CG2 3.6Å; F12-L110 HydrophobicContact CB-CD1 4.19Å; F12-I111 PolarHBondContact N-O 3Å; F12-N112 HydrophobicContact CB-CB 4.01Å; F12-N112 HydrophobicContact CD1-CB 4.35Å; F12-N112 WeakPolarHBondContact O-CA 3.04Å; F12-D113 PolarHBondContact O-N 3.33Å; F12-W116 AromaticContact CD1-CD1 3.57Å; F12-W116 HydrophobicContact CD1-CD2 4.24Å; F12-W116 AromaticContact CD1-CG 3.92Å; F12-W116 HydrophobicContact CD1-CG 3.92Å; F12-W116 AromaticContact CD1-NE1 3.64Å; F12-W116 AromaticContact CD2-NE1 3.92Å; F12-W116 HydrophobicContact CE1-CB 4.43Å; F12-W116 AromaticContact CE1-CD1 3.69Å; F12-W116 AromaticContact CE1-CD2 3.55Å; F12-W116 HydrophobicContact CE1-CD2 3.55Å; F12-W116 AromaticContact CE1-CE2 3.43Å; F12-W116 VanDerWaalsContact CE1-CE2 3.43Å; F12-W116 HydrophobicContact CE1-CE3 4.18Å; F12-W116 AromaticContact CE1-CG 3.69Å; F12-W116 HydrophobicContact CE1-CG 3.69Å; F12-W116 HydrophobicContact CE1-CH2 4.48Å; F12-W116 AromaticContact CE1-CZ2 3.94Å; F12-W116 HydrophobicContact CE1-CZ2 3.94Å; F12-W116 AromaticContact CE1-NE1 3.52Å; F12-W116 AromaticContact CE2-CE2 3.82Å; F12-W116 AromaticContact CE2-CZ2 3.7Å; F12-W116 HydrophobicContact CE2-CZ2 3.7Å; F12-W116 AromaticContact CE2-NE1 3.83Å; F12-W116 AromaticContact CG-NE1 3.84Å; F12-W116 AromaticContact CZ-CD2 3.85Å; F12-W116 HydrophobicContact CZ-CD2 3.85Å; F12-W116 AromaticContact CZ-CE2 3.31Å; F12-W116 HydrophobicContact CZ-CE3 4.33Å; F12-W116 HydrophobicContact CZ-CG 4.4Å; F12-W116 AromaticContact CZ-CH2 3.84Å; F12-W116 HydrophobicContact CZ-CH2 3.84Å; F12-W116 AromaticContact CZ-CZ2 3.3Å; F12-W116 HydrophobicContact CZ-CZ2 3.3Å; F12-W116 HydrophobicContact CZ-CZ3 4.32Å; F12-W116 AromaticContact CZ-NE1 3.63Å; F12-F118 AromaticContact CE1-CZ 3.84Å; F12-F118 HydrophobicContact CE1-CZ 3.84Å; F12-F118 HydrophobicContact CZ-CZ 4.41Å; F12-T119 HydrophobicContact CD1-CG2 4.11Å; F12-T119 HydrophobicContact CE1-CG2 4.29Å
13P97.2Very high93Very high4 Ų424.7 Ų24.73%0.02614%0.142CC..  trans-71.3154.4177.628.6-31.5000111.5I20 M23 V39 I40 W116P13-I20 HydrophobicContact CB-CG1 4.28Å; P13-I20 HydrophobicContact CG-CG1 4.38Å; P13-M23 HydrophobicContact CB-CB 3.77Å; P13-M23 HydrophobicContact CB-CE 4.36Å; P13-M23 HydrophobicContact CB-CG 3.85Å; P13-M23 HydrophobicContact CG-CB 4.42Å; P13-M23 HydrophobicContact CG-CG 4.17Å; P13-V39 HydrophobicContact CG-CG1 4.5Å; P13-I40 WeakPolarHBondContact CD-O 3.41Å; P13-W116 VanDerWaalsContact C-NE1 3.29Å; P13-W116 PolarHBondContact O-NE1 3.28Å
14L96.5Very high94.3Very high8 Ų815.5 Ų15.54%0.04210%0.102CC..  trans-65.1144157.2-90.8177.9000109L16 C19 I78 D113 W116L14-L16 PolarHBondContact O-N 2.98Å; L14-C19 HydrophobicContact CB-CB 3.84Å; L14-C19 WeakPolarHBondContact O-CB 3.42Å; L14-I78 HydrophobicContact CD1-CD1 4.48Å; L14-D113 HydrophobicContact CB-CB 4.13Å; L14-D113 VanDerWaalsContact CD1-OD1 3.3Å; L14-D113 WeakPolarHBondContact CD1-OD1 3.44Å; L14-D113 HydrophobicContact CG-CB 3.95Å; L14-W116 HydrophobicContact CD2-CD2 3.98Å; L14-W116 HydrophobicContact CD2-CE3 4.36Å; L14-W116 HydrophobicContact CD2-CG 4.49Å; L14-W116 HydrophobicContact CD2-CH2 4.43Å; L14-W116 HydrophobicContact CD2-CZ2 4.03Å
15P96.4Very high94.6Very high3 Ų312.1 Ų12.12%0.0198%0.077CC..SBendtrans-81.552-175.235.3-36.9000112.4T42 F44 N45 L81P15-T42 WeakPolarHBondContact CB-OG1 3.28Å; P15-T42 HydrophobicContact CG-CG2 4.41Å; P15-F44 HydrophobicContact CB-CD1 3.89Å; P15-F44 HydrophobicContact CB-CE1 4.48Å; P15-F44 WeakPolarHBondContact CB-O 3.35Å; P15-F44 HydrophobicContact CG-CD1 3.85Å; P15-F44 HydrophobicContact CG-CE1 4.4Å; P15-N45 HydrophobicContact CB-CB 4.15Å; P15-N45 VanDerWaalsContact O-CB 3.28Å; P15-N45 WeakPolarHBondContact O-CB 3.42Å; P15-N45 PolarHBondContact O-ND2 3.11Å; P15-L81 HydrophobicContact CG-CD1 3.44Å; P15-L81 VanDerWaalsContact CG-CD1 3.44Å; P15-L81 HydrophobicContact CG-CD2 4.36Å
16L94.8Very high94.9Very high13 Ų139.4 Ų9.47%0.0686%0.063CC..SBendtrans-122.3140.1175.9-58.7177.4000108.2L14 G18 C19 I20 V74 L77 I78 L274L14-L16 PolarHBondContact O-N 2.98Å; L16-G18 PolarHBondContact O-N 2.95Å; L16-G18 VanDerWaalsContact O-N 3.13Å; L16-C19 HydrophobicContact CB-CB 4.41Å; L16-C19 WeakPolarHBondContact O-CA 3.42Å; L16-C19 WeakPolarHBondContact O-CB 3.37Å; L16-C19 PolarHBondContact O-N 2.85Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.37Å; L16-V74 HydrophobicContact CD1-CG1 4.02Å; L16-V74 HydrophobicContact CD2-CG1 4.34Å; L16-L77 HydrophobicContact CD2-CD2 4.39Å; L16-I78 HydrophobicContact CD1-CD1 4.29Å; L16-L274 HydrophobicContact CB-CD1 4.39Å; L16-L274 HydrophobicContact CD1-CD1 4.27Å; L16-L274 HydrophobicContact CD2-CD1 4.12Å; L16-L274 HydrophobicContact CD2-CD2 4.21Å
17Q92.8Very high95.1Very high13 Ų137.5 Ų7.56%0.0614%0.044CC..Hα-helixtrans-49.6-42.9179.717768.423.700112.4C19 N21 S246 L247 F248 S273 W331Q17-C19 PolarHBondContact O-N 3.37Å; Q17-N21 PolarHBondContact NE2-ND2 3.33Å; Q17-N21 PolarHBondContact NE2-OD1 3.11Å; Q17-N21 WeakPolarHBondContact O-CB 3.35Å; Q17-N21 PolarHBondContact O-N 3.48Å; Q17-S246 PolarHBondContact NE2-OG 2.84Å; Q17-L247 HydrophobicContact CB-CD1 4.09Å; Q17-L247 VanDerWaalsContact OE1-CB 3.29Å; Q17-L247 VanDerWaalsContact OE1-CG 3.29Å; Q17-F248 HydrophobicContact CG-CE2 4.46Å; Q17-S273 WeakPolarHBondContact CB-OG 3.21Å; Q17-W331 HydrophobicContact CG-CZ2 4.48Å
18G91.8Very high95Very high24 Ų248.1 Ų8.125%0.2475%0.046CC..Hα-helixtrans-66-16.6178.700000114.7L16 P22 N353L16-G18 PolarHBondContact O-N 2.95Å; L16-G18 VanDerWaalsContact O-N 3.13Å; G18-P22 WeakPolarHBondContact O-CD 3.4Å; G18-P22 WeakPolarHBondContact O-CG 3.45Å; G18-N353 WeakPolarHBondContact CA-ND2 3.44Å; G18-N353 PolarHBondContact O-ND2 3.23Å
19C94.6Very high94.7Very high10 Ų107.1 Ų7.17%0.0684%0.043CC..Hα-helixtrans-104.5-39179.9-59.50000112.5L14 L16 Q17 P22 M23 D113 T135L14-C19 HydrophobicContact CB-CB 3.84Å; L14-C19 WeakPolarHBondContact O-CB 3.42Å; L16-C19 HydrophobicContact CB-CB 4.41Å; L16-C19 WeakPolarHBondContact O-CA 3.42Å; L16-C19 WeakPolarHBondContact O-CB 3.37Å; L16-C19 PolarHBondContact O-N 2.85Å; Q17-C19 PolarHBondContact O-N 3.37Å; C19-P22 WeakPolarHBondContact O-CD 3.28Å; C19-M23 WeakPolarHBondContact O-CB 3.43Å; C19-M23 PolarHBondContact O-N 3.38Å; C19-D113 WeakPolarHBondContact CB-OD2 3.38Å; C19-D113 PolarHBondContact SG-OD2 2.88Å; C19-T135 HydrophobicContact CB-CG2 4.08Å
20I94.4Very high94.6Very high1 Ų17.1 Ų7.11%0.0054%0.043CC..Hα-helixtrans-63-48.1177.9-66.2170.1000110.5P13 L16 M23 I24 N45 P47 L247P13-I20 HydrophobicContact CB-CG1 4.28Å; P13-I20 HydrophobicContact CG-CG1 4.38Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.37Å; I20-M23 PolarHBondContact O-N 2.92Å; I20-I24 HydrophobicContact CG2-CG1 4.11Å; I20-I24 WeakPolarHBondContact O-CG1 3.39Å; I20-I24 PolarHBondContact O-N 3.29Å; I20-N45 HydrophobicContact CD1-CB 4.45Å; I20-N45 VanDerWaalsContact CD1-O 3.27Å; I20-N45 WeakPolarHBondContact CD1-O 3.33Å; I20-P47 HydrophobicContact CG2-CB 4.13Å; I20-L247 HydrophobicContact CD1-CD1 4.06Å; I20-L247 HydrophobicContact CD1-CD2 3.89Å; I20-L247 HydrophobicContact CD1-CG 4.18Å
21N91.3Very high94.4Very high20 Ų208.5 Ų8.511%0.1075%0.049CC..Hα-helixtrans-56.3-55.1-176.9-86.76.3000112.1Q17 M23 I24 Q25 S245Q17-N21 PolarHBondContact NE2-ND2 3.33Å; Q17-N21 PolarHBondContact NE2-OD1 3.11Å; Q17-N21 WeakPolarHBondContact O-CB 3.35Å; Q17-N21 PolarHBondContact O-N 3.48Å; N21-M23 VanDerWaalsContact C-N 3.33Å; N21-M23 PolarHBondContact O-N 3.39Å; N21-I24 PolarHBondContact O-N 3.08Å; N21-Q25 WeakPolarHBondContact O-CG 3.34Å; N21-Q25 PolarHBondContact O-N 3.43Å; N21-S245 WeakPolarHBondContact OD1-CB 3.44Å; N21-S245 PolarHBondContact OD1-O 2.92Å; N21-S245 PolarHBondContact OD1-OG 3.27Å
22P92.3Very high94.1Very high2 Ų211.7 Ų11.71%0.0137%0.071CC..Hα-helixtrans-67.4-32.2-179.7-19.933.4000113.5G18 C19 Q25 L26 F133 T135 M209 N353G18-P22 WeakPolarHBondContact O-CD 3.4Å; G18-P22 WeakPolarHBondContact O-CG 3.45Å; C19-P22 WeakPolarHBondContact O-CD 3.28Å; P22-Q25 PolarHBondContact O-N 3.33Å; P22-L26 PolarHBondContact O-N 3.07Å; P22-F133 HydrophobicContact CB-CE1 3.92Å; P22-F133 HydrophobicContact CB-CZ 3.76Å; P22-T135 HydrophobicContact CB-CG2 4.31Å; P22-T135 HydrophobicContact CG-CG2 4.26Å; P22-M209 HydrophobicContact CB-CG 3.89Å; P22-N353 WeakPolarHBondContact CG-ND2 3.36Å; P22-N353 WeakPolarHBondContact CG-OD1 3.2Å
23M94.6Very high93.8Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-65.8-41.6176.2-172.168.377.700111.9L11 P13 C19 I20 N21 Q25 L26 A27 F133L11-M23 HydrophobicContact CB-CG 4.08Å; L11-M23 HydrophobicContact CB-SD 3.93Å; L11-M23 HydrophobicContact CD1-CG 4.48Å; L11-M23 HydrophobicContact CD1-SD 4.42Å; L11-M23 HydrophobicContact CD2-SD 4.14Å; L11-M23 HydrophobicContact CG-SD 4.39Å; P13-M23 HydrophobicContact CB-CB 3.77Å; P13-M23 HydrophobicContact CB-CE 4.36Å; P13-M23 HydrophobicContact CB-CG 3.85Å; P13-M23 HydrophobicContact CG-CB 4.42Å; P13-M23 HydrophobicContact CG-CG 4.17Å; C19-M23 WeakPolarHBondContact O-CB 3.43Å; C19-M23 PolarHBondContact O-N 3.38Å; I20-M23 PolarHBondContact O-N 2.92Å; N21-M23 VanDerWaalsContact C-N 3.33Å; N21-M23 PolarHBondContact O-N 3.39Å; M23-Q25 VanDerWaalsContact C-N 3.32Å; M23-L26 WeakPolarHBondContact O-CB 3.22Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-L26 HydrophobicContact SD-CD2 4.43Å; M23-A27 PolarHBondContact O-N 3.27Å; M23-F133 HydrophobicContact CB-CE1 4.26Å; M23-F133 HydrophobicContact CE-CB 3.98Å; M23-F133 HydrophobicContact CE-CD1 3.52Å; M23-F133 HydrophobicContact CE-CE1 4.27Å; M23-F133 HydrophobicContact CE-CG 4.01Å; M23-F133 HydrophobicContact SD-CD1 4.08Å; M23-F133 HydrophobicContact SD-CE1 4.41Å; M23-F133 HydrophobicContact SD-CG 4.42Å
24I93.6Very high93.7Very high0 Ų015.3 Ų15.30%09%0.086CC..Hα-helixtrans-70.1-31.6175.8-64.3-62.2000111.3I20 N21 A27 K28 V39 H52 F57I20-I24 HydrophobicContact CG2-CG1 4.11Å; I20-I24 WeakPolarHBondContact O-CG1 3.39Å; I20-I24 PolarHBondContact O-N 3.29Å; N21-I24 PolarHBondContact O-N 3.08Å; I24-A27 VanDerWaalsContact O-CB 3.29Å; I24-A27 WeakPolarHBondContact O-CB 3.46Å; I24-A27 PolarHBondContact O-N 2.98Å; I24-K28 WeakPolarHBondContact O-CG 3.5Å; I24-K28 PolarHBondContact O-N 3.2Å; I24-V39 HydrophobicContact CD1-CG1 4.37Å; I24-V39 HydrophobicContact CD1-CG2 4.22Å; I24-H52 WeakPolarHBondContact CG2-CE1 3.42Å; I24-F57 HydrophobicContact CD1-CE1 4.04Å; I24-F57 HydrophobicContact CD1-CZ 4.18Å
25Q91.8Very high93.6Very high11 Ų1115 Ų155%0.0519%0.085CC..Hα-helixtrans-66.3-41.9170.8-68.9166.1-20.700111.5N21 P22 M23 A27 K28 I29 S236N21-Q25 WeakPolarHBondContact O-CG 3.34Å; N21-Q25 PolarHBondContact O-N 3.43Å; P22-Q25 PolarHBondContact O-N 3.33Å; M23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-A27 VanDerWaalsContact C-N 3.32Å; Q25-A27 PolarHBondContact O-N 3.41Å; Q25-K28 PolarHBondContact O-N 3.25Å; Q25-I29 WeakPolarHBondContact O-CG1 3.32Å; Q25-I29 PolarHBondContact O-N 2.83Å; Q25-S236 WeakPolarHBondContact CB-OG 3.39Å; Q25-S236 PolarHBondContact OE1-OG 2.94Å
26L93.6Very high93.6Very high0 Ų016.7 Ų16.70%010%0.096CC..Hα-helixtrans-60.2-42.3171.9178.162.3000111.2P22 M23 K28 I29 L30 I111 F133 I207 I233P22-L26 PolarHBondContact O-N 3.07Å; M23-L26 WeakPolarHBondContact O-CB 3.22Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-L26 HydrophobicContact SD-CD2 4.43Å; L26-K28 VanDerWaalsContact C-N 3.34Å; L26-K28 PolarHBondContact O-N 3Å; L26-I29 PolarHBondContact O-N 3.21Å; L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.01Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.24Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.78Å; L26-I111 HydrophobicContact CD2-CD1 4.24Å; L26-I111 HydrophobicContact CD2-CG2 4.07Å; L26-F133 HydrophobicContact CB-CE2 4.38Å; L26-F133 HydrophobicContact CB-CZ 4.48Å; L26-F133 HydrophobicContact CD2-CD2 3.76Å; L26-F133 HydrophobicContact CD2-CE2 3.8Å; L26-F133 HydrophobicContact CD2-CG 4.45Å; L26-F133 HydrophobicContact CD2-CZ 4.49Å; L26-I207 HydrophobicContact CD2-CD1 4.31Å; L26-I233 HydrophobicContact CD1-CD1 3.85Å
27A94.8Very high93.8Very high0 Ų016.3 Ų16.30%09%0.094CC..Hα-helixtrans-53.1-49.817400000112.1L11 M23 I24 Q25 I29 L30 H31 I37 F55L11-A27 HydrophobicContact CD1-CB 3.39Å; M23-A27 PolarHBondContact O-N 3.27Å; I24-A27 VanDerWaalsContact O-CB 3.29Å; I24-A27 WeakPolarHBondContact O-CB 3.46Å; I24-A27 PolarHBondContact O-N 2.98Å; Q25-A27 VanDerWaalsContact C-N 3.32Å; Q25-A27 PolarHBondContact O-N 3.41Å; A27-I29 PolarHBondContact O-N 3.46Å; A27-L30 PolarHBondContact O-N 3.02Å; A27-H31 VanDerWaalsContact O-CB 3.28Å; A27-H31 WeakPolarHBondContact O-CB 3.35Å; A27-H31 PolarHBondContact O-N 2.98Å; A27-I37 HydrophobicContact CB-CG2 3.98Å; A27-F55 HydrophobicContact CB-CD2 4.2Å; A27-F55 HydrophobicContact CB-CE2 3.72Å; A27-F55 HydrophobicContact CB-CZ 4.02Å
28K93Very high94Very high32 Ų3215.8 Ų15.814%0.1399%0.092CC..Hα-helixtrans-63.4-40.3178.2-68.9175.1-179.6-174.40112.2I24 Q25 L26 S32 H52 F55 F240 S244I24-K28 WeakPolarHBondContact O-CG 3.5Å; I24-K28 PolarHBondContact O-N 3.2Å; Q25-K28 PolarHBondContact O-N 3.25Å; L26-K28 VanDerWaalsContact C-N 3.34Å; L26-K28 PolarHBondContact O-N 3Å; K28-S32 WeakPolarHBondContact O-CB 3.47Å; K28-S32 PolarHBondContact O-N 2.86Å; K28-H52 WeakPolarHBondContact CE-ND1 3.27Å; K28-F55 HydrophobicContact CB-CZ 4.36Å; K28-F55 HydrophobicContact CG-CE2 3.98Å; K28-F55 HydrophobicContact CG-CZ 3.67Å; K28-F240 HydrophobicContact CB-CD1 3.81Å; K28-F240 HydrophobicContact CB-CD2 3.62Å; K28-F240 HydrophobicContact CB-CE1 3.78Å; K28-F240 HydrophobicContact CB-CE2 3.61Å; K28-F240 HydrophobicContact CB-CG 3.72Å; K28-F240 HydrophobicContact CB-CZ 3.69Å; K28-F240 HydrophobicContact CD-CB 3.62Å; K28-F240 HydrophobicContact CD-CD1 3.6Å; K28-F240 HydrophobicContact CD-CD2 4.27Å; K28-F240 HydrophobicContact CD-CE1 4.32Å; K28-F240 HydrophobicContact CD-CG 3.55Å; K28-F240 HydrophobicContact CG-CD1 4.23Å; K28-F240 HydrophobicContact CG-CE1 4.5Å; K28-F240 HydrophobicContact CG-CG 4.27Å; K28-S244 PolarHBondContact NZ-OG 3.2Å
29I92.3Very high94.3Very high9 Ų914.6 Ų14.65%0.0468%0.08CC..Hα-helixtrans-60.6-53.5174.3-69169.1000110.2Q25 L26 A27 H31 S32 R33 S236 F240 L441Q25-I29 WeakPolarHBondContact O-CG1 3.32Å; Q25-I29 PolarHBondContact O-N 2.83Å; L26-I29 PolarHBondContact O-N 3.21Å; A27-I29 PolarHBondContact O-N 3.46Å; I29-H31 VanDerWaalsContact C-N 3.34Å; I29-H31 PolarHBondContact O-N 2.89Å; I29-S32 PolarHBondContact O-N 3.49Å; I29-S32 PolarHBondContact O-OG 3.12Å; I29-R33 WeakPolarHBondContact O-CG 3.24Å; I29-R33 PolarHBondContact O-N 3.27Å; I29-S236 VanDerWaalsContact CD1-CB 3.4Å; I29-F240 HydrophobicContact CG1-CD2 4.2Å; I29-F240 HydrophobicContact CG1-CE2 3.71Å; I29-L441 HydrophobicContact CG2-CD1 3.71Å; I29-L441 HydrophobicContact CG2-CD2 3.73Å; I29-L441 HydrophobicContact CG2-CG 4.3Å
30L94.6Very high94.5Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-61-43.8-179-66.3176.3000111.2V9 L11 L26 A27 S32 R33 G34 F35 I37 I111 I445 I448V9-L30 HydrophobicContact CB-CD1 4.43Å; V9-L30 HydrophobicContact CG1-CD1 4.03Å; L11-L30 HydrophobicContact CD2-CD1 4.2Å; L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.01Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.24Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.78Å; A27-L30 PolarHBondContact O-N 3.02Å; L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.15Å; L30-R33 CarbonylContact O-C 3.57Å; L30-R33 WeakPolarHBondContact O-CA 3.2Å; L30-R33 WeakPolarHBondContact O-CB 3.46Å; L30-R33 PolarHBondContact O-N 3.21Å; L30-G34 PolarHBondContact O-N 3.14Å; L30-F35 HydrophobicContact CB-CB 4.31Å; L30-F35 HydrophobicContact CB-CD2 4.16Å; L30-F35 HydrophobicContact CD2-CD2 4.28Å; L30-F35 HydrophobicContact CD2-CE2 4.4Å; L30-F35 WeakPolarHBondContact O-CD2 3.34Å; L30-F35 PolarHBondContact O-N 2.94Å; L30-I37 HydrophobicContact CB-CD1 3.7Å; L30-I37 HydrophobicContact CD1-CD1 4.45Å; L30-I111 HydrophobicContact CD1-CD1 3.9Å; L30-I445 HydrophobicContact CD2-CD1 3.47Å; L30-I445 VanDerWaalsContact CD2-CD1 3.47Å; L30-I448 HydrophobicContact CD2-CD1 4.05Å
31H94.4Very high94.7Very high29 Ų2914.8 Ų14.813%0.1348%0.08CC..Hα-helixtrans-58-43.7175.9-174.4-92.6000112.4E2 A27 I29 R33 G34 F35 I37 F55E2-H31 IonicContact OE2-CE1 3.27Å; E2-H31 PolarHBondContact OE2-CE1 3.34Å; E2-H31 IonicContact OE2-ND1 2.87Å; E2-H31 IonicContact OE2-NE2 3.76Å; A27-H31 VanDerWaalsContact O-CB 3.28Å; A27-H31 WeakPolarHBondContact O-CB 3.35Å; A27-H31 PolarHBondContact O-N 2.98Å; I29-H31 VanDerWaalsContact C-N 3.34Å; I29-H31 PolarHBondContact O-N 2.89Å; H31-R33 PolarHBondContact O-N 3.16Å; H31-G34 PolarHBondContact O-N 2.84Å; H31-F35 WeakPolarHBondContact CA-O 3.04Å; H31-I37 HydrophobicContact CB-CG1 3.94Å; H31-F55 HydrophobicContact CB-CE1 3.64Å; H31-F55 HydrophobicContact CB-CZ 4.32Å; H31-F55 AromaticContact CD2-CE1 3.85Å; H31-F55 AromaticContact CG-CE1 3.7Å
32S92.2Very high95Very high66 Ų6614 Ų1446%0.4628%0.076SC..Hα-helixtrans-61.4-15.917679.10000113.9K28 I29 L30K28-S32 WeakPolarHBondContact O-CB 3.47Å; K28-S32 PolarHBondContact O-N 2.86Å; I29-S32 PolarHBondContact O-N 3.49Å; I29-S32 PolarHBondContact O-OG 3.12Å; L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.15Å
33R92.9Very high95.1Very high73 Ų7316 Ų1628%0.2759%0.09SC..THydrogen-bonded Turntrans-1008.3175.3-53.6-53.5-175.779.71113.4I29 L30 H31 F35 Q442 I445I29-R33 WeakPolarHBondContact O-CG 3.24Å; I29-R33 PolarHBondContact O-N 3.27Å; L30-R33 CarbonylContact O-C 3.57Å; L30-R33 WeakPolarHBondContact O-CA 3.2Å; L30-R33 WeakPolarHBondContact O-CB 3.46Å; L30-R33 PolarHBondContact O-N 3.21Å; H31-R33 PolarHBondContact O-N 3.16Å; R33-F35 HydrophobicContact CB-CD2 4.26Å; R33-F35 HydrophobicContact CB-CE2 4.34Å; R33-Q442 VanDerWaalsContact NH1-OE1 3.15Å; R33-Q442 VanDerWaalsContact NH2-NE2 3.2Å; R33-I445 HydrophobicContact CB-CD1 3.97Å; R33-I445 HydrophobicContact CB-CG2 4.4Å; R33-I445 HydrophobicContact CG-CD1 3.74Å; R33-I445 HydrophobicContact CG-CG1 4.15Å
34G94.3Very high95.2Very high7 Ų717.4 Ų17.47%0.07210%0.096CC..THydrogen-bonded Turntrans97.92.1172.200000115.8K3 S4 N5 L30 H31K3-G34 WeakPolarHBondContact O-CA 3.44Å; S4-G34 WeakPolarHBondContact CA-O 3.38Å; N5-G34 PolarHBondContact N-O 3.31Å; N5-G34 PolarHBondContact OD1-O 3.21Å; L30-G34 PolarHBondContact O-N 3.14Å; H31-G34 PolarHBondContact O-N 2.84Å
35F96Very high95.2Very high2 Ų220 Ų201%0.00911%0.11CC..  trans-76136.4176.7-67.3-82.2000111.3N5 L7 V9 L30 H31 R33 I37 I445 I448 S449N5-F35 WeakPolarHBondContact ND2-CD1 3.4Å; N5-F35 VanDerWaalsContact ND2-CE1 3.29Å; N5-F35 WeakPolarHBondContact ND2-CE1 3.43Å; N5-F35 WeakPolarHBondContact ND2-CZ 3.42Å; L7-F35 HydrophobicContact CB-CD1 3.7Å; L7-F35 HydrophobicContact CB-CE1 3.78Å; L7-F35 HydrophobicContact CD1-CE1 3.79Å; L7-F35 HydrophobicContact CG-CE1 4.43Å; L7-F35 WeakPolarHBondContact O-CA 3.44Å; V9-F35 HydrophobicContact CG2-CB 4.27Å; V9-F35 HydrophobicContact CG2-CD1 3.59Å; V9-F35 HydrophobicContact CG2-CE1 4.13Å; V9-F35 HydrophobicContact CG2-CG 4.03Å; L30-F35 HydrophobicContact CB-CB 4.31Å; L30-F35 HydrophobicContact CB-CD2 4.16Å; L30-F35 HydrophobicContact CD2-CD2 4.28Å; L30-F35 HydrophobicContact CD2-CE2 4.4Å; L30-F35 WeakPolarHBondContact O-CD2 3.34Å; L30-F35 PolarHBondContact O-N 2.94Å; H31-F35 WeakPolarHBondContact CA-O 3.04Å; R33-F35 HydrophobicContact CB-CD2 4.26Å; R33-F35 HydrophobicContact CB-CE2 4.34Å; F35-I37 HydrophobicContact CB-CD1 3.99Å; F35-I445 HydrophobicContact CD2-CD1 4.42Å; F35-I445 HydrophobicContact CE2-CD1 3.79Å; F35-I445 HydrophobicContact CE2-CG2 4.06Å; F35-I445 HydrophobicContact CZ-CG2 4.49Å; F35-I448 HydrophobicContact CD1-CG2 4.34Å; F35-I448 HydrophobicContact CE1-CB 4.45Å; F35-I448 HydrophobicContact CE1-CG2 3.5Å; F35-I448 HydrophobicContact CZ-CB 4.18Å; F35-I448 HydrophobicContact CZ-CG2 3.69Å; F35-S449 WeakPolarHBondContact CZ-OG 3.5Å
36S96.2Very high95.3Very high38 Ų3821.2 Ų21.227%0.26612%0.122SC..EExtended strand (participates in β ladder)trans-73.8135.4162.8-580000109.6L7 R8 V9 Q105L7-S36 PolarHBondContact O-N 3.4Å; R8-S36 CarbonylContact C-O 3.53Å; R8-S36 VanDerWaalsContact CA-O 3.28Å; R8-S36 WeakPolarHBondContact CA-O 3.42Å; V9-S36 PolarHBondContact N-O 2.96Å; S36-Q105 PolarHBondContact OG-NE2 2.7Å
37I97.5Very high95.2Very high5 Ų521.7 Ų21.73%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-113130.2-175.2-51.8-59.3000111.4V9 L11 A27 L30 H31 F35 V39 F55 T56V9-I37 HydrophobicContact CB-CD1 4.39Å; L11-I37 HydrophobicContact CD1-CG2 3.73Å; L11-I37 HydrophobicContact CG-CG2 4.18Å; A27-I37 HydrophobicContact CB-CG2 3.98Å; L30-I37 HydrophobicContact CB-CD1 3.7Å; L30-I37 HydrophobicContact CD1-CD1 4.45Å; H31-I37 HydrophobicContact CB-CG1 3.94Å; F35-I37 HydrophobicContact CB-CD1 3.99Å; I37-V39 HydrophobicContact CG2-CG2 3.98Å; I37-F55 HydrophobicContact CB-CB 4.37Å; I37-F55 HydrophobicContact CB-CD1 3.73Å; I37-F55 HydrophobicContact CB-CE1 4.33Å; I37-F55 HydrophobicContact CB-CG 4.12Å; I37-F55 HydrophobicContact CG1-CD1 4.02Å; I37-F55 HydrophobicContact CG1-CE1 4.13Å; I37-F55 HydrophobicContact CG2-CB 4.47Å; I37-F55 HydrophobicContact CG2-CD1 4.31Å; I37-F55 HydrophobicContact CG2-CG 4.26Å; I37-T56 PolarHBondContact O-N 3.46Å
38T98.2Very high95Very high2 Ų225.2 Ų25.21%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-118.3126166-590000109.3V9 I10 L11 T56 I58 L96V9-T38 PolarHBondContact O-N 3.28Å; I10-T38 CarbonylContact C-O 3.53Å; I10-T38 WeakPolarHBondContact CA-O 3.37Å; L11-T38 PolarHBondContact N-O 2.96Å; T38-T56 CarbonylContact C-O 3.49Å; T38-T56 VanDerWaalsContact CA-O 3.28Å; T38-T56 WeakPolarHBondContact CA-O 3.37Å; T38-T56 HydrophobicContact CG2-CG2 4.43Å; T38-I58 HydrophobicContact CG2-CD1 3.71Å; T38-I58 HydrophobicContact CG2-CG1 4.2Å; T38-L96 HydrophobicContact CG2-CD1 4.14Å; T38-L96 HydrophobicContact CG2-CD2 4.29Å
39V98.4Very high94.9Very high0 Ų025.8 Ų25.80%015%0.15CC..EExtended strand (participates in β ladder)trans-108.3112.9176.3-174.30000108.7L11 P13 I24 I37 T56 F57 I58L11-V39 HydrophobicContact CB-CG2 4.38Å; L11-V39 HydrophobicContact CD1-CG2 4.5Å; L11-V39 WeakPolarHBondContact O-CA 3.29Å; P13-V39 HydrophobicContact CG-CG1 4.5Å; I24-V39 HydrophobicContact CD1-CG1 4.37Å; I24-V39 HydrophobicContact CD1-CG2 4.22Å; I37-V39 HydrophobicContact CG2-CG2 3.98Å; V39-T56 PolarHBondContact N-O 3.02Å; V39-F57 HydrophobicContact CB-CD1 3.82Å; V39-F57 HydrophobicContact CB-CE1 3.85Å; V39-F57 HydrophobicContact CB-CG 4.49Å; V39-F57 HydrophobicContact CG1-CD1 4.13Å; V39-F57 HydrophobicContact CG1-CE1 4.03Å; V39-F57 HydrophobicContact CG2-CD1 4.48Å; V39-F57 HydrophobicContact CG2-CE1 4.09Å; V39-F57 HydrophobicContact CG2-CZ 4.35Å; V39-F57 WeakPolarHBondContact O-CA 3.24Å; V39-I58 PolarHBondContact O-N 3.04Å
40I98.4Very high94.7Very high0 Ų030.6 Ų30.60%019%0.185CC..EExtended strand (participates in β ladder)trans-81.2137.5166.8-59.5175.4000107.1I10 L11 F12 P13 I58 I60 L93 L96I10-I40 HydrophobicContact CG2-CD1 3.62Å; I10-I40 HydrophobicContact CG2-CG1 3.91Å; L11-I40 PolarHBondContact O-N 3.4Å; F12-I40 HydrophobicContact CD2-CB 4.01Å; F12-I40 HydrophobicContact CD2-CG2 3.91Å; F12-I40 WeakPolarHBondContact CD2-O 3.48Å; F12-I40 HydrophobicContact CE2-CG2 4.03Å; F12-I40 HydrophobicContact CG-CB 4.45Å; P13-I40 WeakPolarHBondContact CD-O 3.41Å; I40-I58 WeakPolarHBondContact CA-O 3.44Å; I40-I60 HydrophobicContact CG2-CD1 4.16Å; I40-I60 HydrophobicContact CG2-CG1 4.31Å; I40-I60 HydrophobicContact CG2-CG2 3.89Å; I40-L93 HydrophobicContact CD1-CD2 3.75Å; I40-L93 HydrophobicContact CD1-CG 4.31Å; I40-L96 HydrophobicContact CD1-CD1 4.21Å
41H97.9Very high94.5Very high14 Ų1433.1 Ų33.17%0.06520%0.202CC..EExtended strand (participates in β ladder)trans-149.6155.8175.36786.4000111.5P47 F57 I58 Q59 I60H41-P47 HydrophobicContact CB-CG 4.06Å; H41-P47 VanDerWaalsContact CG-CD 3.49Å; H41-F57 AromaticContact CD2-CD1 3.85Å; H41-I58 PolarHBondContact N-O 2.99Å; H41-Q59 CarbonylContact O-C 3.46Å; H41-Q59 WeakPolarHBondContact O-CA 3.12Å; H41-I60 WeakPolarHBondContact O-CG1 3.29Å; H41-I60 PolarHBondContact O-N 2.9Å
42T97.7Very high94.3Very high3 Ų332.1 Ų32.12%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-74167176.153.30000112P15 F44 I60 D62 L81 W116P15-T42 WeakPolarHBondContact CB-OG1 3.28Å; P15-T42 HydrophobicContact CG-CG2 4.41Å; T42-F44 PolarHBondContact OG1-O 3.08Å; T42-I60 CarbonylContact C-O 3.09Å; T42-I60 HydrophobicContact CG2-CD1 4.35Å; T42-I60 HydrophobicContact CG2-CG1 4.35Å; T42-D62 WeakPolarHBondContact CB-OD2 3.5Å; T42-D62 HydrophobicContact CG2-CB 3.9Å; T42-L81 HydrophobicContact CG2-CD2 4.25Å; T42-W116 HydrophobicContact CG2-CH2 4.12Å; T42-W116 HydrophobicContact CG2-CZ2 4.22Å
43C95.6Very high94.3Very high45 Ų4534.4 Ų34.430%0.30421%0.211SC..SBendtrans-70.4-36169.141.50000112.4Q59 I60 D62C43-Q59 HydrophobicContact CB-CG 4.32Å; C43-I60 PolarHBondContact N-O 2.85Å; C43-I60 VanDerWaalsContact N-O 3.08Å; C43-D62 PolarHBondContact N-OD2 3.08Å; C43-D62 PolarHBondContact SG-OD1 3.22Å; C43-D62 VanDerWaalsContact SG-OD1 3.4Å; C43-D62 PolarHBondContact SG-OD2 3.4Å
44F95.5Very high94.3Very high30 Ų3036.2 Ų36.213%0.13223%0.225CC..THydrogen-bonded Turntrans-63.5130.6168.8178.8-105.6000110.4P15 T42 A46 D62 L64 T69 L77P15-F44 HydrophobicContact CB-CD1 3.89Å; P15-F44 HydrophobicContact CB-CE1 4.48Å; P15-F44 WeakPolarHBondContact CB-O 3.35Å; P15-F44 HydrophobicContact CG-CD1 3.85Å; P15-F44 HydrophobicContact CG-CE1 4.4Å; T42-F44 PolarHBondContact OG1-O 3.08Å; F44-A46 VanDerWaalsContact C-N 3.25Å; F44-A46 PolarHBondContact O-N 3.28Å; F44-D62 WeakPolarHBondContact CB-OD2 3.19Å; F44-D62 PolarHBondContact N-OD2 2.69Å; F44-L64 HydrophobicContact CB-CD1 3.91Å; F44-L64 HydrophobicContact CD1-CD1 4.34Å; F44-L64 HydrophobicContact CD2-CD1 4.32Å; F44-L64 HydrophobicContact CG-CD1 3.93Å; F44-T69 HydrophobicContact CD2-CG2 4.03Å; F44-T69 WeakPolarHBondContact CE2-O 3.28Å; F44-L77 HydrophobicContact CE1-CD1 4.25Å; F44-L77 HydrophobicContact CE1-CD2 3.66Å; F44-L77 HydrophobicContact CE1-CG 4.42Å; F44-L77 HydrophobicContact CZ-CD1 4.4Å; F44-L77 HydrophobicContact CZ-CD2 3.81Å
45N94.2Very high94.3Very high55 Ų5536.8 Ų36.829%0.29423%0.226SC..THydrogen-bonded Turntrans46.846.6-178.9-73.2-17.1000113.4P15 I20 L247P15-N45 HydrophobicContact CB-CB 4.15Å; P15-N45 VanDerWaalsContact O-CB 3.28Å; P15-N45 WeakPolarHBondContact O-CB 3.42Å; P15-N45 PolarHBondContact O-ND2 3.11Å; I20-N45 HydrophobicContact CD1-CB 4.45Å; I20-N45 VanDerWaalsContact CD1-O 3.27Å; I20-N45 WeakPolarHBondContact CD1-O 3.33Å; N45-L247 HydrophobicContact CB-CD1 3.71Å; N45-L247 HydrophobicContact CB-CD2 3.97Å; N45-L247 WeakPolarHBondContact O-CD2 3.47Å
46A93.7Very high94.4Very high36 Ų3640.5 Ų40.530%0.29825%0.249SC..  trans-61.9131.1178.600000111.5F44F44-A46 VanDerWaalsContact C-N 3.25Å; F44-A46 PolarHBondContact O-N 3.28Å
47P92Very high94.4Very high9 Ų940.3 Ų40.36%0.05824%0.244CC..  trans-64.6150.7172.828.1-34.4000111.1I20 H41 A49 F57I20-P47 HydrophobicContact CG2-CB 4.13Å; H41-P47 HydrophobicContact CB-CG 4.06Å; H41-P47 VanDerWaalsContact CG-CD 3.49Å; P47-A49 PolarHBondContact O-N 2.91Å; P47-F57 HydrophobicContact CB-CE1 4.15Å; P47-F57 HydrophobicContact CG-CD1 3.9Å; P47-F57 HydrophobicContact CG-CE1 3.76Å
48K89.7Confident94.5Very high75 Ų7542.3 Ų42.333%0.32625%0.254SS..  trans-72.488.7176.8-64.2173.2-177165.70110.3S50 S51 H52 S246K48-S50 PolarHBondContact O-N 3.27Å; K48-S51 WeakPolarHBondContact O-CB 3.44Å; K48-S51 PolarHBondContact O-N 2.91Å; K48-H52 PolarHBondContact O-CD2 3.48Å; K48-S246 PolarHBondContact NZ-O 3.02Å
49A90.6Very high94.4Very high43 Ų4347.6 Ų47.636%0.35528%0.278SS..G310 helixtrans-55.7-35-17900000113.1P47 S51 H52 F57P47-A49 PolarHBondContact O-N 2.91Å; A49-S51 PolarHBondContact O-N 3.33Å; A49-H52 CarbonylContact O-C 3.57Å; A49-H52 PolarHBondContact O-N 3.41Å; A49-F57 HydrophobicContact CB-CB 3.83Å; A49-F57 HydrophobicContact CB-CD1 4.23Å; A49-F57 HydrophobicContact CB-CD2 3.54Å; A49-F57 HydrophobicContact CB-CE2 4.13Å; A49-F57 HydrophobicContact CB-CG 3.59Å
50S90Very high94.4Very high111 Ų11148.1 Ų48.178%0.77628%0.281SS*.G310 helixtrans-60-24.2176.853.30000114K48 H52K48-S50 PolarHBondContact O-N 3.27Å; S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 2.97Å
51S88.9Confident94.4Very high52 Ų5254.5 Ų54.536%0.36431%0.311SS..G310 helixtrans-77.5-9.6176.4-570000113.5K48 A49 S244K48-S51 WeakPolarHBondContact O-CB 3.44Å; K48-S51 PolarHBondContact O-N 2.91Å; A49-S51 PolarHBondContact O-N 3.33Å; S51-S244 VanDerWaalsContact CB-O 3.28Å; S51-S244 WeakPolarHBondContact CB-O 3.29Å; S51-S244 PolarHBondContact OG-O 3.01Å
52H90.9Very high94.3Very high8 Ų854 Ų544%0.03731%0.309CS..  trans-13764.7-175.1-51.1-85000111.1I24 K28 K48 A49 S50 L54 F55 F57 S244I24-H52 WeakPolarHBondContact CG2-CE1 3.42Å; K28-H52 WeakPolarHBondContact CE-ND1 3.27Å; K48-H52 PolarHBondContact O-CD2 3.48Å; A49-H52 CarbonylContact O-C 3.57Å; A49-H52 PolarHBondContact O-N 3.41Å; S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 2.97Å; H52-L54 PolarHBondContact O-N 3.15Å; H52-F55 HydrophobicContact CB-CD2 3.59Å; H52-F55 HydrophobicContact CB-CE2 3.97Å; H52-F55 HydrophobicContact CB-CG 4.32Å; H52-F55 PolarHBondContact O-N 2.89Å; H52-F57 HydrophobicContact CB-CE2 3.75Å; H52-F57 HydrophobicContact CB-CZ 3.86Å; H52-S244 PolarHBondContact CE1-OG 2.87Å; H52-S244 PolarHBondContact NE2-O 2.97Å
53P91.9Very high94.2Very high114 Ų11456.5 Ų56.574%0.7433%0.334SS*.THydrogen-bonded Turntrans-64.6-13.8-172.327.5-36.9000114.5F55P53-F55 VanDerWaalsContact C-N 3.31Å
54L92.1Very high94.3Very high111 Ų11155.4 Ų55.458%0.58133%0.326SS*.THydrogen-bonded Turntrans-82.1-9.6177.9-59.2173.6000112.8H52H52-L54 PolarHBondContact O-N 3.15Å
55F95.5Very high94.3Very high19 Ų1956.5 Ų56.58%0.08334%0.337CS..SBendtrans-111.4147.8-179.1-48.5-27.4000110.7A27 K28 H31 I37 H52 P53 F57A27-F55 HydrophobicContact CB-CD2 4.2Å; A27-F55 HydrophobicContact CB-CE2 3.72Å; A27-F55 HydrophobicContact CB-CZ 4.02Å; K28-F55 HydrophobicContact CB-CZ 4.36Å; K28-F55 HydrophobicContact CG-CE2 3.98Å; K28-F55 HydrophobicContact CG-CZ 3.67Å; H31-F55 HydrophobicContact CB-CE1 3.64Å; H31-F55 HydrophobicContact CB-CZ 4.32Å; H31-F55 AromaticContact CD2-CE1 3.85Å; H31-F55 AromaticContact CG-CE1 3.7Å; I37-F55 HydrophobicContact CB-CB 4.37Å; I37-F55 HydrophobicContact CB-CD1 3.73Å; I37-F55 HydrophobicContact CB-CE1 4.33Å; I37-F55 HydrophobicContact CB-CG 4.12Å; I37-F55 HydrophobicContact CG1-CD1 4.02Å; I37-F55 HydrophobicContact CG1-CE1 4.13Å; I37-F55 HydrophobicContact CG2-CB 4.47Å; I37-F55 HydrophobicContact CG2-CD1 4.31Å; I37-F55 HydrophobicContact CG2-CG 4.26Å; H52-F55 HydrophobicContact CB-CD2 3.59Å; H52-F55 HydrophobicContact CB-CE2 3.97Å; H52-F55 HydrophobicContact CB-CG 4.32Å; H52-F55 PolarHBondContact O-N 2.89Å; P53-F55 VanDerWaalsContact C-N 3.31Å; F55-F57 HydrophobicContact CB-CD2 4.33Å; F55-F57 HydrophobicContact CB-CE2 3.74Å; F55-F57 HydrophobicContact CB-CZ 4.32Å; F55-F57 HydrophobicContact CD2-CE2 4.34Å; F55-F57 HydrophobicContact CD2-CZ 4.23Å
56T96.8Very high94.3Very high80 Ų8060.1 Ų60.149%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-87.6123.3169.4-58.10000109.3I37 T38 V39 I58I37-T56 PolarHBondContact O-N 3.46Å; T38-T56 CarbonylContact C-O 3.49Å; T38-T56 VanDerWaalsContact CA-O 3.28Å; T38-T56 WeakPolarHBondContact CA-O 3.37Å; T38-T56 HydrophobicContact CG2-CG2 4.43Å; V39-T56 PolarHBondContact N-O 3.02Å; T56-I58 HydrophobicContact CG2-CG1 4.26Å
57F97.7Very high94.3Very high35 Ų3564 Ų6415%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-103.1134.2173.4-71.1-98.1000110.2I24 V39 H41 P47 A49 H52 F55I24-F57 HydrophobicContact CD1-CE1 4.04Å; I24-F57 HydrophobicContact CD1-CZ 4.18Å; V39-F57 HydrophobicContact CB-CD1 3.82Å; V39-F57 HydrophobicContact CB-CE1 3.85Å; V39-F57 HydrophobicContact CB-CG 4.49Å; V39-F57 HydrophobicContact CG1-CD1 4.13Å; V39-F57 HydrophobicContact CG1-CE1 4.03Å; V39-F57 HydrophobicContact CG2-CD1 4.48Å; V39-F57 HydrophobicContact CG2-CE1 4.09Å; V39-F57 HydrophobicContact CG2-CZ 4.35Å; V39-F57 WeakPolarHBondContact O-CA 3.24Å; H41-F57 AromaticContact CD2-CD1 3.85Å; P47-F57 HydrophobicContact CB-CE1 4.15Å; P47-F57 HydrophobicContact CG-CD1 3.9Å; P47-F57 HydrophobicContact CG-CE1 3.76Å; A49-F57 HydrophobicContact CB-CB 3.83Å; A49-F57 HydrophobicContact CB-CD1 4.23Å; A49-F57 HydrophobicContact CB-CD2 3.54Å; A49-F57 HydrophobicContact CB-CE2 4.13Å; A49-F57 HydrophobicContact CB-CG 3.59Å; H52-F57 HydrophobicContact CB-CE2 3.75Å; H52-F57 HydrophobicContact CB-CZ 3.86Å; F55-F57 HydrophobicContact CB-CD2 4.33Å; F55-F57 HydrophobicContact CB-CE2 3.74Å; F55-F57 HydrophobicContact CB-CZ 4.32Å; F55-F57 HydrophobicContact CD2-CE2 4.34Å; F55-F57 HydrophobicContact CD2-CZ 4.23Å
58I98Very high94.4Very high47 Ų4766.2 Ų66.224%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-125.2111.6175.8-58.6174.3000108.5T38 V39 I40 H41 T56 L96T38-I58 HydrophobicContact CG2-CD1 3.71Å; T38-I58 HydrophobicContact CG2-CG1 4.2Å; V39-I58 PolarHBondContact O-N 3.04Å; I40-I58 WeakPolarHBondContact CA-O 3.44Å; H41-I58 PolarHBondContact N-O 2.99Å; T56-I58 HydrophobicContact CG2-CG1 4.26Å; I58-L96 HydrophobicContact CD1-CD1 3.96Å; I58-L96 HydrophobicContact CD1-CD2 3.68Å; I58-L96 HydrophobicContact CD1-CG 4.05Å
59Q98Very high94.5Very high113 Ų11365.1 Ų65.153%0.52838%0.382SS..EExtended strand (participates in β ladder)trans-79.8133.5175.4-168.4174.845.500110.3H41 C43H41-Q59 CarbonylContact O-C 3.46Å; H41-Q59 WeakPolarHBondContact O-CA 3.12Å; C43-Q59 HydrophobicContact CB-CG 4.32Å
60I98Very high94.5Very high10 Ų1071.5 Ų71.55%0.05140%0.397CS..EExtended strand (participates in β ladder)trans-114.4156170.861.9167.7000110.4F12 I40 H41 T42 C43 C85 P88 V89 C92F12-I60 HydrophobicContact CE2-CD1 4.13Å; F12-I60 HydrophobicContact CZ-CD1 4.06Å; I40-I60 HydrophobicContact CG2-CD1 4.16Å; I40-I60 HydrophobicContact CG2-CG1 4.31Å; I40-I60 HydrophobicContact CG2-CG2 3.89Å; H41-I60 WeakPolarHBondContact O-CG1 3.29Å; H41-I60 PolarHBondContact O-N 2.9Å; T42-I60 CarbonylContact C-O 3.09Å; T42-I60 HydrophobicContact CG2-CD1 4.35Å; T42-I60 HydrophobicContact CG2-CG1 4.35Å; C43-I60 PolarHBondContact N-O 2.85Å; C43-I60 VanDerWaalsContact N-O 3.08Å; I60-C85 HydrophobicContact CD1-CB 4.25Å; I60-P88 HydrophobicContact CB-CB 4.01Å; I60-P88 HydrophobicContact CD1-CB 4.46Å; I60-P88 HydrophobicContact CG2-CB 4.45Å; I60-V89 HydrophobicContact CD1-CG2 3.32Å; I60-C92 HydrophobicContact CG2-CB 4.2Å
61Q96.8Very high94.5Very high134 Ų13468.3 Ų68.363%0.62637%0.372SS*.  trans-73.1136.8169.1-62.6-61.6-3500109.6P88Q61-P88 WeakPolarHBondContact O-CG 3.39Å
62D96.6Very high94.4Very high5 Ų571.7 Ų71.73%0.02738%0.377CS..  trans-107.8-2.5177.954.441.3000113.9T42 C43 F44 L64 L81 N84T42-D62 WeakPolarHBondContact CB-OD2 3.5Å; T42-D62 HydrophobicContact CG2-CB 3.9Å; C43-D62 PolarHBondContact N-OD2 3.08Å; C43-D62 PolarHBondContact SG-OD1 3.22Å; C43-D62 VanDerWaalsContact SG-OD1 3.4Å; C43-D62 PolarHBondContact SG-OD2 3.4Å; F44-D62 WeakPolarHBondContact CB-OD2 3.19Å; F44-D62 PolarHBondContact N-OD2 2.69Å; D62-L64 HydrophobicContact CB-CG 4.34Å; D62-L64 PolarHBondContact O-N 2.75Å; D62-L64 VanDerWaalsContact O-N 3.11Å; D62-L64 WeakPolarHBondContact OD1-CB 3.11Å; D62-L64 PolarHBondContact OD1-N 3.13Å; D62-L64 VanDerWaalsContact OD1-N 3.08Å; D62-L81 HydrophobicContact CB-CD2 3.73Å; D62-N84 WeakPolarHBondContact O-CB 3.19Å; D62-N84 PolarHBondContact O-ND2 2.62Å
63G96.2Very high94.3Very high54 Ų5474.9 Ų74.956%0.55739%0.394SS*.  trans64.213.2175.400000114.7N84G63-N84 PolarHBondContact O-ND2 2.66Å
64L96.8Very high94.2Very high23 Ų2370.1 Ų70.112%0.1236%0.363CS..  trans-77.1133.3178.1-61.9176.4000110.5F44 D62 E68 T69 L77 L80 L81F44-L64 HydrophobicContact CB-CD1 3.91Å; F44-L64 HydrophobicContact CD1-CD1 4.34Å; F44-L64 HydrophobicContact CD2-CD1 4.32Å; F44-L64 HydrophobicContact CG-CD1 3.93Å; D62-L64 HydrophobicContact CB-CG 4.34Å; D62-L64 PolarHBondContact O-N 2.75Å; D62-L64 VanDerWaalsContact O-N 3.11Å; D62-L64 WeakPolarHBondContact OD1-CB 3.11Å; D62-L64 PolarHBondContact OD1-N 3.13Å; D62-L64 VanDerWaalsContact OD1-N 3.08Å; L64-E68 HydrophobicContact CB-CB 4.36Å; L64-E68 HydrophobicContact CD2-CB 4.2Å; L64-T69 HydrophobicContact CB-CG2 3.82Å; L64-T69 HydrophobicContact CD1-CG2 4.39Å; L64-L77 HydrophobicContact CD1-CD1 3.57Å; L64-L77 HydrophobicContact CD2-CD1 4.2Å; L64-L80 HydrophobicContact CD2-CB 3.82Å; L64-L80 HydrophobicContact CD2-CD1 4.24Å; L64-L81 HydrophobicContact CD1-CD2 3.8Å; L64-L81 HydrophobicContact CD1-CG 4.34Å; L64-L81 HydrophobicContact CD2-CD2 4.48Å; L64-L81 HydrophobicContact CG-CD2 4.21Å
65S96Very high94.1Very high53 Ų5368.8 Ų68.837%0.37135%0.353SS..  trans-71160.6166.865.90000111.4T67 E68 T69S65-T67 PolarHBondContact O-N 3.17Å; S65-E68 VanDerWaalsContact CB-OE2 3.27Å; S65-E68 WeakPolarHBondContact CB-OE2 3.48Å; S65-E68 PolarHBondContact N-OE2 3.49Å; S65-E68 PolarHBondContact O-N 3.48Å; S65-E68 VanDerWaalsContact OG-CG 3.25Å; S65-E68 WeakPolarHBondContact OG-CG 3.18Å; S65-E68 PolarHBondContact OG-N 2.93Å; S65-E68 PolarHBondContact OG-OE2 3.01Å; S65-T69 WeakPolarHBondContact O-CG2 2.95Å; S65-T69 PolarHBondContact O-N 3.05Å
66E93.4Very high93.8Very high130 Ų13071.6 Ų71.661%0.60737%0.368SS*.Hα-helixtrans-55.4-39.3177.4-172.9175.1-172.400112.3T69 R70E66-T69 PolarHBondContact O-N 3.01Å; E66-T69 PolarHBondContact O-OG1 2.78Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 IonicContact OE1-CZ 3.87Å; E66-R70 IonicContact OE1-NE 3.79Å; E66-R70 IonicContact OE1-NH2 3.02Å; E66-R70 PolarHBondContact OE1-NH2 3.45Å
67T94.3Very high93.7Very high118 Ų11868.1 Ų68.172%0.72435%0.346SS*.Hα-helixtrans-63.5-43.4175.6-550000111.9S65 R70 T71S65-T67 PolarHBondContact O-N 3.17Å; T67-R70 PolarHBondContact O-N 2.87Å; T67-T71 PolarHBondContact O-N 3.22Å
68E94.4Very high93.5Very high56 Ų5667.6 Ų67.626%0.26235%0.345SS..Hα-helixtrans-68.2-34.9179-70.3160.6145.900111.8L64 S65 R70 T71 L80L64-E68 HydrophobicContact CB-CB 4.36Å; L64-E68 HydrophobicContact CD2-CB 4.2Å; S65-E68 VanDerWaalsContact CB-OE2 3.27Å; S65-E68 WeakPolarHBondContact CB-OE2 3.48Å; S65-E68 PolarHBondContact N-OE2 3.49Å; S65-E68 PolarHBondContact O-N 3.48Å; S65-E68 VanDerWaalsContact OG-CG 3.25Å; S65-E68 WeakPolarHBondContact OG-CG 3.18Å; S65-E68 PolarHBondContact OG-N 2.93Å; S65-E68 PolarHBondContact OG-OE2 3.01Å; E68-R70 PolarHBondContact O-N 2.94Å; E68-R70 VanDerWaalsContact O-N 3.17Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 WeakPolarHBondContact O-CG2 3.42Å; E68-T71 PolarHBondContact O-N 2.79Å; E68-T71 VanDerWaalsContact O-N 3.11Å; E68-L80 HydrophobicContact CB-CD1 4.19Å; E68-L80 HydrophobicContact CG-CD1 3.75Å; E68-L80 VanDerWaalsContact OE1-CD1 3.31Å; E68-L80 WeakPolarHBondContact OE1-CD1 3.47Å
69T92.2Very high93.3Very high52 Ų5267.7 Ų67.732%0.31935%0.348SS..Hα-helixtrans-63.4-20.7174.366.20000113.4F44 L64 S65 E66F44-T69 HydrophobicContact CD2-CG2 4.03Å; F44-T69 WeakPolarHBondContact CE2-O 3.28Å; L64-T69 HydrophobicContact CB-CG2 3.82Å; L64-T69 HydrophobicContact CD1-CG2 4.39Å; S65-T69 WeakPolarHBondContact O-CG2 2.95Å; S65-T69 PolarHBondContact O-N 3.05Å; E66-T69 PolarHBondContact O-N 3.01Å; E66-T69 PolarHBondContact O-OG1 2.78Å
70R89.8Confident93.2Very high177 Ų17763.3 Ų63.367%0.66833%0.328SS*.THydrogen-bonded Turntrans-98.4-0.1178.4-61.9177.2-171.9-167.82.6113.1E66 T67 E68E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 IonicContact OE1-CZ 3.87Å; E66-R70 IonicContact OE1-NE 3.79Å; E66-R70 IonicContact OE1-NH2 3.02Å; E66-R70 PolarHBondContact OE1-NH2 3.45Å; T67-R70 PolarHBondContact O-N 2.87Å; E68-R70 PolarHBondContact O-N 2.94Å; E68-R70 VanDerWaalsContact O-N 3.17Å
71T90.6Very high93.1Very high43 Ų4362.9 Ų62.926%0.26433%0.326SS..  trans-63.2140.8-179.1-167.30000111.5T67 E68 D73 L77T67-T71 PolarHBondContact O-N 3.22Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 WeakPolarHBondContact O-CG2 3.42Å; E68-T71 PolarHBondContact O-N 2.79Å; E68-T71 VanDerWaalsContact O-N 3.11Å; T71-D73 PolarHBondContact OG1-N 2.74Å; T71-D73 VanDerWaalsContact OG1-N 3.16Å; T71-L77 HydrophobicContact CG2-CB 3.92Å; T71-L77 HydrophobicContact CG2-CD1 4.41Å
72R86.1Confident93.1Very high124 Ų12457.4 Ų57.447%0.46830%0.301SS..SBendtrans-93.7-7170.4-63.8174.4175.5-179.6-12.1111.9V74 G303 N306R72-V74 PolarHBondContact O-N 2.84Å; R72-V74 VanDerWaalsContact O-N 3.15Å; R72-G303 PolarHBondContact NH2-O 2.63Å; R72-G303 VanDerWaalsContact NH2-O 3.12Å; R72-N306 PolarHBondContact NH1-OD1 3.29Å
73D89.5Confident93Very high75 Ų7563.4 Ų63.440%0.40133%0.329SS..  trans-81.789.9171.7-171.4-14.9000109.8T71 K75 L76 L77T71-D73 PolarHBondContact OG1-N 2.74Å; T71-D73 VanDerWaalsContact OG1-N 3.16Å; D73-K75 PolarHBondContact O-N 3.45Å; D73-K75 WeakPolarHBondContact OD1-CB 3.37Å; D73-K75 PolarHBondContact OD1-N 3.29Å; D73-L76 HydrophobicContact CB-CB 3.88Å; D73-L76 PolarHBondContact O-N 2.98Å; D73-L76 PolarHBondContact OD1-N 3.38Å; D73-L77 PolarHBondContact O-N 3.2Å
74V89.7Confident93.1Very high14 Ų1463.3 Ų63.39%0.08532%0.316CS..Hα-helixtrans-64-26.5178.9-178.70000111.9L16 R72 L77 I78 L274 W372L16-V74 HydrophobicContact CD1-CG1 4.02Å; L16-V74 HydrophobicContact CD2-CG1 4.34Å; R72-V74 PolarHBondContact O-N 2.84Å; R72-V74 VanDerWaalsContact O-N 3.15Å; V74-L77 PolarHBondContact O-N 2.71Å; V74-I78 HydrophobicContact CG1-CD1 3.86Å; V74-I78 HydrophobicContact CG1-CG1 4.28Å; V74-I78 WeakPolarHBondContact O-CB 3.48Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.31Å; V74-I78 PolarHBondContact O-N 3.42Å; V74-L274 HydrophobicContact CG2-CD2 4.33Å; V74-W372 HydrophobicContact CB-CH2 4.22Å; V74-W372 HydrophobicContact CB-CZ2 3.64Å; V74-W372 HydrophobicContact CG1-CH2 4.02Å; V74-W372 HydrophobicContact CG1-CZ2 3.62Å; V74-W372 HydrophobicContact CG2-CH2 3.96Å; V74-W372 HydrophobicContact CG2-CZ2 3.82Å
75K89Confident93.2Very high82 Ų8262.2 Ų62.236%0.35731%0.31SS..Hα-helixtrans-70.8-44.6177.2-65.7177.6179.2174.90110.2D73 L77 I78 T79 A184 D185D73-K75 PolarHBondContact O-N 3.45Å; D73-K75 WeakPolarHBondContact OD1-CB 3.37Å; D73-K75 PolarHBondContact OD1-N 3.29Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-I78 PolarHBondContact O-N 3.5Å; K75-T79 WeakPolarHBondContact O-CB 3.25Å; K75-T79 PolarHBondContact O-N 2.93Å; K75-T79 PolarHBondContact O-OG1 3.11Å; K75-A184 PolarHBondContact NZ-O 3.48Å; K75-D185 WeakPolarHBondContact CE-OD1 3.27Å; K75-D185 IonicContact NZ-OD1 3.61Å; K75-D185 PolarHBondContact NZ-OD1 3.1Å
76L91.1Very high93.2Very high79 Ų7963.2 Ų63.241%0.41431%0.308SS..Hα-helixtrans-58.7-48.1172.5175.860.6000110.7D73 I78 T79 L80D73-L76 HydrophobicContact CB-CB 3.88Å; D73-L76 PolarHBondContact O-N 2.98Å; D73-L76 PolarHBondContact OD1-N 3.38Å; L76-I78 PolarHBondContact O-N 2.71Å; L76-T79 WeakPolarHBondContact O-CB 3.46Å; L76-T79 PolarHBondContact O-N 3.4Å; L76-T79 VanDerWaalsContact O-N 3.13Å; L76-L80 HydrophobicContact CD1-CD1 4.03Å; L76-L80 HydrophobicContact CD1-CG 4.08Å; L76-L80 HydrophobicContact CG-CD1 3.97Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3Å
77L93.5Very high93.4Very high6 Ų661.1 Ų61.13%0.03131%0.308CS..Hα-helixtrans-55.6-50.7178.418065000112.2L16 F44 L64 T71 D73 V74 K75 T79 L80 L81L16-L77 HydrophobicContact CD2-CD2 4.39Å; F44-L77 HydrophobicContact CE1-CD1 4.25Å; F44-L77 HydrophobicContact CE1-CD2 3.66Å; F44-L77 HydrophobicContact CE1-CG 4.42Å; F44-L77 HydrophobicContact CZ-CD1 4.4Å; F44-L77 HydrophobicContact CZ-CD2 3.81Å; L64-L77 HydrophobicContact CD1-CD1 3.57Å; L64-L77 HydrophobicContact CD2-CD1 4.2Å; T71-L77 HydrophobicContact CG2-CB 3.92Å; T71-L77 HydrophobicContact CG2-CD1 4.41Å; D73-L77 PolarHBondContact O-N 3.2Å; V74-L77 PolarHBondContact O-N 2.71Å; K75-L77 VanDerWaalsContact C-N 3.34Å; L77-T79 VanDerWaalsContact C-N 3.27Å; L77-T79 PolarHBondContact O-N 3.24Å; L77-L80 PolarHBondContact O-N 2.94Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.43Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 WeakPolarHBondContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.4Å
78I93.2Very high93.6Very high24 Ų2457.4 Ų57.412%0.12329%0.286CS..Hα-helixtrans-62-36.6178.7-70.8169.5000111.5L14 L16 V74 K75 L76 N82 Y192L14-I78 HydrophobicContact CD1-CD1 4.48Å; L16-I78 HydrophobicContact CD1-CD1 4.29Å; V74-I78 HydrophobicContact CG1-CD1 3.86Å; V74-I78 HydrophobicContact CG1-CG1 4.28Å; V74-I78 WeakPolarHBondContact O-CB 3.48Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.31Å; V74-I78 PolarHBondContact O-N 3.42Å; K75-I78 PolarHBondContact O-N 3.5Å; L76-I78 PolarHBondContact O-N 2.71Å; I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 3.02Å; I78-Y192 HydrophobicContact CG2-CE1 4.04Å; I78-Y192 WeakPolarHBondContact CG2-OH 3.43Å
79T93.3Very high93.8Very high49 Ų4954.8 Ų54.830%0.30127%0.274SS..Hα-helixtrans-64.1-50.6177.5-59.60000110.9K75 L76 L77 L81 N82 Q83K75-T79 WeakPolarHBondContact O-CB 3.25Å; K75-T79 PolarHBondContact O-N 2.93Å; K75-T79 PolarHBondContact O-OG1 3.11Å; L76-T79 WeakPolarHBondContact O-CB 3.46Å; L76-T79 PolarHBondContact O-N 3.4Å; L76-T79 VanDerWaalsContact O-N 3.13Å; L77-T79 VanDerWaalsContact C-N 3.27Å; L77-T79 PolarHBondContact O-N 3.24Å; T79-L81 VanDerWaalsContact C-N 3.34Å; T79-L81 PolarHBondContact O-N 3.38Å; T79-N82 PolarHBondContact O-N 3.3Å; T79-Q83 WeakPolarHBondContact O-CG 3.28Å; T79-Q83 PolarHBondContact O-N 2.89Å; T79-Q83 VanDerWaalsContact O-N 3.12Å
80L95.8Very high94.1Very high22 Ų2254.8 Ų54.812%0.11527%0.268CS..Hα-helixtrans-61.1-43.7178.2-67.9169.2000111.4L64 E68 L76 L77 N82 Q83 N84L64-L80 HydrophobicContact CD2-CB 3.82Å; L64-L80 HydrophobicContact CD2-CD1 4.24Å; E68-L80 HydrophobicContact CB-CD1 4.19Å; E68-L80 HydrophobicContact CG-CD1 3.75Å; E68-L80 VanDerWaalsContact OE1-CD1 3.31Å; E68-L80 WeakPolarHBondContact OE1-CD1 3.47Å; L76-L80 HydrophobicContact CD1-CD1 4.03Å; L76-L80 HydrophobicContact CD1-CG 4.08Å; L76-L80 HydrophobicContact CG-CD1 3.97Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3Å; L77-L80 PolarHBondContact O-N 2.94Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 3.48Å; L80-Q83 PolarHBondContact O-N 2.88Å; L80-Q83 VanDerWaalsContact O-N 3.13Å; L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 3.41Å; L80-N84 PolarHBondContact O-ND2 2.98Å
81L97.3Very high94.4Very high1 Ų150.4 Ų50.41%0.00526%0.255CS..Hα-helixtrans-57.3-45.4175.9-76.1173.6000111.8P15 T42 D62 L64 L77 T79 Q83 N84 C85 W116P15-L81 HydrophobicContact CG-CD1 3.44Å; P15-L81 VanDerWaalsContact CG-CD1 3.44Å; P15-L81 HydrophobicContact CG-CD2 4.36Å; T42-L81 HydrophobicContact CG2-CD2 4.25Å; D62-L81 HydrophobicContact CB-CD2 3.73Å; L64-L81 HydrophobicContact CD1-CD2 3.8Å; L64-L81 HydrophobicContact CD1-CG 4.34Å; L64-L81 HydrophobicContact CD2-CD2 4.48Å; L64-L81 HydrophobicContact CG-CD2 4.21Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.43Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 WeakPolarHBondContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.4Å; T79-L81 VanDerWaalsContact C-N 3.34Å; T79-L81 PolarHBondContact O-N 3.38Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; L81-Q83 PolarHBondContact O-N 3.13Å; L81-N84 PolarHBondContact O-N 3.12Å; L81-C85 WeakPolarHBondContact O-CB 3.37Å; L81-C85 PolarHBondContact O-N 3.19Å; L81-C85 PolarHBondContact O-SG 3.37Å; L81-W116 HydrophobicContact CB-CH2 3.76Å; L81-W116 HydrophobicContact CB-CZ3 3.7Å; L81-W116 HydrophobicContact CD1-CH2 4.39Å; L81-W116 HydrophobicContact CD2-CH2 4.3Å; L81-W116 HydrophobicContact CG-CH2 4.39Å
82N96.3Very high94.8Very high19 Ų1948.9 Ų48.910%0.10225%0.246CC..Hα-helixtrans-64.2-33.9177.8-89.2-83.8000112.9I78 T79 L80 G115 I117 F118 Y192I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 3.02Å; T79-N82 PolarHBondContact O-N 3.3Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 3.48Å; N82-G115 PolarHBondContact ND2-O 3.21Å; N82-G115 PolarHBondContact OD1-O 2.77Å; N82-I117 PolarHBondContact OD1-N 3.45Å; N82-F118 HydrophobicContact CB-CD1 4.29Å; N82-F118 VanDerWaalsContact O-CD1 3.27Å; N82-F118 WeakPolarHBondContact O-CD1 3.4Å; N82-F118 WeakPolarHBondContact OD1-CD1 3.42Å; N82-Y192 PolarHBondContact ND2-OH 2.67Å; N82-Y192 VanDerWaalsContact ND2-OH 3.07Å
83Q95Very high95.4Very high130 Ų13043 Ų4361%0.60722%0.224SC*.Hα-helixtrans-72-43.7176.6-69170.6-3.400111.7T79 L80 L81T79-Q83 WeakPolarHBondContact O-CG 3.28Å; T79-Q83 PolarHBondContact O-N 2.89Å; T79-Q83 VanDerWaalsContact O-N 3.12Å; L80-Q83 PolarHBondContact O-N 2.88Å; L80-Q83 VanDerWaalsContact O-N 3.13Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; L81-Q83 PolarHBondContact O-N 3.13Å
84N97.6Very high95.8Very high53 Ų5345.1 Ų45.128%0.28323%0.226SC..Hα-helixtrans-85-33.8-169.9-65-12.1000113.4D62 G63 L80 L81 E86 P88D62-N84 WeakPolarHBondContact O-CB 3.19Å; D62-N84 PolarHBondContact O-ND2 2.62Å; G63-N84 PolarHBondContact O-ND2 2.66Å; L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 3.41Å; L80-N84 PolarHBondContact O-ND2 2.98Å; L81-N84 PolarHBondContact O-N 3.12Å; N84-E86 PolarHBondContact O-N 3.03Å; N84-P88 VanDerWaalsContact O-CD 3.24Å; N84-P88 WeakPolarHBondContact O-CD 3.29Å
85C98.2Very high96.1Very high0 Ų050.7 Ų50.70%025%0.25CC..SBendtrans-81.8-13.1-170.7-660000114I60 L81 S87 P88 V89 W116 F118I60-C85 HydrophobicContact CD1-CB 4.25Å; L81-C85 WeakPolarHBondContact O-CB 3.37Å; L81-C85 PolarHBondContact O-N 3.19Å; L81-C85 PolarHBondContact O-SG 3.37Å; C85-S87 PolarHBondContact O-N 2.95Å; C85-P88 WeakPolarHBondContact O-CD 3.34Å; C85-V89 HydrophobicContact CB-CG2 4.32Å; C85-V89 WeakPolarHBondContact O-CB 3.33Å; C85-V89 WeakPolarHBondContact O-CG2 3.42Å; C85-V89 PolarHBondContact O-N 3.37Å; C85-W116 HydrophobicContact CB-CH2 4.17Å; C85-W116 HydrophobicContact CB-CZ3 4Å; C85-F118 HydrophobicContact CB-CE1 3.91Å; C85-F118 HydrophobicContact CB-CZ 3.83Å
86E97Very high96.5Very high73 Ų7347.4 Ų47.434%0.34124%0.236SC..Hα-helixtrans-58.5-50-174.5-175.1-178.2154.800112.4N84 R90 F118N84-E86 PolarHBondContact O-N 3.03Å; E86-R90 WeakPolarHBondContact O-CB 3.35Å; E86-R90 PolarHBondContact O-N 2.84Å; E86-R90 IonicContact OE1-CZ 3.75Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 PolarHBondContact OE1-NH2 2.99Å; E86-F118 HydrophobicContact CB-CB 4.24Å; E86-F118 HydrophobicContact CB-CD1 4.41Å; E86-F118 HydrophobicContact CB-CD2 3.88Å; E86-F118 HydrophobicContact CB-CE2 4.32Å; E86-F118 HydrophobicContact CB-CG 3.93Å; E86-F118 HydrophobicContact CG-CB 4.12Å; E86-F118 HydrophobicContact CG-CD2 3.81Å; E86-F118 HydrophobicContact CG-CG 4.11Å
87S97.7Very high96.8Very high87 Ų8745.4 Ų45.461%0.60823%0.226SC*.Hα-helixtrans-67.7-49-178.3178.30000112.5C85 V89 R90 E91C85-S87 PolarHBondContact O-N 2.95Å; S87-V89 PolarHBondContact O-N 3.42Å; S87-R90 WeakPolarHBondContact O-CB 3.33Å; S87-R90 PolarHBondContact O-N 2.73Å; S87-E91 PolarHBondContact O-N 3.25Å
88P98.1Very high96.9Very high40 Ų4049.8 Ų49.826%0.2625%0.246SC..Hα-helixtrans-56.7-43.5173.9-27.635.6000114.1I60 Q61 N84 C85 E91 C92I60-P88 HydrophobicContact CB-CB 4.01Å; I60-P88 HydrophobicContact CD1-CB 4.46Å; I60-P88 HydrophobicContact CG2-CB 4.45Å; Q61-P88 WeakPolarHBondContact O-CG 3.39Å; N84-P88 VanDerWaalsContact O-CD 3.24Å; N84-P88 WeakPolarHBondContact O-CD 3.29Å; C85-P88 WeakPolarHBondContact O-CD 3.34Å; P88-E91 PolarHBondContact O-N 3.31Å; P88-C92 WeakPolarHBondContact O-CB 3.27Å; P88-C92 PolarHBondContact O-N 2.68Å
89V98.3Very high97Very high0 Ų050 Ų500%025%0.25CC..Hα-helixtrans-66.3-41.9177.3176.70000110.7F12 I60 C85 S87 E91 C92 L93 F118 L122F12-V89 HydrophobicContact CE1-CG1 4.47Å; F12-V89 HydrophobicContact CE1-CG2 3.68Å; F12-V89 HydrophobicContact CE2-CG2 4.38Å; F12-V89 HydrophobicContact CZ-CG2 3.6Å; I60-V89 HydrophobicContact CD1-CG2 3.32Å; C85-V89 HydrophobicContact CB-CG2 4.32Å; C85-V89 WeakPolarHBondContact O-CB 3.33Å; C85-V89 WeakPolarHBondContact O-CG2 3.42Å; C85-V89 PolarHBondContact O-N 3.37Å; S87-V89 PolarHBondContact O-N 3.42Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.49Å; V89-C92 PolarHBondContact O-N 3.07Å; V89-L93 HydrophobicContact CG1-CD1 3.85Å; V89-L93 HydrophobicContact CG1-CG 4.07Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.1Å; V89-F118 HydrophobicContact CB-CE2 3.97Å; V89-F118 HydrophobicContact CB-CZ 4.3Å; V89-F118 HydrophobicContact CG1-CE2 4.19Å; V89-F118 HydrophobicContact CG2-CE2 4.11Å; V89-F118 HydrophobicContact CG2-CZ 3.92Å; V89-L122 HydrophobicContact CB-CD2 4.16Å; V89-L122 HydrophobicContact CG1-CD2 3.67Å
90R98.1Very high97Very high52 Ų5248 Ų4820%0.19624%0.237CC..Hα-helixtrans-57.9-45.3177.7178.9-177-59.6-81.85.1111.7E86 S87 R94 L122 S125E86-R90 WeakPolarHBondContact O-CB 3.35Å; E86-R90 PolarHBondContact O-N 2.84Å; E86-R90 IonicContact OE1-CZ 3.75Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 PolarHBondContact OE1-NH2 2.99Å; S87-R90 WeakPolarHBondContact O-CB 3.33Å; S87-R90 PolarHBondContact O-N 2.73Å; R90-R94 WeakPolarHBondContact O-CG 3.48Å; R90-R94 PolarHBondContact O-N 3.19Å; R90-L122 HydrophobicContact CB-CD1 3.6Å; R90-L122 HydrophobicContact CB-CD2 4.16Å; R90-L122 HydrophobicContact CG-CD1 3.58Å; R90-S125 PolarHBondContact NH1-OG 3.36Å
91E98Very high96.8Very high85 Ų8554.2 Ų54.240%0.39726%0.264SS..Hα-helixtrans-67.9-42.5178.3-173.755.1-155.700112S87 P88 V89 L93 R94 K95S87-E91 PolarHBondContact O-N 3.25Å; P88-E91 PolarHBondContact O-N 3.31Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.49Å; E91-L93 PolarHBondContact O-N 3.29Å; E91-R94 PolarHBondContact O-N 3.32Å; E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.06Å; E91-K95 VanDerWaalsContact O-N 3.08Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.91Å
92C98.3Very high96.6Very high12 Ų1260.6 Ų60.68%0.08129%0.294CS..Hα-helixtrans-57.3-50174.7-179.40000112I60 P88 V89 R94 K95 L96I60-C92 HydrophobicContact CG2-CB 4.2Å; P88-C92 WeakPolarHBondContact O-CB 3.27Å; P88-C92 PolarHBondContact O-N 2.68Å; V89-C92 PolarHBondContact O-N 3.07Å; C92-R94 PolarHBondContact O-N 2.83Å; C92-K95 PolarHBondContact O-N 3.28Å; C92-L96 WeakPolarHBondContact O-CG 3.21Å; C92-L96 PolarHBondContact O-N 3.49Å
93L98.2Very high96.3Very high0 Ų065.2 Ų65.20%032%0.315CS..Hα-helixtrans-63.6-38.6179.4-69.9178000112.3I10 I40 V89 E91 L96 L97 L110 L122 L126 L128I10-L93 HydrophobicContact CD1-CD2 3.57Å; I10-L93 HydrophobicContact CG2-CD2 4.2Å; I40-L93 HydrophobicContact CD1-CD2 3.75Å; I40-L93 HydrophobicContact CD1-CG 4.31Å; V89-L93 HydrophobicContact CG1-CD1 3.85Å; V89-L93 HydrophobicContact CG1-CG 4.07Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.1Å; E91-L93 PolarHBondContact O-N 3.29Å; L93-L96 PolarHBondContact O-N 3.35Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CD1 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 3.47Å; L93-L110 HydrophobicContact CD1-CD2 4.27Å; L93-L122 HydrophobicContact CD1-CD2 3.8Å; L93-L122 HydrophobicContact CD1-CG 4.01Å; L93-L126 HydrophobicContact CB-CD1 3.6Å; L93-L126 HydrophobicContact CD1-CD1 4Å; L93-L126 HydrophobicContact CG-CD1 4.47Å; L93-L128 HydrophobicContact CD2-CD2 4.37Å
94R97.5Very high95.9Very high119 Ų11968.5 Ų68.545%0.44933%0.327SS..Hα-helixtrans-61-46.4175.2-78.3176.8178.3149.4-3.4112R90 E91 C92 L97 Q98 L126R90-R94 WeakPolarHBondContact O-CG 3.48Å; R90-R94 PolarHBondContact O-N 3.19Å; E91-R94 PolarHBondContact O-N 3.32Å; C92-R94 PolarHBondContact O-N 2.83Å; R94-L97 PolarHBondContact O-N 2.86Å; R94-Q98 WeakPolarHBondContact O-CB 3.27Å; R94-Q98 PolarHBondContact O-N 2.86Å; R94-L126 HydrophobicContact CG-CD2 3.85Å
95K97.5Very high95.5Very high132 Ų13268.2 Ų68.257%0.57432%0.324SS*.Hα-helixtrans-62.7-42.2176.9-70.2179.2-177.1176.50112E91 C92 Q98 S99E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.06Å; E91-K95 VanDerWaalsContact O-N 3.08Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.91Å; C92-K95 PolarHBondContact O-N 3.28Å; K95-Q98 PolarHBondContact O-N 3.39Å; K95-S99 WeakPolarHBondContact O-CB 3.28Å; K95-S99 PolarHBondContact O-N 3.42Å; K95-S99 PolarHBondContact O-OG 2.93Å
96L97.4Very high95.3Very high13 Ų1374.4 Ų74.47%0.06835%0.347CS..Hα-helixtrans-62.7-45.1175.9-77.2171.8000112.2I10 T38 I40 I58 C92 L93 Q98 S99 A100 I107I10-L96 HydrophobicContact CD1-CB 4.46Å; I10-L96 HydrophobicContact CD1-CD1 3.85Å; I10-L96 HydrophobicContact CG1-CD1 4.43Å; T38-L96 HydrophobicContact CG2-CD1 4.14Å; T38-L96 HydrophobicContact CG2-CD2 4.29Å; I40-L96 HydrophobicContact CD1-CD1 4.21Å; I58-L96 HydrophobicContact CD1-CD1 3.96Å; I58-L96 HydrophobicContact CD1-CD2 3.68Å; I58-L96 HydrophobicContact CD1-CG 4.05Å; C92-L96 WeakPolarHBondContact O-CG 3.21Å; C92-L96 PolarHBondContact O-N 3.49Å; L93-L96 PolarHBondContact O-N 3.35Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.36Å; L96-S99 WeakPolarHBondContact CA-OG 3.44Å; L96-S99 PolarHBondContact O-OG 2.92Å; L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.35Å; L96-I107 HydrophobicContact CB-CD1 4.11Å
97L96.8Very high95.2Very high37 Ų3771.9 Ų71.919%0.19434%0.336CS..Hα-helixtrans-67.4-34.1178.3-70.9166.6000112.1L93 R94 K101 I107 L126 L128L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CD1 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 3.47Å; R94-L97 PolarHBondContact O-N 2.86Å; L97-K101 WeakPolarHBondContact O-CG 3.49Å; L97-K101 PolarHBondContact O-N 3.29Å; L97-I107 HydrophobicContact CD2-CB 4.34Å; L97-I107 HydrophobicContact CD2-CD1 4.1Å; L97-L126 HydrophobicContact CD1-CB 3.87Å; L97-L126 HydrophobicContact CD1-CD1 4.1Å; L97-L126 HydrophobicContact CD1-CD2 4.43Å; L97-L126 HydrophobicContact CD1-CG 4.36Å; L97-L128 HydrophobicContact CD2-CD1 4.46Å
98Q95.6Very high95.2Very high97 Ų9768 Ų6845%0.45331%0.308SS..Hα-helixtrans-70.4-50.6176.5-177.257.733.100111.8R94 K95 L96 A100 K101 E102R94-Q98 WeakPolarHBondContact O-CB 3.27Å; R94-Q98 PolarHBondContact O-N 2.86Å; K95-Q98 PolarHBondContact O-N 3.39Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.36Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.93Å; Q98-K101 WeakPolarHBondContact O-CB 3.46Å; Q98-K101 PolarHBondContact O-N 3.46Å; Q98-K101 VanDerWaalsContact O-N 3.11Å; Q98-E102 PolarHBondContact NE2-OE1 3.33Å; Q98-E102 PolarHBondContact O-N 3.35Å
99S94.6Very high95.2Very high30 Ų3066 Ų6621%0.2130%0.296CS..Hα-helixtrans-58.4-41.2175.9500000112.2K95 L96 K101 E102 E103K95-S99 WeakPolarHBondContact O-CB 3.28Å; K95-S99 PolarHBondContact O-N 3.42Å; K95-S99 PolarHBondContact O-OG 2.93Å; L96-S99 WeakPolarHBondContact CA-OG 3.44Å; L96-S99 PolarHBondContact O-OG 2.92Å; S99-K101 VanDerWaalsContact C-N 3.29Å; S99-K101 PolarHBondContact O-N 2.91Å; S99-E102 PolarHBondContact O-N 3.26Å; S99-E102 VanDerWaalsContact O-N 3.1Å; S99-E103 WeakPolarHBondContact O-CB 3.4Å; S99-E103 WeakPolarHBondContact O-CG 3.21Å; S99-E103 PolarHBondContact O-N 3.45Å
100A93.4Very high95.2Very high5 Ų566 Ų664%0.04130%0.296CS..Hα-helixtrans-60-37176.500000113L96 Q98 K104 Q105 I107L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.35Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.93Å; A100-K104 PolarHBondContact O-N 3.01Å; A100-K104 VanDerWaalsContact O-N 3.07Å; A100-Q105 CarbonylContact C-O 3.5Å; A100-Q105 WeakPolarHBondContact CB-O 3.37Å; A100-Q105 PolarHBondContact O-N 3.25Å; A100-I107 HydrophobicContact CB-CD1 3.8Å; A100-I107 HydrophobicContact CB-CG1 3.69Å
101K92.3Very high95.2Very high154 Ų15463.6 Ų63.667%0.6729%0.286SS*.Hα-helixtrans-65.5-40.5174.3-71.9171.7-177178.60112.1L97 Q98 S99 K104L97-K101 WeakPolarHBondContact O-CG 3.49Å; L97-K101 PolarHBondContact O-N 3.29Å; Q98-K101 WeakPolarHBondContact O-CB 3.46Å; Q98-K101 PolarHBondContact O-N 3.46Å; Q98-K101 VanDerWaalsContact O-N 3.11Å; S99-K101 VanDerWaalsContact C-N 3.29Å; S99-K101 PolarHBondContact O-N 2.91Å; K101-K104 PolarHBondContact O-N 2.9Å
102E92.3Very high95.2Very high135 Ų13559.5 Ų59.563%0.63127%0.268SS*.Hα-helixtrans-68.9-42.1179.3-68.5166-166.600111.5Q98 S99 K104Q98-E102 PolarHBondContact NE2-OE1 3.33Å; Q98-E102 PolarHBondContact O-N 3.35Å; S99-E102 PolarHBondContact O-N 3.26Å; S99-E102 VanDerWaalsContact O-N 3.1Å; E102-K104 PolarHBondContact O-N 2.99Å
103E89.8Confident95.2Very high116 Ų11659 Ų5954%0.54226%0.264SS..THydrogen-bonded Turntrans-75.7-6.3177-67.7171.2-176.100113.4R8 S99 Q105R8-E103 IonicContact NH2-OE2 3Å; R8-E103 PolarHBondContact NH2-OE2 3.23Å; S99-E103 WeakPolarHBondContact O-CB 3.4Å; S99-E103 WeakPolarHBondContact O-CG 3.21Å; S99-E103 PolarHBondContact O-N 3.45Å; E103-Q105 HydrophobicContact CB-CB 4.42Å; E103-Q105 PolarHBondContact O-N 3.14Å
104K87.6Confident95.1Very high199 Ų19959.2 Ų59.287%0.86527%0.266SS*.THydrogen-bonded Turntrans53.930-170.4-57.6179.2179.7176.60113.2A100 K101 E102A100-K104 PolarHBondContact O-N 3.01Å; A100-K104 VanDerWaalsContact O-N 3.07Å; K101-K104 PolarHBondContact O-N 2.9Å; E102-K104 PolarHBondContact O-N 2.99Å
105Q88.7Confident94.9Very high46 Ų4653.9 Ų53.922%0.21525%0.247CC..  trans-95.7141.6173.5-172.9167.77.200110.2R8 S36 A100 E103R8-Q105 HydrophobicContact CB-CG 4.49Å; S36-Q105 PolarHBondContact OG-NE2 2.7Å; A100-Q105 CarbonylContact C-O 3.5Å; A100-Q105 WeakPolarHBondContact CB-O 3.37Å; A100-Q105 PolarHBondContact O-N 3.25Å; E103-Q105 HydrophobicContact CB-CB 4.42Å; E103-Q105 PolarHBondContact O-N 3.14Å
106R93.3Very high94.9Very high130 Ų13047.6 Ų47.649%0.49122%0.22SC..EExtended strand (participates in β ladder)trans-94.9125.9178.3-170.6-179.7-171.2174.19.9110.8L7 R8 F451L7-R106 HydrophobicContact CD2-CB 3.99Å; L7-R106 HydrophobicContact CD2-CG 4.19Å; R8-R106 PolarHBondContact N-O 3.15Å; R106-F451 VanDerWaalsContact CZ-C 3.43Å; R106-F451 PolarHBondContact NE-O 3.16Å; R106-F451 VanDerWaalsContact NE-O 3.13Å; R106-F451 PolarHBondContact NH1-O 2.87Å; R106-F451 VanDerWaalsContact NH1-O 3.15Å; R106-F451 PolarHBondContact NH2-O 3.26Å; R106-F451 PolarHBondContact NH2-OXT 3.49Å
107I96.7Very high94.8Very high21 Ų2147.9 Ų47.911%0.10822%0.221CC..EExtended strand (participates in β ladder)trans-88115.9164.8-53.4-170.3000107.5R8 I10 L96 L97 A100 L128R8-I107 HydrophobicContact CB-CG1 4.33Å; R8-I107 WeakPolarHBondContact O-CA 3.45Å; I10-I107 HydrophobicContact CD1-CD1 4.08Å; I10-I107 HydrophobicContact CD1-CG2 3.8Å; I10-I107 HydrophobicContact CG1-CG2 3.94Å; L96-I107 HydrophobicContact CB-CD1 4.11Å; L97-I107 HydrophobicContact CD2-CB 4.34Å; L97-I107 HydrophobicContact CD2-CD1 4.1Å; A100-I107 HydrophobicContact CB-CD1 3.8Å; A100-I107 HydrophobicContact CB-CG1 3.69Å; I107-L128 HydrophobicContact CG2-CD1 3.98Å
108S96.4Very high94.8Very high4 Ų446.8 Ų46.83%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-77.2-52.9-177.2159.90000111.5R8 I448R8-S108 PolarHBondContact O-N 2.83Å; S108-I448 WeakPolarHBondContact OG-CG2 3.1Å; S108-I448 PolarHBondContact OG-O 2.75Å
109C98.2Very high94.9Very high0 Ų042.1 Ų42.10%019%0.193CC..EExtended strand (participates in β ladder)trans-157166.7-178.662.10000113.8I10 M129 F451I10-C109 PolarHBondContact N-O 2.81Å; C109-M129 VanDerWaalsContact CA-O 3.29Å; C109-M129 WeakPolarHBondContact CA-O 3.34Å; C109-M129 HydrophobicContact CB-CB 4.01Å; C109-M129 VanDerWaalsContact CB-O 3.27Å; C109-M129 WeakPolarHBondContact CB-O 3.47Å; C109-F451 HydrophobicContact CB-CD2 3.76Å; C109-F451 HydrophobicContact CB-CE2 3.84Å
110L98.6Very high95Very high0 Ų041.8 Ų41.80%019%0.188CC..EExtended strand (participates in β ladder)trans-96.9127.2160.2173.464.1000109.1I10 F12 L93 N112 L128 M129 R130 L131I10-L110 HydrophobicContact CB-CD1 4.06Å; I10-L110 HydrophobicContact CG2-CD1 3.71Å; I10-L110 CarbonylContact O-C 3.51Å; I10-L110 WeakPolarHBondContact O-CA 3.45Å; F12-L110 HydrophobicContact CB-CD1 4.19Å; L93-L110 HydrophobicContact CD1-CD2 4.27Å; L110-N112 HydrophobicContact CG-CB 4.37Å; L110-L128 HydrophobicContact CB-CD2 3.72Å; L110-L128 HydrophobicContact CB-CG 4.2Å; L110-M129 PolarHBondContact N-O 2.64Å; L110-R130 HydrophobicContact CD2-CG 4.48Å; L110-R130 CarbonylContact O-C 3.46Å; L110-R130 VanDerWaalsContact O-CA 3.28Å; L110-R130 WeakPolarHBondContact O-CA 3.48Å; L110-L131 PolarHBondContact O-N 3.5Å
111I98.6Very high95.1Very high0 Ų046.6 Ų46.60%021%0.21CC..EExtended strand (participates in β ladder)trans-111.2114.9166.9-48.6-176.4000107.5V9 I10 L11 F12 L26 L30 L131 F133 I207 I448V9-I111 HydrophobicContact CG1-CD1 3.74Å; V9-I111 HydrophobicContact CG1-CG1 3.83Å; I10-I111 PolarHBondContact O-N 2.91Å; L11-I111 CarbonylContact C-O 3.15Å; L11-I111 VanDerWaalsContact CA-O 3.27Å; L11-I111 WeakPolarHBondContact CA-O 3.45Å; L11-I111 HydrophobicContact CD2-CB 3.64Å; L11-I111 HydrophobicContact CD2-CD1 3.95Å; L11-I111 HydrophobicContact CD2-CG1 4.03Å; L11-I111 HydrophobicContact CD2-CG2 4.38Å; F12-I111 PolarHBondContact N-O 3Å; L26-I111 HydrophobicContact CD2-CD1 4.24Å; L26-I111 HydrophobicContact CD2-CG2 4.07Å; L30-I111 HydrophobicContact CD1-CD1 3.9Å; I111-L131 WeakPolarHBondContact CA-O 3.41Å; I111-L131 HydrophobicContact CD1-CD1 4.27Å; I111-L131 HydrophobicContact CG1-CB 4.15Å; I111-L131 HydrophobicContact CG1-CD1 4.29Å; I111-L131 HydrophobicContact CG2-CB 4.38Å; I111-F133 HydrophobicContact CG2-CB 3.79Å; I111-I207 HydrophobicContact CD1-CD1 3.99Å; I111-I207 HydrophobicContact CG2-CD1 3.84Å; I111-I448 HydrophobicContact CD1-CD1 3.98Å
112N98.4Very high95.3Very high0 Ų039.3 Ų39.30%018%0.178CC..EExtended strand (participates in β ladder)trans-124.8153.2-179.268.6-88.7000111.1F12 L110 S114 T119 R130 L131 F133F12-N112 HydrophobicContact CB-CB 4.01Å; F12-N112 HydrophobicContact CD1-CB 4.35Å; F12-N112 WeakPolarHBondContact O-CA 3.04Å; L110-N112 HydrophobicContact CG-CB 4.37Å; N112-S114 PolarHBondContact O-N 3.35Å; N112-T119 HydrophobicContact CB-CG2 4.36Å; N112-T119 VanDerWaalsContact CG-OG1 3.28Å; N112-T119 PolarHBondContact ND2-OG1 2.62Å; N112-T119 PolarHBondContact OD1-OG1 3.34Å; N112-R130 PolarHBondContact ND2-NH1 3.26Å; N112-R130 VanDerWaalsContact OD1-CD 3.24Å; N112-R130 WeakPolarHBondContact OD1-CD 3.4Å; N112-R130 WeakPolarHBondContact OD1-CG 3.41Å; N112-R130 PolarHBondContact OD1-NH1 3Å; N112-L131 PolarHBondContact N-O 2.93Å; N112-L131 VanDerWaalsContact N-O 3.15Å; N112-F133 PolarHBondContact O-N 2.88Å
113D97.4Very high95.6Very high2 Ų232.9 Ų32.91%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-56.8136169.5-167.7-66.4000110.3F12 L14 C19 G115 W116 F133F12-D113 PolarHBondContact O-N 3.33Å; L14-D113 HydrophobicContact CB-CB 4.13Å; L14-D113 VanDerWaalsContact CD1-OD1 3.3Å; L14-D113 WeakPolarHBondContact CD1-OD1 3.44Å; L14-D113 HydrophobicContact CG-CB 3.95Å; C19-D113 WeakPolarHBondContact CB-OD2 3.38Å; C19-D113 PolarHBondContact SG-OD2 2.88Å; D113-G115 PolarHBondContact O-N 3.18Å; D113-G115 VanDerWaalsContact O-N 3.1Å; D113-G115 PolarHBondContact OD1-N 2.93Å; D113-W116 WeakPolarHBondContact O-CB 3.2Å; D113-W116 PolarHBondContact O-N 3.14Å; D113-F133 CarbonylContact C-O 3.56Å; D113-F133 WeakPolarHBondContact CA-O 3.15Å
114S95.6Very high95.9Very high4 Ų434.9 Ų34.93%0.02816%0.155CC..THydrogen-bonded Turntrans-59.5-20.2-178.156.60000113.5N112 W116 F133 N134 Y136N112-S114 PolarHBondContact O-N 3.35Å; S114-W116 PolarHBondContact O-N 3.36Å; S114-F133 PolarHBondContact N-O 3.27Å; S114-N134 WeakPolarHBondContact CB-OD1 3.24Å; S114-N134 PolarHBondContact OG-OD1 3.44Å; S114-Y136 PolarHBondContact OG-OH 3.49Å
115G94.5Very high96.3Very high6 Ų628.7 Ų28.76%0.06214%0.137CC..THydrogen-bonded Turntrans-72.1-8.5173.300000115.3N82 D113 I117 Y192N82-G115 PolarHBondContact ND2-O 3.21Å; N82-G115 PolarHBondContact OD1-O 2.77Å; D113-G115 PolarHBondContact O-N 3.18Å; D113-G115 VanDerWaalsContact O-N 3.1Å; D113-G115 PolarHBondContact OD1-N 2.93Å; G115-I117 PolarHBondContact O-N 3.07Å; G115-Y192 PolarHBondContact O-OH 2.96Å; G115-Y192 VanDerWaalsContact O-OH 3.1Å
116W96.9Very high96.7Very high1 Ų128.1 Ų28.10%0.00414%0.135CC..  trans-87.777.6172.7-70.1126000112.2F12 P13 L14 T42 L81 C85 D113 S114 F118 T119F12-W116 AromaticContact CD1-CD1 3.57Å; F12-W116 HydrophobicContact CD1-CD2 4.24Å; F12-W116 AromaticContact CD1-CG 3.92Å; F12-W116 HydrophobicContact CD1-CG 3.92Å; F12-W116 AromaticContact CD1-NE1 3.64Å; F12-W116 AromaticContact CD2-NE1 3.92Å; F12-W116 HydrophobicContact CE1-CB 4.43Å; F12-W116 AromaticContact CE1-CD1 3.69Å; F12-W116 AromaticContact CE1-CD2 3.55Å; F12-W116 HydrophobicContact CE1-CD2 3.55Å; F12-W116 AromaticContact CE1-CE2 3.43Å; F12-W116 VanDerWaalsContact CE1-CE2 3.43Å; F12-W116 HydrophobicContact CE1-CE3 4.18Å; F12-W116 AromaticContact CE1-CG 3.69Å; F12-W116 HydrophobicContact CE1-CG 3.69Å; F12-W116 HydrophobicContact CE1-CH2 4.48Å; F12-W116 AromaticContact CE1-CZ2 3.94Å; F12-W116 HydrophobicContact CE1-CZ2 3.94Å; F12-W116 AromaticContact CE1-NE1 3.52Å; F12-W116 AromaticContact CE2-CE2 3.82Å; F12-W116 AromaticContact CE2-CZ2 3.7Å; F12-W116 HydrophobicContact CE2-CZ2 3.7Å; F12-W116 AromaticContact CE2-NE1 3.83Å; F12-W116 AromaticContact CG-NE1 3.84Å; F12-W116 AromaticContact CZ-CD2 3.85Å; F12-W116 HydrophobicContact CZ-CD2 3.85Å; F12-W116 AromaticContact CZ-CE2 3.31Å; F12-W116 HydrophobicContact CZ-CE3 4.33Å; F12-W116 HydrophobicContact CZ-CG 4.4Å; F12-W116 AromaticContact CZ-CH2 3.84Å; F12-W116 HydrophobicContact CZ-CH2 3.84Å; F12-W116 AromaticContact CZ-CZ2 3.3Å; F12-W116 HydrophobicContact CZ-CZ2 3.3Å; F12-W116 HydrophobicContact CZ-CZ3 4.32Å; F12-W116 AromaticContact CZ-NE1 3.63Å; P13-W116 VanDerWaalsContact C-NE1 3.29Å; P13-W116 PolarHBondContact O-NE1 3.28Å; L14-W116 HydrophobicContact CD2-CD2 3.98Å; L14-W116 HydrophobicContact CD2-CE3 4.36Å; L14-W116 HydrophobicContact CD2-CG 4.49Å; L14-W116 HydrophobicContact CD2-CH2 4.43Å; L14-W116 HydrophobicContact CD2-CZ2 4.03Å; T42-W116 HydrophobicContact CG2-CH2 4.12Å; T42-W116 HydrophobicContact CG2-CZ2 4.22Å; L81-W116 HydrophobicContact CB-CH2 3.76Å; L81-W116 HydrophobicContact CB-CZ3 3.7Å; L81-W116 HydrophobicContact CD1-CH2 4.39Å; L81-W116 HydrophobicContact CD2-CH2 4.3Å; L81-W116 HydrophobicContact CG-CH2 4.39Å; C85-W116 HydrophobicContact CB-CH2 4.17Å; C85-W116 HydrophobicContact CB-CZ3 4Å; D113-W116 WeakPolarHBondContact O-CB 3.2Å; D113-W116 PolarHBondContact O-N 3.14Å; S114-W116 PolarHBondContact O-N 3.36Å; W116-F118 HydrophobicContact CD2-CE1 4.28Å; W116-F118 HydrophobicContact CE3-CD1 4.25Å; W116-F118 AromaticContact CE3-CE1 3.39Å; W116-F118 HydrophobicContact CE3-CE1 3.39Å; W116-F118 HydrophobicContact CE3-CZ 4.04Å; W116-F118 AromaticContact CZ3-CE1 3.76Å; W116-F118 HydrophobicContact CZ3-CE1 3.76Å; W116-F118 HydrophobicContact CZ3-CZ 4.39Å; W116-F118 PolarHBondContact O-N 3.19Å; W116-T119 HydrophobicContact CB-CG2 3.62Å; W116-T119 HydrophobicContact CG-CG2 4.45Å; W116-T119 WeakPolarHBondContact O-CB 3.32Å; W116-T119 PolarHBondContact O-N 2.85Å; W116-T119 PolarHBondContact O-OG1 2.84Å
117I95.3Very high96.8Very high18 Ų1829.1 Ų29.19%0.09215%0.15CC..THydrogen-bonded Turntrans-59.9-42-171.8-61172.5000112.4N82 G115 T119 Y192 M195 I196 K199N82-I117 PolarHBondContact OD1-N 3.45Å; G115-I117 PolarHBondContact O-N 3.07Å; I117-T119 PolarHBondContact O-N 2.91Å; I117-T119 VanDerWaalsContact O-N 3.14Å; I117-Y192 HydrophobicContact CD1-CD2 3.83Å; I117-Y192 HydrophobicContact CD1-CE1 4.13Å; I117-Y192 HydrophobicContact CD1-CE2 3.25Å; I117-Y192 HydrophobicContact CD1-CG 4.42Å; I117-Y192 WeakPolarHBondContact CD1-OH 3.22Å; I117-Y192 HydrophobicContact CG1-CE2 4.49Å; I117-M195 HydrophobicContact CD1-CB 3.83Å; I117-M195 HydrophobicContact CD1-CE 4.35Å; I117-M195 HydrophobicContact CG2-CB 4.06Å; I117-I196 HydrophobicContact CD1-CG1 4.13Å; I117-I196 HydrophobicContact CG1-CG1 4.13Å; I117-K199 HydrophobicContact CG2-CG 3.63Å
118F96.1Very high96.8Very high14 Ų1428.6 Ų28.66%0.06115%0.148CC..THydrogen-bonded Turntrans-63.9-22.5-176.168.4-100.6000113.6F12 N82 C85 E86 V89 W116 Q120 H121 L122F12-F118 AromaticContact CE1-CZ 3.84Å; F12-F118 HydrophobicContact CE1-CZ 3.84Å; F12-F118 HydrophobicContact CZ-CZ 4.41Å; N82-F118 HydrophobicContact CB-CD1 4.29Å; N82-F118 VanDerWaalsContact O-CD1 3.27Å; N82-F118 WeakPolarHBondContact O-CD1 3.4Å; N82-F118 WeakPolarHBondContact OD1-CD1 3.42Å; C85-F118 HydrophobicContact CB-CE1 3.91Å; C85-F118 HydrophobicContact CB-CZ 3.83Å; E86-F118 HydrophobicContact CB-CB 4.24Å; E86-F118 HydrophobicContact CB-CD1 4.41Å; E86-F118 HydrophobicContact CB-CD2 3.88Å; E86-F118 HydrophobicContact CB-CE2 4.32Å; E86-F118 HydrophobicContact CB-CG 3.93Å; E86-F118 HydrophobicContact CG-CB 4.12Å; E86-F118 HydrophobicContact CG-CD2 3.81Å; E86-F118 HydrophobicContact CG-CG 4.11Å; V89-F118 HydrophobicContact CB-CE2 3.97Å; V89-F118 HydrophobicContact CB-CZ 4.3Å; V89-F118 HydrophobicContact CG1-CE2 4.19Å; V89-F118 HydrophobicContact CG2-CE2 4.11Å; V89-F118 HydrophobicContact CG2-CZ 3.92Å; W116-F118 HydrophobicContact CD2-CE1 4.28Å; W116-F118 HydrophobicContact CE3-CD1 4.25Å; W116-F118 AromaticContact CE3-CE1 3.39Å; W116-F118 HydrophobicContact CE3-CE1 3.39Å; W116-F118 HydrophobicContact CE3-CZ 4.04Å; W116-F118 AromaticContact CZ3-CE1 3.76Å; W116-F118 HydrophobicContact CZ3-CE1 3.76Å; W116-F118 HydrophobicContact CZ3-CZ 4.39Å; W116-F118 PolarHBondContact O-N 3.19Å; F118-Q120 PolarHBondContact O-N 2.94Å; F118-H121 PolarHBondContact O-N 3.17Å; F118-L122 HydrophobicContact CD2-CD2 4.29Å; F118-L122 HydrophobicContact CE2-CD2 4.17Å; F118-L122 PolarHBondContact O-N 3.18Å
119T97.6Very high96.9Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-64.1-25.4-173.159.30000113.1F12 N112 W116 I117 L122 A123F12-T119 HydrophobicContact CD1-CG2 4.11Å; F12-T119 HydrophobicContact CE1-CG2 4.29Å; N112-T119 HydrophobicContact CB-CG2 4.36Å; N112-T119 VanDerWaalsContact CG-OG1 3.28Å; N112-T119 PolarHBondContact ND2-OG1 2.62Å; N112-T119 PolarHBondContact OD1-OG1 3.34Å; W116-T119 HydrophobicContact CB-CG2 3.62Å; W116-T119 HydrophobicContact CG-CG2 4.45Å; W116-T119 WeakPolarHBondContact O-CB 3.32Å; W116-T119 PolarHBondContact O-N 2.85Å; W116-T119 PolarHBondContact O-OG1 2.84Å; I117-T119 PolarHBondContact O-N 2.91Å; I117-T119 VanDerWaalsContact O-N 3.14Å; T119-L122 PolarHBondContact O-N 3.44Å; T119-A123 VanDerWaalsContact O-CB 3.24Å; T119-A123 WeakPolarHBondContact O-CB 3.34Å; T119-A123 PolarHBondContact O-N 3.11Å
120Q96.8Very high96.9Very high23 Ų2332.4 Ų32.411%0.10717%0.166CC..Hα-helixtrans-63.4-50.8178.8178.560.944.300112.1F118 L122 K124 K199 A202F118-Q120 PolarHBondContact O-N 2.94Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-K124 WeakPolarHBondContact O-CB 3.5Å; Q120-K124 PolarHBondContact O-N 3.46Å; Q120-K199 HydrophobicContact CB-CB 3.94Å; Q120-K199 HydrophobicContact CB-CD 4.1Å; Q120-K199 HydrophobicContact CB-CG 4.23Å; Q120-K199 HydrophobicContact CG-CB 4.36Å; Q120-K199 HydrophobicContact CG-CD 4.17Å; Q120-K199 PolarHBondContact OE1-O 2.9Å; Q120-A202 HydrophobicContact CG-CB 3.97Å; Q120-A202 PolarHBondContact NE2-O 3.43Å; Q120-A202 PolarHBondContact OE1-O 3.38Å
121H95.4Very high96.9Very high106 Ų10632.4 Ų32.449%0.49117%0.166SC..Hα-helixtrans-67.4-37.7178.7-69.4-72.3000111.1F118 S125 K199F118-H121 PolarHBondContact O-N 3.17Å; H121-S125 WeakPolarHBondContact O-CB 3.26Å; H121-S125 PolarHBondContact O-N 2.95Å; H121-K199 WeakPolarHBondContact NE2-CE 3.2Å; H121-K199 PolarHBondContact NE2-NZ 2.82Å
122L97.1Very high96.8Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-62.4-52.9177.7177.555000112.2V89 R90 L93 F118 T119 Q120 K124 S125 L126V89-L122 HydrophobicContact CB-CD2 4.16Å; V89-L122 HydrophobicContact CG1-CD2 3.67Å; R90-L122 HydrophobicContact CB-CD1 3.6Å; R90-L122 HydrophobicContact CB-CD2 4.16Å; R90-L122 HydrophobicContact CG-CD1 3.58Å; L93-L122 HydrophobicContact CD1-CD2 3.8Å; L93-L122 HydrophobicContact CD1-CG 4.01Å; F118-L122 HydrophobicContact CD2-CD2 4.29Å; F118-L122 HydrophobicContact CE2-CD2 4.17Å; F118-L122 PolarHBondContact O-N 3.18Å; T119-L122 PolarHBondContact O-N 3.44Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.43Å; L122-S125 PolarHBondContact O-N 3.35Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-S125 PolarHBondContact O-OG 3.23Å; L122-L126 HydrophobicContact CD1-CD1 3.77Å; L122-L126 HydrophobicContact CD1-CG 4.22Å; L122-L126 HydrophobicContact CG-CD1 4.27Å; L122-L126 WeakPolarHBondContact O-CG 3.3Å; L122-L126 PolarHBondContact O-N 3.04Å; L122-L126 VanDerWaalsContact O-N 3.14Å
123A97.6Very high96.8Very high1 Ų132.4 Ų32.41%0.00817%0.166CC..Hα-helixtrans-59-43.2179.700000111.6T119 S125 L126 N127 L128 R130T119-A123 VanDerWaalsContact O-CB 3.24Å; T119-A123 WeakPolarHBondContact O-CB 3.34Å; T119-A123 PolarHBondContact O-N 3.11Å; A123-S125 PolarHBondContact O-N 2.96Å; A123-L126 CarbonylContact O-C 3.57Å; A123-L126 PolarHBondContact O-N 3.46Å; A123-L126 VanDerWaalsContact O-N 3.16Å; A123-N127 PolarHBondContact O-N 3.13Å; A123-N127 VanDerWaalsContact O-N 3.12Å; A123-L128 PolarHBondContact O-N 3.41Å; A123-R130 HydrophobicContact CB-CB 3.84Å; A123-R130 HydrophobicContact CB-CG 4.19Å
124K96.8Very high96.7Very high158 Ų15832.3 Ų32.369%0.68717%0.165SC*.Hα-helixtrans-58.7-45.9173.9-173.6177.2-178.8178.20112.1Q120 L122 L126 N127Q120-K124 WeakPolarHBondContact O-CB 3.5Å; Q120-K124 PolarHBondContact O-N 3.46Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.43Å; K124-L126 PolarHBondContact O-N 2.95Å; K124-N127 PolarHBondContact O-N 3.37Å; K124-N127 VanDerWaalsContact O-N 3.15Å
125S97.2Very high96.4Very high69 Ų6932.9 Ų32.948%0.48317%0.168SC..Hα-helixtrans-64.3-21.8179.573.50000113.9R90 H121 L122 A123R90-S125 PolarHBondContact NH1-OG 3.36Å; H121-S125 WeakPolarHBondContact O-CB 3.26Å; H121-S125 PolarHBondContact O-N 2.95Å; L122-S125 PolarHBondContact O-N 3.35Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-S125 PolarHBondContact O-OG 3.23Å; A123-S125 PolarHBondContact O-N 2.96Å
126L96.6Very high96.3Very high34 Ų3433.9 Ų33.918%0.17817%0.17CC..THydrogen-bonded Turntrans-101.84.4179.2-63.7177.2000113.1L93 R94 L97 L122 A123 K124 L128L93-L126 HydrophobicContact CB-CD1 3.6Å; L93-L126 HydrophobicContact CD1-CD1 4Å; L93-L126 HydrophobicContact CG-CD1 4.47Å; R94-L126 HydrophobicContact CG-CD2 3.85Å; L97-L126 HydrophobicContact CD1-CB 3.87Å; L97-L126 HydrophobicContact CD1-CD1 4.1Å; L97-L126 HydrophobicContact CD1-CD2 4.43Å; L97-L126 HydrophobicContact CD1-CG 4.36Å; L122-L126 HydrophobicContact CD1-CD1 3.77Å; L122-L126 HydrophobicContact CD1-CG 4.22Å; L122-L126 HydrophobicContact CG-CD1 4.27Å; L122-L126 WeakPolarHBondContact O-CG 3.3Å; L122-L126 PolarHBondContact O-N 3.04Å; L122-L126 VanDerWaalsContact O-N 3.14Å; A123-L126 CarbonylContact O-C 3.57Å; A123-L126 PolarHBondContact O-N 3.46Å; A123-L126 VanDerWaalsContact O-N 3.16Å; K124-L126 PolarHBondContact O-N 2.95Å; L126-L128 HydrophobicContact CB-CB 4.48Å; L126-L128 PolarHBondContact O-N 3.03Å
127N95.6Very high96.1Very high150 Ų15033.8 Ų33.880%0.80217%0.17SC*.THydrogen-bonded Turntrans51.936.1-172.6-61.2-50.3000113.3A123 K124A123-N127 PolarHBondContact O-N 3.13Å; A123-N127 VanDerWaalsContact O-N 3.12Å; K124-N127 PolarHBondContact O-N 3.37Å; K124-N127 VanDerWaalsContact O-N 3.15Å
128L96.9Very high95.9Very high11 Ų1133 Ų336%0.05817%0.166CC..  trans-101.6128.2179.4-175.459.7000109.5L93 L97 I107 L110 A123 L126L93-L128 HydrophobicContact CD2-CD2 4.37Å; L97-L128 HydrophobicContact CD2-CD1 4.46Å; I107-L128 HydrophobicContact CG2-CD1 3.98Å; L110-L128 HydrophobicContact CB-CD2 3.72Å; L110-L128 HydrophobicContact CB-CG 4.2Å; A123-L128 PolarHBondContact O-N 3.41Å; L126-L128 HydrophobicContact CB-CB 4.48Å; L126-L128 PolarHBondContact O-N 3.03Å
129M97.9Very high95.8Very high77 Ų7732.3 Ų32.338%0.37916%0.163SC..EExtended strand (participates in β ladder)trans-63.1140.3173.1-67.2-60.1109.600110.1C109 L110 F451C109-M129 VanDerWaalsContact CA-O 3.29Å; C109-M129 WeakPolarHBondContact CA-O 3.34Å; C109-M129 HydrophobicContact CB-CB 4.01Å; C109-M129 VanDerWaalsContact CB-O 3.27Å; C109-M129 WeakPolarHBondContact CB-O 3.47Å; L110-M129 PolarHBondContact N-O 2.64Å; M129-F451 HydrophobicContact CB-CD1 4.4Å; M129-F451 HydrophobicContact CB-CD2 3.54Å; M129-F451 HydrophobicContact CB-CE1 4.42Å; M129-F451 HydrophobicContact CB-CE2 3.56Å; M129-F451 HydrophobicContact CB-CG 3.96Å; M129-F451 HydrophobicContact CB-CZ 4.01Å; M129-F451 HydrophobicContact CG-CB 4.09Å; M129-F451 HydrophobicContact CG-CD1 3.85Å; M129-F451 HydrophobicContact CG-CD2 3.82Å; M129-F451 HydrophobicContact CG-CE1 4.12Å; M129-F451 HydrophobicContact CG-CE2 4.09Å; M129-F451 HydrophobicContact CG-CG 3.67Å; M129-F451 HydrophobicContact CG-CZ 4.21Å; M129-F451 HydrophobicContact SD-CE1 4.49Å
130R98Very high95.6Very high7 Ų734 Ų343%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-127.1123.4-175.2-166.2-172.676.783.9-6.2111.2L110 N112 A123 K199 S204L110-R130 HydrophobicContact CD2-CG 4.48Å; L110-R130 CarbonylContact O-C 3.46Å; L110-R130 VanDerWaalsContact O-CA 3.28Å; L110-R130 WeakPolarHBondContact O-CA 3.48Å; N112-R130 PolarHBondContact ND2-NH1 3.26Å; N112-R130 VanDerWaalsContact OD1-CD 3.24Å; N112-R130 WeakPolarHBondContact OD1-CD 3.4Å; N112-R130 WeakPolarHBondContact OD1-CG 3.41Å; N112-R130 PolarHBondContact OD1-NH1 3Å; A123-R130 HydrophobicContact CB-CB 3.84Å; A123-R130 HydrophobicContact CB-CG 4.19Å; R130-K199 PolarHBondContact NH2-O 3.48Å; R130-S204 PolarHBondContact N-OG 2.75Å; R130-S204 WeakPolarHBondContact O-CA 3.26Å; R130-S204 VanDerWaalsContact O-CB 3.31Å; R130-S204 WeakPolarHBondContact O-CB 3.42Å; R130-S204 PolarHBondContact O-N 2.98Å; R130-S204 PolarHBondContact O-OG 2.86Å
131L98.4Very high95.3Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-105.9133.9169.4-57.6176.3000109.6L110 I111 N112 G205 I207 L444 Y447 I448 F451L110-L131 PolarHBondContact O-N 3.5Å; I111-L131 WeakPolarHBondContact CA-O 3.41Å; I111-L131 HydrophobicContact CD1-CD1 4.27Å; I111-L131 HydrophobicContact CG1-CB 4.15Å; I111-L131 HydrophobicContact CG1-CD1 4.29Å; I111-L131 HydrophobicContact CG2-CB 4.38Å; N112-L131 PolarHBondContact N-O 2.93Å; N112-L131 VanDerWaalsContact N-O 3.15Å; L131-G205 WeakPolarHBondContact CA-O 3.44Å; L131-I207 HydrophobicContact CB-CD1 4.03Å; L131-I207 HydrophobicContact CD1-CD1 4.03Å; L131-L444 HydrophobicContact CD1-CD1 3.8Å; L131-Y447 HydrophobicContact CD2-CD1 4.45Å; L131-Y447 HydrophobicContact CD2-CE1 4.16Å; L131-I448 HydrophobicContact CD1-CD1 3.96Å; L131-I448 HydrophobicContact CD1-CG1 3.69Å; L131-F451 HydrophobicContact CD1-CE2 4.46Å; L131-F451 HydrophobicContact CD2-CE2 4.44Å; L131-F451 HydrophobicContact CD2-CZ 4.28Å; L131-F451 HydrophobicContact CG-CE2 4.42Å
132A97.5Very high95.1Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-89.7120.2175.200000109.6N134 T200 G205 L206 I207A132-N134 PolarHBondContact O-ND2 3.27Å; A132-T200 HydrophobicContact CB-CG2 3.91Å; A132-G205 PolarHBondContact N-O 2.93Å; A132-L206 HydrophobicContact CB-CD2 3.9Å; A132-L206 WeakPolarHBondContact O-CA 3.46Å; A132-I207 PolarHBondContact O-N 3.31Å
133F97.3Very high94.7Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-96.8128.1176.6-177.2-110.8000110.1P22 M23 L26 I111 N112 D113 S114 T135 I207 M209P22-F133 HydrophobicContact CB-CE1 3.92Å; P22-F133 HydrophobicContact CB-CZ 3.76Å; M23-F133 HydrophobicContact CB-CE1 4.26Å; M23-F133 HydrophobicContact CE-CB 3.98Å; M23-F133 HydrophobicContact CE-CD1 3.52Å; M23-F133 HydrophobicContact CE-CE1 4.27Å; M23-F133 HydrophobicContact CE-CG 4.01Å; M23-F133 HydrophobicContact SD-CD1 4.08Å; M23-F133 HydrophobicContact SD-CE1 4.41Å; M23-F133 HydrophobicContact SD-CG 4.42Å; L26-F133 HydrophobicContact CB-CE2 4.38Å; L26-F133 HydrophobicContact CB-CZ 4.48Å; L26-F133 HydrophobicContact CD2-CD2 3.76Å; L26-F133 HydrophobicContact CD2-CE2 3.8Å; L26-F133 HydrophobicContact CD2-CG 4.45Å; L26-F133 HydrophobicContact CD2-CZ 4.49Å; I111-F133 HydrophobicContact CG2-CB 3.79Å; N112-F133 PolarHBondContact O-N 2.88Å; D113-F133 CarbonylContact C-O 3.56Å; D113-F133 WeakPolarHBondContact CA-O 3.15Å; S114-F133 PolarHBondContact N-O 3.27Å; F133-T135 HydrophobicContact CD1-CG2 3.82Å; F133-T135 HydrophobicContact CE1-CG2 3.49Å; F133-T135 VanDerWaalsContact CE1-CG2 3.49Å; F133-T135 HydrophobicContact CZ-CG2 4.46Å; F133-I207 HydrophobicContact CD2-CB 3.86Å; F133-I207 HydrophobicContact CD2-CG2 3.62Å; F133-I207 HydrophobicContact CE2-CG2 3.92Å; F133-M209 HydrophobicContact CE1-CG 4.31Å; F133-M209 HydrophobicContact CE2-CG 3.5Å; F133-M209 VanDerWaalsContact CE2-CG 3.5Å; F133-M209 HydrophobicContact CE2-SD 3.52Å; F133-M209 VanDerWaalsContact CE2-SD 3.52Å; F133-M209 HydrophobicContact CZ-CG 3.28Å; F133-M209 HydrophobicContact CZ-SD 3.59Å; F133-M209 VanDerWaalsContact CZ-SD 3.59Å
134N94.8Very high94.3Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-115.9118.7-178.7-58.1-88.4000108.4S114 A132 Y136 F141 I207 F208 M209S114-N134 WeakPolarHBondContact CB-OD1 3.24Å; S114-N134 PolarHBondContact OG-OD1 3.44Å; A132-N134 PolarHBondContact O-ND2 3.27Å; N134-Y136 HydrophobicContact CB-CD2 4.38Å; N134-Y136 HydrophobicContact CB-CE2 4.25Å; N134-Y136 PolarHBondContact O-N 2.96Å; N134-F141 VanDerWaalsContact OD1-CD2 3.31Å; N134-F141 WeakPolarHBondContact OD1-CD2 3.43Å; N134-I207 PolarHBondContact N-O 3.4Å; N134-I207 PolarHBondContact ND2-O 3.07Å; N134-F208 HydrophobicContact CB-CD1 3.44Å; N134-F208 VanDerWaalsContact CB-CD1 3.44Å; N134-F208 HydrophobicContact CB-CE1 3.37Å; N134-F208 HydrophobicContact CB-CG 4.24Å; N134-F208 HydrophobicContact CB-CZ 4.14Å; N134-M209 PolarHBondContact O-N 2.84Å
135T90.6Very high93.8Very high15 Ų1524.4 Ų24.49%0.09213%0.127CC..SBendtrans-86.63.4-179.958.90000112.5C19 P22 F133C19-T135 HydrophobicContact CB-CG2 4.08Å; P22-T135 HydrophobicContact CB-CG2 4.31Å; P22-T135 HydrophobicContact CG-CG2 4.26Å; F133-T135 HydrophobicContact CD1-CG2 3.82Å; F133-T135 HydrophobicContact CE1-CG2 3.49Å; F133-T135 VanDerWaalsContact CE1-CG2 3.49Å; F133-T135 HydrophobicContact CZ-CG2 4.46Å
136Y91.8Very high93.3Very high27 Ų2721.5 Ų21.511%0.10611%0.106CC..SBendtrans-118.9166.2176.347.4-100.2000110.3S114 N134 F140 F141 H144 F208S114-Y136 PolarHBondContact OG-OH 3.49Å; N134-Y136 HydrophobicContact CB-CD2 4.38Å; N134-Y136 HydrophobicContact CB-CE2 4.25Å; N134-Y136 PolarHBondContact O-N 2.96Å; Y136-F140 HydrophobicContact CD1-CD1 4.34Å; Y136-F140 HydrophobicContact CD2-CB 4.25Å; Y136-F140 AromaticContact CD2-CD1 3.52Å; Y136-F140 HydrophobicContact CD2-CD1 3.52Å; Y136-F140 HydrophobicContact CD2-CE1 4.41Å; Y136-F140 HydrophobicContact CD2-CG 4.37Å; Y136-F140 AromaticContact CE2-CD1 3.95Å; Y136-F140 HydrophobicContact CE2-CD1 3.95Å; Y136-F140 AromaticContact CG-CD1 3.68Å; Y136-F140 HydrophobicContact CG-CD1 3.68Å; Y136-F140 HydrophobicContact CG-CE1 4.34Å; Y136-F141 HydrophobicContact CD2-CB 4.36Å; Y136-F141 HydrophobicContact CE2-CB 3.81Å; Y136-F141 AromaticContact CE2-CD2 3.69Å; Y136-F141 HydrophobicContact CE2-CD2 3.69Å; Y136-F141 HydrophobicContact CE2-CG 4.23Å; Y136-H144 AromaticContact CZ-NE2 3.9Å; Y136-H144 PolarHBondContact OH-NE2 3.43Å; Y136-F208 WeakPolarHBondContact O-CD1 3.46Å
137K92Very high92.9Very high0 Ų020.5 Ų20.50%010%0.101CC..  trans-63.2152.2-178.6-169.7179.2-176.5-165.10112.5S139 F140 F141 L214 D215 W352 F380K137-S139 VanDerWaalsContact C-N 3.31Å; K137-S139 WeakPolarHBondContact CE-OG 3.49Å; K137-S139 PolarHBondContact NZ-OG 3.2Å; K137-S139 PolarHBondContact O-N 3.4Å; K137-F140 WeakPolarHBondContact O-CB 3.19Å; K137-F140 PolarHBondContact O-N 3Å; K137-F141 PolarHBondContact O-N 2.7Å; K137-L214 WeakPolarHBondContact CE-O 3.4Å; K137-L214 PolarHBondContact NZ-O 3.41Å; K137-D215 WeakPolarHBondContact CE-OD1 3.36Å; K137-D215 WeakPolarHBondContact CE-OD2 3.46Å; K137-D215 WeakPolarHBondContact CG-OD2 3.34Å; K137-D215 IonicContact NZ-OD1 3.33Å; K137-W352 HydrophobicContact CB-CD2 3.89Å; K137-W352 HydrophobicContact CB-CE3 3.89Å; K137-W352 HydrophobicContact CB-CG 4.5Å; K137-W352 HydrophobicContact CB-CH2 4.27Å; K137-W352 HydrophobicContact CB-CZ2 4.26Å; K137-W352 HydrophobicContact CB-CZ3 4.09Å; K137-W352 HydrophobicContact CD-CE3 4.28Å; K137-W352 HydrophobicContact CD-CH2 3.91Å; K137-W352 HydrophobicContact CD-CZ3 3.71Å; K137-W352 HydrophobicContact CG-CE3 4.36Å; K137-W352 HydrophobicContact CG-CH2 3.96Å; K137-W352 HydrophobicContact CG-CZ2 4.21Å; K137-W352 HydrophobicContact CG-CZ3 4.05Å; K137-F380 HydrophobicContact CD-CD2 4.46Å; K137-F380 HydrophobicContact CD-CE2 4.49Å; K137-F380 VanDerWaalsContact NZ-CE2 3.33Å; K137-F380 VanDerWaalsContact NZ-CG 3.34Å
138I92.6Very high92.4Very high0 Ų013.5 Ų13.50%06%0.063CC..Hα-helixtrans-65.2-39177.2-60.5163.8000110.4F140 F141 R142 F208 D215 L219 S222 I230 A232I138-F140 PolarHBondContact O-N 3.43Å; I138-F141 WeakPolarHBondContact O-CB 2.99Å; I138-F141 PolarHBondContact O-N 2.88Å; I138-R142 PolarHBondContact O-N 3.28Å; I138-F208 HydrophobicContact CB-CD1 4.25Å; I138-F208 HydrophobicContact CB-CE1 4.2Å; I138-F208 HydrophobicContact CB-CZ 4.46Å; I138-F208 HydrophobicContact CD1-CB 3.89Å; I138-F208 HydrophobicContact CD1-CD1 4.23Å; I138-F208 HydrophobicContact CD1-CD2 3.78Å; I138-F208 HydrophobicContact CD1-CE2 4.32Å; I138-F208 HydrophobicContact CD1-CG 3.71Å; I138-F208 HydrophobicContact CG1-CB 3.77Å; I138-F208 HydrophobicContact CG1-CD1 3.23Å; I138-F208 HydrophobicContact CG1-CD2 3.51Å; I138-F208 HydrophobicContact CG1-CE1 3.55Å; I138-F208 HydrophobicContact CG1-CE2 3.79Å; I138-F208 HydrophobicContact CG1-CG 3.2Å; I138-F208 HydrophobicContact CG1-CZ 3.82Å; I138-F208 HydrophobicContact CG2-CZ 4.47Å; I138-D215 WeakPolarHBondContact CA-OD2 3.25Å; I138-D215 WeakPolarHBondContact CB-OD2 3.32Å; I138-D215 PolarHBondContact N-OD2 3.17Å; I138-L219 HydrophobicContact CD1-CD1 3.95Å; I138-L219 HydrophobicContact CD1-CD2 3.22Å; I138-L219 HydrophobicContact CD1-CG 3.36Å; I138-S222 WeakPolarHBondContact CG2-OG 3.41Å; I138-I230 HydrophobicContact CD1-CG2 4.46Å; I138-A232 HydrophobicContact CD1-CB 4.39Å
139S92.8Very high91.8Very high1 Ų116.8 Ų16.81%0.0078%0.079CC..Hα-helixtrans-52.2-41.5170.9-47.70000111.7K137 R142 F170 D215 S218 F380K137-S139 VanDerWaalsContact C-N 3.31Å; K137-S139 WeakPolarHBondContact CE-OG 3.49Å; K137-S139 PolarHBondContact NZ-OG 3.2Å; K137-S139 PolarHBondContact O-N 3.4Å; S139-R142 PolarHBondContact O-N 3.21Å; S139-F170 WeakPolarHBondContact O-CE2 3.5Å; S139-F170 VanDerWaalsContact O-CZ 3.25Å; S139-F170 WeakPolarHBondContact O-CZ 3.39Å; S139-D215 PolarHBondContact N-OD1 3.34Å; S139-D215 PolarHBondContact OG-OD1 2.99Å; S139-S218 WeakPolarHBondContact CA-OG 3.44Å; S139-S218 WeakPolarHBondContact CB-OG 3.26Å; S139-S218 PolarHBondContact OG-OG 3.42Å; S139-S218 VanDerWaalsContact OG-OG 3.05Å; S139-F380 WeakPolarHBondContact OG-CZ 3.3Å
140F93.3Very high91.3Very high34 Ų3413.9 Ų13.915%0.1496%0.064CC..Hα-helixtrans-70.5-37.3177.4-175.9-106.3000112.2Y136 K137 I138 R142 S143 W372 D373 L376Y136-F140 HydrophobicContact CD1-CD1 4.34Å; Y136-F140 HydrophobicContact CD2-CB 4.25Å; Y136-F140 AromaticContact CD2-CD1 3.52Å; Y136-F140 HydrophobicContact CD2-CD1 3.52Å; Y136-F140 HydrophobicContact CD2-CE1 4.41Å; Y136-F140 HydrophobicContact CD2-CG 4.37Å; Y136-F140 AromaticContact CE2-CD1 3.95Å; Y136-F140 HydrophobicContact CE2-CD1 3.95Å; Y136-F140 AromaticContact CG-CD1 3.68Å; Y136-F140 HydrophobicContact CG-CD1 3.68Å; Y136-F140 HydrophobicContact CG-CE1 4.34Å; K137-F140 WeakPolarHBondContact O-CB 3.19Å; K137-F140 PolarHBondContact O-N 3Å; I138-F140 PolarHBondContact O-N 3.43Å; F140-R142 PolarHBondContact O-N 3.06Å; F140-S143 WeakPolarHBondContact O-CB 3.45Å; F140-S143 PolarHBondContact O-N 3.28Å; F140-S143 PolarHBondContact O-OG 3.02Å; F140-W372 VanDerWaalsContact CE2-C 3.42Å; F140-W372 WeakPolarHBondContact CE2-O 3.46Å; F140-W372 HydrophobicContact CZ-CB 4.24Å; F140-D373 HydrophobicContact CB-CB 4.05Å; F140-D373 HydrophobicContact CD1-CB 3.86Å; F140-D373 HydrophobicContact CD2-CB 3.57Å; F140-D373 HydrophobicContact CE1-CB 4.19Å; F140-D373 VanDerWaalsContact CE2-CA 3.45Å; F140-D373 HydrophobicContact CE2-CB 3.92Å; F140-D373 HydrophobicContact CG-CB 3.52Å; F140-D373 HydrophobicContact CZ-CB 4.21Å; F140-L376 HydrophobicContact CB-CD2 3.99Å; F140-L376 HydrophobicContact CD2-CD2 4.25Å
141F92.1Very high90.6Very high0 Ų016.2 Ų16.20%07%0.073CC..Hα-helixtrans-56.9-40.2173.6-170.2-76.4000111.6N134 Y136 K137 I138 S143 H144 F145 I196 L197 T200 F208 F226N134-F141 VanDerWaalsContact OD1-CD2 3.31Å; N134-F141 WeakPolarHBondContact OD1-CD2 3.43Å; Y136-F141 HydrophobicContact CD2-CB 4.36Å; Y136-F141 HydrophobicContact CE2-CB 3.81Å; Y136-F141 AromaticContact CE2-CD2 3.69Å; Y136-F141 HydrophobicContact CE2-CD2 3.69Å; Y136-F141 HydrophobicContact CE2-CG 4.23Å; K137-F141 PolarHBondContact O-N 2.7Å; I138-F141 WeakPolarHBondContact O-CB 2.99Å; I138-F141 PolarHBondContact O-N 2.88Å; F141-S143 PolarHBondContact O-N 3.31Å; F141-S143 VanDerWaalsContact O-N 3.11Å; F141-H144 AromaticContact CD2-CD2 3.99Å; F141-H144 WeakPolarHBondContact O-CB 3.24Å; F141-H144 PolarHBondContact O-CD2 3.41Å; F141-H144 PolarHBondContact O-N 3.02Å; F141-F145 AromaticContact CD1-CE2 3.81Å; F141-F145 HydrophobicContact CD1-CE2 3.81Å; F141-F145 HydrophobicContact CE1-CD2 4.37Å; F141-F145 AromaticContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CZ 4.36Å; F141-I196 HydrophobicContact CE2-CG2 4.23Å; F141-L197 HydrophobicContact CE1-CD1 3.8Å; F141-L197 HydrophobicContact CZ-CD1 4.21Å; F141-T200 HydrophobicContact CE2-CG2 3.55Å; F141-T200 HydrophobicContact CZ-CG2 3.55Å; F141-F208 HydrophobicContact CB-CE1 3.86Å; F141-F208 HydrophobicContact CB-CZ 4.03Å; F141-F208 HydrophobicContact CD2-CE1 4.29Å; F141-F208 HydrophobicContact CD2-CZ 4.14Å; F141-F208 HydrophobicContact CG-CE1 4.24Å; F141-F208 HydrophobicContact CG-CZ 4.02Å; F141-F226 HydrophobicContact CD1-CE2 4.31Å; F141-F226 AromaticContact CD1-CZ 3.85Å; F141-F226 HydrophobicContact CD1-CZ 3.85Å; F141-F226 HydrophobicContact CE1-CE1 4.22Å; F141-F226 HydrophobicContact CE1-CE2 4.27Å; F141-F226 AromaticContact CE1-CZ 3.39Å; F141-F226 HydrophobicContact CE1-CZ 3.39Å; F141-F226 HydrophobicContact CZ-CZ 4.06Å
142R90.6Very high89.9Confident33 Ų3324.2 Ų24.213%0.12510%0.103CC..Hα-helixtrans-60.3-21.6177.3-68.1-168.171.1-112.8-2.1113.1I138 S139 F140 H144 F145 V146 F170I138-R142 PolarHBondContact O-N 3.28Å; S139-R142 PolarHBondContact O-N 3.21Å; F140-R142 PolarHBondContact O-N 3.06Å; R142-H144 PolarHBondContact O-N 3.2Å; R142-F145 WeakPolarHBondContact O-CB 3.38Å; R142-F145 PolarHBondContact O-N 3.18Å; R142-V146 PolarHBondContact O-N 3.21Å; R142-F170 HydrophobicContact CB-CE2 4.01Å
143S89.3Confident89.1Confident5 Ų528.2 Ų28.24%0.03512%0.122CC..Hα-helixtrans-59.2-30.5174.381.70000112.3F140 F141 F145 V146 L147F140-S143 WeakPolarHBondContact O-CB 3.45Å; F140-S143 PolarHBondContact O-N 3.28Å; F140-S143 PolarHBondContact O-OG 3.02Å; F141-S143 PolarHBondContact O-N 3.31Å; F141-S143 VanDerWaalsContact O-N 3.11Å; S143-F145 PolarHBondContact O-N 3.43Å; S143-V146 PolarHBondContact O-N 3.28Å; S143-L147 VanDerWaalsContact O-CB 3.3Å; S143-L147 WeakPolarHBondContact O-CB 3.31Å; S143-L147 WeakPolarHBondContact O-CG 3.49Å; S143-L147 PolarHBondContact O-N 2.85Å
144H88.3Confident87.8Confident11 Ų1131.7 Ų31.75%0.05114%0.139CC..Hα-helixtrans-64.2-23175.4-58.9-53.9000113.5Y136 F141 R142 S193 L197Y136-H144 AromaticContact CZ-NE2 3.9Å; Y136-H144 PolarHBondContact OH-NE2 3.43Å; F141-H144 AromaticContact CD2-CD2 3.99Å; F141-H144 WeakPolarHBondContact O-CB 3.24Å; F141-H144 PolarHBondContact O-CD2 3.41Å; F141-H144 PolarHBondContact O-N 3.02Å; R142-H144 PolarHBondContact O-N 3.2Å; H144-S193 PolarHBondContact ND1-OG 3.37Å; H144-L197 HydrophobicContact CB-CB 4.2Å
145F86.3Confident85.9Confident38 Ų3840.2 Ų40.217%0.16718%0.176CC..Hα-helixtrans-86.2-47.2173.2-61.8-112.8000111F141 R142 S143 L197 K201 D225 F226F141-F145 AromaticContact CD1-CE2 3.81Å; F141-F145 HydrophobicContact CD1-CE2 3.81Å; F141-F145 HydrophobicContact CE1-CD2 4.37Å; F141-F145 AromaticContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CZ 4.36Å; R142-F145 WeakPolarHBondContact O-CB 3.38Å; R142-F145 PolarHBondContact O-N 3.18Å; S143-F145 PolarHBondContact O-N 3.43Å; F145-L197 HydrophobicContact CB-CD2 4.47Å; F145-L197 HydrophobicContact CD1-CD1 4.01Å; F145-L197 HydrophobicContact CD1-CD2 3.8Å; F145-L197 HydrophobicContact CD2-CD1 3.75Å; F145-L197 HydrophobicContact CD2-CD2 4.2Å; F145-L197 HydrophobicContact CE1-CD1 3.64Å; F145-L197 HydrophobicContact CE1-CD2 4.2Å; F145-L197 HydrophobicContact CE2-CD1 3.34Å; F145-L197 HydrophobicContact CG-CD1 4.09Å; F145-L197 HydrophobicContact CG-CD2 3.83Å; F145-L197 HydrophobicContact CZ-CD1 3.28Å; F145-K201 VanDerWaalsContact CE1-NZ 3.26Å; F145-D225 HydrophobicContact CE1-CB 3.94Å; F145-D225 HydrophobicContact CZ-CB 3.95Å; F145-F226 HydrophobicContact CE2-CE2 4.22Å; F145-F226 AromaticContact CE2-CZ 3.93Å; F145-F226 HydrophobicContact CE2-CZ 3.93Å; F145-F226 HydrophobicContact CZ-CE1 4.31Å; F145-F226 AromaticContact CZ-CE2 3.92Å; F145-F226 HydrophobicContact CZ-CE2 3.92Å; F145-F226 AromaticContact CZ-CZ 3.64Å; F145-F226 HydrophobicContact CZ-CZ 3.64Å
146V87.3Confident84.4Confident9 Ų946.2 Ų46.26%0.05521%0.207CC..Hα-helixtrans-85.8-36.7-163.1-176.20000111.8R142 S143 Q149 L150 K169 F170R142-V146 PolarHBondContact O-N 3.21Å; S143-V146 PolarHBondContact O-N 3.28Å; V146-Q149 WeakPolarHBondContact O-CB 3.44Å; V146-Q149 PolarHBondContact O-N 3.23Å; V146-L150 HydrophobicContact CG1-CD1 3.6Å; V146-L150 HydrophobicContact CG1-CG 3.85Å; V146-L150 WeakPolarHBondContact O-CB 3.48Å; V146-L150 VanDerWaalsContact O-CG 3.32Å; V146-L150 WeakPolarHBondContact O-CG 3.41Å; V146-L150 PolarHBondContact O-N 2.95Å; V146-K169 HydrophobicContact CG1-CB 4.01Å; V146-F170 HydrophobicContact CB-CD2 4.36Å; V146-F170 HydrophobicContact CB-CG 4.46Å; V146-F170 HydrophobicContact CG1-CB 3.95Å; V146-F170 HydrophobicContact CG1-CG 4.29Å; V146-F170 HydrophobicContact CG2-CD2 4.28Å
147L86.8Confident83.5Confident13 Ų1350.6 Ų50.67%0.06824%0.239CC..Hα-helixtrans-65.4-45.4-177.5-64.7177.6000113.2S143 Q149 L150 R151 L178 I181S143-L147 VanDerWaalsContact O-CB 3.3Å; S143-L147 WeakPolarHBondContact O-CB 3.31Å; S143-L147 WeakPolarHBondContact O-CG 3.49Å; S143-L147 PolarHBondContact O-N 2.85Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 3.26Å; L147-L150 PolarHBondContact O-N 2.82Å; L147-R151 WeakPolarHBondContact O-CB 3.39Å; L147-R151 PolarHBondContact O-N 3Å; L147-L178 HydrophobicContact CD2-CD1 3.56Å; L147-I181 HydrophobicContact CD1-CG2 3.79Å; L147-I181 HydrophobicContact CD2-CG2 4.26Å
148P85.2Confident82.7Confident2 Ų252.5 Ų52.51%0.01325%0.249CC..Hα-helixtrans-62.2-34.4175.5-24.235.5000112.6R152 D190P148-R152 VanDerWaalsContact O-CG 3.31Å; P148-R152 WeakPolarHBondContact O-CG 3.43Å; P148-R152 PolarHBondContact O-N 2.95Å; P148-D190 HydrophobicContact CB-CB 4.4Å; P148-D190 HydrophobicContact CG-CB 4.34Å
149Q85.9Confident82.2Confident81 Ų8158.5 Ų58.538%0.37928%0.277SS..Hα-helixtrans-66.2-51.6173.8176.6178.2-0.700111V146 L147 R151 R152 E153 K169V146-Q149 WeakPolarHBondContact O-CB 3.44Å; V146-Q149 PolarHBondContact O-N 3.23Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 3.26Å; Q149-R151 VanDerWaalsContact C-N 3.32Å; Q149-R151 PolarHBondContact O-N 3.47Å; Q149-R152 WeakPolarHBondContact O-CB 3.43Å; Q149-R152 PolarHBondContact O-N 2.72Å; Q149-R152 VanDerWaalsContact O-N 3.14Å; Q149-E153 HydrophobicContact CG-CG 4.45Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.48Å; Q149-E153 PolarHBondContact NE2-OE1 3.25Å; Q149-E153 WeakPolarHBondContact O-CG 3.45Å; Q149-E153 PolarHBondContact O-N 2.9Å; Q149-E153 VanDerWaalsContact O-N 3.08Å; Q149-K169 VanDerWaalsContact NE2-NZ 3.15Å
150L86.4Confident81.7Confident15 Ų1564.9 Ų64.98%0.07931%0.311CS..Hα-helixtrans-60.5-40.8179.7-72.7175.7000111.6V146 L147 R152 E153 M154 V167 K169 L178V146-L150 HydrophobicContact CG1-CD1 3.6Å; V146-L150 HydrophobicContact CG1-CG 3.85Å; V146-L150 WeakPolarHBondContact O-CB 3.48Å; V146-L150 VanDerWaalsContact O-CG 3.32Å; V146-L150 WeakPolarHBondContact O-CG 3.41Å; V146-L150 PolarHBondContact O-N 2.95Å; L147-L150 PolarHBondContact O-N 2.82Å; L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.11Å; L150-E153 CarbonylContact O-C 3.52Å; L150-E153 PolarHBondContact O-N 3.43Å; L150-M154 VanDerWaalsContact O-CG 3.22Å; L150-M154 WeakPolarHBondContact O-CG 2.95Å; L150-M154 PolarHBondContact O-N 2.86Å; L150-V167 HydrophobicContact CD1-CG1 3.77Å; L150-V167 HydrophobicContact CD2-CG1 4.45Å; L150-K169 HydrophobicContact CD2-CB 4.48Å; L150-K169 HydrophobicContact CD2-CD 4.04Å; L150-L178 HydrophobicContact CB-CD1 4.4Å; L150-L178 HydrophobicContact CB-CD2 4.34Å; L150-L178 HydrophobicContact CD1-CD1 3.77Å; L150-L178 HydrophobicContact CD1-CD2 3.88Å; L150-L178 HydrophobicContact CD1-CG 4.5Å
151R84.3Confident81.4Confident57 Ų5767.8 Ų67.822%0.21534%0.336CS..Hα-helixtrans-59-38.4176.5-167.6-176.5-62.7-88.24.9112.3L147 Q149 E153 L182 D185 D190L147-R151 WeakPolarHBondContact O-CB 3.39Å; L147-R151 PolarHBondContact O-N 3Å; Q149-R151 VanDerWaalsContact C-N 3.32Å; Q149-R151 PolarHBondContact O-N 3.47Å; R151-E153 VanDerWaalsContact C-N 3.33Å; R151-L182 HydrophobicContact CB-CD2 4Å; R151-L182 HydrophobicContact CG-CD2 4.33Å; R151-L182 PolarHBondContact NH1-O 3.23Å; R151-L182 PolarHBondContact NH2-O 3.17Å; R151-D185 PolarHBondContact NH1-O 3.34Å; R151-D185 PolarHBondContact NH2-O 3.44Å; R151-D190 WeakPolarHBondContact CD-OD2 3.49Å; R151-D190 IonicContact CZ-OD1 2.85Å; R151-D190 IonicContact CZ-OD2 3.51Å; R151-D190 IonicContact NE-OD1 3.39Å; R151-D190 PolarHBondContact NE-OD1 2.87Å; R151-D190 IonicContact NE-OD2 2.76Å; R151-D190 PolarHBondContact NE-OD2 2.91Å; R151-D190 IonicContact NH2-OD1 3.46Å
152R82.9Confident81.2Confident168 Ų16870.5 Ų70.563%0.63435%0.348SS*.Hα-helixtrans-71.2-29.2175.9-66.4171-163.5143.57112.6P148 Q149 L150 F155 D194P148-R152 VanDerWaalsContact O-CG 3.31Å; P148-R152 WeakPolarHBondContact O-CG 3.43Å; P148-R152 PolarHBondContact O-N 2.95Å; Q149-R152 WeakPolarHBondContact O-CB 3.43Å; Q149-R152 PolarHBondContact O-N 2.72Å; Q149-R152 VanDerWaalsContact O-N 3.14Å; L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.11Å; R152-F155 WeakPolarHBondContact O-CE2 3.16Å; R152-D194 IonicContact NH2-OD2 2.76Å
153E80.7Confident81.2Confident83 Ų8372.5 Ų72.539%0.38836%0.359SS..Hα-helixtrans-88.9-14.7-179.1-68.4174.4-177.600113.7Q149 L150 R151 F155 K169Q149-E153 HydrophobicContact CG-CG 4.45Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.48Å; Q149-E153 PolarHBondContact NE2-OE1 3.25Å; Q149-E153 WeakPolarHBondContact O-CG 3.45Å; Q149-E153 PolarHBondContact O-N 2.9Å; Q149-E153 VanDerWaalsContact O-N 3.08Å; L150-E153 CarbonylContact O-C 3.52Å; L150-E153 PolarHBondContact O-N 3.43Å; R151-E153 VanDerWaalsContact C-N 3.33Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 VanDerWaalsContact O-CD2 3.28Å; E153-F155 WeakPolarHBondContact O-CD2 3.47Å; E153-F155 PolarHBondContact O-N 3.36Å; E153-K169 IonicContact OE1-NZ 2.61Å; E153-K169 PolarHBondContact OE1-NZ 2.73Å; E153-K169 IonicContact OE2-NZ 2.74Å; E153-K169 PolarHBondContact OE2-NZ 3.28Å
154M70.1Confident81.3Confident74 Ų7476.4 Ų76.437%0.36538%0.38SS..  trans-6984.8177.4-78.2-73.9-70.700110.4L150 L158 L178 L179 L182L150-M154 VanDerWaalsContact O-CG 3.22Å; L150-M154 WeakPolarHBondContact O-CG 2.95Å; L150-M154 PolarHBondContact O-N 2.86Å; M154-L158 HydrophobicContact CE-CD1 4.18Å; M154-L178 HydrophobicContact SD-CD2 4.27Å; M154-L179 HydrophobicContact CE-CD2 3.54Å; M154-L179 HydrophobicContact CE-CG 4.49Å; M154-L182 HydrophobicContact CG-CD1 3.96Å
155F54.9Low81.4Confident178 Ų17878.8 Ų78.878%0.78139%0.393SS*.  trans-97-9.8180-81.9-78.8000114.3R152 E153R152-F155 WeakPolarHBondContact O-CE2 3.16Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 VanDerWaalsContact O-CD2 3.28Å; E153-F155 WeakPolarHBondContact O-CD2 3.47Å; E153-F155 PolarHBondContact O-N 3.36Å
156L59.9Low81.7Confident141 Ų14181.1 Ų81.174%0.73841%0.412SS*.SBendtrans-136.5141.3-171.2-63.8170.7000112.9
157P72.1Confident81.9Confident120 Ų12081.2 Ų81.278%0.77941%0.412SS*.PPolyproline II helixtrans-60.5136169.525.3-31.6000109.9
158L75.7Confident81.9Confident40 Ų4089.4 Ų89.421%0.20945%0.45CS..PPolyproline II helixtrans-70.2132.8177.7-83.5155.7000110.6M154 E162 K175 L179M154-L158 HydrophobicContact CE-CD1 4.18Å; L158-E162 HydrophobicContact CD2-CB 4.14Å; L158-K175 HydrophobicContact CD1-CB 3.97Å; L158-K175 HydrophobicContact CD2-CB 3.62Å; L158-K175 HydrophobicContact CD2-CD 3.37Å; L158-K175 HydrophobicContact CD2-CG 4.05Å; L158-K175 HydrophobicContact CG-CB 4.48Å; L158-L179 HydrophobicContact CB-CD1 4.16Å; L158-L179 HydrophobicContact CD1-CD1 3.26Å; L158-L179 HydrophobicContact CD1-CD2 3.76Å; L158-L179 HydrophobicContact CD1-CG 3.29Å; L158-L179 HydrophobicContact CG-CD1 4.27Å
159Q80.6Confident82Confident126 Ų12693.6 Ų93.659%0.58947%0.468SS*.PPolyproline II helixtrans-75.9149.4170.4-58.9-178.524.600109.7S161 E162Q159-S161 PolarHBondContact O-N 3.13Å; Q159-S161 VanDerWaalsContact O-N 3.16Å; Q159-E162 HydrophobicContact CB-CG 4.17Å; Q159-E162 PolarHBondContact N-OE2 2.93Å; Q159-E162 WeakPolarHBondContact O-CB 3.25Å; Q159-E162 PolarHBondContact O-N 3.3Å
160D82.7Confident82.2Confident135 Ų13590 Ų9072%0.72245%0.451SS*.G310 helixtrans-56.7-33.9178.5-70.7-26.4000112.6E162 Q163D160-E162 PolarHBondContact O-N 2.83Å; D160-Q163 PolarHBondContact O-N 3.1Å; D160-Q163 PolarHBondContact OD1-NE2 2.69Å
161S87.4Confident82.4Confident95 Ų9593.1 Ų93.166%0.66447%0.472SS*.G310 helixtrans-67-18.8176.655.90000114.2Q159Q159-S161 PolarHBondContact O-N 3.13Å; Q159-S161 VanDerWaalsContact O-N 3.16Å
162E88Confident82.9Confident56 Ų5691.4 Ų91.426%0.26247%0.469SS..G310 helixtrans-100-5.6-176.2-62-176.4102.400113L158 Q159 D160 D164 D165 K175L158-E162 HydrophobicContact CD2-CB 4.14Å; Q159-E162 HydrophobicContact CB-CG 4.17Å; Q159-E162 PolarHBondContact N-OE2 2.93Å; Q159-E162 WeakPolarHBondContact O-CB 3.25Å; Q159-E162 PolarHBondContact O-N 3.3Å; D160-E162 PolarHBondContact O-N 2.83Å; E162-D164 VanDerWaalsContact C-N 3.26Å; E162-D164 PolarHBondContact O-N 3.31Å; E162-D165 WeakPolarHBondContact CA-OD2 3.49Å; E162-D165 WeakPolarHBondContact CB-OD2 3.44Å; E162-D165 VanDerWaalsContact O-CB 3.29Å; E162-D165 WeakPolarHBondContact O-CB 3.38Å; E162-D165 PolarHBondContact O-N 2.89Å; E162-K175 HydrophobicContact CB-CD 4.14Å; E162-K175 WeakPolarHBondContact O-CD 3.38Å; E162-K175 IonicContact OE1-NZ 3.5Å; E162-K175 PolarHBondContact OE1-NZ 3.4Å
163Q89.6Confident83.4Confident75 Ų7583.5 Ų83.535%0.3544%0.439SS..THydrogen-bonded Turntrans-58.2-38.2-171.8-74.3-169.823.900113.1D160 K176D160-Q163 PolarHBondContact O-N 3.1Å; D160-Q163 PolarHBondContact OD1-NE2 2.69Å; Q163-K176 HydrophobicContact CB-CB 4.09Å; Q163-K176 HydrophobicContact CB-CD 4.4Å; Q163-K176 VanDerWaalsContact O-CB 3.32Å; Q163-K176 WeakPolarHBondContact O-CB 3.45Å; Q163-K176 WeakPolarHBondContact O-CG 3.43Å; Q163-K176 PolarHBondContact O-N 2.98Å
164D91.5Very high84Confident88 Ų8882.1 Ų82.147%0.47143%0.43SS..THydrogen-bonded Turntrans-89.4-1179.5-77.9-55.2000114.1E162 R174 K176E162-D164 VanDerWaalsContact C-N 3.26Å; E162-D164 PolarHBondContact O-N 3.31Å; D164-R174 WeakPolarHBondContact OD1-CD 3.19Å; D164-R174 IonicContact OD1-CZ 2.93Å; D164-R174 IonicContact OD1-NH1 3.42Å; D164-R174 PolarHBondContact OD1-NH1 3.28Å; D164-K176 VanDerWaalsContact OD1-CE 3.26Å; D164-K176 WeakPolarHBondContact OD1-CE 3.42Å; D164-K176 IonicContact OD1-NZ 2.82Å; D164-K176 PolarHBondContact OD1-NZ 3.23Å; D164-K176 IonicContact OD2-NZ 3.66Å
165D92.1Very high85Confident61 Ų6181 Ų8133%0.32642%0.423SS..SBendtrans-63.5143.6176.5-69.1-18.1000110.9E162 R174 K175E162-D165 WeakPolarHBondContact CA-OD2 3.49Å; E162-D165 WeakPolarHBondContact CB-OD2 3.44Å; E162-D165 VanDerWaalsContact O-CB 3.29Å; E162-D165 WeakPolarHBondContact O-CB 3.38Å; E162-D165 PolarHBondContact O-N 2.89Å; D165-R174 CarbonylContact O-C 3.45Å; D165-R174 WeakPolarHBondContact O-CA 3.26Å; D165-K175 HydrophobicContact CB-CD 3.87Å; D165-K175 HydrophobicContact CB-CG 4.11Å; D165-K175 PolarHBondContact O-N 2.99Å; D165-K175 IonicContact OD2-NZ 3.67Å; D165-K175 PolarHBondContact OD2-NZ 3.41Å
166P91.3Very high86.7Confident86 Ų8674.7 Ų74.756%0.55840%0.396SS*.BIsolated β-bridgetrans-66.7143.7174.228.7-34.4000111.6E168P166-E168 PolarHBondContact O-N 3.47Å
167V91.1Very high88.3Confident11 Ų1168.3 Ų68.37%0.06736%0.362CS..  trans-78.6101.2165.3-178.30000107.6L150 K169 F170 L173 K175 L178L150-V167 HydrophobicContact CD1-CG1 3.77Å; L150-V167 HydrophobicContact CD2-CG1 4.45Å; V167-K169 PolarHBondContact O-N 3.35Å; V167-K169 VanDerWaalsContact O-N 3.08Å; V167-F170 HydrophobicContact CG1-CB 4.1Å; V167-F170 CarbonylContact O-C 3.24Å; V167-F170 VanDerWaalsContact O-C 3.24Å; V167-F170 PolarHBondContact O-N 3.12Å; V167-L173 HydrophobicContact CG2-CB 4.44Å; V167-L173 PolarHBondContact N-O 3.1Å; V167-K175 HydrophobicContact CG2-CG 4.41Å; V167-L178 HydrophobicContact CG1-CD2 4.38Å; V167-L178 HydrophobicContact CG2-CB 4.02Å; V167-L178 HydrophobicContact CG2-CD2 4.15Å
168E88.4Confident89.1Confident185 Ų18563 Ų6386%0.86433%0.327SS*.THydrogen-bonded Turntrans-51.8-37.5-174.6-65.2-176171.400113.6P166 F170P166-E168 PolarHBondContact O-N 3.47Å; E168-F170 VanDerWaalsContact C-N 3.32Å; E168-F170 PolarHBondContact O-N 3.39Å
169K87.3Confident89.6Confident90 Ų9063.6 Ų63.639%0.39133%0.331SS..THydrogen-bonded Turntrans-77.1-15.8179.6-65-176.7179.3177.80113.8V146 Q149 L150 E153 V167V146-K169 HydrophobicContact CG1-CB 4.01Å; Q149-K169 VanDerWaalsContact NE2-NZ 3.15Å; L150-K169 HydrophobicContact CD2-CB 4.48Å; L150-K169 HydrophobicContact CD2-CD 4.04Å; E153-K169 IonicContact OE1-NZ 2.61Å; E153-K169 PolarHBondContact OE1-NZ 2.73Å; E153-K169 IonicContact OE2-NZ 2.74Å; E153-K169 PolarHBondContact OE2-NZ 3.28Å; V167-K169 PolarHBondContact O-N 3.35Å; V167-K169 VanDerWaalsContact O-N 3.08Å
170F90.1Very high90Very high6 Ų662 Ų623%0.02632%0.319CS..SBendtrans-149.159.1-173.3-154.2-132.8000114.2S139 R142 V146 V167 E168 L173 L376S139-F170 WeakPolarHBondContact O-CE2 3.5Å; S139-F170 VanDerWaalsContact O-CZ 3.25Å; S139-F170 WeakPolarHBondContact O-CZ 3.39Å; R142-F170 HydrophobicContact CB-CE2 4.01Å; V146-F170 HydrophobicContact CB-CD2 4.36Å; V146-F170 HydrophobicContact CB-CG 4.46Å; V146-F170 HydrophobicContact CG1-CB 3.95Å; V146-F170 HydrophobicContact CG1-CG 4.29Å; V146-F170 HydrophobicContact CG2-CD2 4.28Å; V167-F170 HydrophobicContact CG1-CB 4.1Å; V167-F170 CarbonylContact O-C 3.24Å; V167-F170 VanDerWaalsContact O-C 3.24Å; V167-F170 PolarHBondContact O-N 3.12Å; E168-F170 VanDerWaalsContact C-N 3.32Å; E168-F170 PolarHBondContact O-N 3.39Å; F170-L173 HydrophobicContact CD1-CD1 3.59Å; F170-L173 HydrophobicContact CD1-CG 4.14Å; F170-L173 HydrophobicContact CE1-CD1 3.79Å; F170-L173 HydrophobicContact CE1-CG 4.42Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.43Å; F170-L376 HydrophobicContact CE1-CD1 4.47Å; F170-L376 HydrophobicContact CE1-CD2 4.36Å; F170-L376 HydrophobicContact CZ-CD2 3.96Å
171P90.1Very high90.2Very high80 Ų8057 Ų5752%0.51929%0.292SS..THydrogen-bonded Turntrans-64.9153.6173.130.4-36000110.8
172P93.6Very high90Very high22 Ų2253.1 Ų53.114%0.14326%0.264CS..THydrogen-bonded Turncis-89.321.50.637.3-39.4000114.2R379 F380 V384P172-R379 HydrophobicContact CB-CB 4.22Å; P172-R379 HydrophobicContact CG-CB 3.62Å; P172-F380 VanDerWaalsContact CD-CE2 3.49Å; P172-F380 HydrophobicContact CG-CD2 4.06Å; P172-F380 HydrophobicContact CG-CE2 4.08Å; P172-F380 HydrophobicContact CG-CG 4.35Å; P172-F380 HydrophobicContact CG-CZ 4.39Å; P172-V384 HydrophobicContact CB-CG2 3.72Å; P172-V384 HydrophobicContact CG-CG2 3.75Å
173L93.5Very high89.8Confident1 Ų158 Ų581%0.00529%0.286CS..  trans-67.4144.2178.1-63.9-168.2000111.2V167 F170 D177 I181 L376 R379V167-L173 HydrophobicContact CG2-CB 4.44Å; V167-L173 PolarHBondContact N-O 3.1Å; F170-L173 HydrophobicContact CD1-CD1 3.59Å; F170-L173 HydrophobicContact CD1-CG 4.14Å; F170-L173 HydrophobicContact CE1-CD1 3.79Å; F170-L173 HydrophobicContact CE1-CG 4.42Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.43Å; L173-D177 HydrophobicContact CB-CB 4.27Å; L173-D177 HydrophobicContact CD2-CB 4.15Å; L173-I181 HydrophobicContact CD1-CD1 3.52Å; L173-L376 HydrophobicContact CD2-CB 4.29Å; L173-L376 HydrophobicContact CD2-CD1 3.73Å; L173-L376 HydrophobicContact CG-CD1 3.85Å; L173-R379 HydrophobicContact CD2-CG 4.23Å
174R93.5Very high89.3Confident55 Ų5557.7 Ų57.721%0.20830%0.297CS..BIsolated β-bridgetrans-95.5161.6171.9-55.8179-166.11753.1110.7D164 D165 K176 D177 L178 R379 D383 E392D164-R174 WeakPolarHBondContact OD1-CD 3.19Å; D164-R174 IonicContact OD1-CZ 2.93Å; D164-R174 IonicContact OD1-NH1 3.42Å; D164-R174 PolarHBondContact OD1-NH1 3.28Å; D165-R174 CarbonylContact O-C 3.45Å; D165-R174 WeakPolarHBondContact O-CA 3.26Å; R174-K176 HydrophobicContact CB-CG 4.26Å; R174-K176 PolarHBondContact O-N 2.78Å; R174-D177 WeakPolarHBondContact CB-OD2 3.32Å; R174-D177 PolarHBondContact N-OD2 3.3Å; R174-D177 WeakPolarHBondContact O-CA 3.44Å; R174-D177 WeakPolarHBondContact O-CB 3.49Å; R174-D177 PolarHBondContact O-N 3.12Å; R174-L178 PolarHBondContact O-N 3.15Å; R174-R379 VanDerWaalsContact NH2-NH1 3.13Å; R174-D383 IonicContact CZ-OD2 2.72Å; R174-D383 IonicContact NE-OD2 3.92Å; R174-D383 IonicContact NH2-OD1 3.17Å; R174-D383 IonicContact NH2-OD2 2.89Å; R174-D383 PolarHBondContact NH2-OD2 3.43Å; R174-E392 IonicContact NH1-OE1 3.83Å; R174-E392 PolarHBondContact NH1-OE1 3.46Å
175K92.1Very high88.5Confident49 Ų4955.6 Ų55.621%0.21329%0.286CS..Hα-helixtrans-57.3-36.1179.6-64.3-176.1-169.1159.70112.1L158 E162 D165 V167 D177 L178 L179L158-K175 HydrophobicContact CD1-CB 3.97Å; L158-K175 HydrophobicContact CD2-CB 3.62Å; L158-K175 HydrophobicContact CD2-CD 3.37Å; L158-K175 HydrophobicContact CD2-CG 4.05Å; L158-K175 HydrophobicContact CG-CB 4.48Å; E162-K175 HydrophobicContact CB-CD 4.14Å; E162-K175 WeakPolarHBondContact O-CD 3.38Å; E162-K175 IonicContact OE1-NZ 3.5Å; E162-K175 PolarHBondContact OE1-NZ 3.4Å; D165-K175 HydrophobicContact CB-CD 3.87Å; D165-K175 HydrophobicContact CB-CG 4.11Å; D165-K175 PolarHBondContact O-N 2.99Å; D165-K175 IonicContact OD2-NZ 3.67Å; D165-K175 PolarHBondContact OD2-NZ 3.41Å; V167-K175 HydrophobicContact CG2-CG 4.41Å; K175-D177 PolarHBondContact O-N 3.5Å; K175-L178 WeakPolarHBondContact O-CB 3.3Å; K175-L178 PolarHBondContact O-N 2.84Å; K175-L179 PolarHBondContact O-N 3.16Å; K175-L179 VanDerWaalsContact O-N 3.09Å
176K91.2Very high87.6Confident46 Ų4655.8 Ų55.820%0.229%0.292CS..Hα-helixtrans-64-35.7172.374-171.5-168.5-174.50114Q163 D164 R174 L179 R180 E392Q163-K176 HydrophobicContact CB-CB 4.09Å; Q163-K176 HydrophobicContact CB-CD 4.4Å; Q163-K176 VanDerWaalsContact O-CB 3.32Å; Q163-K176 WeakPolarHBondContact O-CB 3.45Å; Q163-K176 WeakPolarHBondContact O-CG 3.43Å; Q163-K176 PolarHBondContact O-N 2.98Å; D164-K176 VanDerWaalsContact OD1-CE 3.26Å; D164-K176 WeakPolarHBondContact OD1-CE 3.42Å; D164-K176 IonicContact OD1-NZ 2.82Å; D164-K176 PolarHBondContact OD1-NZ 3.23Å; D164-K176 IonicContact OD2-NZ 3.66Å; R174-K176 HydrophobicContact CB-CG 4.26Å; R174-K176 PolarHBondContact O-N 2.78Å; K176-L179 PolarHBondContact O-N 3.02Å; K176-R180 PolarHBondContact O-N 3.29Å; K176-R180 VanDerWaalsContact O-N 3.17Å; K176-E392 IonicContact NZ-OE1 2.84Å; K176-E392 PolarHBondContact NZ-OE1 2.84Å; K176-E392 IonicContact NZ-OE2 2.76Å; K176-E392 PolarHBondContact NZ-OE2 3.02Å
177D92.2Very high86.6Confident8 Ų856.9 Ų56.94%0.04330%0.297CS..Hα-helixtrans-68.2-41.1177.4-57.1-37.3000110.2L173 R174 K175 R180 I181 L375 R379L173-D177 HydrophobicContact CB-CB 4.27Å; L173-D177 HydrophobicContact CD2-CB 4.15Å; R174-D177 WeakPolarHBondContact CB-OD2 3.32Å; R174-D177 PolarHBondContact N-OD2 3.3Å; R174-D177 WeakPolarHBondContact O-CA 3.44Å; R174-D177 WeakPolarHBondContact O-CB 3.49Å; R174-D177 PolarHBondContact O-N 3.12Å; K175-D177 PolarHBondContact O-N 3.5Å; D177-R180 PolarHBondContact O-N 2.97Å; D177-I181 VanDerWaalsContact O-CG1 3.31Å; D177-I181 WeakPolarHBondContact O-CG1 3.31Å; D177-I181 PolarHBondContact O-N 2.97Å; D177-L375 HydrophobicContact CB-CD2 3.78Å; D177-L375 HydrophobicContact CB-CG 4.37Å; D177-R379 IonicContact OD1-CZ 3.99Å; D177-R379 IonicContact OD1-NE 3.82Å; D177-R379 IonicContact OD1-NH2 2.73Å; D177-R379 PolarHBondContact OD1-NH2 2.92Å; D177-R379 IonicContact OD2-CZ 3.7Å; D177-R379 IonicContact OD2-NE 2.64Å; D177-R379 PolarHBondContact OD2-NE 3.21Å; D177-R379 IonicContact OD2-NH2 3.77Å; D177-R379 PolarHBondContact OD2-NH2 3.4Å
178L89.2Confident85.6Confident8 Ų862.8 Ų62.84%0.04232%0.324CS..Hα-helixtrans-60.9-45.9176.1179.665.5000111.4L147 L150 M154 V167 R174 K175 R180 I181 L182L147-L178 HydrophobicContact CD2-CD1 3.56Å; L150-L178 HydrophobicContact CB-CD1 4.4Å; L150-L178 HydrophobicContact CB-CD2 4.34Å; L150-L178 HydrophobicContact CD1-CD1 3.77Å; L150-L178 HydrophobicContact CD1-CD2 3.88Å; L150-L178 HydrophobicContact CD1-CG 4.5Å; M154-L178 HydrophobicContact SD-CD2 4.27Å; V167-L178 HydrophobicContact CG1-CD2 4.38Å; V167-L178 HydrophobicContact CG2-CB 4.02Å; V167-L178 HydrophobicContact CG2-CD2 4.15Å; R174-L178 PolarHBondContact O-N 3.15Å; K175-L178 WeakPolarHBondContact O-CB 3.3Å; K175-L178 PolarHBondContact O-N 2.84Å; L178-R180 PolarHBondContact O-N 3.15Å; L178-I181 PolarHBondContact O-N 3.21Å; L178-L182 HydrophobicContact CD1-CD1 3.94Å; L178-L182 HydrophobicContact CD1-CD2 4.42Å; L178-L182 HydrophobicContact CD1-CG 3.97Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 HydrophobicContact CG-CD1 3.83Å; L178-L182 HydrophobicContact CG-CG 4.21Å; L178-L182 WeakPolarHBondContact O-CB 3.07Å; L178-L182 VanDerWaalsContact O-CG 3.25Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.13Å
179L87Confident85Confident53 Ų5354.7 Ų54.728%0.27729%0.29SS..Hα-helixtrans-54.9-51.7174.2-77.5178.5000111.8M154 L158 K175 K176 I181 L182 E183M154-L179 HydrophobicContact CE-CD2 3.54Å; M154-L179 HydrophobicContact CE-CG 4.49Å; L158-L179 HydrophobicContact CB-CD1 4.16Å; L158-L179 HydrophobicContact CD1-CD1 3.26Å; L158-L179 HydrophobicContact CD1-CD2 3.76Å; L158-L179 HydrophobicContact CD1-CG 3.29Å; L158-L179 HydrophobicContact CG-CD1 4.27Å; K175-L179 PolarHBondContact O-N 3.16Å; K175-L179 VanDerWaalsContact O-N 3.09Å; K176-L179 PolarHBondContact O-N 3.02Å; L179-I181 VanDerWaalsContact C-N 3.27Å; L179-I181 PolarHBondContact O-N 2.97Å; L179-L182 PolarHBondContact O-N 2.97Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L179-E183 WeakPolarHBondContact O-CB 3.4Å; L179-E183 WeakPolarHBondContact O-CG 3.38Å; L179-E183 PolarHBondContact O-N 3.4Å
180R87.6Confident84.6Confident93 Ų9351.4 Ų51.435%0.35128%0.276SS..Hα-helixtrans-57.6-40.2179.9-178.6178.1172.3-167.1-5.5112.2K176 D177 L178 A184 P369K176-R180 PolarHBondContact O-N 3.29Å; K176-R180 VanDerWaalsContact O-N 3.17Å; D177-R180 PolarHBondContact O-N 2.97Å; L178-R180 PolarHBondContact O-N 3.15Å; R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.31Å; R180-A184 VanDerWaalsContact O-N 3.15Å; R180-P369 PolarHBondContact NH2-O 2.83Å
181I87.5Confident84.3Confident28 Ų2853.7 Ų53.714%0.14429%0.293CS..Hα-helixtrans-66.5-48.4176.2-69.2164.8000110.4L147 L173 D177 L178 L179 E183 A184 D185 L375L147-I181 HydrophobicContact CD1-CG2 3.79Å; L147-I181 HydrophobicContact CD2-CG2 4.26Å; L173-I181 HydrophobicContact CD1-CD1 3.52Å; D177-I181 VanDerWaalsContact O-CG1 3.31Å; D177-I181 WeakPolarHBondContact O-CG1 3.31Å; D177-I181 PolarHBondContact O-N 2.97Å; L178-I181 PolarHBondContact O-N 3.21Å; L179-I181 VanDerWaalsContact C-N 3.27Å; L179-I181 PolarHBondContact O-N 2.97Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.37Å; I181-A184 PolarHBondContact O-N 2.89Å; I181-D185 WeakPolarHBondContact O-CB 3.3Å; I181-D185 PolarHBondContact O-N 2.92Å; I181-L375 HydrophobicContact CD1-CD2 4.21Å; I181-L375 HydrophobicContact CG1-CD2 4.14Å
182L83.7Confident84.1Confident15 Ų1552 Ų528%0.07928%0.277CS..Hα-helixtrans-67.6-29.2-177.5-67.2179.6000113R151 M154 L178 L179R151-L182 HydrophobicContact CB-CD2 4Å; R151-L182 HydrophobicContact CG-CD2 4.33Å; R151-L182 PolarHBondContact NH1-O 3.23Å; R151-L182 PolarHBondContact NH2-O 3.17Å; M154-L182 HydrophobicContact CG-CD1 3.96Å; L178-L182 HydrophobicContact CD1-CD1 3.94Å; L178-L182 HydrophobicContact CD1-CD2 4.42Å; L178-L182 HydrophobicContact CD1-CG 3.97Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 HydrophobicContact CG-CD1 3.83Å; L178-L182 HydrophobicContact CG-CG 4.21Å; L178-L182 WeakPolarHBondContact O-CB 3.07Å; L178-L182 VanDerWaalsContact O-CG 3.25Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 2.97Å; L179-L182 VanDerWaalsContact O-N 3.12Å
183E83Confident83.7Confident157 Ų15752.1 Ų52.173%0.73428%0.278SS*.Hα-helixtrans-74-37.8172.9-73.8174179.100112.1L179 I181 D185L179-E183 WeakPolarHBondContact O-CB 3.4Å; L179-E183 WeakPolarHBondContact O-CG 3.38Å; L179-E183 PolarHBondContact O-N 3.4Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.37Å; E183-D185 VanDerWaalsContact C-N 3.32Å
184A79Confident83.5Confident69 Ų6955 Ų5557%0.5729%0.293SS*.Hα-helixtrans-74.3-22.9177.500000113.3K75 R180 I181K75-A184 PolarHBondContact NZ-O 3.48Å; R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.31Å; R180-A184 VanDerWaalsContact O-N 3.15Å; I181-A184 PolarHBondContact O-N 2.89Å
185D75.2Confident83.5Confident44 Ų4455.4 Ų55.424%0.23530%0.299CS..SBendtrans-103.9125.9179.7-72.1-24000111.8K75 R151 I181 E183K75-D185 WeakPolarHBondContact CE-OD1 3.27Å; K75-D185 IonicContact NZ-OD1 3.61Å; K75-D185 PolarHBondContact NZ-OD1 3.1Å; R151-D185 PolarHBondContact NH1-O 3.34Å; R151-D185 PolarHBondContact NH2-O 3.44Å; I181-D185 WeakPolarHBondContact O-CB 3.3Å; I181-D185 PolarHBondContact O-N 2.92Å; E183-D185 VanDerWaalsContact C-N 3.32Å
186S73Confident83.5Confident66 Ų6653.7 Ų53.746%0.46229%0.291SS..  trans-78162.7173.663.50000111.5Q188 G189 D190S186-Q188 PolarHBondContact O-N 2.93Å; S186-Q188 VanDerWaalsContact O-N 3.15Å; S186-G189 VanDerWaalsContact O-CA 3.3Å; S186-G189 WeakPolarHBondContact O-CA 3.49Å; S186-G189 PolarHBondContact O-N 3.1Å; S186-G189 PolarHBondContact OG-N 2.98Å; S186-D190 PolarHBondContact O-N 3.23Å
187V69.9Low83.5Confident109 Ų10952.5 Ų52.566%0.66129%0.287SS*.Hα-helixtrans-54.6-31.7170.3178.40000111.7G189 D190 S191V187-G189 VanDerWaalsContact C-N 3.26Å; V187-G189 PolarHBondContact O-N 2.96Å; V187-D190 WeakPolarHBondContact O-CB 3.37Å; V187-D190 PolarHBondContact O-N 3.1Å; V187-D190 VanDerWaalsContact O-N 3.16Å; V187-S191 PolarHBondContact O-N 3.32Å
188Q69.9Low83.6Confident135 Ų13557.3 Ų57.363%0.63131%0.31SS*.Hα-helixtrans-63.5-33172.9-170.66329.300112.3S186 D190 S191 Y192S186-Q188 PolarHBondContact O-N 2.93Å; S186-Q188 VanDerWaalsContact O-N 3.15Å; Q188-D190 VanDerWaalsContact C-N 3.31Å; Q188-S191 PolarHBondContact O-N 3.12Å; Q188-Y192 PolarHBondContact O-N 3.16Å; Q188-Y192 VanDerWaalsContact O-N 3.11Å
189G76.1Confident83.9Confident15 Ų1558.1 Ų58.116%0.15531%0.313CS..Hα-helixtrans-64.7-32.4173.200000113.4S186 V187 Y192 S193S186-G189 VanDerWaalsContact O-CA 3.3Å; S186-G189 WeakPolarHBondContact O-CA 3.49Å; S186-G189 PolarHBondContact O-N 3.1Å; S186-G189 PolarHBondContact OG-N 2.98Å; V187-G189 VanDerWaalsContact C-N 3.26Å; V187-G189 PolarHBondContact O-N 2.96Å; G189-Y192 PolarHBondContact O-N 3.27Å; G189-S193 PolarHBondContact O-N 2.83Å; G189-S193 PolarHBondContact O-OG 2.88Å
190D80.2Confident84.2Confident20 Ų2055.7 Ų55.711%0.10730%0.3CS..Hα-helixtrans-68.4-45175.1-64.4-3000110.8P148 R151 S186 V187 Q188 Y192 S193 D194P148-D190 HydrophobicContact CB-CB 4.4Å; P148-D190 HydrophobicContact CG-CB 4.34Å; R151-D190 WeakPolarHBondContact CD-OD2 3.49Å; R151-D190 IonicContact CZ-OD1 2.85Å; R151-D190 IonicContact CZ-OD2 3.51Å; R151-D190 IonicContact NE-OD1 3.39Å; R151-D190 PolarHBondContact NE-OD1 2.87Å; R151-D190 IonicContact NE-OD2 2.76Å; R151-D190 PolarHBondContact NE-OD2 2.91Å; R151-D190 IonicContact NH2-OD1 3.46Å; S186-D190 PolarHBondContact O-N 3.23Å; V187-D190 WeakPolarHBondContact O-CB 3.37Å; V187-D190 PolarHBondContact O-N 3.1Å; V187-D190 VanDerWaalsContact O-N 3.16Å; Q188-D190 VanDerWaalsContact C-N 3.31Å; D190-Y192 PolarHBondContact O-N 2.89Å; D190-S193 WeakPolarHBondContact O-CB 3.31Å; D190-S193 PolarHBondContact O-N 2.84Å; D190-S193 VanDerWaalsContact O-N 3.08Å; D190-D194 PolarHBondContact O-N 2.89Å
191S83.7Confident84.4Confident55 Ų5555.3 Ų55.339%0.38530%0.301SS..Hα-helixtrans-59.1-38.7174.7176.60000111.8V187 Q188 D194 M195V187-S191 PolarHBondContact O-N 3.32Å; Q188-S191 PolarHBondContact O-N 3.12Å; S191-D194 PolarHBondContact O-N 3.48Å; S191-M195 WeakPolarHBondContact O-CG 3.38Å; S191-M195 PolarHBondContact O-N 2.83Å; S191-M195 VanDerWaalsContact O-N 3.07Å
192Y84.7Confident84.8Confident45 Ų4556.5 Ų56.518%0.17632%0.315CS..Hα-helixtrans-65.4-41.4174.7-163.4-99.2000112.3I78 N82 G115 I117 Q188 G189 D190 M195 I196I78-Y192 HydrophobicContact CG2-CE1 4.04Å; I78-Y192 WeakPolarHBondContact CG2-OH 3.43Å; N82-Y192 PolarHBondContact ND2-OH 2.67Å; N82-Y192 VanDerWaalsContact ND2-OH 3.07Å; G115-Y192 PolarHBondContact O-OH 2.96Å; G115-Y192 VanDerWaalsContact O-OH 3.1Å; I117-Y192 HydrophobicContact CD1-CD2 3.83Å; I117-Y192 HydrophobicContact CD1-CE1 4.13Å; I117-Y192 HydrophobicContact CD1-CE2 3.25Å; I117-Y192 HydrophobicContact CD1-CG 4.42Å; I117-Y192 WeakPolarHBondContact CD1-OH 3.22Å; I117-Y192 HydrophobicContact CG1-CE2 4.49Å; Q188-Y192 PolarHBondContact O-N 3.16Å; Q188-Y192 VanDerWaalsContact O-N 3.11Å; G189-Y192 PolarHBondContact O-N 3.27Å; D190-Y192 PolarHBondContact O-N 2.89Å; Y192-M195 HydrophobicContact CD2-CE 3.91Å; Y192-M195 PolarHBondContact O-N 3.47Å; Y192-I196 HydrophobicContact CD1-CD1 3.76Å; Y192-I196 HydrophobicContact CD1-CG1 4.32Å; Y192-I196 HydrophobicContact CE1-CD1 3.53Å; Y192-I196 HydrophobicContact CE1-CG1 4.07Å; Y192-I196 PolarHBondContact O-N 2.96Å
193S86.4Confident85.4Confident23 Ų2356.1 Ų56.116%0.16131%0.313CS..Hα-helixtrans-63.4-42.7175.2-65.40000112.3H144 G189 D190 M195 I196 L197H144-S193 PolarHBondContact ND1-OG 3.37Å; G189-S193 PolarHBondContact O-N 2.83Å; G189-S193 PolarHBondContact O-OG 2.88Å; D190-S193 WeakPolarHBondContact O-CB 3.31Å; D190-S193 PolarHBondContact O-N 2.84Å; D190-S193 VanDerWaalsContact O-N 3.08Å; S193-M195 VanDerWaalsContact C-N 3.3Å; S193-M195 PolarHBondContact O-N 2.76Å; S193-I196 PolarHBondContact O-N 2.89Å; S193-L197 WeakPolarHBondContact O-CB 3.42Å; S193-L197 PolarHBondContact O-N 3.04Å
194D89.5Confident86.1Confident61 Ų6149.8 Ų49.833%0.32629%0.287SS..Hα-helixtrans-59.8-41.8175.3-76.8-20.3000110.8R152 D190 S191 L197 E198R152-D194 IonicContact NH2-OD2 2.76Å; D190-D194 PolarHBondContact O-N 2.89Å; S191-D194 PolarHBondContact O-N 3.48Å; D194-L197 PolarHBondContact O-N 3.22Å; D194-E198 WeakPolarHBondContact O-CB 3.12Å; D194-E198 PolarHBondContact O-N 2.56Å
195M91.6Very high87Confident65 Ų6546.5 Ų46.532%0.3226%0.259SS..Hα-helixtrans-65.5-45.5175.7-73-172.6-71.300112.6I117 S191 Y192 S193 L197 E198 K199I117-M195 HydrophobicContact CD1-CB 3.83Å; I117-M195 HydrophobicContact CD1-CE 4.35Å; I117-M195 HydrophobicContact CG2-CB 4.06Å; S191-M195 WeakPolarHBondContact O-CG 3.38Å; S191-M195 PolarHBondContact O-N 2.83Å; S191-M195 VanDerWaalsContact O-N 3.07Å; Y192-M195 HydrophobicContact CD2-CE 3.91Å; Y192-M195 PolarHBondContact O-N 3.47Å; S193-M195 VanDerWaalsContact C-N 3.3Å; S193-M195 PolarHBondContact O-N 2.76Å; M195-L197 VanDerWaalsContact C-N 3.27Å; M195-L197 PolarHBondContact O-N 3.47Å; M195-E198 PolarHBondContact O-N 3.29Å; M195-K199 WeakPolarHBondContact O-CB 3.46Å; M195-K199 VanDerWaalsContact O-CG 3.31Å; M195-K199 WeakPolarHBondContact O-CG 3.41Å; M195-K199 PolarHBondContact O-N 2.83Å
196I92Very high88Confident12 Ų1244.4 Ų44.46%0.06225%0.248CC..Hα-helixtrans-55.7-48.1174.4-71171000109.6I117 F141 Y192 S193 T200I117-I196 HydrophobicContact CD1-CG1 4.13Å; I117-I196 HydrophobicContact CG1-CG1 4.13Å; F141-I196 HydrophobicContact CE2-CG2 4.23Å; Y192-I196 HydrophobicContact CD1-CD1 3.76Å; Y192-I196 HydrophobicContact CD1-CG1 4.32Å; Y192-I196 HydrophobicContact CE1-CD1 3.53Å; Y192-I196 HydrophobicContact CE1-CG1 4.07Å; Y192-I196 PolarHBondContact O-N 2.96Å; S193-I196 PolarHBondContact O-N 2.89Å; I196-T200 WeakPolarHBondContact O-CB 3.48Å; I196-T200 PolarHBondContact O-N 3.32Å; I196-T200 PolarHBondContact O-OG1 3.28Å
197L92.4Very high89.2Confident21 Ų2141.3 Ų41.311%0.1123%0.226CC..Hα-helixtrans-58.9-53.2-179.7173.158.7000111.8F141 H144 F145 S193 D194 M195 K199 T200 K201F141-L197 HydrophobicContact CE1-CD1 3.8Å; F141-L197 HydrophobicContact CZ-CD1 4.21Å; H144-L197 HydrophobicContact CB-CB 4.2Å; F145-L197 HydrophobicContact CB-CD2 4.47Å; F145-L197 HydrophobicContact CD1-CD1 4.01Å; F145-L197 HydrophobicContact CD1-CD2 3.8Å; F145-L197 HydrophobicContact CD2-CD1 3.75Å; F145-L197 HydrophobicContact CD2-CD2 4.2Å; F145-L197 HydrophobicContact CE1-CD1 3.64Å; F145-L197 HydrophobicContact CE1-CD2 4.2Å; F145-L197 HydrophobicContact CE2-CD1 3.34Å; F145-L197 HydrophobicContact CG-CD1 4.09Å; F145-L197 HydrophobicContact CG-CD2 3.83Å; F145-L197 HydrophobicContact CZ-CD1 3.28Å; S193-L197 WeakPolarHBondContact O-CB 3.42Å; S193-L197 PolarHBondContact O-N 3.04Å; D194-L197 PolarHBondContact O-N 3.22Å; M195-L197 VanDerWaalsContact C-N 3.27Å; M195-L197 PolarHBondContact O-N 3.47Å; L197-K199 PolarHBondContact O-N 2.89Å; L197-T200 PolarHBondContact O-N 2.94Å; L197-K201 HydrophobicContact CD1-CD 4.02Å; L197-K201 HydrophobicContact CD1-CG 4.14Å; L197-K201 HydrophobicContact CG-CD 4.39Å; L197-K201 WeakPolarHBondContact O-CB 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.44Å; L197-K201 PolarHBondContact O-N 2.85Å
198E93.8Very high90.4Very high110 Ų11036.1 Ų36.151%0.51420%0.195SC..Hα-helixtrans-58.9-49.5-178.6-170.1-151.7132.200111.2D194 M195 T200 K201 A202D194-E198 WeakPolarHBondContact O-CB 3.12Å; D194-E198 PolarHBondContact O-N 2.56Å; M195-E198 PolarHBondContact O-N 3.29Å; E198-T200 VanDerWaalsContact C-N 3.34Å; E198-T200 PolarHBondContact O-N 3.25Å; E198-K201 PolarHBondContact O-N 2.89Å; E198-A202 PolarHBondContact O-N 2.94Å; E198-A202 VanDerWaalsContact O-N 3.12Å
199K94.9Very high91.3Very high25 Ų2530 Ų3011%0.10917%0.166CC..Hα-helixtrans-69.3-35.6-178-59.4-41.5169-168.10111.6I117 Q120 H121 R130 M195 L197 A202 S203I117-K199 HydrophobicContact CG2-CG 3.63Å; Q120-K199 HydrophobicContact CB-CB 3.94Å; Q120-K199 HydrophobicContact CB-CD 4.1Å; Q120-K199 HydrophobicContact CB-CG 4.23Å; Q120-K199 HydrophobicContact CG-CB 4.36Å; Q120-K199 HydrophobicContact CG-CD 4.17Å; Q120-K199 PolarHBondContact OE1-O 2.9Å; H121-K199 WeakPolarHBondContact NE2-CE 3.2Å; H121-K199 PolarHBondContact NE2-NZ 2.82Å; R130-K199 PolarHBondContact NH2-O 3.48Å; M195-K199 WeakPolarHBondContact O-CB 3.46Å; M195-K199 VanDerWaalsContact O-CG 3.31Å; M195-K199 WeakPolarHBondContact O-CG 3.41Å; M195-K199 PolarHBondContact O-N 2.83Å; L197-K199 PolarHBondContact O-N 2.89Å; K199-A202 PolarHBondContact O-N 2.7Å; K199-S203 PolarHBondContact O-N 2.91Å
200T94Very high92.1Very high1 Ų129.3 Ų29.31%0.00616%0.159CC..Hα-helixtrans-67.1-41.8176.4-61.20000111.6A132 F141 I196 L197 E198 A202 S203 L206A132-T200 HydrophobicContact CB-CG2 3.91Å; F141-T200 HydrophobicContact CE2-CG2 3.55Å; F141-T200 HydrophobicContact CZ-CG2 3.55Å; I196-T200 WeakPolarHBondContact O-CB 3.48Å; I196-T200 PolarHBondContact O-N 3.32Å; I196-T200 PolarHBondContact O-OG1 3.28Å; L197-T200 PolarHBondContact O-N 2.94Å; E198-T200 VanDerWaalsContact C-N 3.34Å; E198-T200 PolarHBondContact O-N 3.25Å; T200-A202 PolarHBondContact O-N 2.89Å; T200-S203 VanDerWaalsContact O-CB 3.25Å; T200-S203 WeakPolarHBondContact O-CB 3.49Å; T200-S203 PolarHBondContact O-N 2.88Å; T200-S203 VanDerWaalsContact O-N 3.11Å; T200-S203 PolarHBondContact O-OG 3.43Å; T200-L206 HydrophobicContact CG2-CD1 4.39Å; T200-L206 HydrophobicContact CG2-CD2 3.16Å; T200-L206 HydrophobicContact CG2-CG 4.4Å
201K92.7Very high92.7Very high86 Ų8628.3 Ų28.337%0.37415%0.154SC..Hα-helixtrans-59.5-32.6172-82.3-177.2164.7178.40113.3F145 L197 E198 S203 F226F145-K201 VanDerWaalsContact CE1-NZ 3.26Å; L197-K201 HydrophobicContact CD1-CD 4.02Å; L197-K201 HydrophobicContact CD1-CG 4.14Å; L197-K201 HydrophobicContact CG-CD 4.39Å; L197-K201 WeakPolarHBondContact O-CB 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.44Å; L197-K201 PolarHBondContact O-N 2.85Å; E198-K201 PolarHBondContact O-N 2.89Å; K201-S203 VanDerWaalsContact C-N 3.3Å; K201-F226 HydrophobicContact CB-CE1 4.41Å; K201-F226 HydrophobicContact CG-CD1 3.67Å; K201-F226 HydrophobicContact CG-CE1 3.42Å; K201-F226 VanDerWaalsContact CG-CE1 3.42Å; K201-F226 HydrophobicContact CG-CZ 4.5Å
202A95.1Very high93.2Very high53 Ų5328 Ų2844%0.43815%0.146SC..THydrogen-bonded Turntrans-82.7-1178.400000114.4Q120 E198 K199 T200Q120-A202 HydrophobicContact CG-CB 3.97Å; Q120-A202 PolarHBondContact NE2-O 3.43Å; Q120-A202 PolarHBondContact OE1-O 3.38Å; E198-A202 PolarHBondContact O-N 2.94Å; E198-A202 VanDerWaalsContact O-N 3.12Å; K199-A202 PolarHBondContact O-N 2.7Å; T200-A202 PolarHBondContact O-N 2.89Å
203S96.8Very high93.7Very high6 Ų629 Ų294%0.04215%0.152CC..SBendtrans-67.7169.317571.30000112K199 T200 K201 G205 L206 V228K199-S203 PolarHBondContact O-N 2.91Å; T200-S203 VanDerWaalsContact O-CB 3.25Å; T200-S203 WeakPolarHBondContact O-CB 3.49Å; T200-S203 PolarHBondContact O-N 2.88Å; T200-S203 VanDerWaalsContact O-N 3.11Å; T200-S203 PolarHBondContact O-OG 3.43Å; K201-S203 VanDerWaalsContact C-N 3.3Å; S203-G205 PolarHBondContact OG-N 3.01Å; S203-G205 PolarHBondContact OG-O 3.08Å; S203-L206 WeakPolarHBondContact OG-CD2 3.33Å; S203-V228 VanDerWaalsContact O-CG1 3.32Å; S203-V228 WeakPolarHBondContact O-CG1 3.08Å
204S97.4Very high94.1Very high25 Ų2528.1 Ų28.118%0.17515%0.146CC..SBendtrans-77.3-10.9169.8-52.70000112.6R130 Y447R130-S204 PolarHBondContact N-OG 2.75Å; R130-S204 WeakPolarHBondContact O-CA 3.26Å; R130-S204 VanDerWaalsContact O-CB 3.31Å; R130-S204 WeakPolarHBondContact O-CB 3.42Å; R130-S204 PolarHBondContact O-N 2.98Å; R130-S204 PolarHBondContact O-OG 2.86Å; S204-Y447 WeakPolarHBondContact O-CE1 3.43Å; S204-Y447 PolarHBondContact O-OH 2.76Å; S204-Y447 VanDerWaalsContact O-OH 3.06Å
205G97.6Very high94.2Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans165.2160.7-176.900000112.8L131 A132 S203 P229L131-G205 WeakPolarHBondContact CA-O 3.44Å; A132-G205 PolarHBondContact N-O 2.93Å; S203-G205 PolarHBondContact OG-N 3.01Å; S203-G205 PolarHBondContact OG-O 3.08Å; G205-P229 CarbonylContact C-O 3.56Å; G205-P229 WeakPolarHBondContact CA-O 3.42Å
206L96.9Very high94.2Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-115.1134.6-173.7-53.2-177.8000110.8A132 T200 S203 F208 F226 V228 P229 I230 F231A132-L206 HydrophobicContact CB-CD2 3.9Å; A132-L206 WeakPolarHBondContact O-CA 3.46Å; T200-L206 HydrophobicContact CG2-CD1 4.39Å; T200-L206 HydrophobicContact CG2-CD2 3.16Å; T200-L206 HydrophobicContact CG2-CG 4.4Å; S203-L206 WeakPolarHBondContact OG-CD2 3.33Å; L206-F208 HydrophobicContact CB-CD2 4.24Å; L206-F208 HydrophobicContact CB-CE2 3.71Å; L206-F208 HydrophobicContact CD1-CE2 4.09Å; L206-F226 HydrophobicContact CD1-CB 4.48Å; L206-F226 HydrophobicContact CD1-CD1 3.59Å; L206-F226 HydrophobicContact CD1-CD2 3.76Å; L206-F226 HydrophobicContact CD1-CE1 3.6Å; L206-F226 HydrophobicContact CD1-CE2 3.82Å; L206-F226 HydrophobicContact CD1-CG 3.67Å; L206-F226 HydrophobicContact CD1-CZ 3.72Å; L206-V228 HydrophobicContact CG-CG2 4.15Å; L206-P229 PolarHBondContact N-O 3.31Å; L206-I230 HydrophobicContact CB-CG1 4.49Å; L206-I230 HydrophobicContact CB-CG2 4.5Å; L206-I230 HydrophobicContact CD1-CD1 4.48Å; L206-I230 HydrophobicContact CD1-CG1 4.2Å; L206-F231 VanDerWaalsContact O-CD2 3.32Å; L206-F231 WeakPolarHBondContact O-CD2 3.33Å; L206-F231 PolarHBondContact O-N 3.11Å
207I96.8Very high94.1Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-117.3131.1174.6-54.5166.4000107.8L26 I111 L131 A132 F133 N134 F231 I233 L444L26-I207 HydrophobicContact CD2-CD1 4.31Å; I111-I207 HydrophobicContact CD1-CD1 3.99Å; I111-I207 HydrophobicContact CG2-CD1 3.84Å; L131-I207 HydrophobicContact CB-CD1 4.03Å; L131-I207 HydrophobicContact CD1-CD1 4.03Å; A132-I207 PolarHBondContact O-N 3.31Å; F133-I207 HydrophobicContact CD2-CB 3.86Å; F133-I207 HydrophobicContact CD2-CG2 3.62Å; F133-I207 HydrophobicContact CE2-CG2 3.92Å; N134-I207 PolarHBondContact N-O 3.4Å; N134-I207 PolarHBondContact ND2-O 3.07Å; I207-F231 WeakPolarHBondContact CA-O 3.04Å; I207-F231 HydrophobicContact CG1-CB 4.48Å; I207-F231 HydrophobicContact CG1-CD2 4.29Å; I207-I233 HydrophobicContact CG2-CD1 3.8Å; I207-I233 HydrophobicContact CG2-CG1 4.14Å; I207-I233 HydrophobicContact CG2-CG2 4.48Å; I207-L444 HydrophobicContact CD1-CD1 3.83Å; I207-L444 HydrophobicContact CD1-CD2 3.91Å; I207-L444 HydrophobicContact CG1-CD1 3.91Å; I207-L444 HydrophobicContact CG1-CD2 4.07Å; I207-L444 HydrophobicContact CG2-CD2 4.27Å
208F95Very high94.1Very high0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-125.1134.5176.9-71.7-88.6000110.2N134 Y136 I138 F141 L206 S210 I230 F231 I233N134-F208 HydrophobicContact CB-CD1 3.44Å; N134-F208 VanDerWaalsContact CB-CD1 3.44Å; N134-F208 HydrophobicContact CB-CE1 3.37Å; N134-F208 HydrophobicContact CB-CG 4.24Å; N134-F208 HydrophobicContact CB-CZ 4.14Å; Y136-F208 WeakPolarHBondContact O-CD1 3.46Å; I138-F208 HydrophobicContact CB-CD1 4.25Å; I138-F208 HydrophobicContact CB-CE1 4.2Å; I138-F208 HydrophobicContact CB-CZ 4.46Å; I138-F208 HydrophobicContact CD1-CB 3.89Å; I138-F208 HydrophobicContact CD1-CD1 4.23Å; I138-F208 HydrophobicContact CD1-CD2 3.78Å; I138-F208 HydrophobicContact CD1-CE2 4.32Å; I138-F208 HydrophobicContact CD1-CG 3.71Å; I138-F208 HydrophobicContact CG1-CB 3.77Å; I138-F208 HydrophobicContact CG1-CD1 3.23Å; I138-F208 HydrophobicContact CG1-CD2 3.51Å; I138-F208 HydrophobicContact CG1-CE1 3.55Å; I138-F208 HydrophobicContact CG1-CE2 3.79Å; I138-F208 HydrophobicContact CG1-CG 3.2Å; I138-F208 HydrophobicContact CG1-CZ 3.82Å; I138-F208 HydrophobicContact CG2-CZ 4.47Å; F141-F208 HydrophobicContact CB-CE1 3.86Å; F141-F208 HydrophobicContact CB-CZ 4.03Å; F141-F208 HydrophobicContact CD2-CE1 4.29Å; F141-F208 HydrophobicContact CD2-CZ 4.14Å; F141-F208 HydrophobicContact CG-CE1 4.24Å; F141-F208 HydrophobicContact CG-CZ 4.02Å; L206-F208 HydrophobicContact CB-CD2 4.24Å; L206-F208 HydrophobicContact CB-CE2 3.71Å; L206-F208 HydrophobicContact CD1-CE2 4.09Å; F208-S210 PolarHBondContact O-N 3.47Å; F208-I230 HydrophobicContact CD2-CG2 3.84Å; F208-I230 HydrophobicContact CE2-CG2 3.97Å; F208-F231 PolarHBondContact N-O 2.9Å; F208-I233 PolarHBondContact O-N 3.37Å; F208-I233 VanDerWaalsContact O-N 3.11Å
209M89.7Confident94Very high7 Ų726.6 Ų26.63%0.03414%0.141CC..SBendtrans-80.450.5172.6-67-57.5-49.300111.4P22 F133 N134 I233 G234 S236 W352P22-M209 HydrophobicContact CB-CG 3.89Å; F133-M209 HydrophobicContact CE1-CG 4.31Å; F133-M209 HydrophobicContact CE2-CG 3.5Å; F133-M209 VanDerWaalsContact CE2-CG 3.5Å; F133-M209 HydrophobicContact CE2-SD 3.52Å; F133-M209 VanDerWaalsContact CE2-SD 3.52Å; F133-M209 HydrophobicContact CZ-CG 3.28Å; F133-M209 HydrophobicContact CZ-SD 3.59Å; F133-M209 VanDerWaalsContact CZ-SD 3.59Å; N134-M209 PolarHBondContact O-N 2.84Å; M209-I233 HydrophobicContact SD-CD1 3.78Å; M209-I233 HydrophobicContact SD-CG1 3.96Å; M209-G234 VanDerWaalsContact CE-O 3.26Å; M209-G234 WeakPolarHBondContact CE-O 3.24Å; M209-S236 WeakPolarHBondContact CE-OG 3.37Å; M209-W352 PolarHBondContact O-NE1 3.32Å
210S92.1Very high93.8Very high0 Ų027.8 Ų27.80%015%0.152CC..  trans-140.4170.7-178.1-171.50000109F208 D215 A232 I233 G234 W352F208-S210 PolarHBondContact O-N 3.47Å; S210-D215 PolarHBondContact OG-OD2 3.11Å; S210-A232 CarbonylContact O-C 3.53Å; S210-A232 WeakPolarHBondContact O-CA 3.14Å; S210-A232 WeakPolarHBondContact O-CB 3.34Å; S210-I233 PolarHBondContact O-N 3.29Å; S210-G234 VanDerWaalsContact O-CA 3.25Å; S210-G234 WeakPolarHBondContact O-CA 3.43Å; S210-G234 PolarHBondContact O-N 3.39Å; S210-W352 WeakPolarHBondContact OG-CZ2 2.91Å
211C93.5Very high93.7Very high0 Ų031.5 Ų31.50%017%0.17CC..  trans-130.9164.917465.60000111.1E213 L214 D215 A437C211-E213 VanDerWaalsContact CB-OE2 3.3Å; C211-E213 WeakPolarHBondContact CB-OE2 3.2Å; C211-E213 PolarHBondContact O-N 2.84Å; C211-E213 PolarHBondContact SG-OE2 3.4Å; C211-L214 PolarHBondContact O-N 3.48Å; C211-L214 VanDerWaalsContact O-N 3.09Å; C211-D215 PolarHBondContact O-N 2.79Å; C211-A437 HydrophobicContact CB-CB 3.93Å
212E94.7Very high93.5Very high49 Ų4927.4 Ų27.423%0.22915%0.152CC..Hα-helixtrans-54.6-39.5179.6-75.5-177.4173.900112L214 D215 Q216 L219 R223 S436E212-L214 PolarHBondContact O-N 3.4Å; E212-L214 VanDerWaalsContact O-N 3.11Å; E212-D215 PolarHBondContact O-N 3.42Å; E212-Q216 WeakPolarHBondContact O-CA 3.36Å; E212-Q216 WeakPolarHBondContact O-CB 3.18Å; E212-Q216 PolarHBondContact O-N 3.27Å; E212-Q216 PolarHBondContact O-OE1 3.4Å; E212-L219 HydrophobicContact CB-CD1 4.3Å; E212-L219 HydrophobicContact CG-CD1 3.76Å; E212-R223 IonicContact OE1-CZ 3.83Å; E212-R223 IonicContact OE1-NH1 3.15Å; E212-R223 IonicContact OE1-NH2 3.25Å; E212-R223 PolarHBondContact OE1-NH2 3.25Å; E212-S436 WeakPolarHBondContact OE2-CB 3.33Å
213E94.8Very high93.4Very high64 Ų6430.7 Ų30.730%0.29915%0.153SC..Hα-helixtrans-65.7-18.3-178-59.375.1-170.800113.7C211 K426 S430 S436C211-E213 VanDerWaalsContact CB-OE2 3.3Å; C211-E213 WeakPolarHBondContact CB-OE2 3.2Å; C211-E213 PolarHBondContact O-N 2.84Å; C211-E213 PolarHBondContact SG-OE2 3.4Å; E213-K426 HydrophobicContact CB-CB 4.49Å; E213-K426 HydrophobicContact CG-CB 4.47Å; E213-S430 VanDerWaalsContact OE1-CB 3.24Å; E213-S430 WeakPolarHBondContact OE1-CB 3.3Å; E213-S430 WeakPolarHBondContact OE2-CB 3.43Å; E213-S430 PolarHBondContact OE2-OG 3.08Å; E213-S436 VanDerWaalsContact CD-OG 3.28Å; E213-S436 PolarHBondContact OE1-OG 2.65Å; E213-S436 PolarHBondContact OE2-OG 3.16Å; E213-S436 VanDerWaalsContact OE2-OG 3.13Å
214L95.4Very high93Very high5 Ų537.2 Ų37.23%0.02618%0.183CC..Hα-helixtrans-102.5-13.4175.7-63.8176.6000112.9K137 C211 E212 W352 V356 V359 W385 L423 V427K137-L214 WeakPolarHBondContact CE-O 3.4Å; K137-L214 PolarHBondContact NZ-O 3.41Å; C211-L214 PolarHBondContact O-N 3.48Å; C211-L214 VanDerWaalsContact O-N 3.09Å; E212-L214 PolarHBondContact O-N 3.4Å; E212-L214 VanDerWaalsContact O-N 3.11Å; L214-W352 HydrophobicContact CB-CH2 4.17Å; L214-W352 HydrophobicContact CD1-CH2 3.84Å; L214-W352 HydrophobicContact CD1-CZ2 4.24Å; L214-V356 HydrophobicContact CD1-CG1 4.16Å; L214-V356 HydrophobicContact CD1-CG2 4.27Å; L214-V359 HydrophobicContact CD2-CG1 4.44Å; L214-W385 HydrophobicContact CB-CH2 4.49Å; L214-W385 HydrophobicContact CB-CZ2 3.98Å; L214-W385 HydrophobicContact CD2-CH2 3.88Å; L214-W385 HydrophobicContact CD2-CZ2 3.63Å; L214-W385 HydrophobicContact CD2-CZ3 4.49Å; L214-W385 HydrophobicContact CG-CZ2 4.38Å; L214-L423 HydrophobicContact CD2-CD1 4.02Å; L214-L423 HydrophobicContact CD2-CD2 4.33Å; L214-L423 HydrophobicContact CD2-CG 4.38Å; L214-V427 HydrophobicContact CD1-CG2 4.07Å; L214-V427 HydrophobicContact CD2-CG2 3.74Å; L214-V427 HydrophobicContact CG-CG2 3.85Å
215D91.7Very high92.6Very high4 Ų438.9 Ų38.92%0.02119%0.19CC..Hα-helixtrans-148.716.4-161.4-139.1-11.7000114.8K137 I138 S139 S210 C211 E212 D217 S218 L219K137-D215 WeakPolarHBondContact CE-OD1 3.36Å; K137-D215 WeakPolarHBondContact CE-OD2 3.46Å; K137-D215 WeakPolarHBondContact CG-OD2 3.34Å; K137-D215 IonicContact NZ-OD1 3.33Å; I138-D215 WeakPolarHBondContact CA-OD2 3.25Å; I138-D215 WeakPolarHBondContact CB-OD2 3.32Å; I138-D215 PolarHBondContact N-OD2 3.17Å; S139-D215 PolarHBondContact N-OD1 3.34Å; S139-D215 PolarHBondContact OG-OD1 2.99Å; S210-D215 PolarHBondContact OG-OD2 3.11Å; C211-D215 PolarHBondContact O-N 2.79Å; E212-D215 PolarHBondContact O-N 3.42Å; D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 PolarHBondContact O-N 3.15Å; D215-S218 PolarHBondContact O-N 3.33Å; D215-S218 VanDerWaalsContact OD1-CB 3.22Å; D215-S218 WeakPolarHBondContact OD1-CB 3.41Å; D215-L219 HydrophobicContact CB-CD1 4.01Å; D215-L219 HydrophobicContact CB-CG 4.4Å; D215-L219 WeakPolarHBondContact O-CB 3.19Å; D215-L219 PolarHBondContact O-N 2.88Å
216Q91.4Very high92.2Very high96 Ų9639.3 Ų39.345%0.44919%0.191SC..Hα-helixtrans-45.6-51.1-170.4-169.682.626.500113.8E212 L219 S220E212-Q216 WeakPolarHBondContact O-CA 3.36Å; E212-Q216 WeakPolarHBondContact O-CB 3.18Å; E212-Q216 PolarHBondContact O-N 3.27Å; E212-Q216 PolarHBondContact O-OE1 3.4Å; Q216-L219 WeakPolarHBondContact O-CB 3.25Å; Q216-L219 PolarHBondContact O-N 3.31Å; Q216-S220 PolarHBondContact O-N 3.33Å; Q216-S220 PolarHBondContact O-OG 3.15Å
217D90.1Very high91.9Very high122 Ų12248.2 Ų48.265%0.65223%0.23SC*.Hα-helixtrans-68.2-45.5-174.5-62.2-19.8000111.4D215 L219 S220 Q221D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 PolarHBondContact O-N 3.15Å; D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 PolarHBondContact O-N 3.1Å; D217-S220 PolarHBondContact O-N 2.91Å; D217-Q221 WeakPolarHBondContact O-CG 3.4Å; D217-Q221 PolarHBondContact O-N 2.93Å
218S91.4Very high91.8Very high13 Ų1349.8 Ų49.89%0.09124%0.24CC..Hα-helixtrans-69.8-31.7178.1-66.10000111.9S139 D215 S222S139-S218 WeakPolarHBondContact CA-OG 3.44Å; S139-S218 WeakPolarHBondContact CB-OG 3.26Å; S139-S218 PolarHBondContact OG-OG 3.42Å; S139-S218 VanDerWaalsContact OG-OG 3.05Å; D215-S218 PolarHBondContact O-N 3.33Å; D215-S218 VanDerWaalsContact OD1-CB 3.22Å; D215-S218 WeakPolarHBondContact OD1-CB 3.41Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 3.42Å; S218-S222 PolarHBondContact O-OG 3.3Å
219L91.9Very high91.9Very high2 Ų252.2 Ų52.21%0.0126%0.256CS..Hα-helixtrans-62.9-45.6172-94.5161.7000111.9I138 E212 D215 Q216 D217 S222 R223 I230 A232I138-L219 HydrophobicContact CD1-CD1 3.95Å; I138-L219 HydrophobicContact CD1-CD2 3.22Å; I138-L219 HydrophobicContact CD1-CG 3.36Å; E212-L219 HydrophobicContact CB-CD1 4.3Å; E212-L219 HydrophobicContact CG-CD1 3.76Å; D215-L219 HydrophobicContact CB-CD1 4.01Å; D215-L219 HydrophobicContact CB-CG 4.4Å; D215-L219 WeakPolarHBondContact O-CB 3.19Å; D215-L219 PolarHBondContact O-N 2.88Å; Q216-L219 WeakPolarHBondContact O-CB 3.25Å; Q216-L219 PolarHBondContact O-N 3.31Å; D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 PolarHBondContact O-N 3.1Å; L219-S222 PolarHBondContact O-N 3.37Å; L219-R223 WeakPolarHBondContact O-CG 3.26Å; L219-R223 PolarHBondContact O-N 2.89Å; L219-I230 HydrophobicContact CD2-CG2 4.06Å; L219-A232 HydrophobicContact CD1-CB 4.02Å; L219-A232 HydrophobicContact CD2-CB 4.15Å
220S91.9Very high92.2Very high50 Ų5052.9 Ų52.935%0.3526%0.259SS..Hα-helixtrans-62.7-48.9179.5-570000110.8Q216 D217 S222 R223Q216-S220 PolarHBondContact O-N 3.33Å; Q216-S220 PolarHBondContact O-OG 3.15Å; D217-S220 PolarHBondContact O-N 2.91Å; S220-S222 PolarHBondContact O-N 3.47Å; S220-R223 PolarHBondContact O-N 3.25Å
221Q90.1Very high92.4Very high80 Ų8053.4 Ų53.437%0.37426%0.261SS..Hα-helixtrans-61.8-42.8176-68.7169.6-7.100112.1D217 R223 E224 D225D217-Q221 WeakPolarHBondContact O-CG 3.4Å; D217-Q221 PolarHBondContact O-N 2.93Å; Q221-R223 VanDerWaalsContact C-N 3.28Å; Q221-R223 PolarHBondContact O-N 3.04Å; Q221-E224 WeakPolarHBondContact O-CB 3.27Å; Q221-E224 PolarHBondContact O-N 2.79Å; Q221-D225 PolarHBondContact O-N 3.42Å
222S90.2Very high92.5Very high0 Ų053.6 Ų53.60%026%0.263CS..Hα-helixtrans-63.2-34.3179.4-61.70000112.2I138 S218 L219 S220 E224 D225 F226I138-S222 WeakPolarHBondContact CG2-OG 3.41Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 3.42Å; S218-S222 PolarHBondContact O-OG 3.3Å; L219-S222 PolarHBondContact O-N 3.37Å; S220-S222 PolarHBondContact O-N 3.47Å; S222-E224 PolarHBondContact O-N 3.04Å; S222-D225 PolarHBondContact O-N 3.14Å; S222-D225 VanDerWaalsContact O-N 3.14Å; S222-F226 WeakPolarHBondContact O-CD2 3.31Å; S222-F226 PolarHBondContact O-N 3.05Å
223R91.2Very high92.5Very high122 Ų12251.8 Ų51.846%0.4626%0.255SS..Hα-helixtrans-63-22.3175.7-73.6170-178.8163.52.6112.9E212 L219 S220 Q221 I230E212-R223 IonicContact OE1-CZ 3.83Å; E212-R223 IonicContact OE1-NH1 3.15Å; E212-R223 IonicContact OE1-NH2 3.25Å; E212-R223 PolarHBondContact OE1-NH2 3.25Å; L219-R223 WeakPolarHBondContact O-CG 3.26Å; L219-R223 PolarHBondContact O-N 2.89Å; S220-R223 PolarHBondContact O-N 3.25Å; Q221-R223 VanDerWaalsContact C-N 3.28Å; Q221-R223 PolarHBondContact O-N 3.04Å; R223-I230 HydrophobicContact CG-CD1 4.26Å
224E89.9Confident92.2Very high143 Ų14348.7 Ų48.767%0.66824%0.24SC*.Hα-helixtrans-81.3-40.4173.4-59.8176.7-178.800111.3Q221 S222 K227Q221-E224 WeakPolarHBondContact O-CB 3.27Å; Q221-E224 PolarHBondContact O-N 2.79Å; S222-E224 PolarHBondContact O-N 3.04Å; E224-K227 PolarHBondContact O-NZ 3.43Å
225D87.7Confident91.7Very high60 Ų6048.7 Ų48.732%0.32124%0.24SC..Hα-helixtrans-71.8-31.4-177.9-71.9-35.9000114F145 Q221 S222F145-D225 HydrophobicContact CE1-CB 3.94Å; F145-D225 HydrophobicContact CZ-CB 3.95Å; Q221-D225 PolarHBondContact O-N 3.42Å; S222-D225 PolarHBondContact O-N 3.14Å; S222-D225 VanDerWaalsContact O-N 3.14Å
226F89.1Confident90.7Very high8 Ų848.6 Ų48.64%0.03524%0.24CC..  trans-105.6135.3-178.9-66.5-76.1000112.2F141 F145 K201 L206 S222 V228 I230F141-F226 HydrophobicContact CD1-CE2 4.31Å; F141-F226 AromaticContact CD1-CZ 3.85Å; F141-F226 HydrophobicContact CD1-CZ 3.85Å; F141-F226 HydrophobicContact CE1-CE1 4.22Å; F141-F226 HydrophobicContact CE1-CE2 4.27Å; F141-F226 AromaticContact CE1-CZ 3.39Å; F141-F226 HydrophobicContact CE1-CZ 3.39Å; F141-F226 HydrophobicContact CZ-CZ 4.06Å; F145-F226 HydrophobicContact CE2-CE2 4.22Å; F145-F226 AromaticContact CE2-CZ 3.93Å; F145-F226 HydrophobicContact CE2-CZ 3.93Å; F145-F226 HydrophobicContact CZ-CE1 4.31Å; F145-F226 AromaticContact CZ-CE2 3.92Å; F145-F226 HydrophobicContact CZ-CE2 3.92Å; F145-F226 AromaticContact CZ-CZ 3.64Å; F145-F226 HydrophobicContact CZ-CZ 3.64Å; K201-F226 HydrophobicContact CB-CE1 4.41Å; K201-F226 HydrophobicContact CG-CD1 3.67Å; K201-F226 HydrophobicContact CG-CE1 3.42Å; K201-F226 VanDerWaalsContact CG-CE1 3.42Å; K201-F226 HydrophobicContact CG-CZ 4.5Å; L206-F226 HydrophobicContact CD1-CB 4.48Å; L206-F226 HydrophobicContact CD1-CD1 3.59Å; L206-F226 HydrophobicContact CD1-CD2 3.76Å; L206-F226 HydrophobicContact CD1-CE1 3.6Å; L206-F226 HydrophobicContact CD1-CE2 3.82Å; L206-F226 HydrophobicContact CD1-CG 3.67Å; L206-F226 HydrophobicContact CD1-CZ 3.72Å; S222-F226 WeakPolarHBondContact O-CD2 3.31Å; S222-F226 PolarHBondContact O-N 3.05Å; F226-V228 VanDerWaalsContact C-N 3.3Å; F226-V228 HydrophobicContact CB-CG2 4.29Å; F226-I230 HydrophobicContact CB-CD1 4.17Å; F226-I230 HydrophobicContact CB-CG1 4.48Å; F226-I230 HydrophobicContact CD2-CD1 3.77Å; F226-I230 HydrophobicContact CG-CD1 4.31Å
227K91.5Very high89.7Confident188 Ų18844.5 Ų44.582%0.81722%0.221SC*.SBendtrans-94.712.4174.3-53.9-50.8179.2-156.60113.1E224E224-K227 PolarHBondContact O-NZ 3.43Å
228V95.1Very high88.4Confident32 Ų3241.3 Ų41.319%0.19421%0.208CC..SBendtrans-123.2154.2-176.7-60.10000109.5S203 L206 F226S203-V228 VanDerWaalsContact O-CG1 3.32Å; S203-V228 WeakPolarHBondContact O-CG1 3.08Å; L206-V228 HydrophobicContact CG-CG2 4.15Å; F226-V228 VanDerWaalsContact C-N 3.3Å; F226-V228 HydrophobicContact CB-CG2 4.29Å
229P96.4Very high87.2Confident52 Ų5246 Ų4634%0.33823%0.229SC..  trans-58.4140.9179-25.535.6000112.9G205 L206 F231 Y447G205-P229 CarbonylContact C-O 3.56Å; G205-P229 WeakPolarHBondContact CA-O 3.42Å; L206-P229 PolarHBondContact N-O 3.31Å; P229-F231 HydrophobicContact CB-CE1 4.2Å; P229-F231 HydrophobicContact CB-CE2 3.65Å; P229-F231 HydrophobicContact CB-CZ 3.46Å; P229-F231 VanDerWaalsContact CB-CZ 3.46Å; P229-F231 HydrophobicContact CG-CZ 4.37Å; P229-Y447 HydrophobicContact CG-CE1 4.24Å; P229-Y447 HydrophobicContact CG-CE2 4.31Å
230I96.3Very high86.2Confident20 Ų2048.3 Ų48.310%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-114.8125174.5-53.4-177.7000108.7I138 L206 F208 L219 R223 F226I138-I230 HydrophobicContact CD1-CG2 4.46Å; L206-I230 HydrophobicContact CB-CG1 4.49Å; L206-I230 HydrophobicContact CB-CG2 4.5Å; L206-I230 HydrophobicContact CD1-CD1 4.48Å; L206-I230 HydrophobicContact CD1-CG1 4.2Å; F208-I230 HydrophobicContact CD2-CG2 3.84Å; F208-I230 HydrophobicContact CE2-CG2 3.97Å; L219-I230 HydrophobicContact CD2-CG2 4.06Å; R223-I230 HydrophobicContact CG-CD1 4.26Å; F226-I230 HydrophobicContact CB-CD1 4.17Å; F226-I230 HydrophobicContact CB-CG1 4.48Å; F226-I230 HydrophobicContact CD2-CD1 3.77Å; F226-I230 HydrophobicContact CG-CD1 4.31Å
231F96.3Very high85.1Confident12 Ų1249 Ų495%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-114.6100.9-178.2-53.4-76.6000110.4L206 I207 F208 P229 I233 S440 N443 L444 Y447L206-F231 VanDerWaalsContact O-CD2 3.32Å; L206-F231 WeakPolarHBondContact O-CD2 3.33Å; L206-F231 PolarHBondContact O-N 3.11Å; I207-F231 WeakPolarHBondContact CA-O 3.04Å; I207-F231 HydrophobicContact CG1-CB 4.48Å; I207-F231 HydrophobicContact CG1-CD2 4.29Å; F208-F231 PolarHBondContact N-O 2.9Å; P229-F231 HydrophobicContact CB-CE1 4.2Å; P229-F231 HydrophobicContact CB-CE2 3.65Å; P229-F231 HydrophobicContact CB-CZ 3.46Å; P229-F231 VanDerWaalsContact CB-CZ 3.46Å; P229-F231 HydrophobicContact CG-CZ 4.37Å; F231-I233 HydrophobicContact CB-CG2 3.97Å; F231-I233 PolarHBondContact O-N 2.85Å; F231-S440 VanDerWaalsContact CA-OG 3.26Å; F231-S440 WeakPolarHBondContact CA-OG 3.2Å; F231-N443 HydrophobicContact CD1-CB 4.39Å; F231-N443 HydrophobicContact CE1-CB 4.04Å; F231-L444 HydrophobicContact CB-CB 4.24Å; F231-L444 HydrophobicContact CD1-CB 3.73Å; F231-L444 HydrophobicContact CD1-CD1 4.48Å; F231-L444 HydrophobicContact CD2-CB 4.39Å; F231-L444 HydrophobicContact CD2-CD1 3.66Å; F231-L444 HydrophobicContact CE1-CB 4.12Å; F231-L444 HydrophobicContact CE2-CD1 3.86Å; F231-L444 HydrophobicContact CG-CB 3.87Å; F231-L444 HydrophobicContact CG-CD1 3.98Å; F231-L444 HydrophobicContact CG-CG 4.41Å; F231-L444 HydrophobicContact CZ-CD1 4.37Å; F231-Y447 AromaticContact CE2-CD1 3.9Å; F231-Y447 HydrophobicContact CE2-CD1 3.9Å; F231-Y447 HydrophobicContact CE2-CE1 4.42Å; F231-Y447 AromaticContact CZ-CD1 3.69Å; F231-Y447 HydrophobicContact CZ-CD1 3.69Å; F231-Y447 HydrophobicContact CZ-CE1 4.42Å; F231-Y447 AromaticContact CZ-CG 3.94Å; F231-Y447 HydrophobicContact CZ-CG 3.94Å
232A95.6Very high84.1Confident4 Ų445.6 Ų45.63%0.03323%0.228CC..EExtended strand (participates in β ladder)trans-9190.4171.400000108.5I138 S210 L219 G234 A437 S440I138-A232 HydrophobicContact CD1-CB 4.39Å; S210-A232 CarbonylContact O-C 3.53Å; S210-A232 WeakPolarHBondContact O-CA 3.14Å; S210-A232 WeakPolarHBondContact O-CB 3.34Å; L219-A232 HydrophobicContact CD1-CB 4.02Å; L219-A232 HydrophobicContact CD2-CB 4.15Å; A232-G234 VanDerWaalsContact C-N 3.3Å; A232-G234 PolarHBondContact O-N 2.79Å; A232-A437 WeakPolarHBondContact O-CA 3.41Å; A232-S440 PolarHBondContact N-OG 3.29Å; A232-S440 VanDerWaalsContact O-CB 3.27Å; A232-S440 WeakPolarHBondContact O-CB 3.32Å
233I94.1Very high83Confident10 Ų1047.8 Ų47.85%0.05124%0.243CC..  trans-89.87.9-167.363.9169.4000114.1L26 I207 F208 M209 S210 F231 L441 L444L26-I233 HydrophobicContact CD1-CD1 3.85Å; I207-I233 HydrophobicContact CG2-CD1 3.8Å; I207-I233 HydrophobicContact CG2-CG1 4.14Å; I207-I233 HydrophobicContact CG2-CG2 4.48Å; F208-I233 PolarHBondContact O-N 3.37Å; F208-I233 VanDerWaalsContact O-N 3.11Å; M209-I233 HydrophobicContact SD-CD1 3.78Å; M209-I233 HydrophobicContact SD-CG1 3.96Å; S210-I233 PolarHBondContact O-N 3.29Å; F231-I233 HydrophobicContact CB-CG2 3.97Å; F231-I233 PolarHBondContact O-N 2.85Å; I233-L441 HydrophobicContact CB-CB 4.31Å; I233-L441 HydrophobicContact CG2-CB 4.19Å; I233-L441 HydrophobicContact CG2-CD1 4.33Å; I233-L444 HydrophobicContact CG2-CD2 3.95Å
234G89.6Confident82.2Confident0 Ų043.2 Ų43.20%023%0.23CC..  trans74177.3178.800000114.4M209 S210 A232 S236M209-G234 VanDerWaalsContact CE-O 3.26Å; M209-G234 WeakPolarHBondContact CE-O 3.24Å; S210-G234 VanDerWaalsContact O-CA 3.25Å; S210-G234 WeakPolarHBondContact O-CA 3.43Å; S210-G234 PolarHBondContact O-N 3.39Å; A232-G234 VanDerWaalsContact C-N 3.3Å; A232-G234 PolarHBondContact O-N 2.79Å; G234-S236 PolarHBondContact O-N 3.5Å
235P84.5Confident81.7Confident4 Ų436.5 Ų36.53%0.02620%0.199CC..  trans-66.8117.7169.218.3-22.4000111.6H237 V356 C360 V427 V431P235-H237 VanDerWaalsContact CB-CE1 3.44Å; P235-H237 WeakPolarHBondContact CB-CE1 3.45Å; P235-V356 HydrophobicContact CB-CG1 3.44Å; P235-V356 VanDerWaalsContact CB-CG1 3.44Å; P235-V356 HydrophobicContact CG-CG1 3.59Å; P235-C360 WeakPolarHBondContact CG-SG 3.38Å; P235-V427 HydrophobicContact CG-CG1 3.66Å; P235-V431 HydrophobicContact CG-CG1 4.39Å
236S71.2Confident81.6Confident3 Ų334 Ų342%0.02119%0.185CC..G310 helixtrans-84.5-14.3178.856.50000114.3Q25 I29 M209 G234 S238 H239Q25-S236 WeakPolarHBondContact CB-OG 3.39Å; Q25-S236 PolarHBondContact OE1-OG 2.94Å; I29-S236 VanDerWaalsContact CD1-CB 3.4Å; M209-S236 WeakPolarHBondContact CE-OG 3.37Å; G234-S236 PolarHBondContact O-N 3.5Å; S236-S238 PolarHBondContact O-N 2.81Å; S236-S238 VanDerWaalsContact O-N 3.1Å; S236-H239 PolarHBondContact O-N 2.81Å
237H69.4Low81.6Confident9 Ų935.4 Ų35.44%0.04219%0.193CC..G310 helixtrans-61.1-22.3-176.563.9-97000113.6P235 H239 F240 C360P235-H237 VanDerWaalsContact CB-CE1 3.44Å; P235-H237 WeakPolarHBondContact CB-CE1 3.45Å; H237-H239 PolarHBondContact O-N 2.95Å; H237-F240 PolarHBondContact O-N 3.09Å; H237-C360 PolarHBondContact CE1-SG 3Å; H237-C360 WeakPolarHBondContact NE2-CB 3.37Å
238S62.3Low81.6Confident56 Ų5629.4 Ų29.439%0.39217%0.167SC..G310 helixtrans-60.8-23.6173.6-51.40000113.2S236S236-S238 PolarHBondContact O-N 2.81Å; S236-S238 VanDerWaalsContact O-N 3.1Å
239H65.9Low81.4Confident111 Ų11133.3 Ų33.351%0.51419%0.192SC..THydrogen-bonded Turntrans-99.5-27.9-178.9-62.8-66.2000113.7S236 H237S236-H239 PolarHBondContact O-N 2.81Å; H237-H239 PolarHBondContact O-N 2.95Å
240F71.9Confident81.1Confident50 Ų5032.2 Ų32.222%0.21918%0.184CC..SBendtrans-141.9122.5-171.3-60.3-70.3000112.5K28 I29 H237 A242K28-F240 HydrophobicContact CB-CD1 3.81Å; K28-F240 HydrophobicContact CB-CD2 3.62Å; K28-F240 HydrophobicContact CB-CE1 3.78Å; K28-F240 HydrophobicContact CB-CE2 3.61Å; K28-F240 HydrophobicContact CB-CG 3.72Å; K28-F240 HydrophobicContact CB-CZ 3.69Å; K28-F240 HydrophobicContact CD-CB 3.62Å; K28-F240 HydrophobicContact CD-CD1 3.6Å; K28-F240 HydrophobicContact CD-CD2 4.27Å; K28-F240 HydrophobicContact CD-CE1 4.32Å; K28-F240 HydrophobicContact CD-CG 3.55Å; K28-F240 HydrophobicContact CG-CD1 4.23Å; K28-F240 HydrophobicContact CG-CE1 4.5Å; K28-F240 HydrophobicContact CG-CG 4.27Å; I29-F240 HydrophobicContact CG1-CD2 4.2Å; I29-F240 HydrophobicContact CG1-CE2 3.71Å; H237-F240 PolarHBondContact O-N 3.09Å; F240-A242 PolarHBondContact O-N 3.35Å
241P69Low81Confident66 Ų6633.6 Ų33.643%0.42919%0.192SC..  trans-58.9132.7174.6-22.231.8000112.3S243 S244P241-S243 VanDerWaalsContact C-N 3.32Å; P241-S244 PolarHBondContact O-OG 2.92Å
242A69.4Low80.9Confident8 Ų839.6 Ų39.67%0.06622%0.22CC..SBendtrans-79.5-11.1176.200000113.6F240 S244 S245 S246 Q335F240-A242 PolarHBondContact O-N 3.35Å; A242-S244 PolarHBondContact O-N 3.2Å; A242-S245 PolarHBondContact O-N 3.14Å; A242-S245 PolarHBondContact O-OG 3.37Å; A242-S246 PolarHBondContact O-N 3.23Å; A242-Q335 HydrophobicContact CB-CG 4.49Å
243S67.1Low80.9Confident46 Ų4643.1 Ų43.132%0.32224%0.241SC..G310 helixtrans-52.4-41.1177.752.30000112P241 S245 S246P241-S243 VanDerWaalsContact C-N 3.32Å; S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 3.21Å; S243-S246 PolarHBondContact O-N 3.02Å
244S72.9Confident81Confident26 Ų2642.6 Ų42.618%0.18224%0.239CC..G310 helixtrans-65-18.9176.259.90000115.8K28 S51 H52 P241 A242K28-S244 PolarHBondContact NZ-OG 3.2Å; S51-S244 VanDerWaalsContact CB-O 3.28Å; S51-S244 WeakPolarHBondContact CB-O 3.29Å; S51-S244 PolarHBondContact OG-O 3.01Å; H52-S244 PolarHBondContact CE1-OG 2.87Å; H52-S244 PolarHBondContact NE2-O 2.97Å; P241-S244 PolarHBondContact O-OG 2.92Å; A242-S244 PolarHBondContact O-N 3.2Å
245S79.6Confident81.4Confident2 Ų244.7 Ų44.71%0.01425%0.249CC..G310 helixtrans-109.81.6-178.159.70000113.7N21 A242 S243N21-S245 WeakPolarHBondContact OD1-CB 3.44Å; N21-S245 PolarHBondContact OD1-O 2.92Å; N21-S245 PolarHBondContact OD1-OG 3.27Å; A242-S245 PolarHBondContact O-N 3.14Å; A242-S245 PolarHBondContact O-OG 3.37Å; S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 3.21Å
246S87.2Confident82.1Confident6 Ų647.9 Ų47.94%0.04227%0.27CS..  trans-73.8132-178.2-161.90000112.8Q17 K48 A242 S243 F248 W331Q17-S246 PolarHBondContact NE2-OG 2.84Å; K48-S246 PolarHBondContact NZ-O 3.02Å; A242-S246 PolarHBondContact O-N 3.23Å; S243-S246 PolarHBondContact O-N 3.02Å; S246-F248 WeakPolarHBondContact CB-O 3.25Å; S246-F248 PolarHBondContact O-N 2.87Å; S246-F248 PolarHBondContact OG-N 2.98Å; S246-F248 PolarHBondContact OG-O 3.38Å; S246-W331 PolarHBondContact OG-NE1 3.26Å
247L88.4Confident83.3Confident39 Ų3950 Ų5020%0.20428%0.278CS..SBendtrans-64.6-28.6170.5-65.1174.5000111.6Q17 I20 N45Q17-L247 HydrophobicContact CB-CD1 4.09Å; Q17-L247 VanDerWaalsContact OE1-CB 3.29Å; Q17-L247 VanDerWaalsContact OE1-CG 3.29Å; I20-L247 HydrophobicContact CD1-CD1 4.06Å; I20-L247 HydrophobicContact CD1-CD2 3.89Å; I20-L247 HydrophobicContact CD1-CG 4.18Å; N45-L247 HydrophobicContact CB-CD1 3.71Å; N45-L247 HydrophobicContact CB-CD2 3.97Å; N45-L247 WeakPolarHBondContact O-CD2 3.47Å
248F90.9Very high84.7Confident61 Ų6149.6 Ų49.627%0.26828%0.276SS..SBendtrans-96.3151.1179.1-53.4-81.1000110Q17 S246 P250 R301 W331Q17-F248 HydrophobicContact CG-CE2 4.46Å; S246-F248 WeakPolarHBondContact CB-O 3.25Å; S246-F248 PolarHBondContact O-N 2.87Å; S246-F248 PolarHBondContact OG-N 2.98Å; S246-F248 PolarHBondContact OG-O 3.38Å; F248-P250 WeakPolarHBondContact O-CD 3.49Å; F248-R301 HydrophobicContact CD1-CG 4.47Å; F248-R301 HydrophobicContact CE1-CG 4.06Å; F248-R301 HydrophobicContact CZ-CG 4.44Å; F248-W331 HydrophobicContact CB-CB 4.05Å; F248-W331 HydrophobicContact CB-CD2 3.66Å; F248-W331 HydrophobicContact CB-CE3 4.39Å; F248-W331 HydrophobicContact CB-CG 3.46Å; F248-W331 VanDerWaalsContact CB-CG 3.46Å; F248-W331 AromaticContact CD2-CD2 3.84Å; F248-W331 HydrophobicContact CD2-CD2 3.84Å; F248-W331 AromaticContact CD2-CE2 3.57Å; F248-W331 HydrophobicContact CD2-CE3 4.07Å; F248-W331 AromaticContact CD2-CH2 3.86Å; F248-W331 HydrophobicContact CD2-CH2 3.86Å; F248-W331 AromaticContact CD2-CZ2 3.58Å; F248-W331 HydrophobicContact CD2-CZ2 3.58Å; F248-W331 HydrophobicContact CD2-CZ3 4.08Å; F248-W331 HydrophobicContact CE2-CH2 4.02Å; F248-W331 HydrophobicContact CE2-CZ2 4.14Å; F248-W331 HydrophobicContact CE2-CZ3 4.25Å; F248-W331 AromaticContact CG-CD2 3.81Å; F248-W331 HydrophobicContact CG-CD2 3.81Å; F248-W331 AromaticContact CG-CE2 3.97Å; F248-W331 HydrophobicContact CG-CE3 4.11Å; F248-W331 HydrophobicContact CG-CG 4.15Å; F248-W331 HydrophobicContact CG-CZ2 4.4Å
249T90.6Very high86.5Confident115 Ų11550.8 Ų50.871%0.70628%0.278SS*.PPolyproline II helixtrans-82.6117.2171.7-60.50000108.4
250P91.6Very high88Confident28 Ų2855.6 Ų55.618%0.18229%0.291CS..PPolyproline II helixtrans-63.8139.2176.9-2033.5000111.7F248 E252 P333F248-P250 WeakPolarHBondContact O-CD 3.49Å; P250-E252 PolarHBondContact O-N 3.35Å; P250-P333 HydrophobicContact CB-CB 4.06Å; P250-P333 HydrophobicContact CB-CG 4.47Å
251D93.4Very high89.3Confident49 Ų4955.2 Ų55.226%0.26229%0.29SS..  trans-85.896167-176.1-12.5000108.9T253 C254 V329 W331D251-T253 PolarHBondContact O-N 3.49Å; D251-T253 WeakPolarHBondContact OD1-CB 3.44Å; D251-T253 VanDerWaalsContact OD1-CG2 3.26Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.16Å; D251-T253 PolarHBondContact OD1-N 3.07Å; D251-T253 PolarHBondContact OD1-OG1 2.81Å; D251-T253 PolarHBondContact OD2-OG1 3.32Å; D251-C254 PolarHBondContact O-SG 3.37Å; D251-V329 HydrophobicContact CB-CB 4.11Å; D251-V329 HydrophobicContact CB-CG1 4.3Å; D251-V329 WeakPolarHBondContact OD2-CG1 3.17Å; D251-W331 VanDerWaalsContact CB-O 3.3Å; D251-W331 WeakPolarHBondContact CB-O 3.17Å; D251-W331 PolarHBondContact N-O 3.47Å
252E93.6Very high90.6Very high138 Ų13859.5 Ų59.565%0.64531%0.305SS*.THydrogen-bonded Turntrans-71.9-8.7-179.8-62.2-171.8162.300113.1P250 C254 I255 P256P250-E252 PolarHBondContact O-N 3.35Å; E252-C254 PolarHBondContact O-N 3.31Å; E252-C254 VanDerWaalsContact O-N 3.1Å; E252-I255 PolarHBondContact O-N 3.03Å; E252-I255 VanDerWaalsContact O-N 3.12Å; E252-P256 VanDerWaalsContact O-CD 3.25Å; E252-P256 WeakPolarHBondContact O-CD 3.43Å
253T96.2Very high92Very high78 Ų7864.2 Ų64.248%0.47933%0.329SS..THydrogen-bonded Turntrans-66.4-13.5178.374.50000112.7D251 K327D251-T253 PolarHBondContact O-N 3.49Å; D251-T253 WeakPolarHBondContact OD1-CB 3.44Å; D251-T253 VanDerWaalsContact OD1-CG2 3.26Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.16Å; D251-T253 PolarHBondContact OD1-N 3.07Å; D251-T253 PolarHBondContact OD1-OG1 2.81Å; D251-T253 PolarHBondContact OD2-OG1 3.32Å; T253-K327 WeakPolarHBondContact O-CE 3.19Å; T253-K327 VanDerWaalsContact OG1-CE 3.26Å; T253-K327 WeakPolarHBondContact OG1-CE 3.47Å; T253-K327 PolarHBondContact OG1-NZ 3.38Å
254C96.9Very high93.5Very high0 Ų066.6 Ų66.60%033%0.333CS..Hα-helixtrans-71-27.4173.868.70000113.3D251 E252 W257 L258 L297 K327 V329D251-C254 PolarHBondContact O-SG 3.37Å; E252-C254 PolarHBondContact O-N 3.31Å; E252-C254 VanDerWaalsContact O-N 3.1Å; C254-W257 WeakPolarHBondContact O-CB 3.48Å; C254-W257 PolarHBondContact O-N 3.04Å; C254-L258 VanDerWaalsContact O-CG 3.31Å; C254-L258 WeakPolarHBondContact O-CG 3.46Å; C254-L258 PolarHBondContact O-N 3.03Å; C254-L297 HydrophobicContact CB-CD1 3.71Å; C254-L297 HydrophobicContact CB-CD2 3.93Å; C254-K327 VanDerWaalsContact CA-CE 3.48Å; C254-K327 HydrophobicContact CB-CD 4.29Å; C254-V329 HydrophobicContact CB-CG1 4.24Å
255I97.8Very high94.7Very high43 Ų4366 Ų6622%0.22133%0.329CS..Hα-helixtrans-67.5-51.2-178.6-56.1-57.8000111.3E252 W257 L258 D259 P333 E336 V337E252-I255 PolarHBondContact O-N 3.03Å; E252-I255 VanDerWaalsContact O-N 3.12Å; I255-W257 PolarHBondContact O-N 3.11Å; I255-W257 VanDerWaalsContact O-N 3.14Å; I255-L258 HydrophobicContact CD1-CD1 4.21Å; I255-L258 WeakPolarHBondContact O-CB 3.31Å; I255-L258 PolarHBondContact O-N 3.19Å; I255-D259 PolarHBondContact O-N 2.66Å; I255-P333 HydrophobicContact CD1-CG 4.17Å; I255-P333 HydrophobicContact CG1-CG 4.23Å; I255-E336 HydrophobicContact CD1-CB 4.15Å; I255-V337 HydrophobicContact CD1-CG2 4.07Å
256P98.1Very high95.6Very high71 Ų7166 Ų6646%0.46133%0.329SS..Hα-helixtrans-62.8-21.8174.3-23.935.1000114.5E252E252-P256 VanDerWaalsContact O-CD 3.25Å; E252-P256 WeakPolarHBondContact O-CD 3.43Å
257W98.4Very high96.2Very high48 Ų4865.7 Ų65.718%0.18233%0.327CS..Hα-helixtrans-74.7-43.7172.4176.789.5000111.1C254 I255 D259 R260 Q261 V266 P295 F296 L297 K327C254-W257 WeakPolarHBondContact O-CB 3.48Å; C254-W257 PolarHBondContact O-N 3.04Å; I255-W257 PolarHBondContact O-N 3.11Å; I255-W257 VanDerWaalsContact O-N 3.14Å; W257-D259 VanDerWaalsContact C-N 3.27Å; W257-D259 PolarHBondContact O-N 3.03Å; W257-R260 PolarHBondContact O-N 3.08Å; W257-Q261 HydrophobicContact CE3-CG 4.34Å; W257-Q261 HydrophobicContact CH2-CG 4.14Å; W257-Q261 HydrophobicContact CZ2-CG 4.42Å; W257-Q261 HydrophobicContact CZ3-CG 4.11Å; W257-Q261 PolarHBondContact O-NE2 3.07Å; W257-V266 HydrophobicContact CH2-CG1 4.21Å; W257-V266 HydrophobicContact CH2-CG2 4.39Å; W257-V266 HydrophobicContact CZ3-CG1 4.05Å; W257-V266 HydrophobicContact CZ3-CG2 4.34Å; W257-P295 HydrophobicContact CH2-CB 4.47Å; W257-F296 VanDerWaalsContact CH2-O 3.24Å; W257-F296 WeakPolarHBondContact CH2-O 3.36Å; W257-L297 HydrophobicContact CZ3-CB 4.01Å; W257-K327 HydrophobicContact CB-CD 3.62Å; W257-K327 HydrophobicContact CD2-CB 3.77Å; W257-K327 HydrophobicContact CD2-CD 3.96Å; W257-K327 HydrophobicContact CE3-CB 4.16Å; W257-K327 HydrophobicContact CE3-CD 4.43Å; W257-K327 HydrophobicContact CG-CB 4.13Å; W257-K327 HydrophobicContact CG-CD 3.56Å; W257-K327 HydrophobicContact CG-CG 4.46Å; W257-K327 HydrophobicContact CZ2-CB 4.14Å
258L98.6Very high96.7Very high0 Ų064 Ų640%032%0.318CS..Hα-helixtrans-62.4-34.1174.1-72.8172000111.8C254 I255 R260 Q261 V266 L297 V337 H340 A342 I343C254-L258 VanDerWaalsContact O-CG 3.31Å; C254-L258 WeakPolarHBondContact O-CG 3.46Å; C254-L258 PolarHBondContact O-N 3.03Å; I255-L258 HydrophobicContact CD1-CD1 4.21Å; I255-L258 WeakPolarHBondContact O-CB 3.31Å; I255-L258 PolarHBondContact O-N 3.19Å; L258-R260 PolarHBondContact O-N 3.29Å; L258-R260 VanDerWaalsContact O-N 3.07Å; L258-Q261 WeakPolarHBondContact O-CB 3.44Å; L258-Q261 PolarHBondContact O-N 3.48Å; L258-V266 HydrophobicContact CD2-CB 4.36Å; L258-V266 HydrophobicContact CD2-CG1 4.02Å; L258-V266 HydrophobicContact CD2-CG2 4.09Å; L258-L297 HydrophobicContact CD1-CD2 4.06Å; L258-L297 HydrophobicContact CD2-CD2 4.46Å; L258-L297 HydrophobicContact CG-CD2 4.42Å; L258-V337 HydrophobicContact CD1-CB 4.46Å; L258-V337 HydrophobicContact CD1-CG1 4.25Å; L258-V337 HydrophobicContact CD1-CG2 4.1Å; L258-H340 HydrophobicContact CD1-CB 4.18Å; L258-H340 PolarHBondContact O-CE1 2.98Å; L258-H340 VanDerWaalsContact O-CE1 3.24Å; L258-A342 HydrophobicContact CD2-CB 4.37Å; L258-I343 HydrophobicContact CD1-CD1 4.34Å; L258-I343 HydrophobicContact CD2-CD1 3.6Å
259D98.4Very high97Very high82 Ų8261.1 Ų61.144%0.43931%0.305SS..THydrogen-bonded Turntrans-59-19.4176.7-79.1-37.4000114.2I255 W257 H340 R341I255-D259 PolarHBondContact O-N 2.66Å; W257-D259 VanDerWaalsContact C-N 3.27Å; W257-D259 PolarHBondContact O-N 3.03Å; D259-H340 IonicContact OD1-NE2 3.43Å; D259-H340 PolarHBondContact OD1-NE2 2.74Å; D259-H340 VanDerWaalsContact OD1-NE2 3.15Å; D259-R341 VanDerWaalsContact C-NH2 3.34Å; D259-R341 PolarHBondContact O-NH2 3.35Å; D259-R341 IonicContact OD1-NH1 3.43Å; D259-R341 PolarHBondContact OD1-NH1 3.38Å
260R97.8Very high97.4Very high212 Ų21255.8 Ų55.880%0.827%0.273SS*.THydrogen-bonded Turntrans-96.5-4.7179.6-60.4172.7-172.9-108.5-0.5113.3W257 L258W257-R260 PolarHBondContact O-N 3.08Å; L258-R260 PolarHBondContact O-N 3.29Å; L258-R260 VanDerWaalsContact O-N 3.07Å
261Q98.5Very high97.6Very high41 Ų4154.9 Ų54.919%0.19227%0.266CS..SBendtrans-91.1153.6-177.4-53.2-54.8-4300110.8W257 L258 V266 A342W257-Q261 HydrophobicContact CE3-CG 4.34Å; W257-Q261 HydrophobicContact CH2-CG 4.14Å; W257-Q261 HydrophobicContact CZ2-CG 4.42Å; W257-Q261 HydrophobicContact CZ3-CG 4.11Å; W257-Q261 PolarHBondContact O-NE2 3.07Å; L258-Q261 WeakPolarHBondContact O-CB 3.44Å; L258-Q261 PolarHBondContact O-N 3.48Å; Q261-V266 HydrophobicContact CB-CG2 3.6Å; Q261-V266 HydrophobicContact CG-CG2 3.65Å; Q261-A342 HydrophobicContact CB-CB 3.8Å
262E98.2Very high97.7Very high157 Ų15753 Ų5373%0.73426%0.259SS*.PPolyproline II helixtrans-67.6151.9173.6-65.8-178.6175.400110.9K264 S265 A342E262-K264 PolarHBondContact O-N 3.43Å; E262-S265 WeakPolarHBondContact O-CB 3.4Å; E262-S265 PolarHBondContact O-N 3.19Å; E262-S265 PolarHBondContact O-OG 3.45Å; E262-A342 WeakPolarHBondContact O-CA 3.31Å
263D98.4Very high97.6Very high107 Ų10747.5 Ų47.557%0.57224%0.235SC*.THydrogen-bonded Turntrans-58.8135.2178.7-75.98.7000110.8S265 R341D263-S265 PolarHBondContact O-N 3.28Å; D263-R341 WeakPolarHBondContact OD1-CD 3.12Å; D263-R341 VanDerWaalsContact OD1-CG 3.24Å; D263-R341 WeakPolarHBondContact OD1-CG 3.08Å; D263-R341 IonicContact OD1-NE 2.65Å; D263-R341 PolarHBondContact OD1-NE 3.18Å; D263-R341 VanDerWaalsContact OD1-NE 3.16Å
264K98.1Very high97.4Very high95 Ų9546.5 Ų46.541%0.41323%0.227SC..THydrogen-bonded Turntrans54.624.1178.1-51.8-56.4178.6-171.60115.8E262 R341 A342 I343 G344E262-K264 PolarHBondContact O-N 3.43Å; K264-R341 WeakPolarHBondContact CD-O 3.26Å; K264-R341 PolarHBondContact N-O 3.24Å; K264-A342 CarbonylContact C-O 3.54Å; K264-A342 WeakPolarHBondContact CA-O 3.13Å; K264-A342 PolarHBondContact N-O 3.42Å; K264-I343 WeakPolarHBondContact CD-O 3.36Å; K264-I343 PolarHBondContact NZ-O 3.22Å; K264-I343 VanDerWaalsContact NZ-O 3.12Å; K264-G344 VanDerWaalsContact O-CA 3.29Å; K264-G344 WeakPolarHBondContact O-CA 3.35Å
265S98.1Very high97.3Very high15 Ų1547.1 Ų47.111%0.10523%0.23CC..  trans-93.6-23.3179.364.40000114.4E262 D263 A342E262-S265 WeakPolarHBondContact O-CB 3.4Å; E262-S265 PolarHBondContact O-N 3.19Å; E262-S265 PolarHBondContact O-OG 3.45Å; D263-S265 PolarHBondContact O-N 3.28Å; S265-A342 PolarHBondContact N-O 3.4Å; S265-A342 VanDerWaalsContact N-O 3.1Å
266V98.8Very high97.1Very high0 Ų046.9 Ų46.90%023%0.231CC..EExtended strand (participates in β ladder)trans-91.7131.9-169.5-179.10000111.5W257 L258 Q261 P295 L297 A342 I343 G344 G345W257-V266 HydrophobicContact CH2-CG1 4.21Å; W257-V266 HydrophobicContact CH2-CG2 4.39Å; W257-V266 HydrophobicContact CZ3-CG1 4.05Å; W257-V266 HydrophobicContact CZ3-CG2 4.34Å; L258-V266 HydrophobicContact CD2-CB 4.36Å; L258-V266 HydrophobicContact CD2-CG1 4.02Å; L258-V266 HydrophobicContact CD2-CG2 4.09Å; Q261-V266 HydrophobicContact CB-CG2 3.6Å; Q261-V266 HydrophobicContact CG-CG2 3.65Å; V266-P295 CarbonylContact C-O 3.6Å; V266-P295 VanDerWaalsContact CA-O 3.3Å; V266-P295 WeakPolarHBondContact CA-O 3.48Å; V266-P295 HydrophobicContact CG2-CB 3.97Å; V266-L297 HydrophobicContact CG1-CB 4.27Å; V266-A342 WeakPolarHBondContact CB-O 3.11Å; V266-A342 HydrophobicContact CG2-CB 3.97Å; V266-A342 PolarHBondContact N-O 2.89Å; V266-I343 HydrophobicContact CB-CD1 3.93Å; V266-I343 HydrophobicContact CG1-CD1 3.78Å; V266-G344 PolarHBondContact O-N 3.18Å; V266-G345 PolarHBondContact O-N 2.94Å
267I98.8Very high97Very high0 Ų043.6 Ų43.60%021%0.21CC..EExtended strand (participates in β ladder)trans-87.6117.9162.6-171.277.9000110.1V269 L289 P295 F296 L297 L347 I366 I404 L408I267-V269 HydrophobicContact CG1-CG2 4.27Å; I267-V269 HydrophobicContact CG2-CG2 4.49Å; I267-L289 HydrophobicContact CG2-CD2 3.95Å; I267-P295 PolarHBondContact N-O 3.35Å; I267-F296 HydrophobicContact CG2-CB 3.47Å; I267-F296 VanDerWaalsContact CG2-CB 3.47Å; I267-F296 CarbonylContact O-C 3.51Å; I267-F296 VanDerWaalsContact O-CA 3.25Å; I267-F296 WeakPolarHBondContact O-CA 3.24Å; I267-L297 PolarHBondContact O-N 3.16Å; I267-L347 HydrophobicContact CG1-CB 4.43Å; I267-I366 HydrophobicContact CD1-CD1 3.95Å; I267-I404 HydrophobicContact CB-CG2 4.47Å; I267-I404 HydrophobicContact CG1-CG1 4.24Å; I267-I404 HydrophobicContact CG2-CD1 4.28Å; I267-I404 HydrophobicContact CG2-CG2 4.35Å; I267-L408 HydrophobicContact CB-CD1 4.43Å
268Y98.9Very high96.9Very high3 Ų344.1 Ų44.11%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-84135.8169.3174.9-129.7000109.3S270 L297 V299 A332 Q334 V337 L338 G345 F346 L347Y268-S270 WeakPolarHBondContact OH-CB 3.21Å; Y268-L297 CarbonylContact C-O 3.56Å; Y268-L297 WeakPolarHBondContact CA-O 3.47Å; Y268-L297 HydrophobicContact CD2-CB 4.28Å; Y268-L297 HydrophobicContact CD2-CD2 4.03Å; Y268-L297 HydrophobicContact CD2-CG 4.03Å; Y268-L297 WeakPolarHBondContact CD2-O 3.47Å; Y268-L297 HydrophobicContact CE2-CD2 4.34Å; Y268-L297 HydrophobicContact CE2-CG 4.43Å; Y268-V299 HydrophobicContact CE2-CG2 3.62Å; Y268-A332 HydrophobicContact CE2-CB 4.19Å; Y268-Q334 HydrophobicContact CE1-CG 3.8Å; Y268-Q334 PolarHBondContact OH-OE1 3.18Å; Y268-V337 HydrophobicContact CD1-CG1 4.13Å; Y268-V337 HydrophobicContact CD2-CG1 3.75Å; Y268-V337 HydrophobicContact CE1-CG1 4.43Å; Y268-V337 HydrophobicContact CE2-CG1 4.03Å; Y268-V337 HydrophobicContact CG-CG1 3.81Å; Y268-L338 HydrophobicContact CD1-CD2 3.89Å; Y268-L338 HydrophobicContact CD1-CG 4.42Å; Y268-L338 HydrophobicContact CE1-CD2 4.39Å; Y268-G345 PolarHBondContact N-O 2.99Å; Y268-F346 HydrophobicContact CD1-CD1 4.41Å; Y268-F346 AromaticContact CD1-CD2 3.27Å; Y268-F346 HydrophobicContact CD1-CD2 3.27Å; Y268-F346 HydrophobicContact CD1-CE1 4.43Å; Y268-F346 AromaticContact CD1-CE2 3.31Å; Y268-F346 HydrophobicContact CD1-CE2 3.31Å; Y268-F346 AromaticContact CD1-CG 3.87Å; Y268-F346 HydrophobicContact CD1-CG 3.87Å; Y268-F346 AromaticContact CD1-CZ 3.92Å; Y268-F346 HydrophobicContact CD1-CZ 3.92Å; Y268-F346 AromaticContact CE1-CD2 3.81Å; Y268-F346 HydrophobicContact CE1-CD2 3.81Å; Y268-F346 HydrophobicContact CE1-CE1 4.3Å; Y268-F346 AromaticContact CE1-CE2 3.3Å; Y268-F346 HydrophobicContact CE1-CE2 3.3Å; Y268-F346 AromaticContact CE1-CZ 3.57Å; Y268-F346 HydrophobicContact CE1-CZ 3.57Å; Y268-F346 HydrophobicContact CG-CD2 4.04Å; Y268-F346 HydrophobicContact CG-CE2 4.26Å; Y268-F346 CarbonylContact O-C 3.56Å; Y268-F346 WeakPolarHBondContact O-CA 3.48Å; Y268-F346 WeakPolarHBondContact O-CD2 3.19Å; Y268-L347 PolarHBondContact O-N 3.23Å
269V98.8Very high96.8Very high1 Ų148.4 Ų48.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-127.4117.7-177.6-1740000109.2I267 L289 L297 W298 V299 L347I267-V269 HydrophobicContact CG1-CG2 4.27Å; I267-V269 HydrophobicContact CG2-CG2 4.49Å; V269-L289 HydrophobicContact CG2-CD1 4.27Å; V269-L289 HydrophobicContact CG2-CD2 3.65Å; V269-L297 PolarHBondContact N-O 3.41Å; V269-W298 HydrophobicContact CB-CB 4.26Å; V269-W298 HydrophobicContact CB-CG 4.15Å; V269-W298 VanDerWaalsContact CG1-CD1 3.48Å; V269-W298 HydrophobicContact CG1-CG 4.27Å; V269-V299 PolarHBondContact O-N 3.3Å; V269-L347 WeakPolarHBondContact CA-O 3.18Å; V269-L347 HydrophobicContact CB-CB 4.42Å; V269-L347 HydrophobicContact CG1-CB 4.21Å; V269-L347 HydrophobicContact CG1-CD1 4.4Å; V269-L347 HydrophobicContact CG1-CD2 4.19Å; V269-L347 HydrophobicContact CG1-CG 4.49Å; V269-L347 HydrophobicContact CG2-CB 4.1Å
270S98.3Very high96.7Very high3 Ų349.1 Ų49.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-152.8122.7175.8178.70000112Y268 L347 T348Y268-S270 WeakPolarHBondContact OH-CB 3.21Å; S270-L347 PolarHBondContact N-O 3.31Å; S270-T348 WeakPolarHBondContact O-CA 3.18Å
271I96.3Very high96.7Very high9 Ų941.4 Ų41.45%0.04622%0.216CC..  trans-96.314.1178.460.5174.7000113V275 I277 H349 F370I271-V275 HydrophobicContact CB-CB 4.32Å; I271-V275 HydrophobicContact CB-CG1 4.28Å; I271-V275 HydrophobicContact CD1-CB 4.44Å; I271-V275 HydrophobicContact CD1-CG1 3.99Å; I271-V275 HydrophobicContact CG1-CB 4.41Å; I271-V275 HydrophobicContact CG1-CG1 4.41Å; I271-V275 WeakPolarHBondContact O-CB 3.13Å; I271-V275 WeakPolarHBondContact O-CG2 3.02Å; I271-I277 HydrophobicContact CD1-CD1 4.19Å; I271-I277 HydrophobicContact CD1-CG1 4.26Å; I271-I277 HydrophobicContact CD1-CG2 3.69Å; I271-H349 HydrophobicContact CB-CB 4.42Å; I271-F370 HydrophobicContact CB-CE2 4.36Å; I271-F370 HydrophobicContact CG2-CE2 4.06Å
272G94Very high96.7Very high10 Ų1039.4 Ų39.410%0.10321%0.207CC..THydrogen-bonded Turntrans85-171.4171.900000115.4R301G272-R301 PolarHBondContact O-NH1 3.14Å
273S92.8Very high96.7Very high22 Ų2233.7 Ų33.715%0.15418%0.181CC..THydrogen-bonded Turntrans-90.4-12-17157.20000115Q17 R301Q17-S273 WeakPolarHBondContact CB-OG 3.21Å; S273-R301 VanDerWaalsContact O-CZ 3.23Å; S273-R301 PolarHBondContact O-NE 3.4Å; S273-R301 PolarHBondContact O-NH1 3.13Å
274L92.2Very high96.7Very high58 Ų5830.2 Ų30.230%0.30416%0.161SC..THydrogen-bonded Turntrans-122.6-28.3-171.9-66.4170.5000113.3L16 V74 W372L16-L274 HydrophobicContact CB-CD1 4.39Å; L16-L274 HydrophobicContact CD1-CD1 4.27Å; L16-L274 HydrophobicContact CD2-CD1 4.12Å; L16-L274 HydrophobicContact CD2-CD2 4.21Å; V74-L274 HydrophobicContact CG2-CD2 4.33Å; L274-W372 HydrophobicContact CB-CH2 3.82Å; L274-W372 HydrophobicContact CB-CZ3 4.11Å; L274-W372 HydrophobicContact CD1-CH2 3.38Å; L274-W372 HydrophobicContact CD1-CZ3 3.56Å; L274-W372 HydrophobicContact CG-CH2 4.16Å; L274-W372 HydrophobicContact CG-CZ3 4.44Å
275V93.1Very high96.7Very high12 Ų1225.7 Ų25.77%0.07314%0.142CC..  trans-62.2142.3176.8-179.90000109.7I271 I277 R301 H349 F370I271-V275 HydrophobicContact CB-CB 4.32Å; I271-V275 HydrophobicContact CB-CG1 4.28Å; I271-V275 HydrophobicContact CD1-CB 4.44Å; I271-V275 HydrophobicContact CD1-CG1 3.99Å; I271-V275 HydrophobicContact CG1-CB 4.41Å; I271-V275 HydrophobicContact CG1-CG1 4.41Å; I271-V275 WeakPolarHBondContact O-CB 3.13Å; I271-V275 WeakPolarHBondContact O-CG2 3.02Å; V275-I277 HydrophobicContact CG1-CG2 4.5Å; V275-R301 PolarHBondContact O-NH1 2.69Å; V275-R301 PolarHBondContact O-NH2 3.25Å; V275-H349 HydrophobicContact CG2-CB 4.3Å; V275-F370 HydrophobicContact CB-CD2 4.42Å; V275-F370 HydrophobicContact CG1-CB 4.2Å; V275-F370 HydrophobicContact CG1-CD1 3.77Å; V275-F370 HydrophobicContact CG1-CD2 3.56Å; V275-F370 HydrophobicContact CG1-CE1 3.98Å; V275-F370 HydrophobicContact CG1-CE2 3.78Å; V275-F370 HydrophobicContact CG1-CG 3.56Å; V275-F370 HydrophobicContact CG1-CZ 3.98Å; V275-F370 HydrophobicContact CG2-CB 4.13Å; V275-F370 HydrophobicContact CG2-CD2 3.98Å; V275-F370 HydrophobicContact CG2-CG 4.18Å
276T94.3Very high96.7Very high39 Ų3925 Ų2524%0.23914%0.137CC..  trans-127145.9170.158.30000108.9S304T276-S304 CarbonylContact C-O 3.52Å; T276-S304 WeakPolarHBondContact CA-O 3.47Å; T276-S304 WeakPolarHBondContact CB-O 3.45Å
277I95.7Very high96.7Very high2 Ų227.5 Ų27.51%0.0115%0.146CC..BIsolated β-bridgetrans-122.5160.3177.157.5174.4000110I271 V275 E281 L282 I285 S304 V305 N306 F370I271-I277 HydrophobicContact CD1-CD1 4.19Å; I271-I277 HydrophobicContact CD1-CG1 4.26Å; I271-I277 HydrophobicContact CD1-CG2 3.69Å; V275-I277 HydrophobicContact CG1-CG2 4.5Å; I277-E281 WeakPolarHBondContact CA-OE2 3.45Å; I277-E281 HydrophobicContact CB-CB 3.94Å; I277-E281 VanDerWaalsContact CB-OE2 3.27Å; I277-E281 WeakPolarHBondContact CB-OE2 3.44Å; I277-E281 HydrophobicContact CG2-CB 4.38Å; I277-L282 HydrophobicContact CD1-CB 3.97Å; I277-L282 HydrophobicContact CD1-CD1 4Å; I277-I285 HydrophobicContact CD1-CD1 4.05Å; I277-S304 PolarHBondContact N-O 3.45Å; I277-V305 HydrophobicContact CG1-CG2 4.36Å; I277-V305 CarbonylContact O-C 3.49Å; I277-V305 WeakPolarHBondContact O-CA 3.3Å; I277-N306 PolarHBondContact O-N 2.92Å; I277-F370 HydrophobicContact CG2-CE1 3.98Å; I277-F370 HydrophobicContact CG2-CZ 4Å
278N96.3Very high96.7Very high59 Ų5927.5 Ų27.532%0.31615%0.146SC..  trans-86170.6170.867.156.7000111.5T280 E281 L282N278-T280 VanDerWaalsContact C-N 3.28Å; N278-T280 PolarHBondContact O-N 2.92Å; N278-T280 WeakPolarHBondContact OD1-CA 3.47Å; N278-T280 WeakPolarHBondContact OD1-CB 3.43Å; N278-T280 PolarHBondContact OD1-N 2.61Å; N278-E281 PolarHBondContact N-OE2 2.85Å; N278-E281 VanDerWaalsContact ND2-CD 3.27Å; N278-E281 PolarHBondContact ND2-OE2 3.12Å; N278-E281 PolarHBondContact O-N 3.38Å; N278-E281 PolarHBondContact OD1-N 3.35Å; N278-L282 PolarHBondContact O-N 2.8Å
279E96.8Very high96.7Very high90 Ų9027.4 Ų27.442%0.42115%0.146SC..Hα-helixtrans-62.2-34.5-179.5-63.1-179.4-178.900112.6L282 M283 V305 T308 A313E279-L282 WeakPolarHBondContact O-CB 3.47Å; E279-L282 PolarHBondContact O-N 3.42Å; E279-M283 WeakPolarHBondContact O-CB 3.27Å; E279-M283 WeakPolarHBondContact O-CG 3.17Å; E279-M283 PolarHBondContact O-N 3.2Å; E279-V305 HydrophobicContact CG-CG1 4.16Å; E279-T308 WeakPolarHBondContact OE1-CG2 3.44Å; E279-A313 HydrophobicContact CB-CB 4.1Å; E279-A313 HydrophobicContact CG-CB 3.79Å
280T97Very high96.6Very high97 Ų9728.1 Ų28.160%0.59515%0.151SC*.Hα-helixtrans-63.7-49.7176.4-52.10000110.9N278 L282 M283 E284N278-T280 VanDerWaalsContact C-N 3.28Å; N278-T280 PolarHBondContact O-N 2.92Å; N278-T280 WeakPolarHBondContact OD1-CA 3.47Å; N278-T280 WeakPolarHBondContact OD1-CB 3.43Å; N278-T280 PolarHBondContact OD1-N 2.61Å; T280-L282 VanDerWaalsContact C-N 3.32Å; T280-L282 PolarHBondContact O-N 2.82Å; T280-M283 PolarHBondContact O-N 3.31Å; T280-M283 VanDerWaalsContact O-N 3.13Å; T280-E284 WeakPolarHBondContact O-CG 3.45Å; T280-E284 PolarHBondContact O-N 2.79Å
281E97.6Very high96.6Very high49 Ų4930.3 Ų30.323%0.22916%0.162CC..Hα-helixtrans-60.6-40.7176.6-71168.5151.100111.6I277 N278 M283 E284 I285 I395I277-E281 WeakPolarHBondContact CA-OE2 3.45Å; I277-E281 HydrophobicContact CB-CB 3.94Å; I277-E281 VanDerWaalsContact CB-OE2 3.27Å; I277-E281 WeakPolarHBondContact CB-OE2 3.44Å; I277-E281 HydrophobicContact CG2-CB 4.38Å; N278-E281 PolarHBondContact N-OE2 2.85Å; N278-E281 VanDerWaalsContact ND2-CD 3.27Å; N278-E281 PolarHBondContact ND2-OE2 3.12Å; N278-E281 PolarHBondContact O-N 3.38Å; N278-E281 PolarHBondContact OD1-N 3.35Å; E281-M283 VanDerWaalsContact C-N 3.32Å; E281-M283 PolarHBondContact O-N 3.22Å; E281-E284 PolarHBondContact O-N 3.3Å; E281-I285 WeakPolarHBondContact O-CD1 3.44Å; E281-I285 VanDerWaalsContact O-CG1 3.26Å; E281-I285 WeakPolarHBondContact O-CG1 3.02Å; E281-I285 PolarHBondContact O-N 3.39Å; E281-I395 HydrophobicContact CB-CG2 4.15Å; E281-I395 HydrophobicContact CG-CD1 4.06Å; E281-I395 HydrophobicContact CG-CG2 4.26Å
282L98Very high96.7Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-58-46.7173.7-178.778.4000111I277 N278 E279 T280 I285 A286 W298 V300 V305 A313 I314I277-L282 HydrophobicContact CD1-CB 3.97Å; I277-L282 HydrophobicContact CD1-CD1 4Å; N278-L282 PolarHBondContact O-N 2.8Å; E279-L282 WeakPolarHBondContact O-CB 3.47Å; E279-L282 PolarHBondContact O-N 3.42Å; T280-L282 VanDerWaalsContact C-N 3.32Å; T280-L282 PolarHBondContact O-N 2.82Å; L282-I285 PolarHBondContact O-N 2.97Å; L282-A286 WeakPolarHBondContact O-CB 3.28Å; L282-A286 PolarHBondContact O-N 2.98Å; L282-W298 HydrophobicContact CD1-CH2 3.36Å; L282-W298 HydrophobicContact CD1-CZ2 3.46Å; L282-W298 VanDerWaalsContact CD1-CZ2 3.46Å; L282-W298 HydrophobicContact CD1-CZ3 4.48Å; L282-W298 HydrophobicContact CG-CH2 4Å; L282-W298 HydrophobicContact CG-CZ2 4.46Å; L282-V300 HydrophobicContact CD1-CG1 4.35Å; L282-V300 HydrophobicContact CD1-CG2 4.34Å; L282-V305 HydrophobicContact CD1-CG2 3.81Å; L282-V305 HydrophobicContact CD2-CG1 4.08Å; L282-V305 HydrophobicContact CD2-CG2 4.02Å; L282-V305 HydrophobicContact CG-CG2 4.36Å; L282-A313 HydrophobicContact CD2-CB 4.09Å; L282-I314 HydrophobicContact CD2-CD1 4.08Å; L282-I314 HydrophobicContact CD2-CG1 3.7Å; L282-I314 HydrophobicContact CG-CD1 4.21Å; L282-I314 HydrophobicContact CG-CG1 4.23Å
283M98Very high96.9Very high36 Ų3633.9 Ų33.918%0.17718%0.179CC..Hα-helixtrans-67.8-39.6-179.7-76-58.2-56.400112.6E279 T280 E281 A286 W287 I314 F318E279-M283 WeakPolarHBondContact O-CB 3.27Å; E279-M283 WeakPolarHBondContact O-CG 3.17Å; E279-M283 PolarHBondContact O-N 3.2Å; T280-M283 PolarHBondContact O-N 3.31Å; T280-M283 VanDerWaalsContact O-N 3.13Å; E281-M283 VanDerWaalsContact C-N 3.32Å; E281-M283 PolarHBondContact O-N 3.22Å; M283-A286 PolarHBondContact O-N 3.24Å; M283-W287 WeakPolarHBondContact O-CB 3.1Å; M283-W287 PolarHBondContact O-N 3.47Å; M283-I314 HydrophobicContact SD-CB 4.48Å; M283-I314 HydrophobicContact SD-CG1 4.21Å; M283-I314 HydrophobicContact SD-CG2 4.48Å; M283-F318 HydrophobicContact CE-CD1 3.96Å; M283-F318 HydrophobicContact CE-CE1 4.04Å
284E98.5Very high97.1Very high34 Ų3434.3 Ų34.316%0.15918%0.179CC..Hα-helixtrans-64.1-41.2175.3-69.3-56135.300111.6T280 E281 W287 G288 I395 R397T280-E284 WeakPolarHBondContact O-CG 3.45Å; T280-E284 PolarHBondContact O-N 2.79Å; E281-E284 PolarHBondContact O-N 3.3Å; E284-W287 PolarHBondContact O-N 2.78Å; E284-G288 PolarHBondContact O-N 3.25Å; E284-I395 HydrophobicContact CB-CG2 4.36Å; E284-I395 WeakPolarHBondContact CB-O 3.46Å; E284-I395 WeakPolarHBondContact CG-O 3.49Å; E284-R397 WeakPolarHBondContact O-CA 3.42Å; E284-R397 IonicContact OE1-CZ 3.85Å; E284-R397 IonicContact OE1-NE 3.21Å; E284-R397 PolarHBondContact OE1-NE 2.85Å; E284-R397 IonicContact OE1-NH2 3.91Å; E284-R397 PolarHBondContact OE1-NH2 3.45Å; E284-R397 VanDerWaalsContact OE2-CB 3.3Å; E284-R397 WeakPolarHBondContact OE2-CB 3.47Å; E284-R397 WeakPolarHBondContact OE2-CG 3.21Å; E284-R397 IonicContact OE2-CZ 3.51Å; E284-R397 PolarHBondContact OE2-N 3.18Å; E284-R397 IonicContact OE2-NE 2.86Å; E284-R397 PolarHBondContact OE2-NE 3.16Å; E284-R397 IonicContact OE2-NH2 3.31Å
285I98.4Very high97.4Very high1 Ų132.8 Ų32.81%0.00517%0.172CC..Hα-helixtrans-62.2-46.8173-66.1163.4000110.8I277 E281 L282 W287 G288 L289 W298 I395 I400I277-I285 HydrophobicContact CD1-CD1 4.05Å; E281-I285 WeakPolarHBondContact O-CD1 3.44Å; E281-I285 VanDerWaalsContact O-CG1 3.26Å; E281-I285 WeakPolarHBondContact O-CG1 3.02Å; E281-I285 PolarHBondContact O-N 3.39Å; L282-I285 PolarHBondContact O-N 2.97Å; I285-W287 PolarHBondContact O-N 3.28Å; I285-G288 PolarHBondContact O-N 2.73Å; I285-L289 HydrophobicContact CG2-CD1 3.8Å; I285-L289 HydrophobicContact CG2-CG 4.29Å; I285-L289 WeakPolarHBondContact O-CB 3.47Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 2.92Å; I285-L289 PolarHBondContact O-N 3.07Å; I285-W298 HydrophobicContact CB-CH2 4.38Å; I285-W298 HydrophobicContact CB-CZ2 4.08Å; I285-W298 HydrophobicContact CG2-CD2 4.49Å; I285-W298 HydrophobicContact CG2-CH2 4.08Å; I285-W298 HydrophobicContact CG2-CZ2 3.58Å; I285-I395 HydrophobicContact CD1-CG2 4.31Å; I285-I395 HydrophobicContact CG1-CG2 3.96Å; I285-I400 HydrophobicContact CB-CD1 4.19Å; I285-I400 HydrophobicContact CG1-CD1 3.66Å
286A98.4Very high97.7Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-60.2-44179.100000112.1L282 M283 S290 W298 I314 F318 L322L282-A286 WeakPolarHBondContact O-CB 3.28Å; L282-A286 PolarHBondContact O-N 2.98Å; M283-A286 PolarHBondContact O-N 3.24Å; A286-S290 WeakPolarHBondContact O-CB 3.24Å; A286-S290 PolarHBondContact O-N 3.1Å; A286-W298 HydrophobicContact CB-CH2 4.06Å; A286-W298 HydrophobicContact CB-CZ3 3.9Å; A286-I314 HydrophobicContact CB-CD1 4.39Å; A286-F318 HydrophobicContact CB-CE1 3.64Å; A286-F318 HydrophobicContact CB-CZ 4.27Å; A286-L322 HydrophobicContact CB-CD1 4.11Å; A286-L322 WeakPolarHBondContact O-CD2 3.38Å
287W98.5Very high97.9Very high52 Ų5230.5 Ų30.520%0.19716%0.158CC..Hα-helixtrans-65.3-45.2175.1-81.6115.9000112.6M283 E284 I285 L289 S290 N291 F318 R397M283-W287 WeakPolarHBondContact O-CB 3.1Å; M283-W287 PolarHBondContact O-N 3.47Å; E284-W287 PolarHBondContact O-N 2.78Å; I285-W287 PolarHBondContact O-N 3.28Å; W287-L289 VanDerWaalsContact C-N 3.32Å; W287-L289 PolarHBondContact O-N 3.49Å; W287-S290 PolarHBondContact O-N 3.08Å; W287-N291 WeakPolarHBondContact O-CB 3.08Å; W287-N291 PolarHBondContact O-N 2.85Å; W287-N291 PolarHBondContact O-OD1 3.08Å; W287-F318 HydrophobicContact CD2-CE1 4.04Å; W287-F318 HydrophobicContact CD2-CE2 4.29Å; W287-F318 AromaticContact CD2-CZ 3.64Å; W287-F318 HydrophobicContact CD2-CZ 3.64Å; W287-F318 AromaticContact CE2-CE1 3.98Å; W287-F318 AromaticContact CE2-CZ 3.95Å; W287-F318 AromaticContact CE3-CE2 3.96Å; W287-F318 HydrophobicContact CE3-CE2 3.96Å; W287-F318 AromaticContact CE3-CZ 3.69Å; W287-F318 HydrophobicContact CE3-CZ 3.69Å; W287-F318 HydrophobicContact CG-CE1 4.27Å; W287-F318 HydrophobicContact CG-CZ 4.11Å; W287-F318 HydrophobicContact CH2-CD2 4.37Å; W287-F318 HydrophobicContact CH2-CE2 4.06Å; W287-F318 HydrophobicContact CH2-CZ 4.32Å; W287-F318 HydrophobicContact CZ2-CE1 4.4Å; W287-F318 HydrophobicContact CZ2-CE2 4.38Å; W287-F318 HydrophobicContact CZ2-CZ 4.28Å; W287-F318 AromaticContact CZ3-CE2 3.84Å; W287-F318 HydrophobicContact CZ3-CE2 3.84Å; W287-F318 HydrophobicContact CZ3-CZ 4.04Å; W287-R397 HydrophobicContact CB-CB 3.55Å; W287-R397 HydrophobicContact CB-CG 4.34Å
288G98.5Very high98Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-61.1-40.7178.100000112.7E284 I285 S292 R397E284-G288 PolarHBondContact O-N 3.25Å; I285-G288 PolarHBondContact O-N 2.73Å; G288-S292 WeakPolarHBondContact O-CB 3.38Å; G288-S292 PolarHBondContact O-N 3.03Å; G288-R397 VanDerWaalsContact CA-O 3.24Å; G288-R397 WeakPolarHBondContact CA-O 3.49Å
289L98.6Very high98.1Very high1 Ų128 Ų281%0.00515%0.145CC..Hα-helixtrans-63.5-49.8173.7-69.3169.9000111.5I267 V269 I285 W287 N291 S292 F296 W298 I404I267-L289 HydrophobicContact CG2-CD2 3.95Å; V269-L289 HydrophobicContact CG2-CD1 4.27Å; V269-L289 HydrophobicContact CG2-CD2 3.65Å; I285-L289 HydrophobicContact CG2-CD1 3.8Å; I285-L289 HydrophobicContact CG2-CG 4.29Å; I285-L289 WeakPolarHBondContact O-CB 3.47Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 2.92Å; I285-L289 PolarHBondContact O-N 3.07Å; W287-L289 VanDerWaalsContact C-N 3.32Å; W287-L289 PolarHBondContact O-N 3.49Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 3.22Å; L289-S292 PolarHBondContact O-N 3.24Å; L289-S292 PolarHBondContact O-OG 3.17Å; L289-F296 HydrophobicContact CB-CD1 3.98Å; L289-F296 HydrophobicContact CB-CD2 4.47Å; L289-F296 HydrophobicContact CB-CE1 4.06Å; L289-F296 HydrophobicContact CB-CG 4.19Å; L289-F296 HydrophobicContact CB-CZ 4.35Å; L289-F296 HydrophobicContact CD1-CD2 3.99Å; L289-F296 HydrophobicContact CD1-CE2 4.25Å; L289-F296 HydrophobicContact CD1-CG 4.34Å; L289-F296 HydrophobicContact CD2-CB 3.93Å; L289-F296 HydrophobicContact CD2-CG 4.1Å; L289-F296 HydrophobicContact CG-CG 4.45Å; L289-W298 HydrophobicContact CD1-CB 4.28Å; L289-W298 HydrophobicContact CD1-CD2 3.89Å; L289-W298 HydrophobicContact CD1-CE3 3.87Å; L289-W298 HydrophobicContact CD1-CG 4.1Å; L289-W298 HydrophobicContact CD1-CZ3 4.47Å; L289-I404 HydrophobicContact CD2-CD1 3.72Å
290S98.1Very high98.2Very high17 Ų1723.9 Ų23.912%0.11913%0.125CC..Hα-helixtrans-62.2-37.6179.5-175.80000112.9A286 W287 R321A286-S290 WeakPolarHBondContact O-CB 3.24Å; A286-S290 PolarHBondContact O-N 3.1Å; W287-S290 PolarHBondContact O-N 3.08Å; S290-R321 PolarHBondContact OG-NE 3.05Å; S290-R321 VanDerWaalsContact OG-NE 3.11Å; S290-R321 PolarHBondContact OG-NH2 3.45Å
291N98.2Very high98.1Very high48 Ų4820.3 Ų20.326%0.25710%0.101SC..Hα-helixtrans-80-26.5-176.9-66.4-8.1000112.7W287 L289 D293 E401W287-N291 WeakPolarHBondContact O-CB 3.08Å; W287-N291 PolarHBondContact O-N 2.85Å; W287-N291 PolarHBondContact O-OD1 3.08Å; L289-N291 VanDerWaalsContact C-N 3.31Å; L289-N291 PolarHBondContact O-N 3.22Å; N291-D293 PolarHBondContact O-N 2.95Å; N291-E401 HydrophobicContact CB-CB 4.38Å; N291-E401 HydrophobicContact CB-CG 4.13Å; N291-E401 WeakPolarHBondContact CB-OE2 3.46Å
292S97.9Very high98.1Very high0 Ų021.9 Ų21.90%011%0.114CC..Hα-helixtrans-57.7-22.4174.675.70000113.6G288 L289 Q294G288-S292 WeakPolarHBondContact O-CB 3.38Å; G288-S292 PolarHBondContact O-N 3.03Å; L289-S292 PolarHBondContact O-N 3.24Å; L289-S292 PolarHBondContact O-OG 3.17Å; S292-Q294 WeakPolarHBondContact O-CG 3.49Å; S292-Q294 PolarHBondContact O-N 2.87Å; S292-Q294 VanDerWaalsContact O-N 3.11Å; S292-Q294 PolarHBondContact OG-N 3.33Å
293D97Very high97.8Very high94 Ų9423.2 Ų23.250%0.50313%0.127SC..  trans6113.6-178-156.147.9000114N291 K325N291-D293 PolarHBondContact O-N 2.95Å; D293-K325 PolarHBondContact O-NZ 3.31Å; D293-K325 WeakPolarHBondContact OD1-CE 2.95Å; D293-K325 IonicContact OD1-NZ 3.16Å; D293-K325 PolarHBondContact OD1-NZ 3.47Å; D293-K325 IonicContact OD2-NZ 2.79Å; D293-K325 PolarHBondContact OD2-NZ 3.3Å
294Q98.1Very high97.7Very high32 Ų3221.5 Ų21.515%0.1512%0.119CC..SBendtrans-98147.5178.2-60-53.6-67.700111.7S292 I404 L408S292-Q294 WeakPolarHBondContact O-CG 3.49Å; S292-Q294 PolarHBondContact O-N 2.87Å; S292-Q294 VanDerWaalsContact O-N 3.11Å; S292-Q294 PolarHBondContact OG-N 3.33Å; Q294-I404 HydrophobicContact CB-CG2 4.1Å; Q294-I404 HydrophobicContact CG-CG2 3.91Å; Q294-L408 HydrophobicContact CB-CD1 4.12Å; Q294-L408 HydrophobicContact CG-CD1 3.94Å
295P98.6Very high97.6Very high25 Ų2519.9 Ų19.916%0.16211%0.112CC..  trans-57.8139.8170.1-24.434.7000112W257 V266 I267 K325W257-P295 HydrophobicContact CH2-CB 4.47Å; V266-P295 CarbonylContact C-O 3.6Å; V266-P295 VanDerWaalsContact CA-O 3.3Å; V266-P295 WeakPolarHBondContact CA-O 3.48Å; V266-P295 HydrophobicContact CG2-CB 3.97Å; I267-P295 PolarHBondContact N-O 3.35Å; P295-K325 VanDerWaalsContact CA-O 3.27Å; P295-K325 WeakPolarHBondContact CA-O 3.17Å
296F98.8Very high97.3Very high3 Ų322.6 Ų22.61%0.01313%0.126CC..EExtended strand (participates in β ladder)trans-139143.9179.963.7-93.4000113.5W257 I267 L289 W298 L322 G326 K327 I328W257-F296 VanDerWaalsContact CH2-O 3.24Å; W257-F296 WeakPolarHBondContact CH2-O 3.36Å; I267-F296 HydrophobicContact CG2-CB 3.47Å; I267-F296 VanDerWaalsContact CG2-CB 3.47Å; I267-F296 CarbonylContact O-C 3.51Å; I267-F296 VanDerWaalsContact O-CA 3.25Å; I267-F296 WeakPolarHBondContact O-CA 3.24Å; L289-F296 HydrophobicContact CB-CD1 3.98Å; L289-F296 HydrophobicContact CB-CD2 4.47Å; L289-F296 HydrophobicContact CB-CE1 4.06Å; L289-F296 HydrophobicContact CB-CG 4.19Å; L289-F296 HydrophobicContact CB-CZ 4.35Å; L289-F296 HydrophobicContact CD1-CD2 3.99Å; L289-F296 HydrophobicContact CD1-CE2 4.25Å; L289-F296 HydrophobicContact CD1-CG 4.34Å; L289-F296 HydrophobicContact CD2-CB 3.93Å; L289-F296 HydrophobicContact CD2-CG 4.1Å; L289-F296 HydrophobicContact CG-CG 4.45Å; F296-W298 HydrophobicContact CD2-CB 4.04Å; F296-W298 HydrophobicContact CE2-CB 4.41Å; F296-L322 HydrophobicContact CE1-CD2 4.24Å; F296-L322 HydrophobicContact CE2-CD2 4.44Å; F296-L322 HydrophobicContact CZ-CB 3.94Å; F296-L322 HydrophobicContact CZ-CD2 3.6Å; F296-L322 HydrophobicContact CZ-CG 4.37Å; F296-L322 WeakPolarHBondContact CZ-O 3.34Å; F296-G326 CarbonylContact O-C 3.51Å; F296-G326 WeakPolarHBondContact O-CA 3.43Å; F296-K327 PolarHBondContact O-N 3.06Å; F296-I328 HydrophobicContact CE2-CG1 4.41Å
297L98.8Very high97Very high0 Ų026.3 Ų26.30%017%0.165CC..EExtended strand (participates in β ladder)trans-112.4111.2166.6174.361.9000108.3C254 W257 L258 V266 I267 Y268 V269 K327 V329 V337C254-L297 HydrophobicContact CB-CD1 3.71Å; C254-L297 HydrophobicContact CB-CD2 3.93Å; W257-L297 HydrophobicContact CZ3-CB 4.01Å; L258-L297 HydrophobicContact CD1-CD2 4.06Å; L258-L297 HydrophobicContact CD2-CD2 4.46Å; L258-L297 HydrophobicContact CG-CD2 4.42Å; V266-L297 HydrophobicContact CG1-CB 4.27Å; I267-L297 PolarHBondContact O-N 3.16Å; Y268-L297 CarbonylContact C-O 3.56Å; Y268-L297 WeakPolarHBondContact CA-O 3.47Å; Y268-L297 HydrophobicContact CD2-CB 4.28Å; Y268-L297 HydrophobicContact CD2-CD2 4.03Å; Y268-L297 HydrophobicContact CD2-CG 4.03Å; Y268-L297 WeakPolarHBondContact CD2-O 3.47Å; Y268-L297 HydrophobicContact CE2-CD2 4.34Å; Y268-L297 HydrophobicContact CE2-CG 4.43Å; V269-L297 PolarHBondContact N-O 3.41Å; L297-K327 WeakPolarHBondContact CA-O 3.44Å; L297-K327 HydrophobicContact CD1-CB 4.18Å; L297-K327 HydrophobicContact CD1-CG 4.33Å; L297-V329 HydrophobicContact CD1-CG1 4.16Å; L297-V329 HydrophobicContact CD1-CG2 4.04Å; L297-V337 HydrophobicContact CD2-CB 4.5Å; L297-V337 HydrophobicContact CD2-CG1 3.77Å; L297-V337 HydrophobicContact CD2-CG2 3.82Å
298W98.7Very high96.7Very high4 Ų425.2 Ų25.22%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-111.9119.7-175-176.120.7000112.3V269 L282 I285 A286 L289 F296 V300 I314 K327 I328 V329V269-W298 HydrophobicContact CB-CB 4.26Å; V269-W298 HydrophobicContact CB-CG 4.15Å; V269-W298 VanDerWaalsContact CG1-CD1 3.48Å; V269-W298 HydrophobicContact CG1-CG 4.27Å; L282-W298 HydrophobicContact CD1-CH2 3.36Å; L282-W298 HydrophobicContact CD1-CZ2 3.46Å; L282-W298 VanDerWaalsContact CD1-CZ2 3.46Å; L282-W298 HydrophobicContact CD1-CZ3 4.48Å; L282-W298 HydrophobicContact CG-CH2 4Å; L282-W298 HydrophobicContact CG-CZ2 4.46Å; I285-W298 HydrophobicContact CB-CH2 4.38Å; I285-W298 HydrophobicContact CB-CZ2 4.08Å; I285-W298 HydrophobicContact CG2-CD2 4.49Å; I285-W298 HydrophobicContact CG2-CH2 4.08Å; I285-W298 HydrophobicContact CG2-CZ2 3.58Å; A286-W298 HydrophobicContact CB-CH2 4.06Å; A286-W298 HydrophobicContact CB-CZ3 3.9Å; L289-W298 HydrophobicContact CD1-CB 4.28Å; L289-W298 HydrophobicContact CD1-CD2 3.89Å; L289-W298 HydrophobicContact CD1-CE3 3.87Å; L289-W298 HydrophobicContact CD1-CG 4.1Å; L289-W298 HydrophobicContact CD1-CZ3 4.47Å; F296-W298 HydrophobicContact CD2-CB 4.04Å; F296-W298 HydrophobicContact CE2-CB 4.41Å; W298-V300 HydrophobicContact CD2-CG2 3.64Å; W298-V300 HydrophobicContact CE3-CG2 4.15Å; W298-V300 HydrophobicContact CG-CG2 4.09Å; W298-V300 HydrophobicContact CH2-CG2 4.18Å; W298-V300 HydrophobicContact CZ2-CG2 3.66Å; W298-V300 HydrophobicContact CZ3-CG2 4.39Å; W298-I314 HydrophobicContact CH2-CD1 4.19Å; W298-I314 HydrophobicContact CZ3-CD1 3.94Å; W298-K327 PolarHBondContact N-O 3.2Å; W298-I328 HydrophobicContact CB-CG1 4.49Å; W298-I328 HydrophobicContact CE3-CD1 3.84Å; W298-I328 HydrophobicContact CE3-CG1 4.02Å; W298-I328 HydrophobicContact CE3-CG2 4.47Å; W298-I328 HydrophobicContact CZ3-CD1 4.16Å; W298-I328 CarbonylContact O-C 3.59Å; W298-I328 VanDerWaalsContact O-CA 3.31Å; W298-I328 WeakPolarHBondContact O-CA 3.43Å; W298-V329 PolarHBondContact O-N 3.39Å
299V98.5Very high96.4Very high5 Ų532.4 Ų32.43%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-88113.4171.5179.90000109.3Y268 V269 V329 W331 A332Y268-V299 HydrophobicContact CE2-CG2 3.62Å; V269-V299 PolarHBondContact O-N 3.3Å; V299-V329 WeakPolarHBondContact CA-O 3.22Å; V299-V329 HydrophobicContact CG2-CG2 3.89Å; V299-W331 HydrophobicContact CG1-CE3 4.09Å; V299-A332 HydrophobicContact CG2-CB 3.58Å
300V98Very high96.3Very high3 Ų335 Ų352%0.01821%0.207CC..  trans-111.7111.5166.2-175.90000107L282 W298 V305 W310 I311 I328 V329 K330L282-V300 HydrophobicContact CD1-CG1 4.35Å; L282-V300 HydrophobicContact CD1-CG2 4.34Å; W298-V300 HydrophobicContact CD2-CG2 3.64Å; W298-V300 HydrophobicContact CE3-CG2 4.15Å; W298-V300 HydrophobicContact CG-CG2 4.09Å; W298-V300 HydrophobicContact CH2-CG2 4.18Å; W298-V300 HydrophobicContact CZ2-CG2 3.66Å; W298-V300 HydrophobicContact CZ3-CG2 4.39Å; V300-V305 HydrophobicContact CG1-CG2 3.99Å; V300-W310 VanDerWaalsContact O-CD1 3.23Å; V300-W310 PolarHBondContact O-NE1 3.09Å; V300-I311 HydrophobicContact CB-CG2 3.93Å; V300-I311 HydrophobicContact CG1-CG2 3.76Å; V300-I311 HydrophobicContact CG2-CG2 4.03Å; V300-I328 HydrophobicContact CB-CG2 4.37Å; V300-I328 HydrophobicContact CG2-CG2 3.91Å; V300-V329 PolarHBondContact N-O 2.97Å; V300-K330 VanDerWaalsContact O-CA 3.3Å; V300-K330 WeakPolarHBondContact O-CA 3.32Å
301R95.9Very high96.2Very high23 Ų2334.9 Ų34.99%0.08721%0.205CC..  trans-75.2140.2-178.3-178.1-168.173.8-113.44.1109.7F248 G272 S273 V275 G303 S304 K330 W331F248-R301 HydrophobicContact CD1-CG 4.47Å; F248-R301 HydrophobicContact CE1-CG 4.06Å; F248-R301 HydrophobicContact CZ-CG 4.44Å; G272-R301 PolarHBondContact O-NH1 3.14Å; S273-R301 VanDerWaalsContact O-CZ 3.23Å; S273-R301 PolarHBondContact O-NE 3.4Å; S273-R301 PolarHBondContact O-NH1 3.13Å; V275-R301 PolarHBondContact O-NH1 2.69Å; V275-R301 PolarHBondContact O-NH2 3.25Å; R301-G303 PolarHBondContact O-N 2.88Å; R301-S304 PolarHBondContact N-OG 3.35Å; R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.37Å; R301-S304 PolarHBondContact O-N 3.16Å; R301-S304 PolarHBondContact O-OG 3Å; R301-K330 WeakPolarHBondContact CA-O 3.39Å; R301-W331 HydrophobicContact CB-CE3 4.34Å; R301-W331 HydrophobicContact CB-CZ3 4.34Å; R301-W331 HydrophobicContact CG-CE3 4.22Å; R301-W331 HydrophobicContact CG-CZ3 4.25Å
302V95.6Very high96.1Very high81 Ų8137.8 Ų37.849%0.49122%0.217SC..THydrogen-bonded Turntrans-55.1129.5171.6177.70000109.5S304 E309 K330V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 PolarHBondContact O-N 2.73Å; V302-E309 CarbonylContact C-O 3.58Å; V302-E309 WeakPolarHBondContact CA-O 3.41Å; V302-E309 WeakPolarHBondContact CG1-O 3.3Å; V302-K330 HydrophobicContact CG2-CB 4.35Å; V302-K330 HydrophobicContact CG2-CD 3.7Å; V302-K330 HydrophobicContact CG2-CG 3.95Å
303G93.2Very high96Very high28 Ų2839 Ų3929%0.28923%0.228SC..THydrogen-bonded Turntrans74.67.8-176.200000115.5R72 R301 E309R72-G303 PolarHBondContact NH2-O 2.63Å; R72-G303 VanDerWaalsContact NH2-O 3.12Å; R301-G303 PolarHBondContact O-N 2.88Å; G303-E309 PolarHBondContact N-O 3.05Å
304S94.6Very high96Very high1 Ų134.8 Ų34.81%0.00721%0.205CC..  trans-81.1-14.9174.570.90000114.3T276 I277 R301 V302T276-S304 CarbonylContact C-O 3.52Å; T276-S304 WeakPolarHBondContact CA-O 3.47Å; T276-S304 WeakPolarHBondContact CB-O 3.45Å; I277-S304 PolarHBondContact N-O 3.45Å; R301-S304 PolarHBondContact N-OG 3.35Å; R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.37Å; R301-S304 PolarHBondContact O-N 3.16Å; R301-S304 PolarHBondContact O-OG 3Å; V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 PolarHBondContact O-N 2.73Å
305V96.5Very high95.9Very high0 Ų035.6 Ų35.60%021%0.213CC..BIsolated β-bridgetrans-98.4128.3175-174.70000108.4I277 E279 L282 V300 G307 T308 W310I277-V305 HydrophobicContact CG1-CG2 4.36Å; I277-V305 CarbonylContact O-C 3.49Å; I277-V305 WeakPolarHBondContact O-CA 3.3Å; E279-V305 HydrophobicContact CG-CG1 4.16Å; L282-V305 HydrophobicContact CD1-CG2 3.81Å; L282-V305 HydrophobicContact CD2-CG1 4.08Å; L282-V305 HydrophobicContact CD2-CG2 4.02Å; L282-V305 HydrophobicContact CG-CG2 4.36Å; V300-V305 HydrophobicContact CG1-CG2 3.99Å; V305-G307 PolarHBondContact O-N 2.97Å; V305-T308 VanDerWaalsContact CB-OG1 3.31Å; V305-T308 WeakPolarHBondContact CB-OG1 3.42Å; V305-T308 WeakPolarHBondContact CG1-OG1 3.46Å; V305-W310 VanDerWaalsContact CG2-O 3.22Å; V305-W310 WeakPolarHBondContact CG2-O 3.44Å
306N93.3Very high95.8Very high57 Ų5740.7 Ų40.731%0.30523%0.234SC..THydrogen-bonded Turntrans-69.6131178.7-61.9-19000109.7R72 I277 T308R72-N306 PolarHBondContact NH1-OD1 3.29Å; I277-N306 PolarHBondContact O-N 2.92Å; N306-T308 VanDerWaalsContact C-N 3.35Å
307G90.9Very high95.6Very high79 Ų7948 Ų4881%0.81426%0.263SS*.THydrogen-bonded Turntrans90.1-11.9177.400000115.3V305V305-G307 PolarHBondContact O-N 2.97Å
308T93Very high95.5Very high29 Ų2948 Ų4818%0.17826%0.263CS..SBendtrans-131.8165.6-178.554.70000112.1E279 V305 N306 E312 A313E279-T308 WeakPolarHBondContact OE1-CG2 3.44Å; V305-T308 VanDerWaalsContact CB-OG1 3.31Å; V305-T308 WeakPolarHBondContact CB-OG1 3.42Å; V305-T308 WeakPolarHBondContact CG1-OG1 3.46Å; N306-T308 VanDerWaalsContact C-N 3.35Å; T308-E312 WeakPolarHBondContact CB-OE2 3.38Å; T308-E312 HydrophobicContact CG2-CB 4.4Å; T308-A313 HydrophobicContact CG2-CB 4.13Å
309E93Very high95.5Very high151 Ų15149.7 Ų49.771%0.70627%0.272SS*.SBendtrans-80.3-36.4177.6-68-166.8163.600111.5V302 G303 E312V302-E309 CarbonylContact C-O 3.58Å; V302-E309 WeakPolarHBondContact CA-O 3.41Å; V302-E309 WeakPolarHBondContact CG1-O 3.3Å; G303-E309 PolarHBondContact N-O 3.05Å; E309-E312 PolarHBondContact N-OE2 3.3Å
310W95.1Very high95.3Very high56 Ų5655.3 Ų55.321%0.21230%0.296CS..SBendtrans-151.4-88.3-177.1-173.438.5000113.4V300 V305 E312 I328 K330V300-W310 VanDerWaalsContact O-CD1 3.23Å; V300-W310 PolarHBondContact O-NE1 3.09Å; V305-W310 VanDerWaalsContact CG2-O 3.22Å; V305-W310 WeakPolarHBondContact CG2-O 3.44Å; W310-E312 WeakPolarHBondContact CA-OE2 3.36Å; W310-E312 PolarHBondContact N-OE2 3.17Å; W310-I328 HydrophobicContact CZ2-CG2 4.03Å; W310-K330 HydrophobicContact CD2-CG 4.14Å; W310-K330 HydrophobicContact CH2-CG 4.32Å; W310-K330 HydrophobicContact CZ2-CG 3.72Å
311I96.6Very high95.2Very high14 Ų1460.3 Ų60.37%0.07232%0.315CS..SBendtrans-128.318.4-174.862.4173.7000112.5V300 A313 I314 I319 I328V300-I311 HydrophobicContact CB-CG2 3.93Å; V300-I311 HydrophobicContact CG1-CG2 3.76Å; V300-I311 HydrophobicContact CG2-CG2 4.03Å; I311-A313 PolarHBondContact O-N 3.46Å; I311-A313 VanDerWaalsContact O-N 3.12Å; I311-I314 HydrophobicContact CB-CD1 4.12Å; I311-I314 HydrophobicContact CB-CG1 4.36Å; I311-I314 HydrophobicContact CG2-CD1 4.34Å; I311-I314 WeakPolarHBondContact O-CB 3.32Å; I311-I314 PolarHBondContact O-N 3.18Å; I311-I319 HydrophobicContact CD1-CD1 4.14Å; I311-I319 HydrophobicContact CG1-CD1 4.49Å; I311-I328 HydrophobicContact CG2-CG2 4.4Å
312E96Very high95.3Very high108 Ų10859.3 Ų59.351%0.50531%0.311SS..THydrogen-bonded Turntrans-62.7-21.4-176.3-60.874.8-159.400112.6T308 E309 W310 I314T308-E312 WeakPolarHBondContact CB-OE2 3.38Å; T308-E312 HydrophobicContact CG2-CB 4.4Å; E309-E312 PolarHBondContact N-OE2 3.3Å; W310-E312 WeakPolarHBondContact CA-OE2 3.36Å; W310-E312 PolarHBondContact N-OE2 3.17Å; E312-I314 PolarHBondContact O-N 2.85Å
313A95Very high95.3Very high27 Ų2759.6 Ų59.622%0.22331%0.309CS..THydrogen-bonded Turntrans-68.3-17.8172.700000113.4E279 L282 T308 I311 P315E279-A313 HydrophobicContact CB-CB 4.1Å; E279-A313 HydrophobicContact CG-CB 3.79Å; L282-A313 HydrophobicContact CD2-CB 4.09Å; T308-A313 HydrophobicContact CG2-CB 4.13Å; I311-A313 PolarHBondContact O-N 3.46Å; I311-A313 VanDerWaalsContact O-N 3.12Å; A313-P315 WeakPolarHBondContact O-CD 3.37Å
314I97.2Very high95.4Very high4 Ų465.6 Ų65.62%0.02133%0.33CS..SBendtrans-86.5120.4176.8-50.5-176.5000108.9L282 M283 A286 W298 I311 E312 F318 I319 L322L282-I314 HydrophobicContact CD2-CD1 4.08Å; L282-I314 HydrophobicContact CD2-CG1 3.7Å; L282-I314 HydrophobicContact CG-CD1 4.21Å; L282-I314 HydrophobicContact CG-CG1 4.23Å; M283-I314 HydrophobicContact SD-CB 4.48Å; M283-I314 HydrophobicContact SD-CG1 4.21Å; M283-I314 HydrophobicContact SD-CG2 4.48Å; A286-I314 HydrophobicContact CB-CD1 4.39Å; W298-I314 HydrophobicContact CH2-CD1 4.19Å; W298-I314 HydrophobicContact CZ3-CD1 3.94Å; I311-I314 HydrophobicContact CB-CD1 4.12Å; I311-I314 HydrophobicContact CB-CG1 4.36Å; I311-I314 HydrophobicContact CG2-CD1 4.34Å; I311-I314 WeakPolarHBondContact O-CB 3.32Å; I311-I314 PolarHBondContact O-N 3.18Å; E312-I314 PolarHBondContact O-N 2.85Å; I314-F318 HydrophobicContact CG2-CB 4.24Å; I314-F318 HydrophobicContact CG2-CD1 3.77Å; I314-F318 HydrophobicContact CG2-CG 4.39Å; I314-I319 HydrophobicContact CB-CD1 4.25Å; I314-I319 HydrophobicContact CB-CG1 3.9Å; I314-I319 HydrophobicContact CG2-CD1 4.47Å; I314-I319 HydrophobicContact CG2-CG1 3.61Å; I314-I319 WeakPolarHBondContact O-CD1 3.09Å; I314-L322 HydrophobicContact CD1-CD1 4.41Å; I314-L322 HydrophobicContact CG2-CD1 4.07Å
315P96.6Very high95.4Very high49 Ų4969.9 Ų69.932%0.31835%0.349SS..  trans-58.7142.8178.4-25.234.8000112.8A313 Y317 F318 I319A313-P315 WeakPolarHBondContact O-CD 3.37Å; P315-Y317 VanDerWaalsContact C-N 3.28Å; P315-Y317 HydrophobicContact CB-CD1 3.55Å; P315-Y317 HydrophobicContact CB-CE1 3.3Å; P315-Y317 HydrophobicContact CG-CE1 3.91Å; P315-Y317 PolarHBondContact O-N 3.38Å; P315-F318 WeakPolarHBondContact O-CA 3.48Å; P315-F318 WeakPolarHBondContact O-CB 3.27Å; P315-F318 PolarHBondContact O-N 2.98Å; P315-I319 PolarHBondContact O-N 3.04Å
316E95.9Very high95.4Very high132 Ų13270 Ų7062%0.61735%0.349SS*.Hα-helixtrans-56.5-39.1-175.5-165-162.6146.800113.2F318 I319 K320E316-F318 PolarHBondContact O-N 3.3Å; E316-I319 PolarHBondContact O-N 3.26Å; E316-K320 WeakPolarHBondContact O-CG 3.46Å; E316-K320 PolarHBondContact O-N 2.82Å; E316-K320 VanDerWaalsContact O-N 3.08Å; E316-K320 WeakPolarHBondContact OE1-CE 3.46Å; E316-K320 IonicContact OE1-NZ 3.52Å; E316-K320 PolarHBondContact OE1-NZ 2.77Å
317Y95.6Very high95.7Very high157 Ų15769.3 Ų69.362%0.61634%0.344SS*.Hα-helixtrans-61.2-33.6176.378.6-95.2000111.9P315 R321P315-Y317 VanDerWaalsContact C-N 3.28Å; P315-Y317 HydrophobicContact CB-CD1 3.55Å; P315-Y317 HydrophobicContact CB-CE1 3.3Å; P315-Y317 HydrophobicContact CG-CE1 3.91Å; P315-Y317 PolarHBondContact O-N 3.38Å; Y317-R321 PolarHBondContact O-N 2.91Å
318F97.3Very high96Very high0 Ų066.3 Ų66.30%031%0.309CS..Hα-helixtrans-82.6-33.9-179.3-169.4-141.5000111.5M283 A286 W287 I314 P315 E316 K320 R321 L322M283-F318 HydrophobicContact CE-CD1 3.96Å; M283-F318 HydrophobicContact CE-CE1 4.04Å; A286-F318 HydrophobicContact CB-CE1 3.64Å; A286-F318 HydrophobicContact CB-CZ 4.27Å; W287-F318 HydrophobicContact CD2-CE1 4.04Å; W287-F318 HydrophobicContact CD2-CE2 4.29Å; W287-F318 AromaticContact CD2-CZ 3.64Å; W287-F318 HydrophobicContact CD2-CZ 3.64Å; W287-F318 AromaticContact CE2-CE1 3.98Å; W287-F318 AromaticContact CE2-CZ 3.95Å; W287-F318 AromaticContact CE3-CE2 3.96Å; W287-F318 HydrophobicContact CE3-CE2 3.96Å; W287-F318 AromaticContact CE3-CZ 3.69Å; W287-F318 HydrophobicContact CE3-CZ 3.69Å; W287-F318 HydrophobicContact CG-CE1 4.27Å; W287-F318 HydrophobicContact CG-CZ 4.11Å; W287-F318 HydrophobicContact CH2-CD2 4.37Å; W287-F318 HydrophobicContact CH2-CE2 4.06Å; W287-F318 HydrophobicContact CH2-CZ 4.32Å; W287-F318 HydrophobicContact CZ2-CE1 4.4Å; W287-F318 HydrophobicContact CZ2-CE2 4.38Å; W287-F318 HydrophobicContact CZ2-CZ 4.28Å; W287-F318 AromaticContact CZ3-CE2 3.84Å; W287-F318 HydrophobicContact CZ3-CE2 3.84Å; W287-F318 HydrophobicContact CZ3-CZ 4.04Å; I314-F318 HydrophobicContact CG2-CB 4.24Å; I314-F318 HydrophobicContact CG2-CD1 3.77Å; I314-F318 HydrophobicContact CG2-CG 4.39Å; P315-F318 WeakPolarHBondContact O-CA 3.48Å; P315-F318 WeakPolarHBondContact O-CB 3.27Å; P315-F318 PolarHBondContact O-N 2.98Å; E316-F318 PolarHBondContact O-N 3.3Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 2.94Å; F318-R321 HydrophobicContact CD2-CB 4.17Å; F318-R321 HydrophobicContact CD2-CG 4.45Å; F318-R321 WeakPolarHBondContact O-CB 3.25Å; F318-R321 PolarHBondContact O-N 3.28Å; F318-L322 HydrophobicContact CD1-CD1 4.22Å; F318-L322 HydrophobicContact CD2-CG 4.44Å; F318-L322 HydrophobicContact CE1-CD1 4.19Å; F318-L322 HydrophobicContact CE2-CD2 4.32Å; F318-L322 HydrophobicContact CE2-CG 4.25Å; F318-L322 HydrophobicContact CZ-CD1 4.44Å; F318-L322 HydrophobicContact CZ-CD2 4.1Å; F318-L322 HydrophobicContact CZ-CG 4.27Å; F318-L322 WeakPolarHBondContact O-CG 3.24Å; F318-L322 PolarHBondContact O-N 2.62Å
319I97.4Very high96.2Very high40 Ų4065 Ų6521%0.20530%0.301CS..Hα-helixtrans-56.7-42.9168.7-64.8175.8000110.7I311 I314 P315 E316 R321 L322 N323I311-I319 HydrophobicContact CD1-CD1 4.14Å; I311-I319 HydrophobicContact CG1-CD1 4.49Å; I314-I319 HydrophobicContact CB-CD1 4.25Å; I314-I319 HydrophobicContact CB-CG1 3.9Å; I314-I319 HydrophobicContact CG2-CD1 4.47Å; I314-I319 HydrophobicContact CG2-CG1 3.61Å; I314-I319 WeakPolarHBondContact O-CD1 3.09Å; P315-I319 PolarHBondContact O-N 3.04Å; E316-I319 PolarHBondContact O-N 3.26Å; I319-R321 PolarHBondContact O-N 3.45Å; I319-L322 PolarHBondContact O-N 2.87Å; I319-N323 WeakPolarHBondContact O-CB 3.41Å; I319-N323 VanDerWaalsContact O-CG 3.31Å; I319-N323 PolarHBondContact O-N 3.24Å; I319-N323 PolarHBondContact O-ND2 2.89Å
320K95.6Very high96.4Very high122 Ų12262.9 Ų62.953%0.5329%0.29SS..Hα-helixtrans-57.9-48.5175.7-72.3172.2-174.3165.10111.3E316 F318 N323 E324E316-K320 WeakPolarHBondContact O-CG 3.46Å; E316-K320 PolarHBondContact O-N 2.82Å; E316-K320 VanDerWaalsContact O-N 3.08Å; E316-K320 WeakPolarHBondContact OE1-CE 3.46Å; E316-K320 IonicContact OE1-NZ 3.52Å; E316-K320 PolarHBondContact OE1-NZ 2.77Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 2.94Å; K320-N323 PolarHBondContact O-N 3.45Å; K320-E324 PolarHBondContact O-N 3.05Å
321R95.3Very high96.5Very high109 Ų10961.6 Ų61.641%0.41129%0.285SS..Hα-helixtrans-59.9-44.9175.6-179.8175.8172.6-178.1-3.8112.6S290 Y317 F318 I319 N323 E324S290-R321 PolarHBondContact OG-NE 3.05Å; S290-R321 VanDerWaalsContact OG-NE 3.11Å; S290-R321 PolarHBondContact OG-NH2 3.45Å; Y317-R321 PolarHBondContact O-N 2.91Å; F318-R321 HydrophobicContact CD2-CB 4.17Å; F318-R321 HydrophobicContact CD2-CG 4.45Å; F318-R321 WeakPolarHBondContact O-CB 3.25Å; F318-R321 PolarHBondContact O-N 3.28Å; I319-R321 PolarHBondContact O-N 3.45Å; R321-N323 VanDerWaalsContact C-N 3.29Å; R321-N323 PolarHBondContact O-N 2.66Å; R321-E324 WeakPolarHBondContact O-CB 3.15Å; R321-E324 PolarHBondContact O-N 3.47Å
322L97.2Very high96.5Very high1 Ų161.1 Ų61.11%0.00528%0.283CS..Hα-helixtrans-60.3-39.9177.6-71.8167.9000111.7A286 F296 I314 F318 I319 E324 K325 G326 I328A286-L322 HydrophobicContact CB-CD1 4.11Å; A286-L322 WeakPolarHBondContact O-CD2 3.38Å; F296-L322 HydrophobicContact CE1-CD2 4.24Å; F296-L322 HydrophobicContact CE2-CD2 4.44Å; F296-L322 HydrophobicContact CZ-CB 3.94Å; F296-L322 HydrophobicContact CZ-CD2 3.6Å; F296-L322 HydrophobicContact CZ-CG 4.37Å; F296-L322 WeakPolarHBondContact CZ-O 3.34Å; I314-L322 HydrophobicContact CD1-CD1 4.41Å; I314-L322 HydrophobicContact CG2-CD1 4.07Å; F318-L322 HydrophobicContact CD1-CD1 4.22Å; F318-L322 HydrophobicContact CD2-CG 4.44Å; F318-L322 HydrophobicContact CE1-CD1 4.19Å; F318-L322 HydrophobicContact CE2-CD2 4.32Å; F318-L322 HydrophobicContact CE2-CG 4.25Å; F318-L322 HydrophobicContact CZ-CD1 4.44Å; F318-L322 HydrophobicContact CZ-CD2 4.1Å; F318-L322 HydrophobicContact CZ-CG 4.27Å; F318-L322 WeakPolarHBondContact O-CG 3.24Å; F318-L322 PolarHBondContact O-N 2.62Å; I319-L322 PolarHBondContact O-N 2.87Å; L322-E324 PolarHBondContact O-N 3.24Å; L322-K325 PolarHBondContact O-N 3.03Å; L322-G326 WeakPolarHBondContact O-CA 3.44Å; L322-G326 PolarHBondContact O-N 3.27Å; L322-I328 HydrophobicContact CB-CD1 4.46Å; L322-I328 HydrophobicContact CD1-CD1 4.1Å
323N96.1Very high96.4Very high87 Ų8756.4 Ų56.447%0.46526%0.261SS..Hα-helixtrans-72.5-9.5-180-72.6-28.1000114.4I319 K320 R321 G326I319-N323 WeakPolarHBondContact O-CB 3.41Å; I319-N323 VanDerWaalsContact O-CG 3.31Å; I319-N323 PolarHBondContact O-N 3.24Å; I319-N323 PolarHBondContact O-ND2 2.89Å; K320-N323 PolarHBondContact O-N 3.45Å; R321-N323 VanDerWaalsContact C-N 3.29Å; R321-N323 PolarHBondContact O-N 2.66Å; N323-G326 WeakPolarHBondContact CA-O 3.45Å
324E95.1Very high96.4Very high155 Ų15556.6 Ų56.672%0.72426%0.258SS*.Hα-helixtrans-68.9-36.3175-68.9170.5-177.500111.8K320 R321 L322K320-E324 PolarHBondContact O-N 3.05Å; R321-E324 WeakPolarHBondContact O-CB 3.15Å; R321-E324 PolarHBondContact O-N 3.47Å; L322-E324 PolarHBondContact O-N 3.24Å
325K93.9Very high96.2Very high90 Ų9056.7 Ų56.739%0.39126%0.258SS..Hα-helixtrans-120.4-16.9-178.8-72.6-166.4163.9-166.40114.2D293 P295 L322D293-K325 PolarHBondContact O-NZ 3.31Å; D293-K325 WeakPolarHBondContact OD1-CE 2.95Å; D293-K325 IonicContact OD1-NZ 3.16Å; D293-K325 PolarHBondContact OD1-NZ 3.47Å; D293-K325 IonicContact OD2-NZ 2.79Å; D293-K325 PolarHBondContact OD2-NZ 3.3Å; P295-K325 VanDerWaalsContact CA-O 3.27Å; P295-K325 WeakPolarHBondContact CA-O 3.17Å; L322-K325 PolarHBondContact O-N 3.03Å
326G98Very high96.1Very high2 Ų257.4 Ų57.42%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-125.1175.2-17600000113.9F296 L322 N323F296-G326 CarbonylContact O-C 3.51Å; F296-G326 WeakPolarHBondContact O-CA 3.43Å; L322-G326 WeakPolarHBondContact O-CA 3.44Å; L322-G326 PolarHBondContact O-N 3.27Å; N323-G326 WeakPolarHBondContact CA-O 3.45Å
327K98.2Very high96.2Very high44 Ų4451.1 Ų51.119%0.19123%0.228CC..EExtended strand (participates in β ladder)trans-135.1125.7172.2-176.1174.6170.369.80109.2T253 C254 W257 F296 L297 W298 V329T253-K327 WeakPolarHBondContact O-CE 3.19Å; T253-K327 VanDerWaalsContact OG1-CE 3.26Å; T253-K327 WeakPolarHBondContact OG1-CE 3.47Å; T253-K327 PolarHBondContact OG1-NZ 3.38Å; C254-K327 VanDerWaalsContact CA-CE 3.48Å; C254-K327 HydrophobicContact CB-CD 4.29Å; W257-K327 HydrophobicContact CB-CD 3.62Å; W257-K327 HydrophobicContact CD2-CB 3.77Å; W257-K327 HydrophobicContact CD2-CD 3.96Å; W257-K327 HydrophobicContact CE3-CB 4.16Å; W257-K327 HydrophobicContact CE3-CD 4.43Å; W257-K327 HydrophobicContact CG-CB 4.13Å; W257-K327 HydrophobicContact CG-CD 3.56Å; W257-K327 HydrophobicContact CG-CG 4.46Å; W257-K327 HydrophobicContact CZ2-CB 4.14Å; F296-K327 PolarHBondContact O-N 3.06Å; L297-K327 WeakPolarHBondContact CA-O 3.44Å; L297-K327 HydrophobicContact CD1-CB 4.18Å; L297-K327 HydrophobicContact CD1-CG 4.33Å; W298-K327 PolarHBondContact N-O 3.2Å; K327-V329 HydrophobicContact CD-CG1 4.29Å; K327-V329 HydrophobicContact CG-CG1 4.03Å
328I98Very high96.3Very high16 Ų1643.8 Ų43.88%0.08220%0.199CC..EExtended strand (participates in β ladder)trans-100.4128.9174.4-50.6177.6000108.3F296 W298 V300 W310 I311 L322F296-I328 HydrophobicContact CE2-CG1 4.41Å; W298-I328 HydrophobicContact CB-CG1 4.49Å; W298-I328 HydrophobicContact CE3-CD1 3.84Å; W298-I328 HydrophobicContact CE3-CG1 4.02Å; W298-I328 HydrophobicContact CE3-CG2 4.47Å; W298-I328 HydrophobicContact CZ3-CD1 4.16Å; W298-I328 CarbonylContact O-C 3.59Å; W298-I328 VanDerWaalsContact O-CA 3.31Å; W298-I328 WeakPolarHBondContact O-CA 3.43Å; V300-I328 HydrophobicContact CB-CG2 4.37Å; V300-I328 HydrophobicContact CG2-CG2 3.91Å; W310-I328 HydrophobicContact CZ2-CG2 4.03Å; I311-I328 HydrophobicContact CG2-CG2 4.4Å; L322-I328 HydrophobicContact CB-CD1 4.46Å; L322-I328 HydrophobicContact CD1-CD1 4.1Å
329V97.9Very high96.2Very high1 Ų148.6 Ų48.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-130.2156.9178.9-61.30000111.2D251 C254 L297 W298 V299 V300 K327 A332D251-V329 HydrophobicContact CB-CB 4.11Å; D251-V329 HydrophobicContact CB-CG1 4.3Å; D251-V329 WeakPolarHBondContact OD2-CG1 3.17Å; C254-V329 HydrophobicContact CB-CG1 4.24Å; L297-V329 HydrophobicContact CD1-CG1 4.16Å; L297-V329 HydrophobicContact CD1-CG2 4.04Å; W298-V329 PolarHBondContact O-N 3.39Å; V299-V329 WeakPolarHBondContact CA-O 3.22Å; V299-V329 HydrophobicContact CG2-CG2 3.89Å; V300-V329 PolarHBondContact N-O 2.97Å; K327-V329 HydrophobicContact CD-CG1 4.29Å; K327-V329 HydrophobicContact CG-CG1 4.03Å; V329-A332 HydrophobicContact CG2-CB 4.28Å
330K97.1Very high96.2Very high107 Ų10747.7 Ų47.747%0.46522%0.215SC..SBendtrans-73.6-37.5179.2-70.1177.1177.3-177.30113V300 R301 V302 W310V300-K330 VanDerWaalsContact O-CA 3.3Å; V300-K330 WeakPolarHBondContact O-CA 3.32Å; R301-K330 WeakPolarHBondContact CA-O 3.39Å; V302-K330 HydrophobicContact CG2-CB 4.35Å; V302-K330 HydrophobicContact CG2-CD 3.7Å; V302-K330 HydrophobicContact CG2-CG 3.95Å; W310-K330 HydrophobicContact CD2-CG 4.14Å; W310-K330 HydrophobicContact CH2-CG 4.32Å; W310-K330 HydrophobicContact CZ2-CG 3.72Å
331W96.7Very high96.3Very high29 Ų2946.5 Ų46.511%0.1121%0.207CC..SBendtrans-158.7143.2178-162.7-107.5000108.9Q17 S246 F248 D251 V299 R301Q17-W331 HydrophobicContact CG-CZ2 4.48Å; S246-W331 PolarHBondContact OG-NE1 3.26Å; F248-W331 HydrophobicContact CB-CB 4.05Å; F248-W331 HydrophobicContact CB-CD2 3.66Å; F248-W331 HydrophobicContact CB-CE3 4.39Å; F248-W331 HydrophobicContact CB-CG 3.46Å; F248-W331 VanDerWaalsContact CB-CG 3.46Å; F248-W331 AromaticContact CD2-CD2 3.84Å; F248-W331 HydrophobicContact CD2-CD2 3.84Å; F248-W331 AromaticContact CD2-CE2 3.57Å; F248-W331 HydrophobicContact CD2-CE3 4.07Å; F248-W331 AromaticContact CD2-CH2 3.86Å; F248-W331 HydrophobicContact CD2-CH2 3.86Å; F248-W331 AromaticContact CD2-CZ2 3.58Å; F248-W331 HydrophobicContact CD2-CZ2 3.58Å; F248-W331 HydrophobicContact CD2-CZ3 4.08Å; F248-W331 HydrophobicContact CE2-CH2 4.02Å; F248-W331 HydrophobicContact CE2-CZ2 4.14Å; F248-W331 HydrophobicContact CE2-CZ3 4.25Å; F248-W331 AromaticContact CG-CD2 3.81Å; F248-W331 HydrophobicContact CG-CD2 3.81Å; F248-W331 AromaticContact CG-CE2 3.97Å; F248-W331 HydrophobicContact CG-CE3 4.11Å; F248-W331 HydrophobicContact CG-CG 4.15Å; F248-W331 HydrophobicContact CG-CZ2 4.4Å; D251-W331 VanDerWaalsContact CB-O 3.3Å; D251-W331 WeakPolarHBondContact CB-O 3.17Å; D251-W331 PolarHBondContact N-O 3.47Å; V299-W331 HydrophobicContact CG1-CE3 4.09Å; R301-W331 HydrophobicContact CB-CE3 4.34Å; R301-W331 HydrophobicContact CB-CZ3 4.34Å; R301-W331 HydrophobicContact CG-CE3 4.22Å; R301-W331 HydrophobicContact CG-CZ3 4.25Å
332A96.2Very high96.5Very high4 Ų441.3 Ų41.33%0.03319%0.188CC..  trans-113.7150.2-178.600000111.9Y268 V299 V329 Q334 V337Y268-A332 HydrophobicContact CE2-CB 4.19Å; V299-A332 HydrophobicContact CG2-CB 3.58Å; V329-A332 HydrophobicContact CG2-CB 4.28Å; A332-Q334 PolarHBondContact O-N 2.86Å; A332-V337 HydrophobicContact CB-CG2 4.16Å
333P94.8Very high96.6Very high8 Ų841.3 Ų41.35%0.05219%0.187CC..  trans-70.677.216332.3-34000108.7P250 I255 Q335 E336 V337P250-P333 HydrophobicContact CB-CB 4.06Å; P250-P333 HydrophobicContact CB-CG 4.47Å; I255-P333 HydrophobicContact CD1-CG 4.17Å; I255-P333 HydrophobicContact CG1-CG 4.23Å; P333-Q335 VanDerWaalsContact C-N 3.28Å; P333-Q335 PolarHBondContact O-N 2.85Å; P333-Q335 VanDerWaalsContact O-N 3.16Å; P333-E336 HydrophobicContact CB-CB 4.18Å; P333-E336 HydrophobicContact CB-CG 4.35Å; P333-E336 WeakPolarHBondContact CB-OE2 3.36Å; P333-E336 HydrophobicContact CG-CB 4.44Å; P333-E336 WeakPolarHBondContact O-CB 3.41Å; P333-E336 PolarHBondContact O-N 3.29Å; P333-E336 VanDerWaalsContact O-N 3.1Å; P333-V337 HydrophobicContact CG-CG2 4.43Å; P333-V337 WeakPolarHBondContact O-CG2 3.37Å; P333-V337 PolarHBondContact O-N 3.21Å
334Q95Very high96.7Very high32 Ų3237.2 Ų37.215%0.1517%0.166CC..Hα-helixtrans-57.3-35.8-164175.9164.1-69.200114Y268 A332 V337 L338 S354 E357Y268-Q334 HydrophobicContact CE1-CG 3.8Å; Y268-Q334 PolarHBondContact OH-OE1 3.18Å; A332-Q334 PolarHBondContact O-N 2.86Å; Q334-V337 PolarHBondContact O-N 3.48Å; Q334-L338 HydrophobicContact CG-CD1 3.78Å; Q334-L338 HydrophobicContact CG-CG 4.17Å; Q334-L338 WeakPolarHBondContact O-CB 3.45Å; Q334-L338 WeakPolarHBondContact O-CG 3.38Å; Q334-L338 PolarHBondContact O-N 3.27Å; Q334-S354 PolarHBondContact NE2-OG 3.13Å; Q334-E357 PolarHBondContact NE2-OE2 3.28Å
335Q93Very high96.9Very high6 Ų629.9 Ų29.93%0.02813%0.132CC..Hα-helixtrans-68.4-42.3-179.7-69.1179.6-13.600111.1A242 P333 V337 K339 E357A242-Q335 HydrophobicContact CB-CG 4.49Å; P333-Q335 VanDerWaalsContact C-N 3.28Å; P333-Q335 PolarHBondContact O-N 2.85Å; P333-Q335 VanDerWaalsContact O-N 3.16Å; Q335-V337 VanDerWaalsContact C-N 3.35Å; Q335-K339 WeakPolarHBondContact O-CB 3.19Å; Q335-K339 WeakPolarHBondContact O-CD 3.48Å; Q335-K339 WeakPolarHBondContact O-CG 3.25Å; Q335-K339 PolarHBondContact O-N 2.84Å; Q335-E357 HydrophobicContact CG-CG 4.39Å; Q335-E357 WeakPolarHBondContact CG-OE1 3.38Å; Q335-E357 PolarHBondContact NE2-OE1 2.87Å
336E94.4Very high97.1Very high64 Ų6425.6 Ų25.630%0.29911%0.113SC..Hα-helixtrans-65.7-39.7175.3-63.278.817900110.9I255 P333 H340I255-E336 HydrophobicContact CD1-CB 4.15Å; P333-E336 HydrophobicContact CB-CB 4.18Å; P333-E336 HydrophobicContact CB-CG 4.35Å; P333-E336 WeakPolarHBondContact CB-OE2 3.36Å; P333-E336 HydrophobicContact CG-CB 4.44Å; P333-E336 WeakPolarHBondContact O-CB 3.41Å; P333-E336 PolarHBondContact O-N 3.29Å; P333-E336 VanDerWaalsContact O-N 3.1Å; E336-H340 PolarHBondContact O-N 2.91Å
337V97.4Very high97.2Very high0 Ų025.5 Ų25.50%011%0.112CC..Hα-helixtrans-61.9-53.2173.4169.60000111I255 L258 Y268 L297 A332 P333 Q334 Q335 K339 H340 I343I255-V337 HydrophobicContact CD1-CG2 4.07Å; L258-V337 HydrophobicContact CD1-CB 4.46Å; L258-V337 HydrophobicContact CD1-CG1 4.25Å; L258-V337 HydrophobicContact CD1-CG2 4.1Å; Y268-V337 HydrophobicContact CD1-CG1 4.13Å; Y268-V337 HydrophobicContact CD2-CG1 3.75Å; Y268-V337 HydrophobicContact CE1-CG1 4.43Å; Y268-V337 HydrophobicContact CE2-CG1 4.03Å; Y268-V337 HydrophobicContact CG-CG1 3.81Å; L297-V337 HydrophobicContact CD2-CB 4.5Å; L297-V337 HydrophobicContact CD2-CG1 3.77Å; L297-V337 HydrophobicContact CD2-CG2 3.82Å; A332-V337 HydrophobicContact CB-CG2 4.16Å; P333-V337 HydrophobicContact CG-CG2 4.43Å; P333-V337 WeakPolarHBondContact O-CG2 3.37Å; P333-V337 PolarHBondContact O-N 3.21Å; Q334-V337 PolarHBondContact O-N 3.48Å; Q335-V337 VanDerWaalsContact C-N 3.35Å; V337-K339 VanDerWaalsContact C-N 3.26Å; V337-K339 PolarHBondContact O-N 2.88Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.41Å; V337-I343 HydrophobicContact CG1-CD1 3.98Å; V337-I343 HydrophobicContact CG1-CG1 4.03Å; V337-I343 WeakPolarHBondContact O-CG1 2.96Å
338L97.4Very high97.2Very high2 Ų223.4 Ų23.41%0.0110%0.103CC..Hα-helixtrans-64.4-30.3-177.9-71.3172.8000112.9Y268 Q334 H340 F346 E357 E361 V363Y268-L338 HydrophobicContact CD1-CD2 3.89Å; Y268-L338 HydrophobicContact CD1-CG 4.42Å; Y268-L338 HydrophobicContact CE1-CD2 4.39Å; Q334-L338 HydrophobicContact CG-CD1 3.78Å; Q334-L338 HydrophobicContact CG-CG 4.17Å; Q334-L338 WeakPolarHBondContact O-CB 3.45Å; Q334-L338 WeakPolarHBondContact O-CG 3.38Å; Q334-L338 PolarHBondContact O-N 3.27Å; L338-H340 PolarHBondContact O-N 3.23Å; L338-F346 HydrophobicContact CD1-CD1 4.4Å; L338-F346 HydrophobicContact CD1-CE1 4.21Å; L338-F346 HydrophobicContact CD2-CB 4.22Å; L338-F346 HydrophobicContact CD2-CD1 3.77Å; L338-F346 HydrophobicContact CD2-CE1 4.26Å; L338-F346 HydrophobicContact CD2-CG 4.05Å; L338-E357 HydrophobicContact CD1-CB 3.7Å; L338-E361 HydrophobicContact CB-CB 4.3Å; L338-E361 HydrophobicContact CB-CG 4.08Å; L338-E361 WeakPolarHBondContact O-CB 3Å; L338-V363 HydrophobicContact CD2-CB 4.31Å; L338-V363 HydrophobicContact CD2-CG1 4.16Å; L338-V363 HydrophobicContact CD2-CG2 4.34Å; L338-V363 WeakPolarHBondContact O-CG2 3.43Å
339K95.6Very high97.1Very high102 Ų10223.5 Ų23.544%0.44310%0.103SC..Hα-helixtrans-70.1-19.4172.1-77.9169.2-176.7178.50113.5Q335 V337 E361Q335-K339 WeakPolarHBondContact O-CB 3.19Å; Q335-K339 WeakPolarHBondContact O-CD 3.48Å; Q335-K339 WeakPolarHBondContact O-CG 3.25Å; Q335-K339 PolarHBondContact O-N 2.84Å; V337-K339 VanDerWaalsContact C-N 3.26Å; V337-K339 PolarHBondContact O-N 2.88Å; K339-E361 WeakPolarHBondContact CE-OE1 3.38Å; K339-E361 HydrophobicContact CG-CG 3.8Å; K339-E361 WeakPolarHBondContact CG-OE1 3.33Å; K339-E361 WeakPolarHBondContact CG-OE2 3.33Å
340H98Very high97.2Very high21 Ų2123.5 Ų23.510%0.09710%0.103CC..SBendtrans-72.4134.9-170.7-165.9-82.4000111.8L258 D259 E336 V337 L338 A342 I343L258-H340 HydrophobicContact CD1-CB 4.18Å; L258-H340 PolarHBondContact O-CE1 2.98Å; L258-H340 VanDerWaalsContact O-CE1 3.24Å; D259-H340 IonicContact OD1-NE2 3.43Å; D259-H340 PolarHBondContact OD1-NE2 2.74Å; D259-H340 VanDerWaalsContact OD1-NE2 3.15Å; E336-H340 PolarHBondContact O-N 2.91Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.41Å; L338-H340 PolarHBondContact O-N 3.23Å; H340-A342 WeakPolarHBondContact ND1-CB 3.46Å; H340-A342 PolarHBondContact ND1-N 3.34Å; H340-A342 VanDerWaalsContact ND1-N 3.17Å; H340-A342 PolarHBondContact O-N 2.99Å; H340-A342 VanDerWaalsContact O-N 3.1Å; H340-I343 HydrophobicContact CB-CG1 4.37Å; H340-I343 PolarHBondContact O-N 3.33Å; H340-I343 VanDerWaalsContact O-N 3.08Å
341R98.2Very high97.1Very high97 Ų9718.8 Ų18.837%0.3669%0.085SC..THydrogen-bonded Turntrans-53.3-35.2-177.169.3-176.5-163.5-72.3-8.2114D259 D263 K264 I343D259-R341 VanDerWaalsContact C-NH2 3.34Å; D259-R341 PolarHBondContact O-NH2 3.35Å; D259-R341 IonicContact OD1-NH1 3.43Å; D259-R341 PolarHBondContact OD1-NH1 3.38Å; D263-R341 WeakPolarHBondContact OD1-CD 3.12Å; D263-R341 VanDerWaalsContact OD1-CG 3.24Å; D263-R341 WeakPolarHBondContact OD1-CG 3.08Å; D263-R341 IonicContact OD1-NE 2.65Å; D263-R341 PolarHBondContact OD1-NE 3.18Å; D263-R341 VanDerWaalsContact OD1-NE 3.16Å; K264-R341 WeakPolarHBondContact CD-O 3.26Å; K264-R341 PolarHBondContact N-O 3.24Å; R341-I343 VanDerWaalsContact C-N 3.29Å; R341-I343 PolarHBondContact O-N 2.86Å
342A98.7Very high97.1Very high0 Ų017.6 Ų17.60%08%0.08CC..THydrogen-bonded Turntrans-69.6-21.7-177.100000113.9L258 Q261 E262 K264 S265 V266 H340 G344L258-A342 HydrophobicContact CD2-CB 4.37Å; Q261-A342 HydrophobicContact CB-CB 3.8Å; E262-A342 WeakPolarHBondContact O-CA 3.31Å; K264-A342 CarbonylContact C-O 3.54Å; K264-A342 WeakPolarHBondContact CA-O 3.13Å; K264-A342 PolarHBondContact N-O 3.42Å; S265-A342 PolarHBondContact N-O 3.4Å; S265-A342 VanDerWaalsContact N-O 3.1Å; V266-A342 WeakPolarHBondContact CB-O 3.11Å; V266-A342 HydrophobicContact CG2-CB 3.97Å; V266-A342 PolarHBondContact N-O 2.89Å; H340-A342 WeakPolarHBondContact ND1-CB 3.46Å; H340-A342 PolarHBondContact ND1-N 3.34Å; H340-A342 VanDerWaalsContact ND1-N 3.17Å; H340-A342 PolarHBondContact O-N 2.99Å; H340-A342 VanDerWaalsContact O-N 3.1Å; A342-G344 PolarHBondContact O-N 3.28Å
343I98.8Very high97Very high0 Ų019.2 Ų19.20%09%0.089CC..EExtended strand (participates in β ladder)trans-73.1114.1-178.3-60-48.9000110.2L258 K264 V266 V337 H340 R341 V363L258-I343 HydrophobicContact CD1-CD1 4.34Å; L258-I343 HydrophobicContact CD2-CD1 3.6Å; K264-I343 WeakPolarHBondContact CD-O 3.36Å; K264-I343 PolarHBondContact NZ-O 3.22Å; K264-I343 VanDerWaalsContact NZ-O 3.12Å; V266-I343 HydrophobicContact CB-CD1 3.93Å; V266-I343 HydrophobicContact CG1-CD1 3.78Å; V337-I343 HydrophobicContact CG1-CD1 3.98Å; V337-I343 HydrophobicContact CG1-CG1 4.03Å; V337-I343 WeakPolarHBondContact O-CG1 2.96Å; H340-I343 HydrophobicContact CB-CG1 4.37Å; H340-I343 PolarHBondContact O-N 3.33Å; H340-I343 VanDerWaalsContact O-N 3.08Å; R341-I343 VanDerWaalsContact C-N 3.29Å; R341-I343 PolarHBondContact O-N 2.86Å; I343-V363 HydrophobicContact CG2-CG1 3.64Å; I343-V363 HydrophobicContact CG2-CG2 4.05Å
344G98.5Very high97Very high2 Ų219.4 Ų19.42%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-94.5-26.417700000114K264 V266 A342 P364K264-G344 VanDerWaalsContact O-CA 3.29Å; K264-G344 WeakPolarHBondContact O-CA 3.35Å; V266-G344 PolarHBondContact O-N 3.18Å; A342-G344 PolarHBondContact O-N 3.28Å; G344-P364 VanDerWaalsContact O-CD 3.29Å; G344-P364 WeakPolarHBondContact O-CD 3.45Å; G344-P364 WeakPolarHBondContact O-CG 3.3Å
345G98.8Very high97.1Very high0 Ų017.9 Ų17.90%08%0.083CC..EExtended strand (participates in β ladder)trans-162.4168.7177.900000113V266 Y268 P364V266-G345 PolarHBondContact O-N 2.94Å; Y268-G345 PolarHBondContact N-O 2.99Å; G345-P364 CarbonylContact C-O 3.4Å; G345-P364 VanDerWaalsContact CA-O 3.29Å; G345-P364 WeakPolarHBondContact CA-O 3.39Å
346F98.9Very high97.2Very high0 Ų017.9 Ų17.90%08%0.083CC..EExtended strand (participates in β ladder)trans-133.6107.9-178.2-178.3-163.9000111.8Y268 L338 T348 V363 P364 M365 I366Y268-F346 HydrophobicContact CD1-CD1 4.41Å; Y268-F346 AromaticContact CD1-CD2 3.27Å; Y268-F346 HydrophobicContact CD1-CD2 3.27Å; Y268-F346 HydrophobicContact CD1-CE1 4.43Å; Y268-F346 AromaticContact CD1-CE2 3.31Å; Y268-F346 HydrophobicContact CD1-CE2 3.31Å; Y268-F346 AromaticContact CD1-CG 3.87Å; Y268-F346 HydrophobicContact CD1-CG 3.87Å; Y268-F346 AromaticContact CD1-CZ 3.92Å; Y268-F346 HydrophobicContact CD1-CZ 3.92Å; Y268-F346 AromaticContact CE1-CD2 3.81Å; Y268-F346 HydrophobicContact CE1-CD2 3.81Å; Y268-F346 HydrophobicContact CE1-CE1 4.3Å; Y268-F346 AromaticContact CE1-CE2 3.3Å; Y268-F346 HydrophobicContact CE1-CE2 3.3Å; Y268-F346 AromaticContact CE1-CZ 3.57Å; Y268-F346 HydrophobicContact CE1-CZ 3.57Å; Y268-F346 HydrophobicContact CG-CD2 4.04Å; Y268-F346 HydrophobicContact CG-CE2 4.26Å; Y268-F346 CarbonylContact O-C 3.56Å; Y268-F346 WeakPolarHBondContact O-CA 3.48Å; Y268-F346 WeakPolarHBondContact O-CD2 3.19Å; L338-F346 HydrophobicContact CD1-CD1 4.4Å; L338-F346 HydrophobicContact CD1-CE1 4.21Å; L338-F346 HydrophobicContact CD2-CB 4.22Å; L338-F346 HydrophobicContact CD2-CD1 3.77Å; L338-F346 HydrophobicContact CD2-CE1 4.26Å; L338-F346 HydrophobicContact CD2-CG 4.05Å; F346-T348 HydrophobicContact CD1-CG2 4.16Å; F346-T348 HydrophobicContact CE1-CG2 4.24Å; F346-T348 HydrophobicContact CG-CG2 4.38Å; F346-T348 VanDerWaalsContact CZ-CB 3.49Å; F346-T348 WeakPolarHBondContact CZ-OG1 3.31Å; F346-T348 PolarHBondContact O-N 2.88Å; F346-V363 HydrophobicContact CB-CG1 3.79Å; F346-P364 PolarHBondContact N-O 3.32Å; F346-M365 HydrophobicContact CB-CG 4.36Å; F346-M365 HydrophobicContact CD1-CG 4.49Å; F346-M365 CarbonylContact O-C 3.51Å; F346-M365 VanDerWaalsContact O-CA 3.23Å; F346-M365 WeakPolarHBondContact O-CA 3.29Å; F346-I366 PolarHBondContact O-N 3.41Å
347L98.8Very high97.2Very high1 Ų115.5 Ų15.51%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-77.9111.8165.5-164.5169.4000109.1I267 Y268 V269 S270 I366 L368 I400I267-L347 HydrophobicContact CG1-CB 4.43Å; Y268-L347 PolarHBondContact O-N 3.23Å; V269-L347 WeakPolarHBondContact CA-O 3.18Å; V269-L347 HydrophobicContact CB-CB 4.42Å; V269-L347 HydrophobicContact CG1-CB 4.21Å; V269-L347 HydrophobicContact CG1-CD1 4.4Å; V269-L347 HydrophobicContact CG1-CD2 4.19Å; V269-L347 HydrophobicContact CG1-CG 4.49Å; V269-L347 HydrophobicContact CG2-CB 4.1Å; S270-L347 PolarHBondContact N-O 3.31Å; L347-I366 WeakPolarHBondContact CA-O 3.49Å; L347-I366 HydrophobicContact CB-CB 4.17Å; L347-I366 HydrophobicContact CG-CB 4.06Å; L347-I366 HydrophobicContact CG-CG2 4.1Å; L347-L368 HydrophobicContact CD2-CB 4.11Å; L347-L368 HydrophobicContact CD2-CD2 4.22Å; L347-I400 HydrophobicContact CD1-CG2 4.2Å
348T98.7Very high97.2Very high0 Ų015.5 Ų15.50%07%0.072CC..EExtended strand (participates in β ladder)trans-135.5152.3-170.8-173.90000112.4S270 F346 N350 M365 I366 L368S270-T348 WeakPolarHBondContact O-CA 3.18Å; F346-T348 HydrophobicContact CD1-CG2 4.16Å; F346-T348 HydrophobicContact CE1-CG2 4.24Å; F346-T348 HydrophobicContact CG-CG2 4.38Å; F346-T348 VanDerWaalsContact CZ-CB 3.49Å; F346-T348 WeakPolarHBondContact CZ-OG1 3.31Å; F346-T348 PolarHBondContact O-N 2.88Å; T348-N350 PolarHBondContact O-N 2.96Å; T348-N350 PolarHBondContact O-OD1 3.47Å; T348-N350 VanDerWaalsContact O-OD1 3.13Å; T348-N350 PolarHBondContact OG1-N 3.01Å; T348-M365 HydrophobicContact CG2-CB 4.27Å; T348-M365 HydrophobicContact CG2-CG 4.02Å; T348-M365 HydrophobicContact CG2-SD 4.1Å; T348-I366 PolarHBondContact N-O 3.13Å; T348-L368 PolarHBondContact O-N 3.45Å
349H97.4Very high97.2Very high18 Ų1815.4 Ų15.48%0.0837%0.071CC..  trans-68.7-5.7166.570.7-57.6000114.3I271 V275 G351 L368 F370 Q374I271-H349 HydrophobicContact CB-CB 4.42Å; V275-H349 HydrophobicContact CG2-CB 4.3Å; H349-G351 VanDerWaalsContact C-N 3.33Å; H349-G351 PolarHBondContact CD2-N 2.97Å; H349-G351 WeakPolarHBondContact NE2-CA 3.21Å; H349-G351 PolarHBondContact NE2-N 3.25Å; H349-G351 PolarHBondContact O-N 3Å; H349-L368 VanDerWaalsContact CA-O 3.31Å; H349-L368 WeakPolarHBondContact CA-O 3.06Å; H349-F370 HydrophobicContact CB-CD2 4.05Å; H349-F370 HydrophobicContact CB-CE2 4.39Å; H349-Q374 PolarHBondContact CD2-NE2 3.42Å; H349-Q374 WeakPolarHBondContact O-CB 3.32Å; H349-Q374 WeakPolarHBondContact O-CG 3.3Å
350N98Very high97.2Very high0 Ų011.2 Ų11.20%06%0.055CC..  trans61.428.5-178-5892.3000115.7T348 T355 C367 L368 N377 A378T348-N350 PolarHBondContact O-N 2.96Å; T348-N350 PolarHBondContact O-OD1 3.47Å; T348-N350 VanDerWaalsContact O-OD1 3.13Å; T348-N350 PolarHBondContact OG1-N 3.01Å; N350-T355 WeakPolarHBondContact CA-OG1 3.25Å; N350-T355 PolarHBondContact O-OG1 2.83Å; N350-C367 PolarHBondContact ND2-SG 3.29Å; N350-C367 WeakPolarHBondContact OD1-CA 3.44Å; N350-C367 WeakPolarHBondContact OD1-CB 3.5Å; N350-L368 PolarHBondContact OD1-N 3.41Å; N350-N377 HydrophobicContact CB-CB 4.09Å; N350-N377 WeakPolarHBondContact O-CB 2.94Å; N350-N377 PolarHBondContact O-ND2 2.82Å; N350-A378 HydrophobicContact CB-CB 4.28Å
351G96.5Very high97.2Very high8 Ų811.9 Ų11.98%0.0826%0.058CC..  trans-57142.316400000110.6H349 N353 S354 T355H349-G351 VanDerWaalsContact C-N 3.33Å; H349-G351 PolarHBondContact CD2-N 2.97Å; H349-G351 WeakPolarHBondContact NE2-CA 3.21Å; H349-G351 PolarHBondContact NE2-N 3.25Å; H349-G351 PolarHBondContact O-N 3Å; G351-N353 VanDerWaalsContact C-N 3.34Å; G351-N353 PolarHBondContact O-N 2.84Å; G351-S354 PolarHBondContact O-N 3.15Å; G351-S354 VanDerWaalsContact O-N 3.09Å; G351-T355 PolarHBondContact O-N 3.33Å; G351-T355 PolarHBondContact O-OG1 3.29Å
352W95.9Very high97.1Very high5 Ų57.4 Ų7.42%0.0194%0.042CC..Hα-helixtrans-51-48.6-168.7-179.1-120.4000114K137 M209 S210 L214 S354 T355 V356 D373 N377 W385K137-W352 HydrophobicContact CB-CD2 3.89Å; K137-W352 HydrophobicContact CB-CE3 3.89Å; K137-W352 HydrophobicContact CB-CG 4.5Å; K137-W352 HydrophobicContact CB-CH2 4.27Å; K137-W352 HydrophobicContact CB-CZ2 4.26Å; K137-W352 HydrophobicContact CB-CZ3 4.09Å; K137-W352 HydrophobicContact CD-CE3 4.28Å; K137-W352 HydrophobicContact CD-CH2 3.91Å; K137-W352 HydrophobicContact CD-CZ3 3.71Å; K137-W352 HydrophobicContact CG-CE3 4.36Å; K137-W352 HydrophobicContact CG-CH2 3.96Å; K137-W352 HydrophobicContact CG-CZ2 4.21Å; K137-W352 HydrophobicContact CG-CZ3 4.05Å; M209-W352 PolarHBondContact O-NE1 3.32Å; S210-W352 WeakPolarHBondContact OG-CZ2 2.91Å; L214-W352 HydrophobicContact CB-CH2 4.17Å; L214-W352 HydrophobicContact CD1-CH2 3.84Å; L214-W352 HydrophobicContact CD1-CZ2 4.24Å; W352-S354 PolarHBondContact O-N 3.39Å; W352-T355 WeakPolarHBondContact O-CB 3.47Å; W352-T355 PolarHBondContact O-N 2.97Å; W352-V356 HydrophobicContact CD2-CG2 3.64Å; W352-V356 HydrophobicContact CE3-CG2 3.85Å; W352-V356 HydrophobicContact CG-CG2 4.39Å; W352-V356 HydrophobicContact CH2-CG2 3.47Å; W352-V356 VanDerWaalsContact CH2-CG2 3.47Å; W352-V356 HydrophobicContact CZ2-CG2 3.24Å; W352-V356 HydrophobicContact CZ3-CG2 3.76Å; W352-V356 WeakPolarHBondContact O-CG2 3.42Å; W352-V356 PolarHBondContact O-N 2.84Å; W352-D373 VanDerWaalsContact CB-OD2 3.25Å; W352-D373 WeakPolarHBondContact CB-OD2 3.35Å; W352-D373 PolarHBondContact N-OD2 2.91Å; W352-D373 VanDerWaalsContact N-OD2 3.07Å; W352-N377 PolarHBondContact N-ND2 2.85Å; W352-W385 HydrophobicContact CH2-CH2 4.37Å; W352-W385 HydrophobicContact CZ3-CH2 4.05Å
353N93.6Very high97.1Very high38 Ų387.4 Ų7.420%0.2034%0.042CC..Hα-helixtrans-56.5-48.1-179.8-64.6-19.8000112.5G18 P22 G351 V356 E357G18-N353 WeakPolarHBondContact CA-ND2 3.44Å; G18-N353 PolarHBondContact O-ND2 3.23Å; P22-N353 WeakPolarHBondContact CG-ND2 3.36Å; P22-N353 WeakPolarHBondContact CG-OD1 3.2Å; G351-N353 VanDerWaalsContact C-N 3.34Å; G351-N353 PolarHBondContact O-N 2.84Å; N353-V356 PolarHBondContact O-N 3.2Å; N353-E357 WeakPolarHBondContact O-CB 3.31Å; N353-E357 VanDerWaalsContact O-CG 3.24Å; N353-E357 WeakPolarHBondContact O-CG 3.5Å; N353-E357 PolarHBondContact O-N 2.8Å
354S95.3Very high97.1Very high12 Ų127.6 Ų7.68%0.0844%0.043CC..Hα-helixtrans-67.7-36.9-179.1-59.60000111.9Q334 G351 W352 E357 S358Q334-S354 PolarHBondContact NE2-OG 3.13Å; G351-S354 PolarHBondContact O-N 3.15Å; G351-S354 VanDerWaalsContact O-N 3.09Å; W352-S354 PolarHBondContact O-N 3.39Å; S354-E357 PolarHBondContact O-N 3.12Å; S354-S358 WeakPolarHBondContact O-CB 3.38Å; S354-S358 PolarHBondContact O-N 3.25Å
355T97.1Very high97.2Very high0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-60.6-49174.5-61.30000110.8N350 G351 W352 S358 V359 M365 V381 W385N350-T355 WeakPolarHBondContact CA-OG1 3.25Å; N350-T355 PolarHBondContact O-OG1 2.83Å; G351-T355 PolarHBondContact O-N 3.33Å; G351-T355 PolarHBondContact O-OG1 3.29Å; W352-T355 WeakPolarHBondContact O-CB 3.47Å; W352-T355 PolarHBondContact O-N 2.97Å; T355-S358 WeakPolarHBondContact O-CB 3.37Å; T355-S358 PolarHBondContact O-N 3.37Å; T355-V359 WeakPolarHBondContact O-CG2 3.33Å; T355-V359 PolarHBondContact O-N 3.4Å; T355-M365 HydrophobicContact CG2-CE 4.31Å; T355-M365 HydrophobicContact CG2-SD 4.25Å; T355-V381 HydrophobicContact CG2-CG2 3.68Å; T355-W385 HydrophobicContact CG2-CZ3 3.96Å
356V95.4Very high97.2Very high5 Ų57.5 Ų7.53%0.034%0.042CC..Hα-helixtrans-71-35.2-178.4-169.30000112L214 P235 W352 N353 S358 V359 C360L214-V356 HydrophobicContact CD1-CG1 4.16Å; L214-V356 HydrophobicContact CD1-CG2 4.27Å; P235-V356 HydrophobicContact CB-CG1 3.44Å; P235-V356 VanDerWaalsContact CB-CG1 3.44Å; P235-V356 HydrophobicContact CG-CG1 3.59Å; W352-V356 HydrophobicContact CD2-CG2 3.64Å; W352-V356 HydrophobicContact CE3-CG2 3.85Å; W352-V356 HydrophobicContact CG-CG2 4.39Å; W352-V356 HydrophobicContact CH2-CG2 3.47Å; W352-V356 VanDerWaalsContact CH2-CG2 3.47Å; W352-V356 HydrophobicContact CZ2-CG2 3.24Å; W352-V356 HydrophobicContact CZ3-CG2 3.76Å; W352-V356 WeakPolarHBondContact O-CG2 3.42Å; W352-V356 PolarHBondContact O-N 2.84Å; N353-V356 PolarHBondContact O-N 3.2Å; V356-S358 VanDerWaalsContact C-N 3.34Å; V356-V359 PolarHBondContact O-N 3.08Å; V356-C360 WeakPolarHBondContact O-CB 3.07Å; V356-C360 PolarHBondContact O-N 3.47Å; V356-C360 PolarHBondContact O-SG 2.66Å
357E94.8Very high97.1Very high14 Ų147.5 Ų7.57%0.0654%0.042CC..Hα-helixtrans-58-46.3170.6-73.8171.117100111.3Q334 Q335 L338 N353 S354 V359 C360 E361Q334-E357 PolarHBondContact NE2-OE2 3.28Å; Q335-E357 HydrophobicContact CG-CG 4.39Å; Q335-E357 WeakPolarHBondContact CG-OE1 3.38Å; Q335-E357 PolarHBondContact NE2-OE1 2.87Å; L338-E357 HydrophobicContact CD1-CB 3.7Å; N353-E357 WeakPolarHBondContact O-CB 3.31Å; N353-E357 VanDerWaalsContact O-CG 3.24Å; N353-E357 WeakPolarHBondContact O-CG 3.5Å; N353-E357 PolarHBondContact O-N 2.8Å; S354-E357 PolarHBondContact O-N 3.12Å; E357-V359 PolarHBondContact O-N 3.11Å; E357-C360 PolarHBondContact O-N 3.36Å; E357-E361 PolarHBondContact O-N 3.36Å
358S97.7Very high97.1Very high0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-61.1-43.7177-1500000112.2S354 T355 V356 E361 G362 V363 M365S354-S358 WeakPolarHBondContact O-CB 3.38Å; S354-S358 PolarHBondContact O-N 3.25Å; T355-S358 WeakPolarHBondContact O-CB 3.37Å; T355-S358 PolarHBondContact O-N 3.37Å; V356-S358 VanDerWaalsContact C-N 3.34Å; S358-E361 PolarHBondContact O-N 3.41Å; S358-G362 PolarHBondContact O-N 3.37Å; S358-V363 PolarHBondContact O-N 3.31Å; S358-V363 PolarHBondContact OG-O 3.14Å; S358-M365 WeakPolarHBondContact OG-CG 3.43Å
359V97.5Very high97Very high0 Ų07.6 Ų7.60%04%0.043CC..Hα-helixtrans-63.7-44176.9169.90000111.5L214 T355 V356 E357 E361 G362 M365 W385 L423 K424 V427L214-V359 HydrophobicContact CD2-CG1 4.44Å; T355-V359 WeakPolarHBondContact O-CG2 3.33Å; T355-V359 PolarHBondContact O-N 3.4Å; V356-V359 PolarHBondContact O-N 3.08Å; E357-V359 PolarHBondContact O-N 3.11Å; V359-E361 PolarHBondContact O-N 3Å; V359-G362 PolarHBondContact O-N 3.16Å; V359-G362 VanDerWaalsContact O-N 3.16Å; V359-M365 HydrophobicContact CG2-CE 4.12Å; V359-W385 HydrophobicContact CG2-CZ3 4.39Å; V359-L423 HydrophobicContact CG1-CB 4.49Å; V359-L423 HydrophobicContact CG1-CD2 3.76Å; V359-L423 HydrophobicContact CG1-CG 3.69Å; V359-L423 HydrophobicContact CG2-CD2 3.93Å; V359-K424 WeakPolarHBondContact O-CA 3.45Å; V359-K424 VanDerWaalsContact O-CB 3.3Å; V359-K424 WeakPolarHBondContact O-CB 3.46Å; V359-V427 HydrophobicContact CG1-CB 4.49Å; V359-V427 HydrophobicContact CG1-CG2 3.88Å
360C95.3Very high96.8Very high15 Ų158.7 Ų8.710%0.1015%0.047CC..Hα-helixtrans-66.2-27.2179.9-69.50000112.7P235 H237 V356 E357 K424P235-C360 WeakPolarHBondContact CG-SG 3.38Å; H237-C360 PolarHBondContact CE1-SG 3Å; H237-C360 WeakPolarHBondContact NE2-CB 3.37Å; V356-C360 WeakPolarHBondContact O-CB 3.07Å; V356-C360 PolarHBondContact O-N 3.47Å; V356-C360 PolarHBondContact O-SG 2.66Å; E357-C360 PolarHBondContact O-N 3.36Å; C360-K424 WeakPolarHBondContact O-CD 3.39Å; C360-K424 WeakPolarHBondContact O-CE 3.08Å; C360-K424 WeakPolarHBondContact O-CG 3.42Å
361E96.5Very high96.4Very high35 Ų3516.4 Ų16.416%0.1648%0.077CC..Hα-helixtrans-93.6-9.8174.8-58.4-51.3156.400113.8L338 K339 E357 S358 V359 V363 K424L338-E361 HydrophobicContact CB-CB 4.3Å; L338-E361 HydrophobicContact CB-CG 4.08Å; L338-E361 WeakPolarHBondContact O-CB 3Å; K339-E361 WeakPolarHBondContact CE-OE1 3.38Å; K339-E361 HydrophobicContact CG-CG 3.8Å; K339-E361 WeakPolarHBondContact CG-OE1 3.33Å; K339-E361 WeakPolarHBondContact CG-OE2 3.33Å; E357-E361 PolarHBondContact O-N 3.36Å; S358-E361 PolarHBondContact O-N 3.41Å; V359-E361 PolarHBondContact O-N 3Å; E361-V363 HydrophobicContact CB-CG2 4.16Å; E361-K424 PolarHBondContact O-NZ 3.5Å; E361-K424 IonicContact OE2-NZ 3.95Å
362G97.8Very high96Very high2 Ų220.6 Ų20.62%0.0219%0.09CC..THydrogen-bonded Turntrans71.936179.700000111.9S358 V359 I420 Q421S358-G362 PolarHBondContact O-N 3.37Å; V359-G362 PolarHBondContact O-N 3.16Å; V359-G362 VanDerWaalsContact O-N 3.16Å; G362-I420 WeakPolarHBondContact O-CG2 3.46Å; G362-Q421 PolarHBondContact O-NE2 3.4Å
363V98.6Very high95.9Very high0 Ų021.1 Ų21.10%09%0.093CC..  trans-99.4115.1178.21760000109.2L338 I343 F346 S358 E361 I420L338-V363 HydrophobicContact CD2-CB 4.31Å; L338-V363 HydrophobicContact CD2-CG1 4.16Å; L338-V363 HydrophobicContact CD2-CG2 4.34Å; L338-V363 WeakPolarHBondContact O-CG2 3.43Å; I343-V363 HydrophobicContact CG2-CG1 3.64Å; I343-V363 HydrophobicContact CG2-CG2 4.05Å; F346-V363 HydrophobicContact CB-CG1 3.79Å; S358-V363 PolarHBondContact O-N 3.31Å; S358-V363 PolarHBondContact OG-O 3.14Å; E361-V363 HydrophobicContact CB-CG2 4.16Å; V363-I420 WeakPolarHBondContact O-CD1 3.17Å
364P98.8Very high96Very high4 Ų419.5 Ų19.53%0.0268%0.084CC..  trans-68.3154.8-179.733.9-40000111.5G344 G345 F346 L407 I416 R417 I420G344-P364 VanDerWaalsContact O-CD 3.29Å; G344-P364 WeakPolarHBondContact O-CD 3.45Å; G344-P364 WeakPolarHBondContact O-CG 3.3Å; G345-P364 CarbonylContact C-O 3.4Å; G345-P364 VanDerWaalsContact CA-O 3.29Å; G345-P364 WeakPolarHBondContact CA-O 3.39Å; F346-P364 PolarHBondContact N-O 3.32Å; P364-L407 HydrophobicContact CB-CD1 3.74Å; P364-L407 HydrophobicContact CB-CD2 4.34Å; P364-L407 HydrophobicContact CB-CG 4.39Å; P364-L407 HydrophobicContact CG-CD1 4.03Å; P364-L407 HydrophobicContact CG-CD2 4.17Å; P364-L407 HydrophobicContact CG-CG 4.19Å; P364-I416 HydrophobicContact CB-CG2 3.48Å; P364-I416 VanDerWaalsContact CB-CG2 3.48Å; P364-R417 HydrophobicContact CG-CG 3.88Å; P364-I420 HydrophobicContact CB-CG2 4.48Å
365M98.8Very high96.1Very high0 Ų019.4 Ų19.40%08%0.083CC..EExtended strand (participates in β ladder)trans-115.3147.4-168.8-71.7167.9-82.900113.4F346 T348 T355 S358 V359 V381 V387 G388 I389 I420F346-M365 HydrophobicContact CB-CG 4.36Å; F346-M365 HydrophobicContact CD1-CG 4.49Å; F346-M365 CarbonylContact O-C 3.51Å; F346-M365 VanDerWaalsContact O-CA 3.23Å; F346-M365 WeakPolarHBondContact O-CA 3.29Å; T348-M365 HydrophobicContact CG2-CB 4.27Å; T348-M365 HydrophobicContact CG2-CG 4.02Å; T348-M365 HydrophobicContact CG2-SD 4.1Å; T355-M365 HydrophobicContact CG2-CE 4.31Å; T355-M365 HydrophobicContact CG2-SD 4.25Å; S358-M365 WeakPolarHBondContact OG-CG 3.43Å; V359-M365 HydrophobicContact CG2-CE 4.12Å; M365-V381 HydrophobicContact CB-CG1 4.05Å; M365-V381 HydrophobicContact CE-CB 4.34Å; M365-V381 HydrophobicContact CE-CG1 3.72Å; M365-V381 HydrophobicContact CE-CG2 3.59Å; M365-V381 HydrophobicContact SD-CG1 4.32Å; M365-V381 HydrophobicContact SD-CG2 4.11Å; M365-V387 HydrophobicContact CE-CG2 4.1Å; M365-V387 PolarHBondContact N-O 3.38Å; M365-G388 CarbonylContact O-C 3.58Å; M365-G388 WeakPolarHBondContact O-CA 3.29Å; M365-I389 PolarHBondContact O-N 3.07Å; M365-I420 HydrophobicContact CE-CD1 4.41Å
366I98.9Very high96Very high0 Ų019.7 Ų19.70%08%0.084CC..EExtended strand (participates in β ladder)trans-105.4119.3157.2-56.5175.7000106.3I267 F346 L347 T348 I389 L391 A403 I404 L407I267-I366 HydrophobicContact CD1-CD1 3.95Å; F346-I366 PolarHBondContact O-N 3.41Å; L347-I366 WeakPolarHBondContact CA-O 3.49Å; L347-I366 HydrophobicContact CB-CB 4.17Å; L347-I366 HydrophobicContact CG-CB 4.06Å; L347-I366 HydrophobicContact CG-CG2 4.1Å; T348-I366 PolarHBondContact N-O 3.13Å; I366-I389 CarbonylContact C-O 3.51Å; I366-I389 WeakPolarHBondContact CA-O 2.99Å; I366-L391 HydrophobicContact CG2-CD1 3.88Å; I366-L391 HydrophobicContact CG2-CD2 4.06Å; I366-L391 HydrophobicContact CG2-CG 3.75Å; I366-A403 HydrophobicContact CD1-CB 3.95Å; I366-A403 HydrophobicContact CG1-CB 4.44Å; I366-A403 HydrophobicContact CG2-CB 3.96Å; I366-I404 HydrophobicContact CD1-CB 4.39Å; I366-I404 HydrophobicContact CD1-CG1 3.73Å; I366-L407 HydrophobicContact CD1-CB 4.5Å; I366-L407 HydrophobicContact CD1-CD2 4.18Å; I366-L407 HydrophobicContact CG1-CB 4.47Å; I366-L407 HydrophobicContact CG1-CD2 3.67Å
367C98.8Very high96.1Very high0 Ų019.4 Ų19.40%08%0.083CC..EExtended strand (participates in β ladder)trans-93.6122.3-171.2-53.70000111.1N350 A378 V381 I389 H390 L391N350-C367 PolarHBondContact ND2-SG 3.29Å; N350-C367 WeakPolarHBondContact OD1-CA 3.44Å; N350-C367 WeakPolarHBondContact OD1-CB 3.5Å; C367-A378 HydrophobicContact CB-CB 3.73Å; C367-V381 WeakPolarHBondContact SG-CG1 3.26Å; C367-I389 PolarHBondContact N-O 3.12Å; C367-H390 HydrophobicContact CB-CB 4.25Å; C367-H390 PolarHBondContact O-CD2 2.98Å; C367-L391 PolarHBondContact O-N 2.89Å
368L97.8Very high96.3Very high1 Ų118.8 Ų18.81%0.0058%0.08CC..  trans-130.872.6175.4-17459.3000111.2L347 T348 H349 N350 F370 L391 I395L347-L368 HydrophobicContact CD2-CB 4.11Å; L347-L368 HydrophobicContact CD2-CD2 4.22Å; T348-L368 PolarHBondContact O-N 3.45Å; H349-L368 VanDerWaalsContact CA-O 3.31Å; H349-L368 WeakPolarHBondContact CA-O 3.06Å; N350-L368 PolarHBondContact OD1-N 3.41Å; L368-F370 HydrophobicContact CD2-CE2 4.17Å; L368-F370 HydrophobicContact CD2-CZ 3.98Å; L368-F370 HydrophobicContact CG-CE2 3.88Å; L368-F370 HydrophobicContact CG-CZ 3.99Å; L368-F370 WeakPolarHBondContact O-CD2 3.41Å; L368-F370 WeakPolarHBondContact O-CE2 3.33Å; L368-L391 HydrophobicContact CB-CD1 4.28Å; L368-L391 HydrophobicContact CD1-CB 4.21Å; L368-L391 HydrophobicContact CD1-CD1 4.07Å; L368-I395 HydrophobicContact CD1-CD1 4.07Å; L368-I395 HydrophobicContact CD1-CG1 3.63Å; L368-I395 HydrophobicContact CD2-CD1 4.09Å; L368-I395 HydrophobicContact CD2-CG1 4.04Å; L368-I395 HydrophobicContact CG-CD1 4.43Å; L368-I395 HydrophobicContact CG-CG1 4.37Å
369P96.8Very high96.2Very high2 Ų218.9 Ų18.91%0.0138%0.08CC..  trans-75.8143-174.131.6-36.8000113.5R180 Q374 L375 A378 H390R180-P369 PolarHBondContact NH2-O 2.83Å; P369-Q374 VanDerWaalsContact CB-C 3.45Å; P369-Q374 HydrophobicContact CB-CB 3.68Å; P369-L375 HydrophobicContact CB-CB 4.24Å; P369-L375 HydrophobicContact CG-CB 4.44Å; P369-L375 HydrophobicContact CG-CD1 3.82Å; P369-A378 HydrophobicContact CB-CB 4.2Å; P369-A378 HydrophobicContact CG-CB 3.84Å; P369-H390 WeakPolarHBondContact CD-NE2 3.41Å; P369-H390 VanDerWaalsContact CG-NE2 3.33Å; P369-H390 WeakPolarHBondContact CG-NE2 3.49Å
370F92.8Very high96.2Very high41 Ų4119.9 Ų19.918%0.189%0.085CC..  trans-113.4-53.8179-64.8-96.3000113.1I271 V275 I277 H349 L368 I395I271-F370 HydrophobicContact CB-CE2 4.36Å; I271-F370 HydrophobicContact CG2-CE2 4.06Å; V275-F370 HydrophobicContact CB-CD2 4.42Å; V275-F370 HydrophobicContact CG1-CB 4.2Å; V275-F370 HydrophobicContact CG1-CD1 3.77Å; V275-F370 HydrophobicContact CG1-CD2 3.56Å; V275-F370 HydrophobicContact CG1-CE1 3.98Å; V275-F370 HydrophobicContact CG1-CE2 3.78Å; V275-F370 HydrophobicContact CG1-CG 3.56Å; V275-F370 HydrophobicContact CG1-CZ 3.98Å; V275-F370 HydrophobicContact CG2-CB 4.13Å; V275-F370 HydrophobicContact CG2-CD2 3.98Å; V275-F370 HydrophobicContact CG2-CG 4.18Å; I277-F370 HydrophobicContact CG2-CE1 3.98Å; I277-F370 HydrophobicContact CG2-CZ 4Å; H349-F370 HydrophobicContact CB-CD2 4.05Å; H349-F370 HydrophobicContact CB-CE2 4.39Å; L368-F370 HydrophobicContact CD2-CE2 4.17Å; L368-F370 HydrophobicContact CD2-CZ 3.98Å; L368-F370 HydrophobicContact CG-CE2 3.88Å; L368-F370 HydrophobicContact CG-CZ 3.99Å; L368-F370 WeakPolarHBondContact O-CD2 3.41Å; L368-F370 WeakPolarHBondContact O-CE2 3.33Å; F370-I395 HydrophobicContact CE1-CD1 3.98Å; F370-I395 HydrophobicContact CZ-CD1 4.04Å
371R88.9Confident96.4Very high163 Ų16319.2 Ų19.262%0.6158%0.08SC*.SBendtrans-149.6168.7-171-61.8-170.1180-173.1-1113.9D373 Q374R371-D373 PolarHBondContact O-N 3.33Å; R371-Q374 WeakPolarHBondContact O-CB 3.47Å; R371-Q374 WeakPolarHBondContact O-CG 3.29Å; R371-Q374 PolarHBondContact O-N 3.4Å; R371-Q374 PolarHBondContact O-NE2 3.37Å; R371-Q374 PolarHBondContact O-OE1 2.86Å
372W89.3Confident96.5Very high96 Ų9618.3 Ų18.336%0.3648%0.078SC..THydrogen-bonded Turntrans56.1-126.6176-47.6-43000113.5V74 F140 L274 Q374V74-W372 HydrophobicContact CB-CH2 4.22Å; V74-W372 HydrophobicContact CB-CZ2 3.64Å; V74-W372 HydrophobicContact CG1-CH2 4.02Å; V74-W372 HydrophobicContact CG1-CZ2 3.62Å; V74-W372 HydrophobicContact CG2-CH2 3.96Å; V74-W372 HydrophobicContact CG2-CZ2 3.82Å; F140-W372 VanDerWaalsContact CE2-C 3.42Å; F140-W372 WeakPolarHBondContact CE2-O 3.46Å; F140-W372 HydrophobicContact CZ-CB 4.24Å; L274-W372 HydrophobicContact CB-CH2 3.82Å; L274-W372 HydrophobicContact CB-CZ3 4.11Å; L274-W372 HydrophobicContact CD1-CH2 3.38Å; L274-W372 HydrophobicContact CD1-CZ3 3.56Å; L274-W372 HydrophobicContact CG-CH2 4.16Å; L274-W372 HydrophobicContact CG-CZ3 4.44Å; W372-Q374 PolarHBondContact O-N 3.19Å
373D93.8Very high96.4Very high16 Ų1621 Ų219%0.0869%0.091CC..THydrogen-bonded Turntrans-75.1-13.3-176.764.7-40.7000113.5F140 W352 R371 L375 L376 N377F140-D373 HydrophobicContact CB-CB 4.05Å; F140-D373 HydrophobicContact CD1-CB 3.86Å; F140-D373 HydrophobicContact CD2-CB 3.57Å; F140-D373 HydrophobicContact CE1-CB 4.19Å; F140-D373 VanDerWaalsContact CE2-CA 3.45Å; F140-D373 HydrophobicContact CE2-CB 3.92Å; F140-D373 HydrophobicContact CG-CB 3.52Å; F140-D373 HydrophobicContact CZ-CB 4.21Å; W352-D373 VanDerWaalsContact CB-OD2 3.25Å; W352-D373 WeakPolarHBondContact CB-OD2 3.35Å; W352-D373 PolarHBondContact N-OD2 2.91Å; W352-D373 VanDerWaalsContact N-OD2 3.07Å; R371-D373 PolarHBondContact O-N 3.33Å; D373-L375 PolarHBondContact O-N 2.95Å; D373-L376 PolarHBondContact O-N 3.49Å; D373-N377 WeakPolarHBondContact O-CB 3.23Å; D373-N377 PolarHBondContact O-N 2.83Å; D373-N377 PolarHBondContact O-ND2 2.85Å; D373-N377 PolarHBondContact OD2-ND2 3.1Å
374Q96.2Very high96.3Very high4 Ų424.3 Ų24.32%0.01911%0.112CC..Hα-helixtrans-58-45.3-171-67.1166.427.200113H349 P369 R371 W372 N377 A378H349-Q374 PolarHBondContact CD2-NE2 3.42Å; H349-Q374 WeakPolarHBondContact O-CB 3.32Å; H349-Q374 WeakPolarHBondContact O-CG 3.3Å; P369-Q374 VanDerWaalsContact CB-C 3.45Å; P369-Q374 HydrophobicContact CB-CB 3.68Å; R371-Q374 WeakPolarHBondContact O-CB 3.47Å; R371-Q374 WeakPolarHBondContact O-CG 3.29Å; R371-Q374 PolarHBondContact O-N 3.4Å; R371-Q374 PolarHBondContact O-NE2 3.37Å; R371-Q374 PolarHBondContact O-OE1 2.86Å; W372-Q374 PolarHBondContact O-N 3.19Å; Q374-N377 PolarHBondContact O-N 3.11Å; Q374-A378 VanDerWaalsContact O-CB 3.32Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.41Å
375L95.8Very high96.2Very high10 Ų1025.8 Ų25.85%0.05212%0.116CC..Hα-helixtrans-66.9-42.2-178.9-178.557.8000111.6D177 I181 P369 D373 A378 R379D177-L375 HydrophobicContact CB-CD2 3.78Å; D177-L375 HydrophobicContact CB-CG 4.37Å; I181-L375 HydrophobicContact CD1-CD2 4.21Å; I181-L375 HydrophobicContact CG1-CD2 4.14Å; P369-L375 HydrophobicContact CB-CB 4.24Å; P369-L375 HydrophobicContact CG-CB 4.44Å; P369-L375 HydrophobicContact CG-CD1 3.82Å; D373-L375 PolarHBondContact O-N 2.95Å; L375-A378 PolarHBondContact O-N 2.93Å; L375-R379 WeakPolarHBondContact O-CG 3.35Å; L375-R379 PolarHBondContact O-N 2.83Å; L375-R379 VanDerWaalsContact O-N 3.09Å
376L95.9Very high96.2Very high5 Ų530.2 Ų30.23%0.02614%0.138CC..Hα-helixtrans-63.4-46.3175.9-177.863.9000110.9F140 F170 L173 D373 A378 R379 F380F140-L376 HydrophobicContact CB-CD2 3.99Å; F140-L376 HydrophobicContact CD2-CD2 4.25Å; F170-L376 HydrophobicContact CE1-CD1 4.47Å; F170-L376 HydrophobicContact CE1-CD2 4.36Å; F170-L376 HydrophobicContact CZ-CD2 3.96Å; L173-L376 HydrophobicContact CD2-CB 4.29Å; L173-L376 HydrophobicContact CD2-CD1 3.73Å; L173-L376 HydrophobicContact CG-CD1 3.85Å; D373-L376 PolarHBondContact O-N 3.49Å; L376-A378 VanDerWaalsContact C-N 3.33Å; L376-A378 PolarHBondContact O-N 2.85Å; L376-R379 PolarHBondContact O-N 3.39Å; L376-F380 HydrophobicContact CD1-CD2 4.22Å; L376-F380 HydrophobicContact CD1-CE2 3.89Å; L376-F380 HydrophobicContact CG-CD2 4.12Å; L376-F380 HydrophobicContact CG-CE2 4.02Å; L376-F380 WeakPolarHBondContact O-CD2 3.39Å; L376-F380 PolarHBondContact O-N 3.38Å
377N97.5Very high96.2Very high0 Ų030.2 Ų30.20%014%0.139CC..Hα-helixtrans-61.1-41.9177-66.2-23.1000111.5N350 W352 D373 Q374 R379 F380 V381N350-N377 HydrophobicContact CB-CB 4.09Å; N350-N377 WeakPolarHBondContact O-CB 2.94Å; N350-N377 PolarHBondContact O-ND2 2.82Å; W352-N377 PolarHBondContact N-ND2 2.85Å; D373-N377 WeakPolarHBondContact O-CB 3.23Å; D373-N377 PolarHBondContact O-N 2.83Å; D373-N377 PolarHBondContact O-ND2 2.85Å; D373-N377 PolarHBondContact OD2-ND2 3.1Å; Q374-N377 PolarHBondContact O-N 3.11Å; N377-R379 VanDerWaalsContact C-N 3.33Å; N377-R379 PolarHBondContact O-N 3.47Å; N377-F380 PolarHBondContact O-N 2.73Å; N377-V381 WeakPolarHBondContact O-CG2 3.37Å; N377-V381 PolarHBondContact O-N 2.74Å
378A98.2Very high96.2Very high0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-58.4-43.317600000111.7N350 C367 P369 Q374 L375 L376 V381 S382N350-A378 HydrophobicContact CB-CB 4.28Å; C367-A378 HydrophobicContact CB-CB 3.73Å; P369-A378 HydrophobicContact CB-CB 4.2Å; P369-A378 HydrophobicContact CG-CB 3.84Å; Q374-A378 VanDerWaalsContact O-CB 3.32Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.41Å; L375-A378 PolarHBondContact O-N 2.93Å; L376-A378 VanDerWaalsContact C-N 3.33Å; L376-A378 PolarHBondContact O-N 2.85Å; A378-V381 PolarHBondContact O-N 3.22Å; A378-S382 PolarHBondContact O-N 2.87Å; A378-S382 PolarHBondContact O-OG 3.23Å; A378-S382 VanDerWaalsContact O-OG 3.07Å
379R97.2Very high96.2Very high2 Ų231 Ų311%0.00814%0.144CC..Hα-helixtrans-65.3-39175-70-74-178.8-143.4-5.1112.9P172 L173 R174 D177 L375 L376 N377 V381 D383 V384 E392P172-R379 HydrophobicContact CB-CB 4.22Å; P172-R379 HydrophobicContact CG-CB 3.62Å; L173-R379 HydrophobicContact CD2-CG 4.23Å; R174-R379 VanDerWaalsContact NH2-NH1 3.13Å; D177-R379 IonicContact OD1-CZ 3.99Å; D177-R379 IonicContact OD1-NE 3.82Å; D177-R379 IonicContact OD1-NH2 2.73Å; D177-R379 PolarHBondContact OD1-NH2 2.92Å; D177-R379 IonicContact OD2-CZ 3.7Å; D177-R379 IonicContact OD2-NE 2.64Å; D177-R379 PolarHBondContact OD2-NE 3.21Å; D177-R379 IonicContact OD2-NH2 3.77Å; D177-R379 PolarHBondContact OD2-NH2 3.4Å; L375-R379 WeakPolarHBondContact O-CG 3.35Å; L375-R379 PolarHBondContact O-N 2.83Å; L375-R379 VanDerWaalsContact O-N 3.09Å; L376-R379 PolarHBondContact O-N 3.39Å; N377-R379 VanDerWaalsContact C-N 3.33Å; N377-R379 PolarHBondContact O-N 3.47Å; R379-V381 VanDerWaalsContact C-N 3.31Å; R379-V381 PolarHBondContact O-N 3.2Å; R379-D383 VanDerWaalsContact CD-OD2 3.25Å; R379-D383 WeakPolarHBondContact CD-OD2 3.46Å; R379-D383 IonicContact NH1-OD2 2.84Å; R379-D383 PolarHBondContact NH1-OD2 3.09Å; R379-D383 WeakPolarHBondContact O-CA 3.32Å; R379-D383 VanDerWaalsContact O-CB 3.28Å; R379-D383 WeakPolarHBondContact O-CB 3.36Å; R379-D383 PolarHBondContact O-N 3.01Å; R379-V384 PolarHBondContact O-N 3.24Å; R379-E392 IonicContact CZ-OE1 3.57Å; R379-E392 VanDerWaalsContact CZ-OE1 3.27Å; R379-E392 IonicContact NH1-OE1 2.65Å; R379-E392 PolarHBondContact NH1-OE1 3.41Å; R379-E392 IonicContact NH2-OE1 2.72Å; R379-E392 PolarHBondContact NH2-OE1 2.92Å
380F97.5Very high96.3Very high22 Ų2231.8 Ų31.810%0.09615%0.148CC..Iπ-helixtrans-60.9-43.1171.5-88.8-79000111.6K137 S139 P172 L376 N377 V384 W385K137-F380 HydrophobicContact CD-CD2 4.46Å; K137-F380 HydrophobicContact CD-CE2 4.49Å; K137-F380 VanDerWaalsContact NZ-CE2 3.33Å; K137-F380 VanDerWaalsContact NZ-CG 3.34Å; S139-F380 WeakPolarHBondContact OG-CZ 3.3Å; P172-F380 VanDerWaalsContact CD-CE2 3.49Å; P172-F380 HydrophobicContact CG-CD2 4.06Å; P172-F380 HydrophobicContact CG-CE2 4.08Å; P172-F380 HydrophobicContact CG-CG 4.35Å; P172-F380 HydrophobicContact CG-CZ 4.39Å; L376-F380 HydrophobicContact CD1-CD2 4.22Å; L376-F380 HydrophobicContact CD1-CE2 3.89Å; L376-F380 HydrophobicContact CG-CD2 4.12Å; L376-F380 HydrophobicContact CG-CE2 4.02Å; L376-F380 WeakPolarHBondContact O-CD2 3.39Å; L376-F380 PolarHBondContact O-N 3.38Å; N377-F380 PolarHBondContact O-N 2.73Å; F380-V384 HydrophobicContact CD1-CB 3.85Å; F380-V384 HydrophobicContact CD1-CG1 3.99Å; F380-V384 HydrophobicContact CD1-CG2 3.77Å; F380-V384 HydrophobicContact CE1-CB 4.44Å; F380-V384 HydrophobicContact CE1-CG1 4.26Å; F380-V384 HydrophobicContact CE1-CG2 4.1Å; F380-V384 HydrophobicContact CG-CG2 4.37Å; F380-V384 PolarHBondContact O-N 3.07Å; F380-W385 HydrophobicContact CB-CD2 4.38Å; F380-W385 HydrophobicContact CB-CE3 4.41Å; F380-W385 HydrophobicContact CB-CH2 4.11Å; F380-W385 HydrophobicContact CB-CZ2 4.06Å; F380-W385 HydrophobicContact CB-CZ3 4.29Å; F380-W385 HydrophobicContact CD1-CZ2 4.16Å; F380-W385 HydrophobicContact CG-CZ2 4.37Å; F380-W385 WeakPolarHBondContact O-CB 3.34Å; F380-W385 PolarHBondContact O-N 2.88Å
381V98.5Very high96.6Very high0 Ų030 Ų300%014%0.14CC..Iπ-helixtrans-65.1-47.6179.6167.40000112.1T355 M365 C367 N377 A378 R379 W385 M386 V387 G388T355-V381 HydrophobicContact CG2-CG2 3.68Å; M365-V381 HydrophobicContact CB-CG1 4.05Å; M365-V381 HydrophobicContact CE-CB 4.34Å; M365-V381 HydrophobicContact CE-CG1 3.72Å; M365-V381 HydrophobicContact CE-CG2 3.59Å; M365-V381 HydrophobicContact SD-CG1 4.32Å; M365-V381 HydrophobicContact SD-CG2 4.11Å; C367-V381 WeakPolarHBondContact SG-CG1 3.26Å; N377-V381 WeakPolarHBondContact O-CG2 3.37Å; N377-V381 PolarHBondContact O-N 2.74Å; A378-V381 PolarHBondContact O-N 3.22Å; R379-V381 VanDerWaalsContact C-N 3.31Å; R379-V381 PolarHBondContact O-N 3.2Å; V381-W385 HydrophobicContact CG2-CE3 3.89Å; V381-W385 HydrophobicContact CG2-CZ3 3.79Å; V381-M386 CarbonylContact O-C 3.54Å; V381-M386 WeakPolarHBondContact O-CA 3.26Å; V381-M386 PolarHBondContact O-N 2.84Å; V381-M386 VanDerWaalsContact O-N 3.14Å; V381-V387 HydrophobicContact CG1-CG2 3.99Å; V381-V387 PolarHBondContact O-N 3.11Å; V381-G388 PolarHBondContact O-N 3.48Å
382S98Very high96.8Very high17 Ų1725.3 Ų25.312%0.11913%0.125CC..Iπ-helixtrans-84-40.5-17561.50000113.7A378 M386A378-S382 PolarHBondContact O-N 2.87Å; A378-S382 PolarHBondContact O-OG 3.23Å; A378-S382 VanDerWaalsContact O-OG 3.07Å; S382-M386 WeakPolarHBondContact O-CA 3.46Å
383D96.6Very high96.8Very high58 Ų5822.5 Ų22.531%0.3113%0.125SC..Iπ-helixtrans-104.5-35.7-164.9-575.5000111.5R174 R379R174-D383 IonicContact CZ-OD2 2.72Å; R174-D383 IonicContact NE-OD2 3.92Å; R174-D383 IonicContact NH2-OD1 3.17Å; R174-D383 IonicContact NH2-OD2 2.89Å; R174-D383 PolarHBondContact NH2-OD2 3.43Å; R379-D383 VanDerWaalsContact CD-OD2 3.25Å; R379-D383 WeakPolarHBondContact CD-OD2 3.46Å; R379-D383 IonicContact NH1-OD2 2.84Å; R379-D383 PolarHBondContact NH1-OD2 3.09Å; R379-D383 WeakPolarHBondContact O-CA 3.32Å; R379-D383 VanDerWaalsContact O-CB 3.28Å; R379-D383 WeakPolarHBondContact O-CB 3.36Å; R379-D383 PolarHBondContact O-N 3.01Å
384V96.4Very high96.8Very high70 Ų7026.5 Ų26.542%0.42414%0.139SC..Iπ-helixtrans-91.9-52.6-176.8-176.20000111.8P172 R379 F380P172-V384 HydrophobicContact CB-CG2 3.72Å; P172-V384 HydrophobicContact CG-CG2 3.75Å; R379-V384 PolarHBondContact O-N 3.24Å; F380-V384 HydrophobicContact CD1-CB 3.85Å; F380-V384 HydrophobicContact CD1-CG1 3.99Å; F380-V384 HydrophobicContact CD1-CG2 3.77Å; F380-V384 HydrophobicContact CE1-CB 4.44Å; F380-V384 HydrophobicContact CE1-CG1 4.26Å; F380-V384 HydrophobicContact CE1-CG2 4.1Å; F380-V384 HydrophobicContact CG-CG2 4.37Å; F380-V384 PolarHBondContact O-N 3.07Å
385W97.7Very high96.8Very high34 Ų3427.4 Ų27.413%0.12914%0.144CC..SBendtrans-88.6-23-180-54.3-28.9000112.2L214 W352 T355 V359 F380 V381 V387 L423L214-W385 HydrophobicContact CB-CH2 4.49Å; L214-W385 HydrophobicContact CB-CZ2 3.98Å; L214-W385 HydrophobicContact CD2-CH2 3.88Å; L214-W385 HydrophobicContact CD2-CZ2 3.63Å; L214-W385 HydrophobicContact CD2-CZ3 4.49Å; L214-W385 HydrophobicContact CG-CZ2 4.38Å; W352-W385 HydrophobicContact CH2-CH2 4.37Å; W352-W385 HydrophobicContact CZ3-CH2 4.05Å; T355-W385 HydrophobicContact CG2-CZ3 3.96Å; V359-W385 HydrophobicContact CG2-CZ3 4.39Å; F380-W385 HydrophobicContact CB-CD2 4.38Å; F380-W385 HydrophobicContact CB-CE3 4.41Å; F380-W385 HydrophobicContact CB-CH2 4.11Å; F380-W385 HydrophobicContact CB-CZ2 4.06Å; F380-W385 HydrophobicContact CB-CZ3 4.29Å; F380-W385 HydrophobicContact CD1-CZ2 4.16Å; F380-W385 HydrophobicContact CG-CZ2 4.37Å; F380-W385 WeakPolarHBondContact O-CB 3.34Å; F380-W385 PolarHBondContact O-N 2.88Å; V381-W385 HydrophobicContact CG2-CE3 3.89Å; V381-W385 HydrophobicContact CG2-CZ3 3.79Å; W385-V387 HydrophobicContact CB-CB 4.47Å; W385-V387 HydrophobicContact CB-CG1 4.01Å; W385-V387 HydrophobicContact CB-CG2 3.84Å; W385-V387 HydrophobicContact CE3-CG2 4.12Å; W385-V387 WeakPolarHBondContact O-CG1 3.24Å; W385-V387 PolarHBondContact O-N 3.36Å; W385-L423 HydrophobicContact CB-CD2 4.07Å; W385-L423 HydrophobicContact CD2-CD2 3.94Å; W385-L423 HydrophobicContact CE3-CD2 4.01Å; W385-L423 HydrophobicContact CG-CD2 3.97Å
386M98.3Very high96.9Very high93 Ų9331.2 Ų31.246%0.45816%0.162SC..  trans5636.8-176.9-57175.7-76.500113V381 S382 R419V381-M386 CarbonylContact O-C 3.54Å; V381-M386 WeakPolarHBondContact O-CA 3.26Å; V381-M386 PolarHBondContact O-N 2.84Å; V381-M386 VanDerWaalsContact O-N 3.14Å; S382-M386 WeakPolarHBondContact O-CA 3.46Å; M386-R419 VanDerWaalsContact O-CZ 3.3Å; M386-R419 PolarHBondContact O-NE 3.11Å; M386-R419 PolarHBondContact O-NH2 3.44Å
387V98.7Very high97Very high1 Ų134.7 Ų34.71%0.00618%0.175CC..  trans-105.316.3-177.5-60.30000113.1M365 V381 W385 R419 I420 L423M365-V387 HydrophobicContact CE-CG2 4.1Å; M365-V387 PolarHBondContact N-O 3.38Å; V381-V387 HydrophobicContact CG1-CG2 3.99Å; V381-V387 PolarHBondContact O-N 3.11Å; W385-V387 HydrophobicContact CB-CB 4.47Å; W385-V387 HydrophobicContact CB-CG1 4.01Å; W385-V387 HydrophobicContact CB-CG2 3.84Å; W385-V387 HydrophobicContact CE3-CG2 4.12Å; W385-V387 WeakPolarHBondContact O-CG1 3.24Å; W385-V387 PolarHBondContact O-N 3.36Å; V387-R419 HydrophobicContact CG1-CB 4.05Å; V387-I420 HydrophobicContact CB-CB 3.84Å; V387-I420 HydrophobicContact CB-CD1 4.1Å; V387-I420 HydrophobicContact CB-CG1 3.89Å; V387-I420 HydrophobicContact CG1-CB 3.76Å; V387-I420 HydrophobicContact CG1-CG1 4Å; V387-I420 HydrophobicContact CG2-CD1 4.35Å; V387-I420 HydrophobicContact CG2-CG1 4.38Å; V387-L423 HydrophobicContact CG1-CD2 4.13Å; V387-L423 HydrophobicContact CG2-CD2 4.24Å
388G98.7Very high97.1Very high7 Ų739.4 Ų39.47%0.07220%0.2CC..EExtended strand (participates in β ladder)trans-168.8173.9175.600000114.3M365 V381M365-G388 CarbonylContact O-C 3.58Å; M365-G388 WeakPolarHBondContact O-CA 3.29Å; V381-G388 PolarHBondContact O-N 3.48Å
389I98.6Very high97.1Very high10 Ų1040.9 Ų40.95%0.05121%0.207CC..EExtended strand (participates in β ladder)trans-110.7125.8-178.9-58.8176.8000108.7M365 I366 C367 A403 R406 L407 I416M365-I389 PolarHBondContact O-N 3.07Å; I366-I389 CarbonylContact C-O 3.51Å; I366-I389 WeakPolarHBondContact CA-O 2.99Å; C367-I389 PolarHBondContact N-O 3.12Å; I389-A403 HydrophobicContact CG2-CB 4.4Å; I389-R406 HydrophobicContact CD1-CB 3.82Å; I389-L407 HydrophobicContact CD1-CB 4.03Å; I389-L407 HydrophobicContact CD1-CD1 4.35Å; I389-L407 HydrophobicContact CG1-CD1 4.5Å; I389-I416 HydrophobicContact CD1-CD1 4.22Å; I389-I416 HydrophobicContact CG1-CD1 3.72Å
390H98.2Very high97.2Very high19 Ų1940.8 Ų40.89%0.08821%0.206CC..EExtended strand (participates in β ladder)trans-94.6125177.7-170.8-172.1000111.5C367 P369 E392C367-H390 HydrophobicContact CB-CB 4.25Å; C367-H390 PolarHBondContact O-CD2 2.98Å; P369-H390 WeakPolarHBondContact CD-NE2 3.41Å; P369-H390 VanDerWaalsContact CG-NE2 3.33Å; P369-H390 WeakPolarHBondContact CG-NE2 3.49Å; H390-E392 VanDerWaalsContact C-N 3.27Å; H390-E392 HydrophobicContact CB-CG 4.49Å; H390-E392 PolarHBondContact CD2-N 3.25Å; H390-E392 PolarHBondContact O-N 2.98Å
391L97.9Very high97.2Very high3 Ų342 Ų422%0.01621%0.212CC..  trans-73.7-18.3176.4-66-179.7000113I366 C367 L368 G393 R394 I400 A403I366-L391 HydrophobicContact CG2-CD1 3.88Å; I366-L391 HydrophobicContact CG2-CD2 4.06Å; I366-L391 HydrophobicContact CG2-CG 3.75Å; C367-L391 PolarHBondContact O-N 2.89Å; L368-L391 HydrophobicContact CB-CD1 4.28Å; L368-L391 HydrophobicContact CD1-CB 4.21Å; L368-L391 HydrophobicContact CD1-CD1 4.07Å; L391-G393 VanDerWaalsContact C-N 3.29Å; L391-G393 PolarHBondContact O-N 3.31Å; L391-R394 VanDerWaalsContact O-CB 3.25Å; L391-R394 WeakPolarHBondContact O-CB 3.33Å; L391-R394 PolarHBondContact O-N 2.88Å; L391-R394 PolarHBondContact O-NE 3Å; L391-I400 HydrophobicContact CD1-CG1 4.26Å; L391-A403 HydrophobicContact CD2-CB 3.62Å
392E94.1Very high97.2Very high65 Ų6546.7 Ų46.730%0.30423%0.23SC..THydrogen-bonded Turntrans57.138-178-54.9-152.7136.700113.6R174 K176 R379 H390 R394R174-E392 IonicContact NH1-OE1 3.83Å; R174-E392 PolarHBondContact NH1-OE1 3.46Å; K176-E392 IonicContact NZ-OE1 2.84Å; K176-E392 PolarHBondContact NZ-OE1 2.84Å; K176-E392 IonicContact NZ-OE2 2.76Å; K176-E392 PolarHBondContact NZ-OE2 3.02Å; R379-E392 IonicContact CZ-OE1 3.57Å; R379-E392 VanDerWaalsContact CZ-OE1 3.27Å; R379-E392 IonicContact NH1-OE1 2.65Å; R379-E392 PolarHBondContact NH1-OE1 3.41Å; R379-E392 IonicContact NH2-OE1 2.72Å; R379-E392 PolarHBondContact NH2-OE1 2.92Å; H390-E392 VanDerWaalsContact C-N 3.27Å; H390-E392 HydrophobicContact CB-CG 4.49Å; H390-E392 PolarHBondContact CD2-N 3.25Å; H390-E392 PolarHBondContact O-N 2.98Å; E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 3.44Å
393G88.8Confident97.2Very high36 Ų3646 Ų4637%0.37123%0.225SC..THydrogen-bonded Turntrans830.2177.800000115.1L391 I395L391-G393 VanDerWaalsContact C-N 3.29Å; L391-G393 PolarHBondContact O-N 3.31Å; G393-I395 PolarHBondContact O-N 3.16Å
394R93.8Very high97.3Very high100 Ų10043.2 Ų43.238%0.37721%0.21SC..  trans-76.2101.9175.6-73.5-176.5-65.8-174.5-1.9111.6L391 E392 E396 E399L391-R394 VanDerWaalsContact O-CB 3.25Å; L391-R394 WeakPolarHBondContact O-CB 3.33Å; L391-R394 PolarHBondContact O-N 2.88Å; L391-R394 PolarHBondContact O-NE 3Å; E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 3.44Å; R394-E396 WeakPolarHBondContact CA-OE2 3.44Å; R394-E396 WeakPolarHBondContact CB-OE2 3.49Å; R394-E399 HydrophobicContact CB-CB 4.29Å; R394-E399 HydrophobicContact CB-CG 4.03Å; R394-E399 IonicContact CZ-OE2 2.77Å; R394-E399 IonicContact NE-OE2 2.84Å; R394-E399 PolarHBondContact NE-OE2 3.46Å; R394-E399 IonicContact NH1-OE2 2.9Å; R394-E399 PolarHBondContact NH1-OE2 3.31Å; R394-E399 IonicContact NH2-OE2 2.79Å
395I96.6Very high97.4Very high23 Ų2345.1 Ų45.112%0.11821%0.21CC..  trans-107.160.8176.5-49.3178.6000108.6E281 E284 I285 L368 F370 G393 I400E281-I395 HydrophobicContact CB-CG2 4.15Å; E281-I395 HydrophobicContact CG-CD1 4.06Å; E281-I395 HydrophobicContact CG-CG2 4.26Å; E284-I395 HydrophobicContact CB-CG2 4.36Å; E284-I395 WeakPolarHBondContact CB-O 3.46Å; E284-I395 WeakPolarHBondContact CG-O 3.49Å; I285-I395 HydrophobicContact CD1-CG2 4.31Å; I285-I395 HydrophobicContact CG1-CG2 3.96Å; L368-I395 HydrophobicContact CD1-CD1 4.07Å; L368-I395 HydrophobicContact CD1-CG1 3.63Å; L368-I395 HydrophobicContact CD2-CD1 4.09Å; L368-I395 HydrophobicContact CD2-CG1 4.04Å; L368-I395 HydrophobicContact CG-CD1 4.43Å; L368-I395 HydrophobicContact CG-CG1 4.37Å; F370-I395 HydrophobicContact CE1-CD1 3.98Å; F370-I395 HydrophobicContact CZ-CD1 4.04Å; G393-I395 PolarHBondContact O-N 3.16Å; I395-I400 HydrophobicContact CG2-CD1 4.21Å
396E98.1Very high97.5Very high90 Ų9046.4 Ų46.442%0.42122%0.215SC..  trans-112.9143.4172.9-57.584.1175.100109.5R394 D398 E399 I400R394-E396 WeakPolarHBondContact CA-OE2 3.44Å; R394-E396 WeakPolarHBondContact CB-OE2 3.49Å; E396-D398 PolarHBondContact O-N 2.9Å; E396-D398 VanDerWaalsContact O-N 3.17Å; E396-E399 HydrophobicContact CB-CB 4.44Å; E396-E399 HydrophobicContact CB-CG 4.05Å; E396-E399 WeakPolarHBondContact O-CB 3.34Å; E396-E399 PolarHBondContact O-N 3.28Å; E396-I400 WeakPolarHBondContact O-CG1 3.49Å; E396-I400 PolarHBondContact O-N 3.45Å
397R98.3Very high97.5Very high79 Ų7942 Ų4230%0.29819%0.193SC..Hα-helixtrans-52.2-40.6-178.267.1-167.767.9-172.23.3113.4E284 W287 G288 E399 I400 E401E284-R397 WeakPolarHBondContact O-CA 3.42Å; E284-R397 IonicContact OE1-CZ 3.85Å; E284-R397 IonicContact OE1-NE 3.21Å; E284-R397 PolarHBondContact OE1-NE 2.85Å; E284-R397 IonicContact OE1-NH2 3.91Å; E284-R397 PolarHBondContact OE1-NH2 3.45Å; E284-R397 VanDerWaalsContact OE2-CB 3.3Å; E284-R397 WeakPolarHBondContact OE2-CB 3.47Å; E284-R397 WeakPolarHBondContact OE2-CG 3.21Å; E284-R397 IonicContact OE2-CZ 3.51Å; E284-R397 PolarHBondContact OE2-N 3.18Å; E284-R397 IonicContact OE2-NE 2.86Å; E284-R397 PolarHBondContact OE2-NE 3.16Å; E284-R397 IonicContact OE2-NH2 3.31Å; W287-R397 HydrophobicContact CB-CB 3.55Å; W287-R397 HydrophobicContact CB-CG 4.34Å; G288-R397 VanDerWaalsContact CA-O 3.24Å; G288-R397 WeakPolarHBondContact CA-O 3.49Å; R397-E399 VanDerWaalsContact C-N 3.33Å; R397-E399 PolarHBondContact O-N 3.49Å; R397-I400 PolarHBondContact O-N 2.85Å; R397-E401 WeakPolarHBondContact O-CB 3.49Å; R397-E401 PolarHBondContact O-N 3.39Å
398D98.5Very high97.5Very high99 Ų9942.7 Ų42.753%0.52920%0.196SC..Hα-helixtrans-71.2-32.1-177.7-62.5-15.4000111.4E396 R402E396-D398 PolarHBondContact O-N 2.9Å; E396-D398 VanDerWaalsContact O-N 3.17Å; D398-R402 WeakPolarHBondContact O-CB 3.37Å; D398-R402 PolarHBondContact O-N 3.33Å
399E98.4Very high97.4Very high31 Ų3146.8 Ų46.815%0.14522%0.216CC..Hα-helixtrans-72.5-43.1177.2-63.9-69.2128.800110.6R394 E396 R397 R402 A403R394-E399 HydrophobicContact CB-CB 4.29Å; R394-E399 HydrophobicContact CB-CG 4.03Å; R394-E399 IonicContact CZ-OE2 2.77Å; R394-E399 IonicContact NE-OE2 2.84Å; R394-E399 PolarHBondContact NE-OE2 3.46Å; R394-E399 IonicContact NH1-OE2 2.9Å; R394-E399 PolarHBondContact NH1-OE2 3.31Å; R394-E399 IonicContact NH2-OE2 2.79Å; E396-E399 HydrophobicContact CB-CB 4.44Å; E396-E399 HydrophobicContact CB-CG 4.05Å; E396-E399 WeakPolarHBondContact O-CB 3.34Å; E396-E399 PolarHBondContact O-N 3.28Å; R397-E399 VanDerWaalsContact C-N 3.33Å; R397-E399 PolarHBondContact O-N 3.49Å; E399-R402 IonicContact OE1-CZ 3.76Å; E399-R402 IonicContact OE1-NH1 2.93Å; E399-R402 PolarHBondContact OE1-NH1 2.64Å; E399-R402 IonicContact OE1-NH2 3.73Å; E399-R402 PolarHBondContact OE1-NH2 2.84Å; E399-R402 IonicContact OE2-CZ 3.48Å; E399-R402 IonicContact OE2-NH1 2.66Å; E399-R402 IonicContact OE2-NH2 2.7Å; E399-R402 PolarHBondContact OE2-NH2 2.76Å; E399-A403 VanDerWaalsContact O-CB 3.31Å; E399-A403 WeakPolarHBondContact O-CB 3.44Å; E399-A403 PolarHBondContact O-N 2.7Å
400I98.7Very high97.4Very high0 Ų050.3 Ų50.30%023%0.232CC..Hα-helixtrans-66.3-49176.9-66172.1000110.4I285 L347 L391 I395 E396 R397 R402 A403 I404I285-I400 HydrophobicContact CB-CD1 4.19Å; I285-I400 HydrophobicContact CG1-CD1 3.66Å; L347-I400 HydrophobicContact CD1-CG2 4.2Å; L391-I400 HydrophobicContact CD1-CG1 4.26Å; I395-I400 HydrophobicContact CG2-CD1 4.21Å; E396-I400 WeakPolarHBondContact O-CG1 3.49Å; E396-I400 PolarHBondContact O-N 3.45Å; R397-I400 PolarHBondContact O-N 2.85Å; I400-R402 VanDerWaalsContact C-N 3.34Å; I400-R402 PolarHBondContact O-N 3Å; I400-A403 PolarHBondContact O-N 2.93Å; I400-I404 HydrophobicContact CG2-CD1 3.78Å; I400-I404 VanDerWaalsContact O-CG1 3.26Å; I400-I404 WeakPolarHBondContact O-CG1 3.22Å; I400-I404 PolarHBondContact O-N 3.42Å
401E98.6Very high97.3Very high48 Ų4854.7 Ų54.722%0.22426%0.261CS..Hα-helixtrans-52.7-54.2174.6174.7-176.116300110.5N291 R397 A403 I404 R405N291-E401 HydrophobicContact CB-CB 4.38Å; N291-E401 HydrophobicContact CB-CG 4.13Å; N291-E401 WeakPolarHBondContact CB-OE2 3.46Å; R397-E401 WeakPolarHBondContact O-CB 3.49Å; R397-E401 PolarHBondContact O-N 3.39Å; E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.05Å; E401-I404 PolarHBondContact O-N 3.34Å; E401-R405 WeakPolarHBondContact O-CG 3.35Å; E401-R405 PolarHBondContact O-N 3.17Å
402R98.5Very high97.3Very high98 Ų9858.2 Ų58.237%0.3728%0.277SS..Hα-helixtrans-62.6-41-177.2-172.1173.370.2-113.67.5112D398 E399 I400 R405 R406D398-R402 WeakPolarHBondContact O-CB 3.37Å; D398-R402 PolarHBondContact O-N 3.33Å; E399-R402 IonicContact OE1-CZ 3.76Å; E399-R402 IonicContact OE1-NH1 2.93Å; E399-R402 PolarHBondContact OE1-NH1 2.64Å; E399-R402 IonicContact OE1-NH2 3.73Å; E399-R402 PolarHBondContact OE1-NH2 2.84Å; E399-R402 IonicContact OE2-CZ 3.48Å; E399-R402 IonicContact OE2-NH1 2.66Å; E399-R402 IonicContact OE2-NH2 2.7Å; E399-R402 PolarHBondContact OE2-NH2 2.76Å; I400-R402 VanDerWaalsContact C-N 3.34Å; I400-R402 PolarHBondContact O-N 3Å; R402-R405 PolarHBondContact O-N 3.49Å; R402-R406 HydrophobicContact CG-CG 4.33Å; R402-R406 VanDerWaalsContact O-CB 3.27Å; R402-R406 WeakPolarHBondContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CG 3.42Å; R402-R406 PolarHBondContact O-N 3.09Å
403A98.6Very high97.5Very high2 Ų255.1 Ų55.12%0.01726%0.263CS..Hα-helixtrans-65-39.8177.400000112.4I366 I389 L391 E399 I400 E401 L407I366-A403 HydrophobicContact CD1-CB 3.95Å; I366-A403 HydrophobicContact CG1-CB 4.44Å; I366-A403 HydrophobicContact CG2-CB 3.96Å; I389-A403 HydrophobicContact CG2-CB 4.4Å; L391-A403 HydrophobicContact CD2-CB 3.62Å; E399-A403 VanDerWaalsContact O-CB 3.31Å; E399-A403 WeakPolarHBondContact O-CB 3.44Å; E399-A403 PolarHBondContact O-N 2.7Å; I400-A403 PolarHBondContact O-N 2.93Å; E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.05Å; A403-L407 VanDerWaalsContact O-CB 3.31Å; A403-L407 WeakPolarHBondContact O-CB 3.46Å; A403-L407 PolarHBondContact O-N 2.82Å
404I98.7Very high98Very high0 Ų058.1 Ų58.10%027%0.267CS..Hα-helixtrans-63.3-48.7175.9-67.4165.2000110.4I267 L289 Q294 I366 I400 E401 L407 L408I267-I404 HydrophobicContact CB-CG2 4.47Å; I267-I404 HydrophobicContact CG1-CG1 4.24Å; I267-I404 HydrophobicContact CG2-CD1 4.28Å; I267-I404 HydrophobicContact CG2-CG2 4.35Å; L289-I404 HydrophobicContact CD2-CD1 3.72Å; Q294-I404 HydrophobicContact CB-CG2 4.1Å; Q294-I404 HydrophobicContact CG-CG2 3.91Å; I366-I404 HydrophobicContact CD1-CB 4.39Å; I366-I404 HydrophobicContact CD1-CG1 3.73Å; I400-I404 HydrophobicContact CG2-CD1 3.78Å; I400-I404 VanDerWaalsContact O-CG1 3.26Å; I400-I404 WeakPolarHBondContact O-CG1 3.22Å; I400-I404 PolarHBondContact O-N 3.42Å; E401-I404 PolarHBondContact O-N 3.34Å; I404-L407 PolarHBondContact O-N 3.46Å; I404-L408 HydrophobicContact CG2-CD1 3.92Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 WeakPolarHBondContact O-CG 3.45Å; I404-L408 PolarHBondContact O-N 2.96Å
405R98.6Very high98.2Very high110 Ų11054.9 Ų54.942%0.41526%0.262SS..Hα-helixtrans-64.4-43.8-179.7-63.9-178.899.8-129.92111.6E401 R402 L407 L408 L409 E410E401-R405 WeakPolarHBondContact O-CG 3.35Å; E401-R405 PolarHBondContact O-N 3.17Å; R402-R405 PolarHBondContact O-N 3.49Å; R405-L407 PolarHBondContact O-N 3.03Å; R405-L408 PolarHBondContact O-N 3.22Å; R405-L409 HydrophobicContact CB-CD1 4.41Å; R405-L409 HydrophobicContact CG-CD1 4.39Å; R405-L409 WeakPolarHBondContact O-CA 3.49Å; R405-L409 WeakPolarHBondContact O-CB 3.33Å; R405-L409 PolarHBondContact O-N 3.31Å; R405-E410 PolarHBondContact O-N 3.21Å
406R98.2Very high98.3Very high61 Ų6153.9 Ų53.923%0.2326%0.257CS..Hα-helixtrans-56.8-47173.5-77.7172.165.1-158.13.6112.7I389 R402 E410 E412 G413I389-R406 HydrophobicContact CD1-CB 3.82Å; R402-R406 HydrophobicContact CG-CG 4.33Å; R402-R406 VanDerWaalsContact O-CB 3.27Å; R402-R406 WeakPolarHBondContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CG 3.42Å; R402-R406 PolarHBondContact O-N 3.09Å; R406-E410 WeakPolarHBondContact CG-OE1 3.36Å; R406-E410 WeakPolarHBondContact CG-OE2 3.32Å; R406-E412 IonicContact CZ-OE1 3.26Å; R406-E412 IonicContact CZ-OE2 3.84Å; R406-E412 IonicContact NE-OE2 3.79Å; R406-E412 PolarHBondContact NE-OE2 3.36Å; R406-E412 IonicContact NH2-OE1 3.96Å; R406-E412 PolarHBondContact NH2-OE1 3.38Å; R406-E412 IonicContact NH2-OE2 3.2Å; R406-E412 PolarHBondContact NH2-OE2 2.77Å; R406-G413 WeakPolarHBondContact O-CA 3.15Å; R406-G413 PolarHBondContact O-N 2.86Å
407L98.6Very high98.3Very high0 Ų052.7 Ų52.70%025%0.248CC..Hα-helixtrans-70.2-37.7-176.6-171.766.5000112.7P364 I366 I389 A403 I404 R405 G413 I416 R417P364-L407 HydrophobicContact CB-CD1 3.74Å; P364-L407 HydrophobicContact CB-CD2 4.34Å; P364-L407 HydrophobicContact CB-CG 4.39Å; P364-L407 HydrophobicContact CG-CD1 4.03Å; P364-L407 HydrophobicContact CG-CD2 4.17Å; P364-L407 HydrophobicContact CG-CG 4.19Å; I366-L407 HydrophobicContact CD1-CB 4.5Å; I366-L407 HydrophobicContact CD1-CD2 4.18Å; I366-L407 HydrophobicContact CG1-CB 4.47Å; I366-L407 HydrophobicContact CG1-CD2 3.67Å; I389-L407 HydrophobicContact CD1-CB 4.03Å; I389-L407 HydrophobicContact CD1-CD1 4.35Å; I389-L407 HydrophobicContact CG1-CD1 4.5Å; A403-L407 VanDerWaalsContact O-CB 3.31Å; A403-L407 WeakPolarHBondContact O-CB 3.46Å; A403-L407 PolarHBondContact O-N 2.82Å; I404-L407 PolarHBondContact O-N 3.46Å; R405-L407 PolarHBondContact O-N 3.03Å; L407-G413 WeakPolarHBondContact O-CA 3.42Å; L407-I416 HydrophobicContact CD1-CB 4.33Å; L407-I416 HydrophobicContact CD1-CD1 4.02Å; L407-I416 HydrophobicContact CD1-CG2 3.76Å; L407-R417 PolarHBondContact O-NH1 3.46Å
408L98.3Very high98.3Very high15 Ų1555.4 Ų55.48%0.07926%0.264CS..Hα-helixtrans-93.1-41.1-173.5-64.3-178.8000112.9I267 Q294 I404 R405 R417I267-L408 HydrophobicContact CB-CD1 4.43Å; Q294-L408 HydrophobicContact CB-CD1 4.12Å; Q294-L408 HydrophobicContact CG-CD1 3.94Å; I404-L408 HydrophobicContact CG2-CD1 3.92Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 WeakPolarHBondContact O-CG 3.45Å; I404-L408 PolarHBondContact O-N 2.96Å; R405-L408 PolarHBondContact O-N 3.22Å; L408-R417 PolarHBondContact O-NH1 2.82Å
409L97.8Very high98.3Very high94 Ų9454.6 Ų54.649%0.49225%0.254SS..Hα-helixtrans-111.5-15.8-164-51.7178.7000114.9R405R405-L409 HydrophobicContact CB-CD1 4.41Å; R405-L409 HydrophobicContact CG-CD1 4.39Å; R405-L409 WeakPolarHBondContact O-CA 3.49Å; R405-L409 WeakPolarHBondContact O-CB 3.33Å; R405-L409 PolarHBondContact O-N 3.31Å
410E98.1Very high98.3Very high83 Ų8353.1 Ų53.139%0.38825%0.247SC..SBendtrans-103.9162.1-174.6-59.7179.3-154.400112.7R405 R406 E412 G413 E414R405-E410 PolarHBondContact O-N 3.21Å; R406-E410 WeakPolarHBondContact CG-OE1 3.36Å; R406-E410 WeakPolarHBondContact CG-OE2 3.32Å; E410-E412 VanDerWaalsContact C-N 3.26Å; E410-E412 PolarHBondContact O-N 3.21Å; E410-G413 WeakPolarHBondContact O-CA 3.31Å; E410-G413 PolarHBondContact O-N 2.99Å; E410-E414 PolarHBondContact O-N 2.96Å
411T97.1Very high98.3Very high111 Ų11156.7 Ų56.768%0.68126%0.264SS*.Hα-helixtrans-63.5-29.5-179.153.40000113G413 E414 A415T411-G413 VanDerWaalsContact C-N 3.3Å; T411-G413 PolarHBondContact O-N 3.13Å; T411-E414 WeakPolarHBondContact O-CB 3.37Å; T411-E414 PolarHBondContact O-N 3.09Å; T411-A415 PolarHBondContact O-N 3.05Å; T411-A415 VanDerWaalsContact O-N 3.15Å
412E97.4Very high98.3Very high77 Ų7759.3 Ų59.336%0.3628%0.279SS..Hα-helixtrans-60.2-43.5170.9-174.8-175.5-172.400110.9R406 E410 E414 A415 I416R406-E412 IonicContact CZ-OE1 3.26Å; R406-E412 IonicContact CZ-OE2 3.84Å; R406-E412 IonicContact NE-OE2 3.79Å; R406-E412 PolarHBondContact NE-OE2 3.36Å; R406-E412 IonicContact NH2-OE1 3.96Å; R406-E412 PolarHBondContact NH2-OE1 3.38Å; R406-E412 IonicContact NH2-OE2 3.2Å; R406-E412 PolarHBondContact NH2-OE2 2.77Å; E410-E412 VanDerWaalsContact C-N 3.26Å; E410-E412 PolarHBondContact O-N 3.21Å; E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.93Å; E412-A415 PolarHBondContact O-N 3.33Å; E412-I416 HydrophobicContact CG-CD1 4.18Å; E412-I416 WeakPolarHBondContact O-CG1 3.45Å; E412-I416 PolarHBondContact O-N 2.93Å
413G98.3Very high98.3Very high0 Ų055.3 Ų55.30%027%0.265CS..Hα-helixtrans-61.7-38.1175.300000113.1R406 L407 E410 T411 I416 R417R406-G413 WeakPolarHBondContact O-CA 3.15Å; R406-G413 PolarHBondContact O-N 2.86Å; L407-G413 WeakPolarHBondContact O-CA 3.42Å; E410-G413 WeakPolarHBondContact O-CA 3.31Å; E410-G413 PolarHBondContact O-N 2.99Å; T411-G413 VanDerWaalsContact C-N 3.3Å; T411-G413 PolarHBondContact O-N 3.13Å; G413-I416 PolarHBondContact O-N 2.66Å; G413-R417 WeakPolarHBondContact O-CG 3.41Å; G413-R417 PolarHBondContact O-N 2.99Å
414E98Very high98.2Very high99 Ų9958.3 Ų58.346%0.46328%0.277SS..Hα-helixtrans-59.1-50.4172.8-68.2172.3170.200111.6E410 T411 E412 I416 R417 E418E410-E414 PolarHBondContact O-N 2.96Å; T411-E414 WeakPolarHBondContact O-CB 3.37Å; T411-E414 PolarHBondContact O-N 3.09Å; E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.93Å; E414-I416 VanDerWaalsContact C-N 3.3Å; E414-I416 PolarHBondContact O-N 2.98Å; E414-R417 WeakPolarHBondContact O-CB 3.48Å; E414-R417 PolarHBondContact O-N 3.43Å; E414-R417 VanDerWaalsContact O-N 3.09Å; E414-E418 PolarHBondContact O-N 2.99Å
415A98.5Very high98.1Very high32 Ų3263.7 Ų63.726%0.26430%0.303SS..Hα-helixtrans-63.8-35.7179.100000112.3T411 E412 R419T411-A415 PolarHBondContact O-N 3.05Å; T411-A415 VanDerWaalsContact O-N 3.15Å; E412-A415 PolarHBondContact O-N 3.33Å; A415-R419 WeakPolarHBondContact O-CG 3.31Å; A415-R419 PolarHBondContact O-N 2.83Å; A415-R419 VanDerWaalsContact O-N 3.13Å; A415-R419 PolarHBondContact O-NH1 3.38Å
416I98.7Very high98Very high3 Ų363.7 Ų63.72%0.01531%0.306CS..Hα-helixtrans-62.7-44.8172.7-72.5170.6000110.7P364 I389 L407 E412 G413 E414 R419 I420P364-I416 HydrophobicContact CB-CG2 3.48Å; P364-I416 VanDerWaalsContact CB-CG2 3.48Å; I389-I416 HydrophobicContact CD1-CD1 4.22Å; I389-I416 HydrophobicContact CG1-CD1 3.72Å; L407-I416 HydrophobicContact CD1-CB 4.33Å; L407-I416 HydrophobicContact CD1-CD1 4.02Å; L407-I416 HydrophobicContact CD1-CG2 3.76Å; E412-I416 HydrophobicContact CG-CD1 4.18Å; E412-I416 WeakPolarHBondContact O-CG1 3.45Å; E412-I416 PolarHBondContact O-N 2.93Å; G413-I416 PolarHBondContact O-N 2.66Å; E414-I416 VanDerWaalsContact C-N 3.3Å; E414-I416 PolarHBondContact O-N 2.98Å; I416-R419 VanDerWaalsContact CG1-NH2 3.28Å; I416-R419 PolarHBondContact O-N 3.32Å; I416-I420 PolarHBondContact O-N 3.06Å
417R98.3Very high97.9Very high64 Ų6460.9 Ų60.924%0.24230%0.295CS..Hα-helixtrans-63.9-39.5178.5-74.6-177.1-58.3-109.814.3112.2P364 L407 L408 G413 E414 I420 Q421P364-R417 HydrophobicContact CG-CG 3.88Å; L407-R417 PolarHBondContact O-NH1 3.46Å; L408-R417 PolarHBondContact O-NH1 2.82Å; G413-R417 WeakPolarHBondContact O-CG 3.41Å; G413-R417 PolarHBondContact O-N 2.99Å; E414-R417 WeakPolarHBondContact O-CB 3.48Å; E414-R417 PolarHBondContact O-N 3.43Å; E414-R417 VanDerWaalsContact O-N 3.09Å; R417-I420 WeakPolarHBondContact O-CG2 3.36Å; R417-Q421 WeakPolarHBondContact O-CG 3.25Å; R417-Q421 PolarHBondContact O-N 3.33Å
418E98.4Very high97.7Very high137 Ų13762.1 Ų62.164%0.6431%0.308SS*.Hα-helixtrans-62.6-48.3174.7-71.1179.5174.400111.8E414 I420 Q421 L422E414-E418 PolarHBondContact O-N 2.99Å; E418-I420 VanDerWaalsContact C-N 3.32Å; E418-I420 PolarHBondContact O-N 3.14Å; E418-Q421 PolarHBondContact O-N 3.46Å; E418-L422 PolarHBondContact O-N 2.99Å
419R98.7Very high97.5Very high81 Ų8168.7 Ų68.731%0.30633%0.332SS..Hα-helixtrans-61.1-39.7179.8-74.3-173.3-64.3-93.14.9112.5M386 V387 A415 I416 L422 L423M386-R419 VanDerWaalsContact O-CZ 3.3Å; M386-R419 PolarHBondContact O-NE 3.11Å; M386-R419 PolarHBondContact O-NH2 3.44Å; V387-R419 HydrophobicContact CG1-CB 4.05Å; A415-R419 WeakPolarHBondContact O-CG 3.31Å; A415-R419 PolarHBondContact O-N 2.83Å; A415-R419 VanDerWaalsContact O-N 3.13Å; A415-R419 PolarHBondContact O-NH1 3.38Å; I416-R419 VanDerWaalsContact CG1-NH2 3.28Å; I416-R419 PolarHBondContact O-N 3.32Å; R419-L422 PolarHBondContact O-N 3.32Å; R419-L423 PolarHBondContact O-N 3.38Å
420I98.6Very high97.4Very high0 Ų064.2 Ų64.20%031%0.308CS..Hα-helixtrans-71.6-29.4179.6-155175000112.8G362 V363 P364 M365 V387 I416 R417 E418 L423 K424G362-I420 WeakPolarHBondContact O-CG2 3.46Å; V363-I420 WeakPolarHBondContact O-CD1 3.17Å; P364-I420 HydrophobicContact CB-CG2 4.48Å; M365-I420 HydrophobicContact CE-CD1 4.41Å; V387-I420 HydrophobicContact CB-CB 3.84Å; V387-I420 HydrophobicContact CB-CD1 4.1Å; V387-I420 HydrophobicContact CB-CG1 3.89Å; V387-I420 HydrophobicContact CG1-CB 3.76Å; V387-I420 HydrophobicContact CG1-CG1 4Å; V387-I420 HydrophobicContact CG2-CD1 4.35Å; V387-I420 HydrophobicContact CG2-CG1 4.38Å; I416-I420 PolarHBondContact O-N 3.06Å; R417-I420 WeakPolarHBondContact O-CG2 3.36Å; E418-I420 VanDerWaalsContact C-N 3.32Å; E418-I420 PolarHBondContact O-N 3.14Å; I420-L423 PolarHBondContact O-N 2.97Å; I420-K424 WeakPolarHBondContact O-CB 3.28Å; I420-K424 PolarHBondContact O-N 2.93Å
421Q98.3Very high97.2Very high75 Ų7561.4 Ų61.435%0.3530%0.296SS..Hα-helixtrans-64-43.1170.8-66-47-47.700111.4G362 R417 E418 L423 K424 E425G362-Q421 PolarHBondContact O-NE2 3.4Å; R417-Q421 WeakPolarHBondContact O-CG 3.25Å; R417-Q421 PolarHBondContact O-N 3.33Å; E418-Q421 PolarHBondContact O-N 3.46Å; Q421-L423 VanDerWaalsContact C-N 3.31Å; Q421-L423 PolarHBondContact O-N 3.23Å; Q421-K424 WeakPolarHBondContact O-CB 3.43Å; Q421-K424 PolarHBondContact O-N 2.82Å; Q421-E425 WeakPolarHBondContact O-CG 3.21Å; Q421-E425 PolarHBondContact O-N 2.83Å
422L98.4Very high96.9Very high103 Ų10362.9 Ų62.954%0.53929%0.294SS..Hα-helixtrans-62.5-38.9175.2-64.9174000112E418 R419 E425 K426E418-L422 PolarHBondContact O-N 2.99Å; R419-L422 PolarHBondContact O-N 3.32Å; L422-E425 PolarHBondContact O-N 3.44Å; L422-K426 WeakPolarHBondContact O-CG 3.12Å; L422-K426 PolarHBondContact O-N 2.85Å; L422-K426 VanDerWaalsContact O-N 3.11Å
423L98.2Very high96.6Very high15 Ų1566.2 Ų66.28%0.07931%0.309CS..Hα-helixtrans-67.4-43.6176.2-172.162.2000111.7L214 V359 W385 V387 R419 I420 Q421 E425 K426 V427L214-L423 HydrophobicContact CD2-CD1 4.02Å; L214-L423 HydrophobicContact CD2-CD2 4.33Å; L214-L423 HydrophobicContact CD2-CG 4.38Å; V359-L423 HydrophobicContact CG1-CB 4.49Å; V359-L423 HydrophobicContact CG1-CD2 3.76Å; V359-L423 HydrophobicContact CG1-CG 3.69Å; V359-L423 HydrophobicContact CG2-CD2 3.93Å; W385-L423 HydrophobicContact CB-CD2 4.07Å; W385-L423 HydrophobicContact CD2-CD2 3.94Å; W385-L423 HydrophobicContact CE3-CD2 4.01Å; W385-L423 HydrophobicContact CG-CD2 3.97Å; V387-L423 HydrophobicContact CG1-CD2 4.13Å; V387-L423 HydrophobicContact CG2-CD2 4.24Å; R419-L423 PolarHBondContact O-N 3.38Å; I420-L423 PolarHBondContact O-N 2.97Å; Q421-L423 VanDerWaalsContact C-N 3.31Å; Q421-L423 PolarHBondContact O-N 3.23Å; L423-E425 VanDerWaalsContact C-N 3.29Å; L423-E425 PolarHBondContact O-N 3.01Å; L423-K426 PolarHBondContact O-N 3.5Å; L423-K426 VanDerWaalsContact O-N 3.16Å; L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 3.44Å
424K97.2Very high96.2Very high64 Ų6472 Ų7228%0.27834%0.34SS..Hα-helixtrans-53-46.5172.9174.7178.6-175.61620111.2V359 C360 E361 I420 Q421 G428V359-K424 WeakPolarHBondContact O-CA 3.45Å; V359-K424 VanDerWaalsContact O-CB 3.3Å; V359-K424 WeakPolarHBondContact O-CB 3.46Å; C360-K424 WeakPolarHBondContact O-CD 3.39Å; C360-K424 WeakPolarHBondContact O-CE 3.08Å; C360-K424 WeakPolarHBondContact O-CG 3.42Å; E361-K424 PolarHBondContact O-NZ 3.5Å; E361-K424 IonicContact OE2-NZ 3.95Å; I420-K424 WeakPolarHBondContact O-CB 3.28Å; I420-K424 PolarHBondContact O-N 2.93Å; Q421-K424 WeakPolarHBondContact O-CB 3.43Å; Q421-K424 PolarHBondContact O-N 2.82Å; K424-G428 WeakPolarHBondContact O-CA 3.43Å; K424-G428 PolarHBondContact O-N 2.87Å
425E96.9Very high96.1Very high114 Ų11467.8 Ų67.853%0.53332%0.323SS..Hα-helixtrans-65.4-40178.4-72.1177.5-177.700112.9Q421 L422 L423 G428 R429Q421-E425 WeakPolarHBondContact O-CG 3.21Å; Q421-E425 PolarHBondContact O-N 2.83Å; L422-E425 PolarHBondContact O-N 3.44Å; L423-E425 VanDerWaalsContact C-N 3.29Å; L423-E425 PolarHBondContact O-N 3.01Å; E425-G428 PolarHBondContact O-N 2.76Å; E425-R429 WeakPolarHBondContact O-CG 3.47Å; E425-R429 PolarHBondContact O-N 3.43Å
426K96.5Very high95.9Very high110 Ų11067.3 Ų67.348%0.47832%0.318SS..Hα-helixtrans-62.2-50.9175.9-73.7174.3-179.1-179.30111.2E213 L422 L423 G428 R429 S430E213-K426 HydrophobicContact CB-CB 4.49Å; E213-K426 HydrophobicContact CG-CB 4.47Å; L422-K426 WeakPolarHBondContact O-CG 3.12Å; L422-K426 PolarHBondContact O-N 2.85Å; L422-K426 VanDerWaalsContact O-N 3.11Å; L423-K426 PolarHBondContact O-N 3.5Å; L423-K426 VanDerWaalsContact O-N 3.16Å; K426-G428 VanDerWaalsContact C-N 3.35Å; K426-G428 PolarHBondContact O-N 3.43Å; K426-R429 PolarHBondContact O-N 2.85Å; K426-S430 PolarHBondContact O-N 2.76Å
427V95.8Very high95.8Very high1 Ų167.1 Ų67.11%0.00632%0.317CS..Hα-helixtrans-63.8-41.3176.7177.50000111L214 P235 V359 L423 R429 S430L214-V427 HydrophobicContact CD1-CG2 4.07Å; L214-V427 HydrophobicContact CD2-CG2 3.74Å; L214-V427 HydrophobicContact CG-CG2 3.85Å; P235-V427 HydrophobicContact CG-CG1 3.66Å; V359-V427 HydrophobicContact CG1-CB 4.49Å; V359-V427 HydrophobicContact CG1-CG2 3.88Å; L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 3.44Å; V427-R429 VanDerWaalsContact C-N 3.25Å; V427-R429 PolarHBondContact O-N 3.39Å; V427-S430 PolarHBondContact O-N 3.02Å; V427-S430 VanDerWaalsContact O-N 3.08Å; V427-S430 PolarHBondContact O-OG 3.48Å
428G94.2Very high95.6Very high26 Ų2667.6 Ų67.627%0.26832%0.319SS..Hα-helixtrans-62.9-29177.300000113.6K424 E425 K426 K432K424-G428 WeakPolarHBondContact O-CA 3.43Å; K424-G428 PolarHBondContact O-N 2.87Å; E425-G428 PolarHBondContact O-N 2.76Å; K426-G428 VanDerWaalsContact C-N 3.35Å; K426-G428 PolarHBondContact O-N 3.43Å; G428-K432 WeakPolarHBondContact O-CD 3.44Å; G428-K432 VanDerWaalsContact O-CG 3.28Å; G428-K432 WeakPolarHBondContact O-CG 3.17Å
429R94.9Very high95.4Very high154 Ų15465.9 Ų65.958%0.58131%0.312SS*.Hα-helixtrans-74.7-32.9172.5-77.5-175.5-68.5-168.6-2.4112.7E425 K426 V427 V431 K432 G435E425-R429 WeakPolarHBondContact O-CG 3.47Å; E425-R429 PolarHBondContact O-N 3.43Å; K426-R429 PolarHBondContact O-N 2.85Å; V427-R429 VanDerWaalsContact C-N 3.25Å; V427-R429 PolarHBondContact O-N 3.39Å; R429-V431 VanDerWaalsContact C-N 3.31Å; R429-V431 PolarHBondContact O-N 3.25Å; R429-K432 PolarHBondContact O-N 3.17Å; R429-G435 WeakPolarHBondContact O-CA 3.43Å
430S94.9Very high95.3Very high0 Ų062.8 Ų62.80%030%0.302CS..Hα-helixtrans-65.7-34.5-176.982.40000113.1E213 K426 V427 G435 S436 A437 Y438E213-S430 VanDerWaalsContact OE1-CB 3.24Å; E213-S430 WeakPolarHBondContact OE1-CB 3.3Å; E213-S430 WeakPolarHBondContact OE2-CB 3.43Å; E213-S430 PolarHBondContact OE2-OG 3.08Å; K426-S430 PolarHBondContact O-N 2.76Å; V427-S430 PolarHBondContact O-N 3.02Å; V427-S430 VanDerWaalsContact O-N 3.08Å; V427-S430 PolarHBondContact O-OG 3.48Å; S430-G435 CarbonylContact O-C 3.56Å; S430-G435 VanDerWaalsContact O-CA 3.26Å; S430-G435 WeakPolarHBondContact O-CA 3.06Å; S430-S436 WeakPolarHBondContact CB-OG 3.03Å; S430-S436 PolarHBondContact O-N 2.86Å; S430-A437 WeakPolarHBondContact O-CB 3.25Å; S430-A437 PolarHBondContact O-N 2.84Å; S430-A437 VanDerWaalsContact O-N 3.1Å; S430-Y438 PolarHBondContact O-N 2.86Å
431V93Very high95.2Very high23 Ų2363.5 Ų63.514%0.13931%0.306CS..THydrogen-bonded Turntrans-86.6-12.2-180-60.60000113.9P235 R429 A437P235-V431 HydrophobicContact CG-CG1 4.39Å; R429-V431 VanDerWaalsContact C-N 3.31Å; R429-V431 PolarHBondContact O-N 3.25Å; V431-A437 HydrophobicContact CG1-CB 4.21Å
432K92.3Very high95Very high143 Ų14362.2 Ų62.262%0.62230%0.3SS*.SBendtrans-78.1165.6175.6-76.9174.7-175.6-178.40111.2G428 R429 N434 G435 Y438G428-K432 WeakPolarHBondContact O-CD 3.44Å; G428-K432 VanDerWaalsContact O-CG 3.28Å; G428-K432 WeakPolarHBondContact O-CG 3.17Å; R429-K432 PolarHBondContact O-N 3.17Å; K432-N434 PolarHBondContact O-N 2.8Å; K432-G435 WeakPolarHBondContact O-CA 3.26Å; K432-G435 PolarHBondContact O-N 3.02Å; K432-Y438 WeakPolarHBondContact O-CB 3.34Å
433Q90.9Very high95Very high147 Ų14761.8 Ų61.869%0.68730%0.298SS*.THydrogen-bonded Turntrans-50.5133.7176-173.2175.53.600110.9G435 Y438Q433-G435 PolarHBondContact O-N 3.02Å; Q433-Y438 HydrophobicContact CG-CE1 4.35Å
434N90.5Very high95Very high120 Ų12061 Ų6164%0.64229%0.294SS*.THydrogen-bonded Turntrans69.8-2.9-173.7-50.4-34.6000116.2K432 Q439K432-N434 PolarHBondContact O-N 2.8Å; N434-Q439 PolarHBondContact O-NE2 3.36Å
435G95Very high94.9Very high12 Ų1258.6 Ų58.612%0.12428%0.284CS..SBendtrans-69.9159171.500000113.1R429 S430 K432 Q433 A437 Y438 Q439R429-G435 WeakPolarHBondContact O-CA 3.43Å; S430-G435 CarbonylContact O-C 3.56Å; S430-G435 VanDerWaalsContact O-CA 3.26Å; S430-G435 WeakPolarHBondContact O-CA 3.06Å; K432-G435 WeakPolarHBondContact O-CA 3.26Å; K432-G435 PolarHBondContact O-N 3.02Å; Q433-G435 PolarHBondContact O-N 3.02Å; G435-A437 PolarHBondContact O-N 3.33Å; G435-Y438 PolarHBondContact O-N 2.94Å; G435-Q439 WeakPolarHBondContact O-CG 3.4Å; G435-Q439 PolarHBondContact O-N 3.23Å
436S95.1Very high94.9Very high21 Ų2158 Ų5815%0.14728%0.284CS..Hα-helixtrans-56.9-50.3-17659.70000112.4E212 E213 S430 Q439 S440E212-S436 WeakPolarHBondContact OE2-CB 3.33Å; E213-S436 VanDerWaalsContact CD-OG 3.28Å; E213-S436 PolarHBondContact OE1-OG 2.65Å; E213-S436 PolarHBondContact OE2-OG 3.16Å; E213-S436 VanDerWaalsContact OE2-OG 3.13Å; S430-S436 WeakPolarHBondContact CB-OG 3.03Å; S430-S436 PolarHBondContact O-N 2.86Å; S436-Q439 PolarHBondContact O-N 2.96Å; S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 2.98Å
437A94.8Very high95Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-65.5-39.3178.300000112.5C211 A232 S430 V431 G435 S440 L441C211-A437 HydrophobicContact CB-CB 3.93Å; A232-A437 WeakPolarHBondContact O-CA 3.41Å; S430-A437 WeakPolarHBondContact O-CB 3.25Å; S430-A437 PolarHBondContact O-N 2.84Å; S430-A437 VanDerWaalsContact O-N 3.1Å; V431-A437 HydrophobicContact CG1-CB 4.21Å; G435-A437 PolarHBondContact O-N 3.33Å; A437-S440 PolarHBondContact O-N 3.15Å; A437-L441 WeakPolarHBondContact O-CB 3.36Å; A437-L441 PolarHBondContact O-N 3.48Å
438Y94.1Very high95.1Very high73 Ų7356 Ų5629%0.28627%0.274SS..Hα-helixtrans-62-45.3174.5-179-89.4000111.9S430 K432 Q433 G435 L441 Q442S430-Y438 PolarHBondContact O-N 2.86Å; K432-Y438 WeakPolarHBondContact O-CB 3.34Å; Q433-Y438 HydrophobicContact CG-CE1 4.35Å; G435-Y438 PolarHBondContact O-N 2.94Å; Y438-L441 WeakPolarHBondContact O-CB 3.43Å; Y438-L441 PolarHBondContact O-N 3.2Å; Y438-Q442 HydrophobicContact CD1-CG 4.16Å; Y438-Q442 HydrophobicContact CE1-CG 3.79Å; Y438-Q442 WeakPolarHBondContact O-CG 3.32Å; Y438-Q442 PolarHBondContact O-N 3.32Å; Y438-Q442 PolarHBondContact OH-NE2 3.49Å; Y438-Q442 VanDerWaalsContact OH-NE2 3.15Å
439Q96Very high95.2Very high102 Ų10257 Ų5748%0.47728%0.277SS..Hα-helixtrans-64-43.1176.2-68.9179.223.400111.4N434 G435 S436 L441 Q442 N443N434-Q439 PolarHBondContact O-NE2 3.36Å; G435-Q439 WeakPolarHBondContact O-CG 3.4Å; G435-Q439 PolarHBondContact O-N 3.23Å; S436-Q439 PolarHBondContact O-N 2.96Å; Q439-L441 VanDerWaalsContact C-N 3.27Å; Q439-L441 PolarHBondContact O-N 3.42Å; Q439-Q442 PolarHBondContact O-N 2.99Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å; Q439-N443 VanDerWaalsContact O-CG 3.31Å; Q439-N443 PolarHBondContact O-N 2.86Å; Q439-N443 PolarHBondContact O-ND2 3.36Å
440S96.1Very high95.2Very high16 Ų1653.5 Ų53.511%0.11228%0.276CS..Hα-helixtrans-58.3-41.5175.2-1600000111.7F231 A232 S436 A437 N443 L444F231-S440 VanDerWaalsContact CA-OG 3.26Å; F231-S440 WeakPolarHBondContact CA-OG 3.2Å; A232-S440 PolarHBondContact N-OG 3.29Å; A232-S440 VanDerWaalsContact O-CB 3.27Å; A232-S440 WeakPolarHBondContact O-CB 3.32Å; S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 2.98Å; A437-S440 PolarHBondContact O-N 3.15Å; S440-N443 PolarHBondContact O-N 3.44Å; S440-L444 PolarHBondContact O-N 3.3Å
441L95.5Very high95.1Very high14 Ų1455.7 Ų55.77%0.07329%0.286CS..Hα-helixtrans-63.8-44.4173.5177.359.1000112.1I29 I233 A437 Y438 Q439 N443 L444 I445I29-L441 HydrophobicContact CG2-CD1 3.71Å; I29-L441 HydrophobicContact CG2-CD2 3.73Å; I29-L441 HydrophobicContact CG2-CG 4.3Å; I233-L441 HydrophobicContact CB-CB 4.31Å; I233-L441 HydrophobicContact CG2-CB 4.19Å; I233-L441 HydrophobicContact CG2-CD1 4.33Å; A437-L441 WeakPolarHBondContact O-CB 3.36Å; A437-L441 PolarHBondContact O-N 3.48Å; Y438-L441 WeakPolarHBondContact O-CB 3.43Å; Y438-L441 PolarHBondContact O-N 3.2Å; Q439-L441 VanDerWaalsContact C-N 3.27Å; Q439-L441 PolarHBondContact O-N 3.42Å; L441-N443 VanDerWaalsContact C-N 3.28Å; L441-N443 PolarHBondContact O-N 2.75Å; L441-L444 HydrophobicContact CD1-CD2 4.39Å; L441-L444 WeakPolarHBondContact O-CB 3.27Å; L441-L444 PolarHBondContact O-N 2.81Å; L441-I445 HydrophobicContact CD1-CD1 4.44Å; L441-I445 HydrophobicContact CD1-CG1 4.19Å; L441-I445 VanDerWaalsContact O-CG1 3.24Å; L441-I445 WeakPolarHBondContact O-CG1 3.29Å; L441-I445 PolarHBondContact O-N 2.98Å
442Q95.7Very high95.2Very high48 Ų4857.4 Ų57.422%0.22429%0.293CS..Hα-helixtrans-59.8-41.6175.7-65.1-55.8-28.900111.7R33 Y438 Q439 L444 I445 N446R33-Q442 VanDerWaalsContact NH1-OE1 3.15Å; R33-Q442 VanDerWaalsContact NH2-NE2 3.2Å; Y438-Q442 HydrophobicContact CD1-CG 4.16Å; Y438-Q442 HydrophobicContact CE1-CG 3.79Å; Y438-Q442 WeakPolarHBondContact O-CG 3.32Å; Y438-Q442 PolarHBondContact O-N 3.32Å; Y438-Q442 PolarHBondContact OH-NE2 3.49Å; Y438-Q442 VanDerWaalsContact OH-NE2 3.15Å; Q439-Q442 PolarHBondContact O-N 2.99Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å; Q442-L444 VanDerWaalsContact C-N 3.35Å; Q442-L444 PolarHBondContact O-N 3.48Å; Q442-I445 PolarHBondContact O-N 3.32Å; Q442-N446 VanDerWaalsContact O-CG 3.29Å; Q442-N446 PolarHBondContact O-N 2.89Å; Q442-N446 PolarHBondContact O-ND2 2.72Å
443N97.3Very high95.3Very high94 Ų9452.8 Ų52.850%0.50328%0.276SS..Hα-helixtrans-63.5-41.5176.9-68-18.9000111.5F231 Q439 S440 L441 I445 N446 Y447F231-N443 HydrophobicContact CD1-CB 4.39Å; F231-N443 HydrophobicContact CE1-CB 4.04Å; Q439-N443 VanDerWaalsContact O-CG 3.31Å; Q439-N443 PolarHBondContact O-N 2.86Å; Q439-N443 PolarHBondContact O-ND2 3.36Å; S440-N443 PolarHBondContact O-N 3.44Å; L441-N443 VanDerWaalsContact C-N 3.28Å; L441-N443 PolarHBondContact O-N 2.75Å; N443-I445 PolarHBondContact O-N 2.88Å; N443-N446 PolarHBondContact O-N 2.84Å; N443-Y447 WeakPolarHBondContact O-CB 3.49Å; N443-Y447 PolarHBondContact O-N 2.65Å
444L97.6Very high95.6Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-58.8-47173.8174.862.1000111.6L131 I207 F231 I233 S440 L441 Q442 Y447 I448L131-L444 HydrophobicContact CD1-CD1 3.8Å; I207-L444 HydrophobicContact CD1-CD1 3.83Å; I207-L444 HydrophobicContact CD1-CD2 3.91Å; I207-L444 HydrophobicContact CG1-CD1 3.91Å; I207-L444 HydrophobicContact CG1-CD2 4.07Å; I207-L444 HydrophobicContact CG2-CD2 4.27Å; F231-L444 HydrophobicContact CB-CB 4.24Å; F231-L444 HydrophobicContact CD1-CB 3.73Å; F231-L444 HydrophobicContact CD1-CD1 4.48Å; F231-L444 HydrophobicContact CD2-CB 4.39Å; F231-L444 HydrophobicContact CD2-CD1 3.66Å; F231-L444 HydrophobicContact CE1-CB 4.12Å; F231-L444 HydrophobicContact CE2-CD1 3.86Å; F231-L444 HydrophobicContact CG-CB 3.87Å; F231-L444 HydrophobicContact CG-CD1 3.98Å; F231-L444 HydrophobicContact CG-CG 4.41Å; F231-L444 HydrophobicContact CZ-CD1 4.37Å; I233-L444 HydrophobicContact CG2-CD2 3.95Å; S440-L444 PolarHBondContact O-N 3.3Å; L441-L444 HydrophobicContact CD1-CD2 4.39Å; L441-L444 WeakPolarHBondContact O-CB 3.27Å; L441-L444 PolarHBondContact O-N 2.81Å; Q442-L444 VanDerWaalsContact C-N 3.35Å; Q442-L444 PolarHBondContact O-N 3.48Å; L444-Y447 PolarHBondContact O-N 2.84Å; L444-I448 HydrophobicContact CD1-CD1 3.71Å; L444-I448 HydrophobicContact CD1-CG1 4.04Å; L444-I448 HydrophobicContact CG-CD1 3.89Å; L444-I448 WeakPolarHBondContact O-CG1 3.36Å; L444-I448 PolarHBondContact O-N 3.26Å
445I96.6Very high95.9Very high13 Ų1343.4 Ų43.47%0.06723%0.231CC..Hα-helixtrans-61.9-46.3-179.9-65.6-66.7000111.3L30 R33 F35 L441 Q442 N443 Y447 S449L30-I445 HydrophobicContact CD2-CD1 3.47Å; L30-I445 VanDerWaalsContact CD2-CD1 3.47Å; R33-I445 HydrophobicContact CB-CD1 3.97Å; R33-I445 HydrophobicContact CB-CG2 4.4Å; R33-I445 HydrophobicContact CG-CD1 3.74Å; R33-I445 HydrophobicContact CG-CG1 4.15Å; F35-I445 HydrophobicContact CD2-CD1 4.42Å; F35-I445 HydrophobicContact CE2-CD1 3.79Å; F35-I445 HydrophobicContact CE2-CG2 4.06Å; F35-I445 HydrophobicContact CZ-CG2 4.49Å; L441-I445 HydrophobicContact CD1-CD1 4.44Å; L441-I445 HydrophobicContact CD1-CG1 4.19Å; L441-I445 VanDerWaalsContact O-CG1 3.24Å; L441-I445 WeakPolarHBondContact O-CG1 3.29Å; L441-I445 PolarHBondContact O-N 2.98Å; Q442-I445 PolarHBondContact O-N 3.32Å; N443-I445 PolarHBondContact O-N 2.88Å; I445-Y447 VanDerWaalsContact C-N 3.32Å; I445-Y447 PolarHBondContact O-N 2.72Å; I445-S449 WeakPolarHBondContact O-CB 3.49Å; I445-S449 PolarHBondContact O-N 3.03Å; I445-S449 PolarHBondContact O-OG 2.9Å
446N97.2Very high95.9Very high100 Ų10045.3 Ų45.354%0.53524%0.237SC..Hα-helixtrans-63.2-40.9176.9-69-19.3000111.2Q442 N443 S449 S450Q442-N446 VanDerWaalsContact O-CG 3.29Å; Q442-N446 PolarHBondContact O-N 2.89Å; Q442-N446 PolarHBondContact O-ND2 2.72Å; N443-N446 PolarHBondContact O-N 2.84Å; N446-S449 PolarHBondContact O-N 3.22Å; N446-S450 PolarHBondContact O-N 2.91Å; N446-S450 VanDerWaalsContact O-N 3.1Å
447Y98Very high96Very high69 Ų6946.9 Ų46.927%0.27124%0.243SC..Hα-helixtrans-64.2-49.7179.5-169.5-119.5000112L131 S204 P229 F231 N443 L444 I445 S449 S450 F451L131-Y447 HydrophobicContact CD2-CD1 4.45Å; L131-Y447 HydrophobicContact CD2-CE1 4.16Å; S204-Y447 WeakPolarHBondContact O-CE1 3.43Å; S204-Y447 PolarHBondContact O-OH 2.76Å; S204-Y447 VanDerWaalsContact O-OH 3.06Å; P229-Y447 HydrophobicContact CG-CE1 4.24Å; P229-Y447 HydrophobicContact CG-CE2 4.31Å; F231-Y447 AromaticContact CE2-CD1 3.9Å; F231-Y447 HydrophobicContact CE2-CD1 3.9Å; F231-Y447 HydrophobicContact CE2-CE1 4.42Å; F231-Y447 AromaticContact CZ-CD1 3.69Å; F231-Y447 HydrophobicContact CZ-CD1 3.69Å; F231-Y447 HydrophobicContact CZ-CE1 4.42Å; F231-Y447 AromaticContact CZ-CG 3.94Å; F231-Y447 HydrophobicContact CZ-CG 3.94Å; N443-Y447 WeakPolarHBondContact O-CB 3.49Å; N443-Y447 PolarHBondContact O-N 2.65Å; L444-Y447 PolarHBondContact O-N 2.84Å; I445-Y447 VanDerWaalsContact C-N 3.32Å; I445-Y447 PolarHBondContact O-N 2.72Å; Y447-S449 PolarHBondContact O-N 2.79Å; Y447-S450 PolarHBondContact O-N 3.44Å; Y447-S450 PolarHBondContact O-OG 2.91Å; Y447-F451 HydrophobicContact CD1-CE1 4.05Å; Y447-F451 AromaticContact CD1-CZ 3.71Å; Y447-F451 HydrophobicContact CD1-CZ 3.71Å; Y447-F451 HydrophobicContact CD2-CE1 4.46Å; Y447-F451 AromaticContact CE1-CE1 3.62Å; Y447-F451 HydrophobicContact CE1-CE1 3.62Å; Y447-F451 HydrophobicContact CE1-CE2 4.47Å; Y447-F451 AromaticContact CE1-CZ 3.34Å; Y447-F451 HydrophobicContact CE1-CZ 3.34Å; Y447-F451 HydrophobicContact CE2-CE1 4.06Å; Y447-F451 HydrophobicContact CG-CE1 4.44Å; Y447-F451 HydrophobicContact CG-CZ 4.48Å; Y447-F451 AromaticContact CZ-CE1 3.6Å; Y447-F451 AromaticContact CZ-CZ 3.83Å
448I97.5Very high96.1Very high0 Ų050.3 Ų50.30%026%0.261CS..Hα-helixtrans-57.9-39.5173.4-67.6170.8000110.5V9 L30 F35 S108 I111 L131 L444 S450 F451V9-I448 HydrophobicContact CG2-CG2 3.85Å; L30-I448 HydrophobicContact CD2-CD1 4.05Å; F35-I448 HydrophobicContact CD1-CG2 4.34Å; F35-I448 HydrophobicContact CE1-CB 4.45Å; F35-I448 HydrophobicContact CE1-CG2 3.5Å; F35-I448 HydrophobicContact CZ-CB 4.18Å; F35-I448 HydrophobicContact CZ-CG2 3.69Å; S108-I448 WeakPolarHBondContact OG-CG2 3.1Å; S108-I448 PolarHBondContact OG-O 2.75Å; I111-I448 HydrophobicContact CD1-CD1 3.98Å; L131-I448 HydrophobicContact CD1-CD1 3.96Å; L131-I448 HydrophobicContact CD1-CG1 3.69Å; L444-I448 HydrophobicContact CD1-CD1 3.71Å; L444-I448 HydrophobicContact CD1-CG1 4.04Å; L444-I448 HydrophobicContact CG-CD1 3.89Å; L444-I448 WeakPolarHBondContact O-CG1 3.36Å; L444-I448 PolarHBondContact O-N 3.26Å; I448-S450 PolarHBondContact O-N 3.28Å; I448-F451 PolarHBondContact O-N 2.77Å
449S96Very high96.2Very high47 Ų4748.5 Ų48.533%0.32926%0.259SS..Hα-helixtrans-68.9-19.8-179.9-55.50000114.1F35 I445 N446 Y447F35-S449 WeakPolarHBondContact CZ-OG 3.5Å; I445-S449 WeakPolarHBondContact O-CB 3.49Å; I445-S449 PolarHBondContact O-N 3.03Å; I445-S449 PolarHBondContact O-OG 2.9Å; N446-S449 PolarHBondContact O-N 3.22Å; Y447-S449 PolarHBondContact O-N 2.79Å
450S94.9Very high96.2Very high81 Ų8144.1 Ų44.157%0.56624%0.24SC*.Hα-helixtrans-85.2-17.5-179.475.40000114.4N446 Y447 I448N446-S450 PolarHBondContact O-N 2.91Å; N446-S450 VanDerWaalsContact O-N 3.1Å; Y447-S450 PolarHBondContact O-N 3.44Å; Y447-S450 PolarHBondContact O-OG 2.91Å; I448-S450 PolarHBondContact O-N 3.28Å
451F92.5Very high96.3Very high47 Ų4746.6 Ų46.621%0.20625%0.252CS..  trans-66.80178.2-66.7-20.5000113.3R106 C109 M129 L131 Y447 I448R106-F451 VanDerWaalsContact CZ-C 3.43Å; R106-F451 PolarHBondContact NE-O 3.16Å; R106-F451 VanDerWaalsContact NE-O 3.13Å; R106-F451 PolarHBondContact NH1-O 2.87Å; R106-F451 VanDerWaalsContact NH1-O 3.15Å; R106-F451 PolarHBondContact NH2-O 3.26Å; R106-F451 PolarHBondContact NH2-OXT 3.49Å; C109-F451 HydrophobicContact CB-CD2 3.76Å; C109-F451 HydrophobicContact CB-CE2 3.84Å; M129-F451 HydrophobicContact CB-CD1 4.4Å; M129-F451 HydrophobicContact CB-CD2 3.54Å; M129-F451 HydrophobicContact CB-CE1 4.42Å; M129-F451 HydrophobicContact CB-CE2 3.56Å; M129-F451 HydrophobicContact CB-CG 3.96Å; M129-F451 HydrophobicContact CB-CZ 4.01Å; M129-F451 HydrophobicContact CG-CB 4.09Å; M129-F451 HydrophobicContact CG-CD1 3.85Å; M129-F451 HydrophobicContact CG-CD2 3.82Å; M129-F451 HydrophobicContact CG-CE1 4.12Å; M129-F451 HydrophobicContact CG-CE2 4.09Å; M129-F451 HydrophobicContact CG-CG 3.67Å; M129-F451 HydrophobicContact CG-CZ 4.21Å; M129-F451 HydrophobicContact SD-CE1 4.49Å; L131-F451 HydrophobicContact CD1-CE2 4.46Å; L131-F451 HydrophobicContact CD2-CE2 4.44Å; L131-F451 HydrophobicContact CD2-CZ 4.28Å; L131-F451 HydrophobicContact CG-CE2 4.42Å; Y447-F451 HydrophobicContact CD1-CE1 4.05Å; Y447-F451 AromaticContact CD1-CZ 3.71Å; Y447-F451 HydrophobicContact CD1-CZ 3.71Å; Y447-F451 HydrophobicContact CD2-CE1 4.46Å; Y447-F451 AromaticContact CE1-CE1 3.62Å; Y447-F451 HydrophobicContact CE1-CE1 3.62Å; Y447-F451 HydrophobicContact CE1-CE2 4.47Å; Y447-F451 AromaticContact CE1-CZ 3.34Å; Y447-F451 HydrophobicContact CE1-CZ 3.34Å; Y447-F451 HydrophobicContact CE2-CE1 4.06Å; Y447-F451 HydrophobicContact CG-CE1 4.44Å; Y447-F451 HydrophobicContact CG-CZ 4.48Å; Y447-F451 AromaticContact CZ-CE1 3.6Å; Y447-F451 AromaticContact CZ-CZ 3.83Å; I448-F451 PolarHBondContact O-N 2.77Å

Retrieved 451 of 451 residues in 744.5 ms (Link to these results)

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