A0A077YXI3_TRITR Loading...

GDP-L-fucose synthase

Catalyzes the two-step NADP-dependent conversion of GDP-4-dehydro-6-deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction.

AlphaFold DB , UniProt , Accession A0A077YXI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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
1M36.7Very low71.3Confident242 Ų24285.1 Ų85.1100%1.19248%0.478SS*.  099.20-75.2179.1-81.900106.4N3M1-N3 PolarHBondContact O-N 3.49Å
2V34.8Very low73.6Confident139 Ų13978.1 Ų78.184%0.84244%0.439SS*.  trans-67.4114.1170.9-179.60000104.6E4V2-E4 VanDerWaalsContact C-N 3.3Å; V2-E4 PolarHBondContact O-N 3.3Å
3N40.3Very low75.5Confident157 Ų15773.6 Ų73.684%0.8442%0.421SS*.  trans-64.398.4173-146.618.8000104.6M1 S5M1-N3 PolarHBondContact O-N 3.49Å; N3-S5 VanDerWaalsContact C-N 3.3Å; N3-S5 PolarHBondContact O-N 3.17Å
4E48.8Very low77.1Confident178 Ų17868.5 Ų68.583%0.83239%0.392SS*.  trans-57.4104.8168.1-81.4-177.9165.700105.1V2 S6V2-E4 VanDerWaalsContact C-N 3.3Å; V2-E4 PolarHBondContact O-N 3.3Å; E4-S6 PolarHBondContact O-N 3.41Å
5S59Low78.4Confident109 Ų10968.5 Ų68.576%0.76240%0.398SS*.  trans-55.5113.8171.950.30000106.2N3 A7N3-S5 VanDerWaalsContact C-N 3.3Å; N3-S5 PolarHBondContact O-N 3.17Å; S5-A7 PolarHBondContact O-N 2.89Å
6S78.5Confident79.5Confident68 Ų6865.5 Ų65.548%0.47639%0.386SS..  trans-51.6127.7177.539.80000108.7E4 V8 D38E4-S6 PolarHBondContact O-N 3.41Å; S6-V8 WeakPolarHBondContact O-CG2 3.1Å; S6-V8 PolarHBondContact O-N 3.45Å; S6-D38 WeakPolarHBondContact CB-OD2 3.42Å; S6-D38 PolarHBondContact OG-OD2 2.8Å
7A93.6Very high80.5Confident24 Ų2462.8 Ų62.820%0.19837%0.369CS..  trans-63134.7176.200000109.3S5 R37 D38 T65S5-A7 PolarHBondContact O-N 2.89Å; A7-R37 WeakPolarHBondContact O-CA 3.35Å; A7-R37 WeakPolarHBondContact O-CD 3.28Å; A7-D38 PolarHBondContact O-N 2.8Å; A7-T65 WeakPolarHBondContact CA-OG1 3.49Å; A7-T65 HydrophobicContact CB-CG2 4.4Å; A7-T65 WeakPolarHBondContact CB-OG1 3.47Å
8V97.1Very high81.5Confident19 Ų1960.8 Ų60.812%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-112.1123-171.6178.20000109.3S6 D38 V40 P64 T65 E66S6-V8 WeakPolarHBondContact O-CG2 3.1Å; S6-V8 PolarHBondContact O-N 3.45Å; V8-D38 CarbonylContact C-O 3.58Å; V8-D38 WeakPolarHBondContact CA-O 3.41Å; V8-D38 HydrophobicContact CG2-CB 4.21Å; V8-V40 HydrophobicContact CG1-CG2 3.91Å; V8-P64 WeakPolarHBondContact O-CA 3.26Å; V8-T65 PolarHBondContact N-OG1 3.22Å; V8-T65 PolarHBondContact O-N 3.12Å; V8-T65 PolarHBondContact O-OG1 3.48Å; V8-E66 PolarHBondContact O-N 3.42Å
9V98Very high82.4Confident0 Ų057.7 Ų57.70%034%0.338CS..EExtended strand (participates in β ladder)trans-99.7114.7172-177.60000109.3V11 R37 D38 W39 V40 E66 I68 L232V9-V11 HydrophobicContact CG1-CG2 4.27Å; V9-R37 HydrophobicContact CG2-CB 3.84Å; V9-R37 HydrophobicContact CG2-CG 3.72Å; V9-D38 PolarHBondContact N-O 2.89Å; V9-W39 HydrophobicContact CB-CD2 4.09Å; V9-W39 HydrophobicContact CB-CE3 3.84Å; V9-W39 HydrophobicContact CB-CH2 4.4Å; V9-W39 HydrophobicContact CB-CZ3 4.03Å; V9-W39 HydrophobicContact CG1-CD2 4.42Å; V9-W39 HydrophobicContact CG1-CE3 3.69Å; V9-W39 HydrophobicContact CG1-CH2 4.05Å; V9-W39 HydrophobicContact CG1-CZ3 3.49Å; V9-W39 VanDerWaalsContact CG1-CZ3 3.49Å; V9-W39 HydrophobicContact CG2-CH2 4.36Å; V9-W39 HydrophobicContact CG2-CZ2 4.36Å; V9-W39 HydrophobicContact CG2-CZ3 4.48Å; V9-V40 PolarHBondContact O-N 2.85Å; V9-E66 WeakPolarHBondContact CA-O 3.29Å; V9-E66 HydrophobicContact CG2-CB 4.36Å; V9-I68 HydrophobicContact CG1-CD1 4.25Å; V9-I68 HydrophobicContact CG1-CG1 4.15Å; V9-L232 HydrophobicContact CG1-CD2 3.73Å; V9-L232 HydrophobicContact CG2-CD2 3.97Å
10L98.6Very high83.1Confident0 Ų057.9 Ų57.90%034%0.335CS..EExtended strand (participates in β ladder)trans-91.2121.5175.4-170.468000110.9V40 L42 V58 F59 Y62 P64 E66 V67 I68L10-V40 HydrophobicContact CD1-CB 3.76Å; L10-V40 HydrophobicContact CD1-CG1 3.62Å; L10-L42 HydrophobicContact CD1-CD1 3.62Å; L10-L42 HydrophobicContact CD1-CD2 4.32Å; L10-L42 HydrophobicContact CD1-CG 3.78Å; L10-L42 HydrophobicContact CD2-CD1 4.11Å; L10-L42 HydrophobicContact CG-CD1 4.01Å; L10-V58 HydrophobicContact CD1-CG1 4.36Å; L10-V58 HydrophobicContact CD2-CG1 3.75Å; L10-F59 HydrophobicContact CD2-CE2 4.29Å; L10-F59 HydrophobicContact CD2-CZ 4.34Å; L10-Y62 HydrophobicContact CD1-CD2 4.28Å; L10-P64 HydrophobicContact CB-CB 3.78Å; L10-P64 HydrophobicContact CB-CG 4.25Å; L10-P64 HydrophobicContact CD2-CG 4.17Å; L10-E66 PolarHBondContact N-O 2.93Å; L10-V67 HydrophobicContact CB-CG2 4.23Å; L10-V67 CarbonylContact O-C 3.59Å; L10-V67 WeakPolarHBondContact O-CA 3.26Å; L10-I68 PolarHBondContact O-N 2.97Å
11V98.8Very high83.8Confident0 Ų055.3 Ų55.30%032%0.32CS..EExtended strand (participates in β ladder)trans-108.8102.3177.2-172.60000109.4V9 W39 V40 F41 L42 I68 L70V9-V11 HydrophobicContact CG1-CG2 4.27Å; V11-W39 HydrophobicContact CG2-CE3 3.9Å; V11-W39 HydrophobicContact CG2-CZ3 4.19Å; V11-V40 PolarHBondContact N-O 3.38Å; V11-F41 HydrophobicContact CB-CD1 3.72Å; V11-F41 HydrophobicContact CB-CE1 4.01Å; V11-F41 HydrophobicContact CB-CG 4.38Å; V11-F41 HydrophobicContact CG1-CD1 3.87Å; V11-F41 HydrophobicContact CG1-CE1 4.05Å; V11-F41 HydrophobicContact CG2-CD1 4.05Å; V11-F41 HydrophobicContact CG2-CE1 3.85Å; V11-F41 HydrophobicContact CG2-CZ 4.34Å; V11-L42 PolarHBondContact O-N 3.09Å; V11-I68 WeakPolarHBondContact CA-O 3.44Å; V11-I68 HydrophobicContact CG1-CB 4.33Å; V11-I68 HydrophobicContact CG1-CG2 4.48Å; V11-I68 HydrophobicContact CG2-CB 4.24Å; V11-I68 HydrophobicContact CG2-CD1 4.2Å; V11-L70 HydrophobicContact CG1-CD1 3.85Å; V11-L70 HydrophobicContact CG1-CG 4.43Å
12T98.8Very high86.7Confident1 Ų143.8 Ų43.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-77.7143.2173.367.90000110.3G14 L42 L49 I68 H69 L70 A71 L98T12-G14 VanDerWaalsContact C-N 3.26Å; T12-G14 PolarHBondContact O-N 2.87Å; T12-L42 HydrophobicContact CG2-CD1 4.4Å; T12-L49 HydrophobicContact CG2-CD1 3.79Å; T12-I68 PolarHBondContact N-O 3.19Å; T12-H69 VanDerWaalsContact OG1-CA 3.31Å; T12-H69 WeakPolarHBondContact OG1-CA 3.46Å; T12-H69 PolarHBondContact OG1-ND1 3.41Å; T12-L70 WeakPolarHBondContact O-CA 3.39Å; T12-L70 WeakPolarHBondContact O-CB 3.38Å; T12-L70 PolarHBondContact O-N 3.35Å; T12-L70 VanDerWaalsContact O-N 3.15Å; T12-L70 PolarHBondContact OG1-N 3.45Å; T12-A71 PolarHBondContact O-N 2.7Å; T12-A71 PolarHBondContact OG1-N 3.02Å; T12-L98 HydrophobicContact CG2-CD1 3.75Å
13G98Very high89.6Confident20 Ų2039 Ų3921%0.20623%0.232CC..THydrogen-bonded Turntrans72.222.6-175.100000113.1S15 G16 L42G13-S15 PolarHBondContact O-N 3.44Å; G13-S15 VanDerWaalsContact O-N 3.16Å; G13-G16 PolarHBondContact O-N 3Å; G13-L42 CarbonylContact C-O 3.6Å; G13-L42 PolarHBondContact N-O 3.49Å
14G97.9Very high92.2Very high2 Ų235 Ų352%0.02122%0.216CC..THydrogen-bonded Turntrans-59.4-20.7-179.200000114.8T12 G19 K20 L42T12-G14 VanDerWaalsContact C-N 3.26Å; T12-G14 PolarHBondContact O-N 2.87Å; G14-G19 CarbonylContact O-C 3.56Å; G14-G19 VanDerWaalsContact O-C 3.28Å; G14-G19 WeakPolarHBondContact O-CA 3.3Å; G14-K20 PolarHBondContact O-N 2.95Å; G14-L42 WeakPolarHBondContact CA-O 3.41Å; G14-L42 PolarHBondContact N-O 3.3Å
15S96.8Very high94.4Very high68 Ų6826.5 Ų26.548%0.47618%0.177SC..THydrogen-bonded Turntrans-84.1-8.3175.163.90000114.5G13 S43G13-S15 PolarHBondContact O-N 3.44Å; G13-S15 VanDerWaalsContact O-N 3.16Å; S15-S43 WeakPolarHBondContact OG-CB 3.37Å
16G96.4Very high96Very high21 Ų2123.2 Ų23.222%0.21615%0.15CC..SBendtrans-81.8175.4176.600000112.8G13 I18 G19 K20G13-G16 PolarHBondContact O-N 3Å; G16-I18 PolarHBondContact O-N 3.28Å; G16-G19 PolarHBondContact O-N 3.45Å; G16-G19 VanDerWaalsContact O-N 3.16Å; G16-K20 PolarHBondContact O-N 3.33Å
17M96.9Very high96.6Very high20 Ų2027.4 Ų27.410%0.09916%0.16CC..Hα-helixtrans-49.6-54.1179173.517956.100113G19 K20 A21 V174 G176 D179M17-G19 PolarHBondContact O-N 2.91Å; M17-K20 PolarHBondContact O-N 3.03Å; M17-A21 WeakPolarHBondContact O-CB 3.45Å; M17-A21 PolarHBondContact O-N 3.36Å; M17-V174 HydrophobicContact CE-CB 3.68Å; M17-V174 HydrophobicContact CE-CG1 3.57Å; M17-V174 HydrophobicContact SD-CG1 4.19Å; M17-G176 PolarHBondContact SD-N 3.43Å; M17-G176 VanDerWaalsContact SD-N 3.38Å; M17-D179 HydrophobicContact SD-CB 3.72Å; M17-D179 VanDerWaalsContact SD-CG 3.53Å
18I98.1Very high96.2Very high27 Ų2728 Ų2814%0.13817%0.168CC..Hα-helixtrans-66-40.9-178.7-56.4174.2000110.6G16 K20 A21 I22 L70 V174 L224 I228G16-I18 PolarHBondContact O-N 3.28Å; I18-K20 PolarHBondContact O-N 3.1Å; I18-A21 WeakPolarHBondContact O-CB 3.38Å; I18-A21 PolarHBondContact O-N 2.86Å; I18-I22 HydrophobicContact CG2-CD1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.49Å; I18-L70 HydrophobicContact CB-CD1 4.04Å; I18-L70 HydrophobicContact CG2-CD1 3.73Å; I18-L70 HydrophobicContact CG2-CD2 3.98Å; I18-L70 HydrophobicContact CG2-CG 4.46Å; I18-V174 HydrophobicContact CD1-CG2 4.44Å; I18-V174 HydrophobicContact CG1-CG1 4.25Å; I18-L224 HydrophobicContact CD1-CD2 3.75Å; I18-L224 HydrophobicContact CG1-CD2 4.07Å; I18-L224 HydrophobicContact CG2-CD2 4.4Å; I18-I228 HydrophobicContact CG2-CD1 3.57Å
19G98.3Very high94.6Very high1 Ų136.9 Ų36.91%0.0121%0.208CC..Hα-helixtrans-60.6-44.6177.300000113.1G14 G16 M17 A21 I22 E23G14-G19 CarbonylContact O-C 3.56Å; G14-G19 VanDerWaalsContact O-C 3.28Å; G14-G19 WeakPolarHBondContact O-CA 3.3Å; G16-G19 PolarHBondContact O-N 3.45Å; G16-G19 VanDerWaalsContact O-N 3.16Å; M17-G19 PolarHBondContact O-N 2.91Å; G19-A21 VanDerWaalsContact C-N 3.35Å; G19-I22 PolarHBondContact O-N 3.33Å; G19-E23 PolarHBondContact O-N 2.93Å
20K97.6Very high93Very high62 Ų6239.4 Ų39.427%0.2723%0.226SC..Hα-helixtrans-66.7-35.1174.6-72.6-49.9-162.7-1730113G14 G16 M17 I18 E23 S24 Y178G14-K20 PolarHBondContact O-N 2.95Å; G16-K20 PolarHBondContact O-N 3.33Å; M17-K20 PolarHBondContact O-N 3.03Å; I18-K20 PolarHBondContact O-N 3.1Å; K20-E23 VanDerWaalsContact CD-OE2 3.25Å; K20-E23 WeakPolarHBondContact CD-OE2 3.26Å; K20-E23 IonicContact NZ-OE2 2.63Å; K20-E23 PolarHBondContact NZ-OE2 3.42Å; K20-E23 PolarHBondContact O-N 3.21Å; K20-S24 PolarHBondContact O-N 2.88Å; K20-Y178 HydrophobicContact CB-CD2 3.54Å; K20-Y178 HydrophobicContact CB-CE2 3.98Å; K20-Y178 HydrophobicContact CB-CG 3.96Å; K20-Y178 HydrophobicContact CG-CD1 4.15Å; K20-Y178 HydrophobicContact CG-CD2 3.87Å; K20-Y178 HydrophobicContact CG-CE2 4.26Å; K20-Y178 HydrophobicContact CG-CG 3.82Å
21A97.7Very high91.6Very high3 Ų341.3 Ų41.33%0.02524%0.236CC..Hα-helixtrans-65.3-43.6173.500000111.8M17 I18 G19 S24 V25 S221 I222 A225M17-A21 WeakPolarHBondContact O-CB 3.45Å; M17-A21 PolarHBondContact O-N 3.36Å; I18-A21 WeakPolarHBondContact O-CB 3.38Å; I18-A21 PolarHBondContact O-N 2.86Å; G19-A21 VanDerWaalsContact C-N 3.35Å; A21-S24 WeakPolarHBondContact O-CB 3.34Å; A21-S24 PolarHBondContact O-N 3.35Å; A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.9Å; A21-S221 WeakPolarHBondContact CB-O 3.2Å; A21-I222 HydrophobicContact CB-CD1 3.79Å; A21-A225 VanDerWaalsContact C-CB 3.44Å; A21-A225 HydrophobicContact CB-CB 3.7Å
22I97.4Very high90.1Very high0 Ų047.1 Ų47.10%027%0.274CS..Hα-helixtrans-61.1-47173.1-66174.7000110.3I18 G19 S24 V25 I26 W39 F41 I68 L70 A225 I228 V229I18-I22 HydrophobicContact CG2-CD1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.49Å; G19-I22 PolarHBondContact O-N 3.33Å; I22-S24 PolarHBondContact O-N 2.89Å; I22-V25 PolarHBondContact O-N 3.01Å; I22-V25 VanDerWaalsContact O-N 3.07Å; I22-I26 HydrophobicContact CG2-CG1 4.03Å; I22-I26 WeakPolarHBondContact O-CG1 3.2Å; I22-I26 PolarHBondContact O-N 3.42Å; I22-W39 HydrophobicContact CG2-CE3 4.49Å; I22-W39 HydrophobicContact CG2-CZ3 4.1Å; I22-F41 HydrophobicContact CB-CE1 4.17Å; I22-F41 HydrophobicContact CG2-CE1 3.85Å; I22-F41 HydrophobicContact CG2-CZ 4.05Å; I22-I68 HydrophobicContact CD1-CD1 4.14Å; I22-I68 HydrophobicContact CD1-CG2 4.15Å; I22-L70 HydrophobicContact CD1-CD1 3.85Å; I22-A225 HydrophobicContact CB-CB 4.35Å; I22-A225 HydrophobicContact CG1-CB 3.66Å; I22-I228 HydrophobicContact CD1-CB 4.34Å; I22-I228 HydrophobicContact CD1-CD1 4.38Å; I22-I228 HydrophobicContact CD1-CG2 3.79Å; I22-V229 HydrophobicContact CG2-CG2 4.04Å
23E96.2Very high88.6Confident40 Ų4056 Ų5619%0.18731%0.313CS..Hα-helixtrans-55.1-41.7176.5-173.1-179.9-165.200111.9G19 K20 K27 F41G19-E23 PolarHBondContact O-N 2.93Å; K20-E23 VanDerWaalsContact CD-OE2 3.25Å; K20-E23 WeakPolarHBondContact CD-OE2 3.26Å; K20-E23 IonicContact NZ-OE2 2.63Å; K20-E23 PolarHBondContact NZ-OE2 3.42Å; K20-E23 PolarHBondContact O-N 3.21Å; E23-K27 HydrophobicContact CG-CD 4.18Å; E23-K27 WeakPolarHBondContact O-CB 3.35Å; E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 3.43Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 VanDerWaalsContact O-N 3.14Å; E23-K27 WeakPolarHBondContact OE1-CE 3.19Å; E23-K27 IonicContact OE1-NZ 3.14Å; E23-K27 PolarHBondContact OE1-NZ 2.71Å; E23-F41 HydrophobicContact CB-CD1 4.36Å; E23-F41 HydrophobicContact CB-CE1 3.9Å; E23-F41 HydrophobicContact CB-CE2 4.23Å; E23-F41 HydrophobicContact CB-CZ 3.84Å; E23-F41 HydrophobicContact CG-CE2 4.22Å; E23-F41 HydrophobicContact CG-CZ 4.32Å
24S94.7Very high87.8Confident71 Ų7157.1 Ų57.150%0.49731%0.313SS..Hα-helixtrans-67-41175.8-169.20000112.8K20 A21 I22 G28K20-S24 PolarHBondContact O-N 2.88Å; A21-S24 WeakPolarHBondContact O-CB 3.34Å; A21-S24 PolarHBondContact O-N 3.35Å; I22-S24 PolarHBondContact O-N 2.89Å; S24-G28 PolarHBondContact O-N 3.47Å
25V94.5Very high87.3Confident1 Ų159 Ų591%0.00633%0.325CS..Hα-helixtrans-66.6-41.6179.6164.40000111.4A21 I22 G28 S30 L31 I222 A225 K226 V229A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.9Å; I22-V25 PolarHBondContact O-N 3.01Å; I22-V25 VanDerWaalsContact O-N 3.07Å; V25-G28 PolarHBondContact O-N 2.84Å; V25-G28 VanDerWaalsContact O-O 3.07Å; V25-S30 PolarHBondContact O-OG 2.95Å; V25-L31 HydrophobicContact CG1-CD1 3.49Å; V25-L31 VanDerWaalsContact CG1-CD1 3.49Å; V25-L31 HydrophobicContact CG1-CG 3.92Å; V25-I222 HydrophobicContact CG2-CG2 4.02Å; V25-A225 HydrophobicContact CB-CB 4.39Å; V25-A225 HydrophobicContact CG2-CB 3.8Å; V25-K226 HydrophobicContact CG1-CG 4.15Å; V25-K226 HydrophobicContact CG2-CG 3.97Å; V25-V229 HydrophobicContact CG1-CG2 4.46Å
26I93.3Very high86.9Confident39 Ų3964.3 Ų64.320%0.234%0.342CS..Hα-helixtrans-70.1-37.1179.1-63.9-51.4000112.2I22 I34 W39 V229I22-I26 HydrophobicContact CG2-CG1 4.03Å; I22-I26 WeakPolarHBondContact O-CG1 3.2Å; I22-I26 PolarHBondContact O-N 3.42Å; I26-I34 HydrophobicContact CD1-CD1 3.61Å; I26-W39 HydrophobicContact CD1-CD2 4.33Å; I26-W39 HydrophobicContact CD1-CH2 3.58Å; I26-W39 HydrophobicContact CD1-CZ2 3.3Å; I26-W39 HydrophobicContact CD1-CZ3 4.17Å; I26-W39 HydrophobicContact CG1-CD2 3.96Å; I26-W39 HydrophobicContact CG1-CE3 4.09Å; I26-W39 HydrophobicContact CG1-CH2 4.02Å; I26-W39 HydrophobicContact CG1-CZ2 3.87Å; I26-W39 HydrophobicContact CG1-CZ3 4.11Å; I26-W39 HydrophobicContact CG2-CD2 4.11Å; I26-W39 HydrophobicContact CG2-CG 4Å; I26-V229 HydrophobicContact CD1-CG1 3.93Å; I26-V229 HydrophobicContact CD1-CG2 3.84Å
27K90.7Very high86.7Confident157 Ų15766.5 Ų66.568%0.68334%0.344SS*.Hα-helixtrans-77.3-22.2177.6-71.3178.3-173.7175.60113.3E23E23-K27 HydrophobicContact CG-CD 4.18Å; E23-K27 WeakPolarHBondContact O-CB 3.35Å; E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 3.43Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 VanDerWaalsContact O-N 3.14Å; E23-K27 WeakPolarHBondContact OE1-CE 3.19Å; E23-K27 IonicContact OE1-NZ 3.14Å; E23-K27 PolarHBondContact OE1-NZ 2.71Å
28G85.3Confident86.6Confident36 Ų3669.2 Ų69.237%0.37136%0.359SS..THydrogen-bonded Turntrans-91.9165.5176.700000112.6S24 V25 S30S24-G28 PolarHBondContact O-N 3.47Å; V25-G28 PolarHBondContact O-N 2.84Å; V25-G28 VanDerWaalsContact O-O 3.07Å; G28-S30 PolarHBondContact O-N 3.22Å; G28-S30 VanDerWaalsContact O-N 3.15Å
29E62.9Low86.5Confident205 Ų20570 Ų7096%0.95836%0.36SS*.THydrogen-bonded Turntrans-85.129.7175.3-60.6-179.2168.900112.2L31E29-L31 PolarHBondContact O-N 2.8Å
30S64.3Low86.5Confident54 Ų5471.2 Ų71.238%0.37837%0.367SS..  trans-83.1-7.5-165.368.80000115.3V25 G28V25-S30 PolarHBondContact O-OG 2.95Å; G28-S30 PolarHBondContact O-N 3.22Å; G28-S30 VanDerWaalsContact O-N 3.15Å
31L70Confident86.6Confident40 Ų4070.7 Ų70.721%0.20937%0.365CS..SBendtrans-125.6137.6178.4-75.2177.8000111V25 E29 F33 I34 K226 V229V25-L31 HydrophobicContact CG1-CD1 3.49Å; V25-L31 VanDerWaalsContact CG1-CD1 3.49Å; V25-L31 HydrophobicContact CG1-CG 3.92Å; E29-L31 PolarHBondContact O-N 2.8Å; L31-F33 PolarHBondContact O-N 3.46Å; L31-I34 HydrophobicContact CB-CD1 3.87Å; L31-I34 HydrophobicContact CB-CG1 3.94Å; L31-I34 HydrophobicContact CD1-CD1 3.73Å; L31-I34 HydrophobicContact CD1-CG1 4.14Å; L31-I34 HydrophobicContact CG-CD1 4.38Å; L31-K226 HydrophobicContact CD2-CB 3.89Å; L31-K226 HydrophobicContact CD2-CD 4.48Å; L31-K226 HydrophobicContact CD2-CG 3.87Å; L31-K226 HydrophobicContact CG-CG 4.21Å; L31-V229 HydrophobicContact CD1-CB 3.8Å; L31-V229 HydrophobicContact CD1-CG1 3.53Å
32P66.3Low86.6Confident122 Ų12270.7 Ų70.779%0.79237%0.365SS*.SBendtrans-63.7126170.426.1-30.8000109.5
33F68Low86.6Confident188 Ų18871.9 Ų71.983%0.82537%0.373SS*.  trans28.591.5176.5-167-97.2000116.1L31L31-F33 PolarHBondContact O-N 3.46Å
34I81.5Confident86.6Confident43 Ų4375 Ų7522%0.22140%0.399CS..PPolyproline II helixtrans-88.9130.1163.5-59.8166.3000107.9I26 L31 Q36 W39 V229 F233I26-I34 HydrophobicContact CD1-CD1 3.61Å; L31-I34 HydrophobicContact CB-CD1 3.87Å; L31-I34 HydrophobicContact CB-CG1 3.94Å; L31-I34 HydrophobicContact CD1-CD1 3.73Å; L31-I34 HydrophobicContact CD1-CG1 4.14Å; L31-I34 HydrophobicContact CG-CD1 4.38Å; I34-Q36 PolarHBondContact O-N 2.9Å; I34-W39 HydrophobicContact CG2-CZ2 4.28Å; I34-V229 HydrophobicContact CD1-CG1 3.85Å; I34-V229 HydrophobicContact CG1-CG1 4.09Å; I34-F233 HydrophobicContact CG2-CD2 4.04Å; I34-F233 HydrophobicContact CG2-CE2 3.36Å; I34-F233 HydrophobicContact CG2-CZ 3.88Å
35P86.4Confident86.7Confident40 Ų4081 Ų8126%0.2642%0.416SS..PPolyproline II helixtrans-51.9137.9170.8-26.835000111.2R37 F233P35-R37 PolarHBondContact O-N 3.34Å; P35-F233 HydrophobicContact CB-CE1 4.45Å; P35-F233 HydrophobicContact CG-CD1 4.06Å; P35-F233 HydrophobicContact CG-CE1 4.31Å; P35-F233 HydrophobicContact CG-CG 4.4Å
36Q88.6Confident86.9Confident181 Ų18184.9 Ų84.985%0.84644%0.437SS*.PPolyproline II helixtrans-61.7130.7176.2-170.5174.58.400109.8I34I34-Q36 PolarHBondContact O-N 2.9Å
37R92.4Very high87.1Confident66 Ų6683.3 Ų83.325%0.24943%0.43CS..  trans-145151.9-179.2-66.6-65.1-176.3-96.46.5109.5A7 V9 P35 E66 F233A7-R37 WeakPolarHBondContact O-CA 3.35Å; A7-R37 WeakPolarHBondContact O-CD 3.28Å; V9-R37 HydrophobicContact CG2-CB 3.84Å; V9-R37 HydrophobicContact CG2-CG 3.72Å; P35-R37 PolarHBondContact O-N 3.34Å; R37-E66 IonicContact CZ-OE1 3.63Å; R37-E66 IonicContact NE-OE1 3.71Å; R37-E66 PolarHBondContact NE-OE1 3.34Å; R37-E66 IonicContact NE-OE2 2.68Å; R37-E66 IonicContact NH2-OE1 3.38Å; R37-E66 PolarHBondContact NH2-OE1 3.46Å; R37-E66 VanDerWaalsContact NH2-OE1 3.15Å; R37-F233 HydrophobicContact CG-CE1 4.14Å; R37-F233 HydrophobicContact CG-CZ 4.01Å
38D95.2Very high87.5Confident77 Ų7779.1 Ų79.141%0.41242%0.415SS..EExtended strand (participates in β ladder)trans-85.7115.1164.8-72-27000108.8S6 A7 V8 V9S6-D38 WeakPolarHBondContact CB-OD2 3.42Å; S6-D38 PolarHBondContact OG-OD2 2.8Å; A7-D38 PolarHBondContact O-N 2.8Å; V8-D38 CarbonylContact C-O 3.58Å; V8-D38 WeakPolarHBondContact CA-O 3.41Å; V8-D38 HydrophobicContact CG2-CB 4.21Å; V9-D38 PolarHBondContact N-O 2.89Å
39W96.5Very high88.1Confident45 Ų4578.1 Ų78.117%0.1740%0.401CS..EExtended strand (participates in β ladder)trans-96.5121.6-176.5-66.280.6000110.9V9 V11 I22 I26 I34 F41 I68 V229 L232 F233V9-W39 HydrophobicContact CB-CD2 4.09Å; V9-W39 HydrophobicContact CB-CE3 3.84Å; V9-W39 HydrophobicContact CB-CH2 4.4Å; V9-W39 HydrophobicContact CB-CZ3 4.03Å; V9-W39 HydrophobicContact CG1-CD2 4.42Å; V9-W39 HydrophobicContact CG1-CE3 3.69Å; V9-W39 HydrophobicContact CG1-CH2 4.05Å; V9-W39 HydrophobicContact CG1-CZ3 3.49Å; V9-W39 VanDerWaalsContact CG1-CZ3 3.49Å; V9-W39 HydrophobicContact CG2-CH2 4.36Å; V9-W39 HydrophobicContact CG2-CZ2 4.36Å; V9-W39 HydrophobicContact CG2-CZ3 4.48Å; V11-W39 HydrophobicContact CG2-CE3 3.9Å; V11-W39 HydrophobicContact CG2-CZ3 4.19Å; I22-W39 HydrophobicContact CG2-CE3 4.49Å; I22-W39 HydrophobicContact CG2-CZ3 4.1Å; I26-W39 HydrophobicContact CD1-CD2 4.33Å; I26-W39 HydrophobicContact CD1-CH2 3.58Å; I26-W39 HydrophobicContact CD1-CZ2 3.3Å; I26-W39 HydrophobicContact CD1-CZ3 4.17Å; I26-W39 HydrophobicContact CG1-CD2 3.96Å; I26-W39 HydrophobicContact CG1-CE3 4.09Å; I26-W39 HydrophobicContact CG1-CH2 4.02Å; I26-W39 HydrophobicContact CG1-CZ2 3.87Å; I26-W39 HydrophobicContact CG1-CZ3 4.11Å; I26-W39 HydrophobicContact CG2-CD2 4.11Å; I26-W39 HydrophobicContact CG2-CG 4Å; I34-W39 HydrophobicContact CG2-CZ2 4.28Å; W39-F41 HydrophobicContact CB-CD2 4.31Å; W39-F41 HydrophobicContact CB-CE2 3.61Å; W39-F41 HydrophobicContact CB-CZ 4.25Å; W39-F41 HydrophobicContact CE3-CZ 4.2Å; W39-F41 HydrophobicContact CG-CE2 4.47Å; W39-I68 HydrophobicContact CH2-CD1 4.4Å; W39-I68 HydrophobicContact CZ3-CD1 3.8Å; W39-V229 HydrophobicContact CH2-CG2 4.33Å; W39-L232 HydrophobicContact CH2-CD2 3.95Å; W39-L232 HydrophobicContact CZ3-CD2 4.44Å; W39-F233 HydrophobicContact CH2-CE2 4.05Å; W39-F233 HydrophobicContact CH2-CZ 4.14Å; W39-F233 AromaticContact CZ2-CE2 3.9Å; W39-F233 HydrophobicContact CZ2-CE2 3.9Å; W39-F233 AromaticContact CZ2-CZ 3.82Å; W39-F233 HydrophobicContact CZ2-CZ 3.82Å
40V98.1Very high89.8Confident26 Ų2670.4 Ų70.416%0.15837%0.368CS..EExtended strand (participates in β ladder)trans-112.1109.9178.7-179.20000109.4V8 V9 L10 V11 L42 Y62V8-V40 HydrophobicContact CG1-CG2 3.91Å; V9-V40 PolarHBondContact O-N 2.85Å; L10-V40 HydrophobicContact CD1-CB 3.76Å; L10-V40 HydrophobicContact CD1-CG1 3.62Å; V11-V40 PolarHBondContact N-O 3.38Å; V40-L42 HydrophobicContact CG1-CD2 3.96Å; V40-L42 HydrophobicContact CG1-CG 4.4Å; V40-Y62 HydrophobicContact CB-CD1 4.35Å; V40-Y62 HydrophobicContact CG1-CD1 3.76Å; V40-Y62 HydrophobicContact CG1-CD2 4.06Å; V40-Y62 HydrophobicContact CG1-CE1 3.65Å; V40-Y62 HydrophobicContact CG1-CE2 3.99Å; V40-Y62 HydrophobicContact CG1-CG 3.95Å; V40-Y62 HydrophobicContact CG2-CD1 3.74Å; V40-Y62 HydrophobicContact CG2-CE1 4.15Å; V40-Y62 HydrophobicContact CG2-CG 4.28Å
41F98.5Very high91.4Very high50 Ų5069.4 Ų69.422%0.21936%0.361CS..EExtended strand (participates in β ladder)trans-97.7111.5179.5-66.6-91.4000110.9V11 I22 E23 W39V11-F41 HydrophobicContact CB-CD1 3.72Å; V11-F41 HydrophobicContact CB-CE1 4.01Å; V11-F41 HydrophobicContact CB-CG 4.38Å; V11-F41 HydrophobicContact CG1-CD1 3.87Å; V11-F41 HydrophobicContact CG1-CE1 4.05Å; V11-F41 HydrophobicContact CG2-CD1 4.05Å; V11-F41 HydrophobicContact CG2-CE1 3.85Å; V11-F41 HydrophobicContact CG2-CZ 4.34Å; I22-F41 HydrophobicContact CB-CE1 4.17Å; I22-F41 HydrophobicContact CG2-CE1 3.85Å; I22-F41 HydrophobicContact CG2-CZ 4.05Å; E23-F41 HydrophobicContact CB-CD1 4.36Å; E23-F41 HydrophobicContact CB-CE1 3.9Å; E23-F41 HydrophobicContact CB-CE2 4.23Å; E23-F41 HydrophobicContact CB-CZ 3.84Å; E23-F41 HydrophobicContact CG-CE2 4.22Å; E23-F41 HydrophobicContact CG-CZ 4.32Å; W39-F41 HydrophobicContact CB-CD2 4.31Å; W39-F41 HydrophobicContact CB-CE2 3.61Å; W39-F41 HydrophobicContact CB-CZ 4.25Å; W39-F41 HydrophobicContact CE3-CZ 4.2Å; W39-F41 HydrophobicContact CG-CE2 4.47Å
42L98.1Very high92.8Very high4 Ų470.9 Ų70.92%0.02137%0.369CS..  trans-96.6148.9-178.6-60.4178.9000113.2L10 V11 T12 G13 G14 V40 D46 V58 Y62L10-L42 HydrophobicContact CD1-CD1 3.62Å; L10-L42 HydrophobicContact CD1-CD2 4.32Å; L10-L42 HydrophobicContact CD1-CG 3.78Å; L10-L42 HydrophobicContact CD2-CD1 4.11Å; L10-L42 HydrophobicContact CG-CD1 4.01Å; V11-L42 PolarHBondContact O-N 3.09Å; T12-L42 HydrophobicContact CG2-CD1 4.4Å; G13-L42 CarbonylContact C-O 3.6Å; G13-L42 PolarHBondContact N-O 3.49Å; G14-L42 WeakPolarHBondContact CA-O 3.41Å; G14-L42 PolarHBondContact N-O 3.3Å; V40-L42 HydrophobicContact CG1-CD2 3.96Å; V40-L42 HydrophobicContact CG1-CG 4.4Å; L42-D46 HydrophobicContact CD2-CB 3.84Å; L42-V58 HydrophobicContact CD1-CB 4.49Å; L42-V58 HydrophobicContact CD1-CG1 3.4Å; L42-V58 VanDerWaalsContact CD1-CG1 3.4Å; L42-V58 HydrophobicContact CD1-CG2 4.27Å; L42-Y62 HydrophobicContact CD2-CE2 3.88Å
43S97.8Very high94.3Very high25 Ų2570.9 Ų70.918%0.17536%0.358CS..  trans-122.5174168.573.50000110.7S15 K45 D46 A47S15-S43 WeakPolarHBondContact OG-CB 3.37Å; S43-K45 PolarHBondContact O-N 2.92Å; S43-K45 VanDerWaalsContact O-N 3.14Å; S43-K45 WeakPolarHBondContact OG-CB 3.43Å; S43-K45 PolarHBondContact OG-N 2.93Å; S43-D46 WeakPolarHBondContact CA-OD2 3.29Å; S43-D46 WeakPolarHBondContact CB-OD2 3.47Å; S43-D46 PolarHBondContact N-OD2 3.42Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.17Å; S43-D46 PolarHBondContact OG-OD2 2.86Å; S43-A47 PolarHBondContact O-N 3.32Å
44S96Very high95.8Very high104 Ų10465.6 Ų65.673%0.72734%0.336SS*.THydrogen-bonded Turntrans-64.8-11.5172.155.70000113.9D46S44-D46 VanDerWaalsContact C-N 3.33Å
45K96.8Very high96.6Very high197 Ų19763.5 Ų63.586%0.85733%0.325SS*.THydrogen-bonded Turntrans-77.2-22.8171.7-62-177.3179.1179.90112.4S43S43-K45 PolarHBondContact O-N 2.92Å; S43-K45 VanDerWaalsContact O-N 3.14Å; S43-K45 WeakPolarHBondContact OG-CB 3.43Å; S43-K45 PolarHBondContact OG-N 2.93Å
46D97.7Very high97.1Very high84 Ų8463.7 Ų63.745%0.44932%0.324SS..THydrogen-bonded Turntrans-86.2-40.4-179.7-53.8-74.4000111L42 S43 S44L42-D46 HydrophobicContact CD2-CB 3.84Å; S43-D46 WeakPolarHBondContact CA-OD2 3.29Å; S43-D46 WeakPolarHBondContact CB-OD2 3.47Å; S43-D46 PolarHBondContact N-OD2 3.42Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.17Å; S43-D46 PolarHBondContact OG-OD2 2.86Å; S44-D46 VanDerWaalsContact C-N 3.33Å
47A97.9Very high97.6Very high6 Ų660.6 Ų60.65%0.0531%0.308CS..  trans-161.1141.7172.100000111.9S43 L49 Q54 V58S43-A47 PolarHBondContact O-N 3.32Å; A47-L49 HydrophobicContact CB-CD2 4.21Å; A47-L49 PolarHBondContact O-N 3.48Å; A47-Q54 HydrophobicContact CB-CB 4.11Å; A47-V58 HydrophobicContact CB-CG2 3.44Å; A47-V58 VanDerWaalsContact CB-CG2 3.44Å
48D98.4Very high97.9Very high69 Ų6957.9 Ų57.937%0.36930%0.299SS..  trans-78.3101.6160.8-179-0.4000109.5T50 S51D48-T50 PolarHBondContact O-N 2.99Å; D48-T50 VanDerWaalsContact O-N 3.13Å; D48-T50 WeakPolarHBondContact OD1-CB 3.37Å; D48-T50 PolarHBondContact OD1-N 3.26Å; D48-T50 PolarHBondContact OD1-OG1 2.95Å; D48-T50 PolarHBondContact OD2-OG1 3.5Å; D48-T50 VanDerWaalsContact OD2-OG1 3.12Å; D48-S51 WeakPolarHBondContact O-CB 3.22Å; D48-S51 PolarHBondContact O-N 3.4Å
49L98.6Very high98Very high14 Ų1454.3 Ų54.37%0.07328%0.279CS..THydrogen-bonded Turntrans-68.7-7.3-178.4-60.5179.7000113.7T12 A47 C55 A71 M94 N97T12-L49 HydrophobicContact CG2-CD1 3.79Å; A47-L49 HydrophobicContact CB-CD2 4.21Å; A47-L49 PolarHBondContact O-N 3.48Å; L49-C55 HydrophobicContact CD2-CB 4.36Å; L49-A71 HydrophobicContact CD1-CB 3.71Å; L49-M94 HydrophobicContact CB-CE 4.39Å; L49-M94 HydrophobicContact CB-CG 3.7Å; L49-M94 HydrophobicContact CB-SD 4.29Å; L49-M94 HydrophobicContact CD1-CG 4.46Å; L49-N97 PolarHBondContact O-ND2 3.13Å
50T98.5Very high98.1Very high43 Ų4356.9 Ų56.926%0.26430%0.296SS..THydrogen-bonded Turntrans-75.9-14.6168.471.70000112.6D48 Q90 M94 N97D48-T50 PolarHBondContact O-N 2.99Å; D48-T50 VanDerWaalsContact O-N 3.13Å; D48-T50 WeakPolarHBondContact OD1-CB 3.37Å; D48-T50 PolarHBondContact OD1-N 3.26Å; D48-T50 PolarHBondContact OD1-OG1 2.95Å; D48-T50 PolarHBondContact OD2-OG1 3.5Å; D48-T50 VanDerWaalsContact OD2-OG1 3.12Å; T50-Q90 HydrophobicContact CG2-CB 4.26Å; T50-Q90 HydrophobicContact CG2-CG 4.39Å; T50-M94 HydrophobicContact CG2-CE 4.04Å; T50-N97 PolarHBondContact O-ND2 2.89Å
51S98.5Very high98.1Very high34 Ų3464.3 Ų64.324%0.23832%0.322CS..SBendtrans-94.6116.7171.8176.40000110.7D48 E53 Q54 C55D48-S51 WeakPolarHBondContact O-CB 3.22Å; D48-S51 PolarHBondContact O-N 3.4Å; S51-E53 PolarHBondContact O-N 3.32Å; S51-Q54 PolarHBondContact O-N 3.39Å; S51-C55 WeakPolarHBondContact O-CB 3.32Å; S51-C55 PolarHBondContact O-N 2.82Å
52L98.4Very high98Very high70 Ų7064.5 Ų64.537%0.36632%0.321SS..Hα-helixtrans-58.7-36.8176.7179.358.6000112.1C55 N56 N97L52-C55 PolarHBondContact O-N 3.44Å; L52-N56 VanDerWaalsContact CD1-ND2 3.34Å; L52-N56 WeakPolarHBondContact CD1-ND2 3.47Å; L52-N56 WeakPolarHBondContact CG-ND2 3.47Å; L52-N56 WeakPolarHBondContact O-CB 3.38Å; L52-N56 PolarHBondContact O-N 2.63Å; L52-N56 PolarHBondContact O-ND2 2.86Å; L52-N97 WeakPolarHBondContact CB-OD1 3.33Å; L52-N97 HydrophobicContact CD1-CB 4.28Å; L52-N97 PolarHBondContact N-ND2 2.9Å
53E98.6Very high98Very high123 Ų12371.7 Ų71.758%0.57535%0.352SS*.Hα-helixtrans-63.1-45.9178-172.1-165.8153.300111.6S51 N56 K57S51-E53 PolarHBondContact O-N 3.32Å; E53-N56 PolarHBondContact O-N 3.16Å; E53-K57 WeakPolarHBondContact O-CG 3.18Å; E53-K57 PolarHBondContact O-N 3.35Å; E53-K57 VanDerWaalsContact O-N 3.09Å; E53-K57 WeakPolarHBondContact OE1-CE 3.28Å; E53-K57 IonicContact OE1-NZ 2.7Å; E53-K57 PolarHBondContact OE1-NZ 3.12Å
54Q98.6Very high98Very high76 Ų7670.7 Ų70.736%0.35535%0.345SS..Hα-helixtrans-70.7-36.8178.8-65.2-173.549.300111.7A47 S51 K57 V58A47-Q54 HydrophobicContact CB-CB 4.11Å; S51-Q54 PolarHBondContact O-N 3.39Å; Q54-K57 PolarHBondContact O-N 3.43Å; Q54-V58 PolarHBondContact O-N 2.88Å
55C98.6Very high98.1Very high0 Ų068.7 Ų68.70%033%0.329CS..Hα-helixtrans-60.3-48.9173.8-163.90000110.8L49 S51 L52 K57 V58 F59 N97 C101L49-C55 HydrophobicContact CD2-CB 4.36Å; S51-C55 WeakPolarHBondContact O-CB 3.32Å; S51-C55 PolarHBondContact O-N 2.82Å; L52-C55 PolarHBondContact O-N 3.44Å; C55-K57 PolarHBondContact O-N 2.55Å; C55-V58 WeakPolarHBondContact O-CB 3.34Å; C55-V58 PolarHBondContact O-N 3.44Å; C55-V58 VanDerWaalsContact O-N 3.12Å; C55-F59 WeakPolarHBondContact O-CD2 3.41Å; C55-F59 PolarHBondContact O-N 2.66Å; C55-N97 HydrophobicContact CB-CB 4.12Å; C55-C101 VanDerWaalsContact SG-SG 3.65Å
56N98.2Very high98.1Very high43 Ų4360.5 Ų60.523%0.2329%0.294CS..Hα-helixtrans-57.6-46.2175.8-84.6-59.9000112.6L52 E53 V58 F59 D60 C101L52-N56 VanDerWaalsContact CD1-ND2 3.34Å; L52-N56 WeakPolarHBondContact CD1-ND2 3.47Å; L52-N56 WeakPolarHBondContact CG-ND2 3.47Å; L52-N56 WeakPolarHBondContact O-CB 3.38Å; L52-N56 PolarHBondContact O-N 2.63Å; L52-N56 PolarHBondContact O-ND2 2.86Å; E53-N56 PolarHBondContact O-N 3.16Å; N56-V58 PolarHBondContact O-N 3.34Å; N56-F59 PolarHBondContact O-N 3.07Å; N56-D60 PolarHBondContact O-N 3.3Å; N56-C101 VanDerWaalsContact CG-SG 3.57Å; N56-C101 PolarHBondContact OD1-SG 2.96Å; N56-C101 VanDerWaalsContact OD1-SG 3.32Å
57K98.4Very high98.2Very high117 Ų11756.5 Ų56.551%0.50927%0.272SS..Hα-helixtrans-56.7-34.7177.5-74.6174.7-174.2169.50113.2E53 Q54 C55 R61E53-K57 WeakPolarHBondContact O-CG 3.18Å; E53-K57 PolarHBondContact O-N 3.35Å; E53-K57 VanDerWaalsContact O-N 3.09Å; E53-K57 WeakPolarHBondContact OE1-CE 3.28Å; E53-K57 IonicContact OE1-NZ 2.7Å; E53-K57 PolarHBondContact OE1-NZ 3.12Å; Q54-K57 PolarHBondContact O-N 3.43Å; C55-K57 PolarHBondContact O-N 2.55Å; K57-R61 WeakPolarHBondContact O-CB 3.45Å; K57-R61 PolarHBondContact O-N 3.02Å; K57-R61 VanDerWaalsContact O-N 3.11Å
58V98.4Very high98.2Very high9 Ų956.2 Ų56.26%0.05527%0.27CS..Hα-helixtrans-65.6-48.7174.7161.50000110.8L10 L42 A47 Q54 C55 N56 R61 Y62L10-V58 HydrophobicContact CD1-CG1 4.36Å; L10-V58 HydrophobicContact CD2-CG1 3.75Å; L42-V58 HydrophobicContact CD1-CB 4.49Å; L42-V58 HydrophobicContact CD1-CG1 3.4Å; L42-V58 VanDerWaalsContact CD1-CG1 3.4Å; L42-V58 HydrophobicContact CD1-CG2 4.27Å; A47-V58 HydrophobicContact CB-CG2 3.44Å; A47-V58 VanDerWaalsContact CB-CG2 3.44Å; Q54-V58 PolarHBondContact O-N 2.88Å; C55-V58 WeakPolarHBondContact O-CB 3.34Å; C55-V58 PolarHBondContact O-N 3.44Å; C55-V58 VanDerWaalsContact O-N 3.12Å; N56-V58 PolarHBondContact O-N 3.34Å; V58-R61 PolarHBondContact O-N 3.32Å; V58-Y62 HydrophobicContact CG1-CD2 4.08Å; V58-Y62 VanDerWaalsContact O-CD2 3.3Å; V58-Y62 WeakPolarHBondContact O-CD2 3.49Å; V58-Y62 PolarHBondContact O-N 2.92Å
59F98.5Very high98.2Very high1 Ų153 Ų530%0.00425%0.252CS..Hα-helixtrans-66.3-40.5179.9-81.8-101.5000111.9L10 C55 N56 R61 K63 P64 V67 L98 C101 A102 H105 V107L10-F59 HydrophobicContact CD2-CE2 4.29Å; L10-F59 HydrophobicContact CD2-CZ 4.34Å; C55-F59 WeakPolarHBondContact O-CD2 3.41Å; C55-F59 PolarHBondContact O-N 2.66Å; N56-F59 PolarHBondContact O-N 3.07Å; F59-R61 VanDerWaalsContact C-N 3.3Å; F59-R61 PolarHBondContact O-N 3.03Å; F59-K63 VanDerWaalsContact O-CA 3.27Å; F59-K63 WeakPolarHBondContact O-CA 3.23Å; F59-K63 PolarHBondContact O-N 2.85Å; F59-P64 HydrophobicContact CD1-CG 3.52Å; F59-P64 HydrophobicContact CE1-CG 3.7Å; F59-P64 HydrophobicContact CG-CG 4.36Å; F59-V67 HydrophobicContact CE1-CG2 4.02Å; F59-V67 HydrophobicContact CZ-CG2 4.17Å; F59-L98 HydrophobicContact CE2-CG 4.35Å; F59-L98 HydrophobicContact CZ-CD2 4.21Å; F59-L98 HydrophobicContact CZ-CG 4.15Å; F59-C101 HydrophobicContact CB-CB 4.41Å; F59-C101 HydrophobicContact CD1-CB 4.18Å; F59-C101 HydrophobicContact CD2-CB 3.43Å; F59-C101 VanDerWaalsContact CD2-CB 3.43Å; F59-C101 HydrophobicContact CE1-CB 4.3Å; F59-C101 HydrophobicContact CE2-CB 3.56Å; F59-C101 HydrophobicContact CG-CB 3.76Å; F59-C101 HydrophobicContact CZ-CB 4.01Å; F59-A102 VanDerWaalsContact CE1-CA 3.48Å; F59-A102 HydrophobicContact CE1-CB 3.88Å; F59-A102 HydrophobicContact CZ-CB 4.12Å; F59-H105 VanDerWaalsContact CB-CE1 3.42Å; F59-H105 WeakPolarHBondContact CB-CE1 3.3Å; F59-H105 HydrophobicContact CD1-CB 4.07Å; F59-V107 HydrophobicContact CD1-CG2 4.45Å; F59-V107 HydrophobicContact CE1-CG2 4.08Å
60D97.9Very high98.2Very high99 Ų9953.4 Ų53.453%0.52926%0.255SS..Hα-helixtrans-59.1-41.1174.4-78.4-39.1000112.2N56 K63 H105N56-D60 PolarHBondContact O-N 3.3Å; D60-K63 WeakPolarHBondContact O-CE 3.2Å; D60-K63 WeakPolarHBondContact O-CG 3.47Å; D60-H105 PolarHBondContact N-NE2 2.93Å; D60-H105 IonicContact OD1-NE2 3.5Å; D60-H105 PolarHBondContact OD1-NE2 3.42Å
61R97.7Very high98.2Very high183 Ų18352 Ų5269%0.69125%0.247SC*.Hα-helixtrans-71.4-50-177.5177.2177.3-179.2177.80112.4K57 V58 F59K57-R61 WeakPolarHBondContact O-CB 3.45Å; K57-R61 PolarHBondContact O-N 3.02Å; K57-R61 VanDerWaalsContact O-N 3.11Å; V58-R61 PolarHBondContact O-N 3.32Å; F59-R61 VanDerWaalsContact C-N 3.3Å; F59-R61 PolarHBondContact O-N 3.03Å
62Y97.2Very high98.2Very high54 Ų5451.5 Ų51.521%0.21225%0.246CC..Hα-helixtrans-96.7-19.6-169.9-65.3-68.3000113.6L10 V40 L42 V58L10-Y62 HydrophobicContact CD1-CD2 4.28Å; V40-Y62 HydrophobicContact CB-CD1 4.35Å; V40-Y62 HydrophobicContact CG1-CD1 3.76Å; V40-Y62 HydrophobicContact CG1-CD2 4.06Å; V40-Y62 HydrophobicContact CG1-CE1 3.65Å; V40-Y62 HydrophobicContact CG1-CE2 3.99Å; V40-Y62 HydrophobicContact CG1-CG 3.95Å; V40-Y62 HydrophobicContact CG2-CD1 3.74Å; V40-Y62 HydrophobicContact CG2-CE1 4.15Å; V40-Y62 HydrophobicContact CG2-CG 4.28Å; L42-Y62 HydrophobicContact CD2-CE2 3.88Å; V58-Y62 HydrophobicContact CG1-CD2 4.08Å; V58-Y62 VanDerWaalsContact O-CD2 3.3Å; V58-Y62 WeakPolarHBondContact O-CD2 3.49Å; V58-Y62 PolarHBondContact O-N 2.92Å
63K97.2Very high98Very high154 Ų15451.9 Ų51.967%0.6724%0.244SC*.  trans45.557.8179-58.2-177.2-179.8-178.70112.3F59 D60F59-K63 VanDerWaalsContact O-CA 3.27Å; F59-K63 WeakPolarHBondContact O-CA 3.23Å; F59-K63 PolarHBondContact O-N 2.85Å; D60-K63 WeakPolarHBondContact O-CE 3.2Å; D60-K63 WeakPolarHBondContact O-CG 3.47Å
64P97.8Very high97.7Very high5 Ų549.5 Ų49.53%0.03224%0.238CC..  trans-58.9146.7-17725.6-33.5000112V8 L10 F59 V67 V107V8-P64 WeakPolarHBondContact O-CA 3.26Å; L10-P64 HydrophobicContact CB-CB 3.78Å; L10-P64 HydrophobicContact CB-CG 4.25Å; L10-P64 HydrophobicContact CD2-CG 4.17Å; F59-P64 HydrophobicContact CD1-CG 3.52Å; F59-P64 HydrophobicContact CE1-CG 3.7Å; F59-P64 HydrophobicContact CG-CG 4.36Å; P64-V67 HydrophobicContact CB-CG2 4.14Å; P64-V67 HydrophobicContact CG-CG2 4.18Å; P64-V107 HydrophobicContact CB-CG2 4.39Å; P64-V107 HydrophobicContact CG-CG2 3.98Å; P64-V107 WeakPolarHBondContact O-CG2 3.33Å
65T97.1Very high96.9Very high62 Ų6246.6 Ų46.638%0.3823%0.228SC..SBendtrans-96.3-29.2167.543.30000111A7 V8A7-T65 WeakPolarHBondContact CA-OG1 3.49Å; A7-T65 HydrophobicContact CB-CG2 4.4Å; A7-T65 WeakPolarHBondContact CB-OG1 3.47Å; V8-T65 PolarHBondContact N-OG1 3.22Å; V8-T65 PolarHBondContact O-N 3.12Å; V8-T65 PolarHBondContact O-OG1 3.48Å
66E97.9Very high95.9Very high25 Ų2546.8 Ų46.812%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-137.8152.3174.9-48.892.2153.400110.7V8 V9 L10 R37 K109 L232V8-E66 PolarHBondContact O-N 3.42Å; V9-E66 WeakPolarHBondContact CA-O 3.29Å; V9-E66 HydrophobicContact CG2-CB 4.36Å; L10-E66 PolarHBondContact N-O 2.93Å; R37-E66 IonicContact CZ-OE1 3.63Å; R37-E66 IonicContact NE-OE1 3.71Å; R37-E66 PolarHBondContact NE-OE1 3.34Å; R37-E66 IonicContact NE-OE2 2.68Å; R37-E66 IonicContact NH2-OE1 3.38Å; R37-E66 PolarHBondContact NH2-OE1 3.46Å; R37-E66 VanDerWaalsContact NH2-OE1 3.15Å; E66-K109 WeakPolarHBondContact CA-O 3.44Å; E66-K109 HydrophobicContact CB-CB 4.37Å; E66-K109 HydrophobicContact CG-CB 4.15Å; E66-L232 HydrophobicContact CB-CD1 3.92Å
67V98.8Very high94.9Very high0 Ų049.3 Ų49.30%024%0.243CC..EExtended strand (participates in β ladder)trans-129.2135.3179.7178.20000111.1L10 F59 P64 L98 V107 K109 V110 I111L10-V67 HydrophobicContact CB-CG2 4.23Å; L10-V67 CarbonylContact O-C 3.59Å; L10-V67 WeakPolarHBondContact O-CA 3.26Å; F59-V67 HydrophobicContact CE1-CG2 4.02Å; F59-V67 HydrophobicContact CZ-CG2 4.17Å; P64-V67 HydrophobicContact CB-CG2 4.14Å; P64-V67 HydrophobicContact CG-CG2 4.18Å; V67-L98 HydrophobicContact CG1-CD1 4.37Å; V67-L98 HydrophobicContact CG1-CD2 4Å; V67-V107 HydrophobicContact CB-CG1 4.44Å; V67-V107 HydrophobicContact CG2-CG1 3.84Å; V67-V107 HydrophobicContact CG2-CG2 4.27Å; V67-K109 PolarHBondContact N-O 3.49Å; V67-V110 HydrophobicContact CB-CG1 4.35Å; V67-V110 HydrophobicContact CB-CG2 4.17Å; V67-V110 HydrophobicContact CG1-CG1 4.43Å; V67-V110 CarbonylContact O-C 3.56Å; V67-V110 WeakPolarHBondContact O-CA 3.48Å; V67-I111 PolarHBondContact O-N 3.07Å
68I98.8Very high94Very high0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-105.6115.9161.8-55.9178.5000108.1V9 L10 V11 T12 I22 W39 L70 I111 I228 L232V9-I68 HydrophobicContact CG1-CD1 4.25Å; V9-I68 HydrophobicContact CG1-CG1 4.15Å; L10-I68 PolarHBondContact O-N 2.97Å; V11-I68 WeakPolarHBondContact CA-O 3.44Å; V11-I68 HydrophobicContact CG1-CB 4.33Å; V11-I68 HydrophobicContact CG1-CG2 4.48Å; V11-I68 HydrophobicContact CG2-CB 4.24Å; V11-I68 HydrophobicContact CG2-CD1 4.2Å; T12-I68 PolarHBondContact N-O 3.19Å; I22-I68 HydrophobicContact CD1-CD1 4.14Å; I22-I68 HydrophobicContact CD1-CG2 4.15Å; W39-I68 HydrophobicContact CH2-CD1 4.4Å; W39-I68 HydrophobicContact CZ3-CD1 3.8Å; I68-L70 HydrophobicContact CG2-CD1 4.33Å; I68-L70 HydrophobicContact CG2-CD2 3.66Å; I68-L70 HydrophobicContact CG2-CG 3.83Å; I68-I111 CarbonylContact C-O 3.57Å; I68-I111 WeakPolarHBondContact CA-O 3.3Å; I68-I228 HydrophobicContact CD1-CG2 3.91Å; I68-I228 HydrophobicContact CG1-CG2 4.45Å; I68-I228 HydrophobicContact CG2-CG2 3.75Å; I68-L232 HydrophobicContact CD1-CD2 4.06Å; I68-L232 HydrophobicContact CG1-CD1 4.24Å; I68-L232 HydrophobicContact CG1-CD2 4.15Å
69H98.8Very high93.3Very high0 Ų050.8 Ų50.80%025%0.252CS..EExtended strand (participates in β ladder)trans-100.196.6-178.6179.738.5000112.9T12 A71 N95 L98 V110 I111 C113T12-H69 VanDerWaalsContact OG1-CA 3.31Å; T12-H69 WeakPolarHBondContact OG1-CA 3.46Å; T12-H69 PolarHBondContact OG1-ND1 3.41Å; H69-A71 PolarHBondContact CE1-O 2.96Å; H69-N95 PolarHBondContact NE2-OD1 3.21Å; H69-N95 VanDerWaalsContact NE2-OD1 3.08Å; H69-L98 HydrophobicContact CB-CD1 3.62Å; H69-L98 WeakPolarHBondContact ND1-CD1 3.41Å; H69-V110 HydrophobicContact CB-CG1 4.5Å; H69-I111 PolarHBondContact N-O 3.36Å; H69-C113 PolarHBondContact O-N 3.06Å
70L98.7Very high92.7Very high24 Ų2451.2 Ų51.213%0.12626%0.255CS..  trans-108.4-16.9176.8-42.9172.5000113.2V11 T12 I18 I22 I68 A72 C113 I228V11-L70 HydrophobicContact CG1-CD1 3.85Å; V11-L70 HydrophobicContact CG1-CG 4.43Å; T12-L70 WeakPolarHBondContact O-CA 3.39Å; T12-L70 WeakPolarHBondContact O-CB 3.38Å; T12-L70 PolarHBondContact O-N 3.35Å; T12-L70 VanDerWaalsContact O-N 3.15Å; T12-L70 PolarHBondContact OG1-N 3.45Å; I18-L70 HydrophobicContact CB-CD1 4.04Å; I18-L70 HydrophobicContact CG2-CD1 3.73Å; I18-L70 HydrophobicContact CG2-CD2 3.98Å; I18-L70 HydrophobicContact CG2-CG 4.46Å; I22-L70 HydrophobicContact CD1-CD1 3.85Å; I68-L70 HydrophobicContact CG2-CD1 4.33Å; I68-L70 HydrophobicContact CG2-CD2 3.66Å; I68-L70 HydrophobicContact CG2-CG 3.83Å; L70-A72 PolarHBondContact O-N 3.42Å; L70-C113 HydrophobicContact CD2-CB 3.8Å; L70-I228 HydrophobicContact CD2-CD1 4.18Å
71A98.3Very high92.2Very high12 Ų1251.4 Ų51.410%0.09926%0.255CS..  trans-60.2133.418000000110.5T12 L49 H69 M94T12-A71 PolarHBondContact O-N 2.7Å; T12-A71 PolarHBondContact OG1-N 3.02Å; L49-A71 HydrophobicContact CD1-CB 3.71Å; H69-A71 PolarHBondContact CE1-O 2.96Å; A71-M94 HydrophobicContact CB-SD 3.49Å; A71-M94 WeakPolarHBondContact CB-SD 3.46Å; A71-M94 VanDerWaalsContact O-SD 3.42Å
72A97.7Very high91.8Very high25 Ų2545.5 Ų45.521%0.20725%0.251CS..  trans-161.9154.3176.700000109.6L70 V74 N91L70-A72 PolarHBondContact O-N 3.42Å; A72-V74 HydrophobicContact CB-CG1 3.67Å; A72-V74 PolarHBondContact O-N 2.99Å; A72-N91 WeakPolarHBondContact CA-OD1 3.43Å; A72-N91 WeakPolarHBondContact CB-OD1 3.45Å
73K95.5Very high91.6Very high77 Ų7746.7 Ų46.734%0.33526%0.261SS..  trans-76.2105.6159.9177.958.8174.7157.90107.4F87 Q90 N91 Y144K73-F87 HydrophobicContact CG-CD1 3.96Å; K73-F87 HydrophobicContact CG-CE1 4.04Å; K73-F87 HydrophobicContact CG-CG 4.33Å; K73-F87 HydrophobicContact CG-CZ 4.45Å; K73-F87 VanDerWaalsContact O-CD1 3.23Å; K73-F87 WeakPolarHBondContact O-CD1 3.25Å; K73-F87 WeakPolarHBondContact O-CE1 3.46Å; K73-Q90 HydrophobicContact CB-CB 4.06Å; K73-Q90 VanDerWaalsContact CG-OE1 3.29Å; K73-N91 PolarHBondContact N-OD1 3.04Å; K73-N91 PolarHBondContact O-ND2 3.35Å; K73-Y144 WeakPolarHBondContact O-CD2 3.42Å
74V91.2Very high91.5Very high74 Ų7440.9 Ų40.945%0.44824%0.237SC..  trans-115.4161.3-177.2-61.90000111.7A72 Y144A72-V74 HydrophobicContact CB-CG1 3.67Å; A72-V74 PolarHBondContact O-N 2.99Å; V74-Y144 HydrophobicContact CG1-CE2 4.27Å
75G82.6Confident91.5Very high14 Ų1446.6 Ų46.614%0.14427%0.267CS..  trans178.1165.1175.500000110.6N80G75-N80 PolarHBondContact O-ND2 2.89Å
76G78Confident91.5Very high4 Ų447 Ų474%0.04127%0.267CS..  trans-69.1-176.5174.300000113.3F78 A79 N80 E185G76-F78 PolarHBondContact O-N 3.31Å; G76-A79 PolarHBondContact O-N 3.47Å; G76-N80 PolarHBondContact O-N 3.32Å; G76-N80 VanDerWaalsContact O-N 3.12Å; G76-N80 PolarHBondContact O-ND2 2.7Å; G76-E185 WeakPolarHBondContact CA-O 3.27Å; G76-E185 PolarHBondContact N-O 3.49Å
77L77.3Confident91.5Very high97 Ų9746 Ų4651%0.50826%0.262SS..Hα-helixtrans-53.4-49.4-176.6179.563.2000112.5N80 L81 S140L77-N80 PolarHBondContact O-N 2.97Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 3.3Å; L77-S140 WeakPolarHBondContact CD1-OG 3.49Å
78F77.9Confident91.4Very high140 Ų14049.7 Ų49.761%0.61428%0.278SS*.Hα-helixtrans-67.8-39.2-176.9-60.8-68.9000112.7G76 N80 L81 G82G76-F78 PolarHBondContact O-N 3.31Å; F78-N80 PolarHBondContact O-N 3.47Å; F78-L81 PolarHBondContact O-N 3.45Å; F78-G82 PolarHBondContact O-N 2.96Å; F78-G82 VanDerWaalsContact O-N 3.15Å
79A83.9Confident91.4Very high17 Ų1758 Ų5814%0.1431%0.309CS..Hα-helixtrans-62.5-43.7177.400000111.6G76 N83 F87G76-A79 PolarHBondContact O-N 3.47Å; A79-N83 WeakPolarHBondContact O-CB 3.44Å; A79-N83 PolarHBondContact O-N 2.86Å; A79-N83 PolarHBondContact O-ND2 3.06Å; A79-N83 VanDerWaalsContact O-ND2 3.11Å; A79-F87 HydrophobicContact CB-CZ 4.32Å; A79-F87 VanDerWaalsContact O-CE2 3.31Å; A79-F87 WeakPolarHBondContact O-CE2 3.33Å
80N87.2Confident91.4Very high10 Ų1061 Ų615%0.05332%0.324CS..Hα-helixtrans-63.7-48.5176-80.4-91.4000111.6G75 G76 L77 F78 G82 N83 N84 F87 S140 N141 Y144G75-N80 PolarHBondContact O-ND2 2.89Å; G76-N80 PolarHBondContact O-N 3.32Å; G76-N80 VanDerWaalsContact O-N 3.12Å; G76-N80 PolarHBondContact O-ND2 2.7Å; L77-N80 PolarHBondContact O-N 2.97Å; F78-N80 PolarHBondContact O-N 3.47Å; N80-G82 VanDerWaalsContact C-N 3.28Å; N80-G82 PolarHBondContact O-N 3.3Å; N80-N83 CarbonylContact O-C 3.52Å; N80-N83 PolarHBondContact O-N 2.79Å; N80-N84 PolarHBondContact O-N 3.47Å; N80-N84 PolarHBondContact O-ND2 2.98Å; N80-F87 VanDerWaalsContact OD1-CD1 3.31Å; N80-F87 WeakPolarHBondContact OD1-CD1 3.31Å; N80-F87 WeakPolarHBondContact OD1-CE1 3.31Å; N80-S140 CarbonylContact C-O 3.58Å; N80-N141 HydrophobicContact CB-CB 3.77Å; N80-Y144 VanDerWaalsContact OD1-CB 3.31Å; N80-Y144 WeakPolarHBondContact OD1-CB 3.19Å
81L86.6Confident91.4Very high102 Ų10259.9 Ų59.953%0.53432%0.318SS..Hα-helixtrans-55.5-45.4-177.1-171.271.3000111.4L77 F78 N83 N84 S140L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 3.3Å; F78-L81 PolarHBondContact O-N 3.45Å; L81-N83 VanDerWaalsContact C-N 3.31Å; L81-N83 PolarHBondContact O-N 3.18Å; L81-N84 PolarHBondContact O-ND2 3.2Å; L81-S140 VanDerWaalsContact CA-O 3.24Å; L81-S140 WeakPolarHBondContact CA-O 3.31Å; L81-S140 PolarHBondContact N-O 2.87Å
82G89.3Confident91.4Very high60 Ų6061.5 Ų61.562%0.61932%0.324SS*.Hα-helixtrans-74.2-13.118000000115.5F78 N80F78-G82 PolarHBondContact O-N 2.96Å; F78-G82 VanDerWaalsContact O-N 3.15Å; N80-G82 VanDerWaalsContact C-N 3.28Å; N80-G82 PolarHBondContact O-N 3.3Å
83N93.4Very high91.5Very high78 Ų7861.8 Ų61.842%0.41733%0.326SS..Hα-helixtrans-139.925.8-168.4-64-79.1000114.1A79 N80 L81 L85 L86 F87A79-N83 WeakPolarHBondContact O-CB 3.44Å; A79-N83 PolarHBondContact O-N 2.86Å; A79-N83 PolarHBondContact O-ND2 3.06Å; A79-N83 VanDerWaalsContact O-ND2 3.11Å; N80-N83 CarbonylContact O-C 3.52Å; N80-N83 PolarHBondContact O-N 2.79Å; L81-N83 VanDerWaalsContact C-N 3.31Å; L81-N83 PolarHBondContact O-N 3.18Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 3.29Å; N83-L86 HydrophobicContact CB-CB 4.25Å; N83-L86 WeakPolarHBondContact O-CA 3.34Å; N83-L86 WeakPolarHBondContact O-CB 3.45Å; N83-L86 PolarHBondContact O-N 3.5Å; N83-F87 HydrophobicContact CB-CD2 3.76Å; N83-F87 HydrophobicContact CB-CE2 3.86Å; N83-F87 WeakPolarHBondContact O-CD2 3.5Å; N83-F87 PolarHBondContact O-N 3.34Å
84N94.8Very high91.6Very high32 Ų3259.1 Ų59.117%0.17132%0.315CS..Hα-helixtrans-45.7-45.3-174.3-93.5-72.5000114.1N80 L81 L86 F87 F88 S140 N141 M142 G143N80-N84 PolarHBondContact O-N 3.47Å; N80-N84 PolarHBondContact O-ND2 2.98Å; L81-N84 PolarHBondContact O-ND2 3.2Å; N84-L86 PolarHBondContact O-N 3.12Å; N84-F87 PolarHBondContact O-N 3.12Å; N84-F88 PolarHBondContact O-N 3.33Å; N84-S140 PolarHBondContact ND2-O 2.96Å; N84-N141 VanDerWaalsContact OD1-C 3.29Å; N84-N141 WeakPolarHBondContact OD1-CA 3.31Å; N84-M142 PolarHBondContact OD1-N 3.4Å; N84-G143 WeakPolarHBondContact O-CA 3.49Å; N84-G143 PolarHBondContact OD1-N 3.28Å
85L97.5Very high92Very high125 Ų12555.6 Ų55.665%0.65429%0.294SS*.Hα-helixtrans-62.2-43.1177.9178.361000112.7N83 F88 R89N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 3.29Å; L85-F88 PolarHBondContact O-N 3.15Å; L85-R89 HydrophobicContact CD1-CG 3.99Å; L85-R89 HydrophobicContact CG-CG 4.44Å; L85-R89 WeakPolarHBondContact O-CG 3.48Å; L85-R89 PolarHBondContact O-N 3.11Å
86L97.3Very high92.8Very high72 Ų7258.6 Ų58.638%0.37731%0.307SS..Hα-helixtrans-65.4-45.2178.9-179.465.9000110.8N83 N84 F88 R89 Q90N83-L86 HydrophobicContact CB-CB 4.25Å; N83-L86 WeakPolarHBondContact O-CA 3.34Å; N83-L86 WeakPolarHBondContact O-CB 3.45Å; N83-L86 PolarHBondContact O-N 3.5Å; N84-L86 PolarHBondContact O-N 3.12Å; L86-F88 VanDerWaalsContact C-N 3.3Å; L86-F88 PolarHBondContact O-N 3.43Å; L86-R89 PolarHBondContact O-N 3.29Å; L86-Q90 HydrophobicContact CD1-CG 3.89Å; L86-Q90 HydrophobicContact CG-CG 4.45Å; L86-Q90 WeakPolarHBondContact O-CB 3.31Å; L86-Q90 PolarHBondContact O-N 3.4Å
87F97.2Very high93.7Very high3 Ų359 Ų591%0.01331%0.308CS..Hα-helixtrans-57.8-43.1175-85.4-92.8000111.4K73 A79 N80 N83 N84 N91 Y144K73-F87 HydrophobicContact CG-CD1 3.96Å; K73-F87 HydrophobicContact CG-CE1 4.04Å; K73-F87 HydrophobicContact CG-CG 4.33Å; K73-F87 HydrophobicContact CG-CZ 4.45Å; K73-F87 VanDerWaalsContact O-CD1 3.23Å; K73-F87 WeakPolarHBondContact O-CD1 3.25Å; K73-F87 WeakPolarHBondContact O-CE1 3.46Å; A79-F87 HydrophobicContact CB-CZ 4.32Å; A79-F87 VanDerWaalsContact O-CE2 3.31Å; A79-F87 WeakPolarHBondContact O-CE2 3.33Å; N80-F87 VanDerWaalsContact OD1-CD1 3.31Å; N80-F87 WeakPolarHBondContact OD1-CD1 3.31Å; N80-F87 WeakPolarHBondContact OD1-CE1 3.31Å; N83-F87 HydrophobicContact CB-CD2 3.76Å; N83-F87 HydrophobicContact CB-CE2 3.86Å; N83-F87 WeakPolarHBondContact O-CD2 3.5Å; N83-F87 PolarHBondContact O-N 3.34Å; N84-F87 PolarHBondContact O-N 3.12Å; F87-N91 VanDerWaalsContact O-CB 3.31Å; F87-N91 WeakPolarHBondContact O-CB 2.87Å; F87-N91 PolarHBondContact O-N 2.81Å; F87-N91 PolarHBondContact O-ND2 2.87Å; F87-Y144 HydrophobicContact CD1-CD2 4.07Å
88F98.3Very high94.8Very high77 Ų7754.4 Ų54.434%0.33828%0.284SS..Hα-helixtrans-62.6-56.2175.5-178.1-99.3000111.8N84 L85 L86 Q90 N91 M92 G143 A147N84-F88 PolarHBondContact O-N 3.33Å; L85-F88 PolarHBondContact O-N 3.15Å; L86-F88 VanDerWaalsContact C-N 3.3Å; L86-F88 PolarHBondContact O-N 3.43Å; F88-Q90 PolarHBondContact O-N 3.14Å; F88-N91 PolarHBondContact O-N 2.72Å; F88-M92 HydrophobicContact CD1-CG 4.31Å; F88-M92 HydrophobicContact CD2-CG 4.19Å; F88-M92 HydrophobicContact CE1-CG 3.98Å; F88-M92 HydrophobicContact CE2-CG 3.85Å; F88-M92 HydrophobicContact CE2-SD 4.37Å; F88-M92 HydrophobicContact CG-CG 4.41Å; F88-M92 HydrophobicContact CZ-CG 3.73Å; F88-M92 HydrophobicContact CZ-SD 4.46Å; F88-M92 WeakPolarHBondContact O-CB 3.4Å; F88-M92 WeakPolarHBondContact O-CG 3.47Å; F88-M92 PolarHBondContact O-N 3.42Å; F88-G143 WeakPolarHBondContact CA-O 3.27Å; F88-G143 WeakPolarHBondContact CD2-O 3.27Å; F88-A147 HydrophobicContact CD2-CB 4.2Å
89R98.5Very high95.8Very high174 Ų17447.8 Ų47.866%0.65726%0.255SS*.Hα-helixtrans-61.1-46.7-173.7-71.6-175.670.494.24.7112.7L85 L86 A93L85-R89 HydrophobicContact CD1-CG 3.99Å; L85-R89 HydrophobicContact CG-CG 4.44Å; L85-R89 WeakPolarHBondContact O-CG 3.48Å; L85-R89 PolarHBondContact O-N 3.11Å; L86-R89 PolarHBondContact O-N 3.29Å; R89-A93 WeakPolarHBondContact O-CB 3.19Å; R89-A93 PolarHBondContact O-N 3.19Å
90Q98.4Very high96.4Very high64 Ų6450 Ų5030%0.29926%0.262SS..Hα-helixtrans-69.7-42.3-177.3-73.2-170.5-2500112.2T50 K73 L86 F88 M94T50-Q90 HydrophobicContact CG2-CB 4.26Å; T50-Q90 HydrophobicContact CG2-CG 4.39Å; K73-Q90 HydrophobicContact CB-CB 4.06Å; K73-Q90 VanDerWaalsContact CG-OE1 3.29Å; L86-Q90 HydrophobicContact CD1-CG 3.89Å; L86-Q90 HydrophobicContact CG-CG 4.45Å; L86-Q90 WeakPolarHBondContact O-CB 3.31Å; L86-Q90 PolarHBondContact O-N 3.4Å; F88-Q90 PolarHBondContact O-N 3.14Å; Q90-M94 VanDerWaalsContact O-CB 3.24Å; Q90-M94 WeakPolarHBondContact O-CB 3.37Å; Q90-M94 PolarHBondContact O-N 2.73Å
91N98.7Very high97Very high0 Ų049.5 Ų49.50%026%0.259CS..Hα-helixtrans-68.7-40.2177.7-73.8-62.9000111.3A72 K73 F87 F88 M94 N95 A147A72-N91 WeakPolarHBondContact CA-OD1 3.43Å; A72-N91 WeakPolarHBondContact CB-OD1 3.45Å; K73-N91 PolarHBondContact N-OD1 3.04Å; K73-N91 PolarHBondContact O-ND2 3.35Å; F87-N91 VanDerWaalsContact O-CB 3.31Å; F87-N91 WeakPolarHBondContact O-CB 2.87Å; F87-N91 PolarHBondContact O-N 2.81Å; F87-N91 PolarHBondContact O-ND2 2.87Å; F88-N91 PolarHBondContact O-N 2.72Å; N91-M94 PolarHBondContact O-N 2.72Å; N91-N95 VanDerWaalsContact O-CB 3.23Å; N91-N95 WeakPolarHBondContact O-CB 3.44Å; N91-N95 PolarHBondContact O-N 2.74Å; N91-N95 PolarHBondContact O-ND2 3.28Å; N91-N95 VanDerWaalsContact O-ND2 3.15Å; N91-N95 PolarHBondContact O-OD1 3.18Å; N91-A147 HydrophobicContact CB-CB 3.63Å
92M98.6Very high97.6Very high46 Ų4644.6 Ų44.623%0.22723%0.234CC..Hα-helixtrans-59.1-50.3174.1-76.9-56.9-57.800111.7F88 M94 N95 D96 A147 M150F88-M92 HydrophobicContact CD1-CG 4.31Å; F88-M92 HydrophobicContact CD2-CG 4.19Å; F88-M92 HydrophobicContact CE1-CG 3.98Å; F88-M92 HydrophobicContact CE2-CG 3.85Å; F88-M92 HydrophobicContact CE2-SD 4.37Å; F88-M92 HydrophobicContact CG-CG 4.41Å; F88-M92 HydrophobicContact CZ-CG 3.73Å; F88-M92 HydrophobicContact CZ-SD 4.46Å; F88-M92 WeakPolarHBondContact O-CB 3.4Å; F88-M92 WeakPolarHBondContact O-CG 3.47Å; F88-M92 PolarHBondContact O-N 3.42Å; M92-M94 VanDerWaalsContact C-N 3.35Å; M92-M94 PolarHBondContact O-N 3.02Å; M92-N95 PolarHBondContact O-N 3.02Å; M92-D96 WeakPolarHBondContact O-CB 3.45Å; M92-D96 PolarHBondContact O-N 2.85Å; M92-A147 HydrophobicContact CG-CB 3.98Å; M92-A147 HydrophobicContact SD-CB 4.06Å; M92-M150 HydrophobicContact CE-CB 3.93Å; M92-M150 HydrophobicContact CE-CG 4.35Å; M92-M150 HydrophobicContact SD-CB 3.61Å; M92-M150 HydrophobicContact SD-CG 4.02Å
93A98.7Very high98Very high32 Ų3243.2 Ų43.226%0.26421%0.211SC..Hα-helixtrans-59.8-44.4178.400000112.1R89 N97R89-A93 WeakPolarHBondContact O-CB 3.19Å; R89-A93 PolarHBondContact O-N 3.19Å; A93-N97 VanDerWaalsContact O-CB 3.23Å; A93-N97 WeakPolarHBondContact O-CB 3.48Å; A93-N97 PolarHBondContact O-N 2.84Å; A93-N97 PolarHBondContact O-ND2 3.22Å; A93-N97 VanDerWaalsContact O-ND2 3.1Å
94M98.7Very high98.2Very high21 Ų2144.8 Ų44.810%0.10322%0.216CC..Hα-helixtrans-64.7-46.5179.9-174.3175.3-55.400112.8L49 T50 A71 Q90 N91 M92 L98L49-M94 HydrophobicContact CB-CE 4.39Å; L49-M94 HydrophobicContact CB-CG 3.7Å; L49-M94 HydrophobicContact CB-SD 4.29Å; L49-M94 HydrophobicContact CD1-CG 4.46Å; T50-M94 HydrophobicContact CG2-CE 4.04Å; A71-M94 HydrophobicContact CB-SD 3.49Å; A71-M94 WeakPolarHBondContact CB-SD 3.46Å; A71-M94 VanDerWaalsContact O-SD 3.42Å; Q90-M94 VanDerWaalsContact O-CB 3.24Å; Q90-M94 WeakPolarHBondContact O-CB 3.37Å; Q90-M94 PolarHBondContact O-N 2.73Å; N91-M94 PolarHBondContact O-N 2.72Å; M92-M94 VanDerWaalsContact C-N 3.35Å; M92-M94 PolarHBondContact O-N 3.02Å; M94-L98 WeakPolarHBondContact O-CB 3.39Å; M94-L98 PolarHBondContact O-N 3.19Å; M94-L98 VanDerWaalsContact O-N 3.09Å
95N98.7Very high98.4Very high0 Ų045.7 Ų45.70%022%0.219CC..Hα-helixtrans-65.5-45.7-179.5-65.2-15.3000110.8H69 N91 M92 L98 L99 A147 L151 M154H69-N95 PolarHBondContact NE2-OD1 3.21Å; H69-N95 VanDerWaalsContact NE2-OD1 3.08Å; N91-N95 VanDerWaalsContact O-CB 3.23Å; N91-N95 WeakPolarHBondContact O-CB 3.44Å; N91-N95 PolarHBondContact O-N 2.74Å; N91-N95 PolarHBondContact O-ND2 3.28Å; N91-N95 VanDerWaalsContact O-ND2 3.15Å; N91-N95 PolarHBondContact O-OD1 3.18Å; M92-N95 PolarHBondContact O-N 3.02Å; N95-L98 PolarHBondContact O-N 2.66Å; N95-L99 WeakPolarHBondContact O-CG 3.25Å; N95-L99 PolarHBondContact O-N 3.39Å; N95-A147 PolarHBondContact ND2-O 3.16Å; N95-L151 HydrophobicContact CB-CD1 4.11Å; N95-M154 HydrophobicContact CB-CE 3.63Å
96D98.8Very high98.3Very high77 Ų7747.8 Ų47.841%0.41222%0.223SC..Hα-helixtrans-61.6-52.9178.5-177.655.8000111.1M92 L98 L99 H100 M154M92-D96 WeakPolarHBondContact O-CB 3.45Å; M92-D96 PolarHBondContact O-N 2.85Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.07Å; D96-L99 PolarHBondContact O-N 3.01Å; D96-H100 WeakPolarHBondContact O-CB 3.44Å; D96-H100 PolarHBondContact O-N 3.16Å; D96-M154 HydrophobicContact CB-SD 4.48Å
97N98.8Very high98.4Very high13 Ų1344.3 Ų44.37%0.0721%0.205CC..Hα-helixtrans-55-46.8178.3-71.2-20.4000111.7L49 T50 L52 C55 A93 C101L49-N97 PolarHBondContact O-ND2 3.13Å; T50-N97 PolarHBondContact O-ND2 2.89Å; L52-N97 WeakPolarHBondContact CB-OD1 3.33Å; L52-N97 HydrophobicContact CD1-CB 4.28Å; L52-N97 PolarHBondContact N-ND2 2.9Å; C55-N97 HydrophobicContact CB-CB 4.12Å; A93-N97 VanDerWaalsContact O-CB 3.23Å; A93-N97 WeakPolarHBondContact O-CB 3.48Å; A93-N97 PolarHBondContact O-N 2.84Å; A93-N97 PolarHBondContact O-ND2 3.22Å; A93-N97 VanDerWaalsContact O-ND2 3.1Å; N97-C101 WeakPolarHBondContact O-CB 3.48Å; N97-C101 PolarHBondContact O-N 3.14Å; N97-C101 PolarHBondContact O-SG 3.34Å
98L98.7Very high98.2Very high0 Ų049.5 Ų49.50%023%0.229CC..Hα-helixtrans-66.9-52.1-176.8-173.3170.6000111.4T12 F59 V67 H69 M94 N95 D96 H100 C101 A102 V110T12-L98 HydrophobicContact CG2-CD1 3.75Å; F59-L98 HydrophobicContact CE2-CG 4.35Å; F59-L98 HydrophobicContact CZ-CD2 4.21Å; F59-L98 HydrophobicContact CZ-CG 4.15Å; V67-L98 HydrophobicContact CG1-CD1 4.37Å; V67-L98 HydrophobicContact CG1-CD2 4Å; H69-L98 HydrophobicContact CB-CD1 3.62Å; H69-L98 WeakPolarHBondContact ND1-CD1 3.41Å; M94-L98 WeakPolarHBondContact O-CB 3.39Å; M94-L98 PolarHBondContact O-N 3.19Å; M94-L98 VanDerWaalsContact O-N 3.09Å; N95-L98 PolarHBondContact O-N 2.66Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.07Å; L98-H100 VanDerWaalsContact C-N 3.26Å; L98-H100 PolarHBondContact O-N 3.37Å; L98-C101 PolarHBondContact O-N 2.66Å; L98-A102 HydrophobicContact CD2-CB 4.38Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.85Å; L98-V110 HydrophobicContact CD2-CG1 4.43Å
99L98.7Very high98.2Very high0 Ų046.3 Ų46.30%022%0.215CC..Hα-helixtrans-63.3-36.4-178.4-68.6-170.7000111.5N95 D96 A102 H103 V110 L151 M154 Y158 Y166N95-L99 WeakPolarHBondContact O-CG 3.25Å; N95-L99 PolarHBondContact O-N 3.39Å; D96-L99 PolarHBondContact O-N 3.01Å; L99-A102 PolarHBondContact O-N 3.48Å; L99-H103 PolarHBondContact O-N 3.41Å; L99-V110 HydrophobicContact CD2-CB 4.4Å; L99-V110 HydrophobicContact CD2-CG1 3.9Å; L99-V110 HydrophobicContact CD2-CG2 4.44Å; L99-L151 HydrophobicContact CD1-CD1 3.61Å; L99-L151 HydrophobicContact CG-CD1 4.12Å; L99-M154 HydrophobicContact CD1-CB 3.55Å; L99-M154 HydrophobicContact CD1-CE 4.16Å; L99-M154 HydrophobicContact CD1-SD 4.42Å; L99-Y158 HydrophobicContact CB-CD2 4.17Å; L99-Y158 HydrophobicContact CB-CE2 3.59Å; L99-Y158 HydrophobicContact CD1-CD2 4.12Å; L99-Y158 HydrophobicContact CD1-CE2 4.11Å; L99-Y166 HydrophobicContact CD2-CD2 3.91Å; L99-Y166 HydrophobicContact CD2-CE2 4.17Å
100H98.6Very high98.2Very high63 Ų6338 Ų3829%0.29218%0.184SC..Hα-helixtrans-64.3-48.4173.1-178.949.3000112D96 L98 A102 H103 E104 Y158D96-H100 WeakPolarHBondContact O-CB 3.44Å; D96-H100 PolarHBondContact O-N 3.16Å; L98-H100 VanDerWaalsContact C-N 3.26Å; L98-H100 PolarHBondContact O-N 3.37Å; H100-A102 VanDerWaalsContact C-N 3.3Å; H100-A102 PolarHBondContact O-N 2.95Å; H100-H103 WeakPolarHBondContact O-CB 3.44Å; H100-H103 PolarHBondContact O-N 3.48Å; H100-E104 IonicContact CE1-OE1 3.29Å; H100-E104 PolarHBondContact CE1-OE1 2.79Å; H100-E104 IonicContact ND1-OE1 3.09Å; H100-E104 WeakPolarHBondContact O-CG 3.45Å; H100-E104 PolarHBondContact O-N 3.38Å; H100-Y158 WeakPolarHBondContact CA-OH 3.2Å
101C98.7Very high98.3Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-62.2-37.9176.9-67.50000112C55 N56 F59 N97 L98 E104 H105C55-C101 VanDerWaalsContact SG-SG 3.65Å; N56-C101 VanDerWaalsContact CG-SG 3.57Å; N56-C101 PolarHBondContact OD1-SG 2.96Å; N56-C101 VanDerWaalsContact OD1-SG 3.32Å; F59-C101 HydrophobicContact CB-CB 4.41Å; F59-C101 HydrophobicContact CD1-CB 4.18Å; F59-C101 HydrophobicContact CD2-CB 3.43Å; F59-C101 VanDerWaalsContact CD2-CB 3.43Å; F59-C101 HydrophobicContact CE1-CB 4.3Å; F59-C101 HydrophobicContact CE2-CB 3.56Å; F59-C101 HydrophobicContact CG-CB 3.76Å; F59-C101 HydrophobicContact CZ-CB 4.01Å; N97-C101 WeakPolarHBondContact O-CB 3.48Å; N97-C101 PolarHBondContact O-N 3.14Å; N97-C101 PolarHBondContact O-SG 3.34Å; L98-C101 PolarHBondContact O-N 2.66Å; C101-E104 PolarHBondContact O-N 3.42Å; C101-H105 WeakPolarHBondContact O-CB 3.4Å; C101-H105 PolarHBondContact O-N 2.93Å; C101-H105 PolarHBondContact O-ND1 3.32Å
102A98.7Very high98.3Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-60.3-44.7174.700000111.4F59 L98 L99 H100 H105 K106 V107 V110F59-A102 VanDerWaalsContact CE1-CA 3.48Å; F59-A102 HydrophobicContact CE1-CB 3.88Å; F59-A102 HydrophobicContact CZ-CB 4.12Å; L98-A102 HydrophobicContact CD2-CB 4.38Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.85Å; L99-A102 PolarHBondContact O-N 3.48Å; H100-A102 VanDerWaalsContact C-N 3.3Å; H100-A102 PolarHBondContact O-N 2.95Å; A102-H105 CarbonylContact O-C 3.54Å; A102-H105 PolarHBondContact O-N 2.93Å; A102-K106 PolarHBondContact O-N 3.14Å; A102-K106 VanDerWaalsContact O-N 3.12Å; A102-V107 HydrophobicContact CB-CB 3.94Å; A102-V107 HydrophobicContact CB-CG1 4.4Å; A102-V107 HydrophobicContact CB-CG2 4.27Å; A102-V107 WeakPolarHBondContact O-CB 3.41Å; A102-V107 PolarHBondContact O-N 2.64Å; A102-V110 HydrophobicContact CB-CG2 4.03Å
103H98.3Very high98.3Very high31 Ų3133.4 Ų33.414%0.14416%0.163CC..Hα-helixtrans-60.3-52173.6171.358.7000112.3L99 H100 H105 K106 Y158 Y162 Y164 Y166L99-H103 PolarHBondContact O-N 3.41Å; H100-H103 WeakPolarHBondContact O-CB 3.44Å; H100-H103 PolarHBondContact O-N 3.48Å; H103-H105 PolarHBondContact O-N 3.3Å; H103-K106 PolarHBondContact O-N 3.05Å; H103-Y158 HydrophobicContact CB-CD1 4.24Å; H103-Y158 HydrophobicContact CB-CE1 3.69Å; H103-Y158 AromaticContact CG-CE1 3.91Å; H103-Y162 AromaticContact CE1-CD1 3.55Å; H103-Y162 AromaticContact CE1-CD2 3.94Å; H103-Y162 AromaticContact CE1-CE1 3.33Å; H103-Y162 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y162 AromaticContact CE1-CE2 3.75Å; H103-Y162 AromaticContact CE1-CG 3.84Å; H103-Y162 AromaticContact CE1-CZ 3.43Å; H103-Y162 VanDerWaalsContact CE1-CZ 3.43Å; H103-Y162 AromaticContact NE2-CE1 3.8Å; H103-Y162 AromaticContact NE2-CZ 3.6Å; H103-Y164 HydrophobicContact CB-CE2 4.07Å; H103-Y164 AromaticContact ND1-CE2 3.32Å; H103-Y164 VanDerWaalsContact ND1-CE2 3.32Å; H103-Y164 WeakPolarHBondContact ND1-CE2 3.39Å; H103-Y164 AromaticContact ND1-CZ 3.49Å; H103-Y164 PolarHBondContact ND1-OH 2.93Å; H103-Y164 PolarHBondContact O-OH 3.35Å; H103-Y166 PolarHBondContact N-OH 2.92Å
104E98.1Very high98.2Very high110 Ų11032 Ų3251%0.51415%0.151SC..Hα-helixtrans-59-31.7-179.4-68.3-61.2128.300112.3H100 C101H100-E104 IonicContact CE1-OE1 3.29Å; H100-E104 PolarHBondContact CE1-OE1 2.79Å; H100-E104 IonicContact ND1-OE1 3.09Å; H100-E104 WeakPolarHBondContact O-CG 3.45Å; H100-E104 PolarHBondContact O-N 3.38Å; C101-E104 PolarHBondContact O-N 3.42Å
105H97.7Very high98Very high52 Ų5232.2 Ų32.224%0.24115%0.154CC..THydrogen-bonded Turntrans-93.27.3178.2-68.674.6000114F59 D60 C101 A102 H103 V107F59-H105 VanDerWaalsContact CB-CE1 3.42Å; F59-H105 WeakPolarHBondContact CB-CE1 3.3Å; F59-H105 HydrophobicContact CD1-CB 4.07Å; D60-H105 PolarHBondContact N-NE2 2.93Å; D60-H105 IonicContact OD1-NE2 3.5Å; D60-H105 PolarHBondContact OD1-NE2 3.42Å; C101-H105 WeakPolarHBondContact O-CB 3.4Å; C101-H105 PolarHBondContact O-N 2.93Å; C101-H105 PolarHBondContact O-ND1 3.32Å; A102-H105 CarbonylContact O-C 3.54Å; A102-H105 PolarHBondContact O-N 2.93Å; H103-H105 PolarHBondContact O-N 3.3Å; H105-V107 HydrophobicContact CB-CG2 4.46Å; H105-V107 PolarHBondContact O-N 3.38Å
106K97.2Very high97.8Very high168 Ų16832.7 Ų32.773%0.7316%0.157SC*.THydrogen-bonded Turntrans58.433.8178.4-50179.1-179-178.50113.5A102 H103 E108A102-K106 PolarHBondContact O-N 3.14Å; A102-K106 VanDerWaalsContact O-N 3.12Å; H103-K106 PolarHBondContact O-N 3.05Å; K106-E108 PolarHBondContact O-N 3.09Å
107V98.1Very high97.4Very high0 Ų030 Ų300%015%0.145CC..  trans-69.7114.2167.7177.70000107.6F59 P64 V67 A102 H105 K109 V110 Y166F59-V107 HydrophobicContact CD1-CG2 4.45Å; F59-V107 HydrophobicContact CE1-CG2 4.08Å; P64-V107 HydrophobicContact CB-CG2 4.39Å; P64-V107 HydrophobicContact CG-CG2 3.98Å; P64-V107 WeakPolarHBondContact O-CG2 3.33Å; V67-V107 HydrophobicContact CB-CG1 4.44Å; V67-V107 HydrophobicContact CG2-CG1 3.84Å; V67-V107 HydrophobicContact CG2-CG2 4.27Å; A102-V107 HydrophobicContact CB-CB 3.94Å; A102-V107 HydrophobicContact CB-CG1 4.4Å; A102-V107 HydrophobicContact CB-CG2 4.27Å; A102-V107 WeakPolarHBondContact O-CB 3.41Å; A102-V107 PolarHBondContact O-N 2.64Å; H105-V107 HydrophobicContact CB-CG2 4.46Å; H105-V107 PolarHBondContact O-N 3.38Å; V107-K109 VanDerWaalsContact CG1-O 3.31Å; V107-K109 WeakPolarHBondContact CG1-O 3.35Å; V107-V110 HydrophobicContact CG1-CG2 3.96Å; V107-Y166 WeakPolarHBondContact O-CE1 3.38Å; V107-Y166 PolarHBondContact O-OH 3.03Å
108E94.1Very high97.3Very high111 Ų11129.4 Ų29.452%0.51914%0.141SC..  trans-87-17.8-177.5-63.9-177.1179.300113.1K106 Y164 R165K106-E108 PolarHBondContact O-N 3.09Å; E108-Y164 HydrophobicContact CB-CD1 4.48Å; E108-Y164 HydrophobicContact CG-CD1 4.38Å; E108-Y164 HydrophobicContact CG-CE1 4.46Å; E108-R165 PolarHBondContact O-N 2.93Å; E108-R165 IonicContact OE2-NH2 3.63Å
109K98.1Very high97.2Very high11 Ų1129.9 Ų29.95%0.04814%0.143CC..EExtended strand (participates in β ladder)trans-126.7118.7-176.2-167.675.3-178.7-179.70111.6E66 V67 V107 R165 L232 Y235E66-K109 WeakPolarHBondContact CA-O 3.44Å; E66-K109 HydrophobicContact CB-CB 4.37Å; E66-K109 HydrophobicContact CG-CB 4.15Å; V67-K109 PolarHBondContact N-O 3.49Å; V107-K109 VanDerWaalsContact CG1-O 3.31Å; V107-K109 WeakPolarHBondContact CG1-O 3.35Å; K109-R165 HydrophobicContact CD-CB 3.68Å; K109-R165 WeakPolarHBondContact CD-O 3.31Å; K109-L232 HydrophobicContact CG-CD1 4.11Å; K109-Y235 PolarHBondContact NZ-O 3.08Å
110V98.8Very high97Very high0 Ų030.1 Ų30.10%015%0.145CC..EExtended strand (participates in β ladder)trans-129.3122.4173.5-179.10000108.9V67 H69 L98 L99 A102 V107 R165 Y166 T167V67-V110 HydrophobicContact CB-CG1 4.35Å; V67-V110 HydrophobicContact CB-CG2 4.17Å; V67-V110 HydrophobicContact CG1-CG1 4.43Å; V67-V110 CarbonylContact O-C 3.56Å; V67-V110 WeakPolarHBondContact O-CA 3.48Å; H69-V110 HydrophobicContact CB-CG1 4.5Å; L98-V110 HydrophobicContact CD2-CG1 4.43Å; L99-V110 HydrophobicContact CD2-CB 4.4Å; L99-V110 HydrophobicContact CD2-CG1 3.9Å; L99-V110 HydrophobicContact CD2-CG2 4.44Å; A102-V110 HydrophobicContact CB-CG2 4.03Å; V107-V110 HydrophobicContact CG1-CG2 3.96Å; V110-R165 PolarHBondContact N-O 3.04Å; V110-Y166 HydrophobicContact CB-CD1 3.61Å; V110-Y166 HydrophobicContact CB-CE1 4.02Å; V110-Y166 HydrophobicContact CB-CG 3.97Å; V110-Y166 HydrophobicContact CG2-CD1 3.5Å; V110-Y166 VanDerWaalsContact CG2-CD1 3.5Å; V110-Y166 HydrophobicContact CG2-CD2 4.43Å; V110-Y166 HydrophobicContact CG2-CE1 3.33Å; V110-Y166 HydrophobicContact CG2-CE2 4.27Å; V110-Y166 HydrophobicContact CG2-CG 4.08Å; V110-T167 PolarHBondContact O-N 3.4Å
111I98.8Very high96.7Very high2 Ų229.8 Ų29.81%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-103.7102.5169.4-55.8-58.4000108.5V67 I68 H69 T167 V169 I228 A231 L232V67-I111 PolarHBondContact O-N 3.07Å; I68-I111 CarbonylContact C-O 3.57Å; I68-I111 WeakPolarHBondContact CA-O 3.3Å; H69-I111 PolarHBondContact N-O 3.36Å; I111-T167 HydrophobicContact CD1-CG2 3.45Å; I111-T167 VanDerWaalsContact CD1-CG2 3.45Å; I111-V169 HydrophobicContact CG2-CG1 4.1Å; I111-I228 HydrophobicContact CG2-CG2 4.34Å; I111-A231 HydrophobicContact CD1-CB 4.47Å; I111-L232 HydrophobicContact CG1-CB 4.13Å; I111-L232 HydrophobicContact CG1-CD1 3.78Å
112S98.7Very high96.4Very high0 Ų040.6 Ų40.60%019%0.186CC..EExtended strand (participates in β ladder)trans-84.2162.4173.3-72.70000112.4T167 S168 V169S112-T167 PolarHBondContact N-O 3.29Å; S112-S168 CarbonylContact O-C 3.28Å; S112-S168 WeakPolarHBondContact O-CA 3.49Å; S112-S168 WeakPolarHBondContact O-CB 3.45Å; S112-V169 PolarHBondContact O-N 2.88Å
113C98.4Very high96.1Very high10 Ų1042.3 Ų42.37%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-116119.7173-170.30000110.6H69 L70 K148 V169H69-C113 PolarHBondContact O-N 3.06Å; L70-C113 HydrophobicContact CD2-CB 3.8Å; C113-K148 PolarHBondContact O-NZ 2.78Å; C113-V169 HydrophobicContact CB-CG2 4.29Å
114T97.5Very high95.9Very high3 Ų344.7 Ų44.72%0.01822%0.217CC..  trans-102.5-141.3171.965.20000109.9I118 K148 L151 V169 I170T114-I118 HydrophobicContact CG2-CD1 4.48Å; T114-K148 HydrophobicContact CG2-CB 4.45Å; T114-L151 HydrophobicContact CG2-CD2 4.46Å; T114-V169 PolarHBondContact N-O 3.29Å; T114-V169 PolarHBondContact OG1-O 3.3Å; T114-I170 WeakPolarHBondContact OG1-CG1 3.21Å
115S94.7Very high95.7Very high25 Ų2542.8 Ų42.818%0.17521%0.205CC..  trans-170.1152.1-178.6172.90000110.5C117 I118S115-C117 PolarHBondContact O-N 3.39Å; S115-C117 PolarHBondContact OG-N 3.03Å; S115-C117 PolarHBondContact OG-SG 3.36Å; S115-I118 WeakPolarHBondContact O-CG1 3.31Å; S115-I118 WeakPolarHBondContact O-CG2 3.43Å; S115-I118 PolarHBondContact O-N 3.19Å; S115-I118 VanDerWaalsContact O-N 3.08Å
116T94.1Very high95.6Very high10 Ų1043.4 Ų43.46%0.06121%0.214CC..G310 helixtrans-60.4-14171.954.30000114.6I118 F119 I170 P171 C172 A285T116-I118 PolarHBondContact O-N 3.4Å; T116-F119 HydrophobicContact CG2-CE2 4.32Å; T116-F119 WeakPolarHBondContact O-CD2 3.39Å; T116-F119 PolarHBondContact O-N 2.98Å; T116-I170 HydrophobicContact CG2-CG2 4.36Å; T116-P171 PolarHBondContact N-O 2.9Å; T116-C172 HydrophobicContact CG2-CB 4.26Å; T116-A285 HydrophobicContact CG2-CB 4.16Å
117C91.7Very high95.6Very high22 Ų2235.5 Ų35.515%0.14918%0.18CC..G310 helixtrans-73-5.6174.172.10000114.3S115 F119 N141 Y144S115-C117 PolarHBondContact O-N 3.39Å; S115-C117 PolarHBondContact OG-N 3.03Å; S115-C117 PolarHBondContact OG-SG 3.36Å; C117-F119 VanDerWaalsContact C-N 3.33Å; C117-N141 WeakPolarHBondContact CB-ND2 3.39Å; C117-Y144 VanDerWaalsContact SG-CD1 3.58Å; C117-Y144 WeakPolarHBondContact SG-CE1 3.46Å
118I95.7Very high95.6Very high0 Ų038.1 Ų38.10%019%0.194CC..G310 helixtrans-78.7-17.1172.476.4-173.6000112.2T114 S115 T116 I132 K148 R149 I170T114-I118 HydrophobicContact CG2-CD1 4.48Å; S115-I118 WeakPolarHBondContact O-CG1 3.31Å; S115-I118 WeakPolarHBondContact O-CG2 3.43Å; S115-I118 PolarHBondContact O-N 3.19Å; S115-I118 VanDerWaalsContact O-N 3.08Å; T116-I118 PolarHBondContact O-N 3.4Å; I118-I132 HydrophobicContact CD1-CD1 4.36Å; I118-I132 HydrophobicContact CD1-CG1 4.22Å; I118-I132 HydrophobicContact CD1-CG2 3.82Å; I118-I132 HydrophobicContact CG1-CG2 4.07Å; I118-K148 HydrophobicContact CG2-CB 3.5Å; I118-K148 VanDerWaalsContact CG2-CB 3.5Å; I118-K148 HydrophobicContact CG2-CG 4.47Å; I118-R149 HydrophobicContact CB-CG 4.01Å; I118-R149 PolarHBondContact O-NE 3.03Å; I118-R149 PolarHBondContact O-NH2 3.41Å; I118-I170 HydrophobicContact CD1-CD1 4.4Å
119F96.1Very high95.8Very high9 Ų933.6 Ų33.64%0.03917%0.172CC..SBendtrans-69.7158.8-177.6-72.4-73.9000112.3T116 C117 I127 D128 M131 I132 I170 I242T116-F119 HydrophobicContact CG2-CE2 4.32Å; T116-F119 WeakPolarHBondContact O-CD2 3.39Å; T116-F119 PolarHBondContact O-N 2.98Å; C117-F119 VanDerWaalsContact C-N 3.33Å; F119-I127 HydrophobicContact CB-CD1 3.9Å; F119-I127 HydrophobicContact CD1-CB 4.23Å; F119-I127 HydrophobicContact CD1-CD1 4.34Å; F119-I127 HydrophobicContact CD1-CG1 4.45Å; F119-I127 HydrophobicContact CD2-CD1 3.28Å; F119-I127 HydrophobicContact CD2-CG1 3.95Å; F119-I127 HydrophobicContact CE1-CB 4.46Å; F119-I127 HydrophobicContact CE2-CD1 3.83Å; F119-I127 HydrophobicContact CE2-CG1 4.07Å; F119-I127 HydrophobicContact CG-CB 4.31Å; F119-I127 HydrophobicContact CG-CD1 3.59Å; F119-I127 HydrophobicContact CG-CG1 4.16Å; F119-I127 HydrophobicContact CZ-CG1 4.4Å; F119-D128 WeakPolarHBondContact CE1-O 3.49Å; F119-M131 HydrophobicContact CD1-CB 4.32Å; F119-M131 HydrophobicContact CE1-CB 4.42Å; F119-I132 HydrophobicContact CD1-CG1 4.2Å; F119-I132 HydrophobicContact CE1-CB 4.32Å; F119-I132 HydrophobicContact CE1-CG1 3.5Å; F119-I132 HydrophobicContact CZ-CG1 3.99Å; F119-I170 HydrophobicContact CE2-CD1 4.48Å; F119-I170 HydrophobicContact CE2-CG2 3.92Å; F119-I170 HydrophobicContact CZ-CD1 3.99Å; F119-I170 HydrophobicContact CZ-CG2 4.43Å; F119-I242 HydrophobicContact CZ-CD1 4.03Å; F119-I242 HydrophobicContact CZ-CG1 4.39Å
120P95.3Very high95.8Very high6 Ų638.1 Ų38.14%0.03920%0.201CC..  trans-57.6143.2177-23.734000112.5M131 L134 P136P120-M131 WeakPolarHBondContact CD-O 3.42Å; P120-M131 WeakPolarHBondContact CG-O 3.45Å; P120-L134 HydrophobicContact CG-CB 4.35Å; P120-P136 CarbonylContact C-O 3.51Å; P120-P136 VanDerWaalsContact CA-O 3.25Å; P120-P136 WeakPolarHBondContact CA-O 3.34Å
121D91.9Very high95.7Very high56 Ų5639 Ų3930%0.29921%0.205SC..SBendtrans-63.5-45.5175176.546.5000111.6P136 H138 Q280D121-P136 PolarHBondContact N-O 3.21Å; D121-H138 HydrophobicContact CB-CB 4.17Å; D121-H138 IonicContact OD1-CD2 2.66Å; D121-H138 PolarHBondContact OD1-CD2 2.7Å; D121-H138 VanDerWaalsContact OD1-CD2 3.29Å; D121-Q280 PolarHBondContact OD1-NE2 3.11Å
122R91.8Very high95.7Very high227 Ų22739 Ų3986%0.85721%0.206SC*.SBendtrans-98.6102176.3-62.4-176.6-176.1-177.11.2109.2
123T93.4Very high95.7Very high35 Ų3542.9 Ų42.922%0.21522%0.223CC..  trans-145.6160.3-175.2-171.40000112Y125 I127 M131T123-Y125 HydrophobicContact CG2-CE1 3.97Å; T123-Y125 HydrophobicContact CG2-CE2 4.17Å; T123-I127 HydrophobicContact CG2-CG2 3.59Å; T123-M131 WeakPolarHBondContact OG1-CE 3.49Å
124S94.3Very high95.6Very high81 Ų8148.2 Ų48.257%0.56625%0.251SS*.  trans-77.9159.9161.952.90000110.9I127 M131S124-I127 WeakPolarHBondContact O-CG2 3.38Å; S124-M131 VanDerWaalsContact OG-CE 3.27Å; S124-M131 WeakPolarHBondContact OG-CE 3.33Å
125Y93.4Very high95.6Very high70 Ų7049.2 Ų49.228%0.27526%0.261SS..SBendtrans-124.8148.2178.4-66.7-78.3000110.8T123 I127 K282T123-Y125 HydrophobicContact CG2-CE1 3.97Å; T123-Y125 HydrophobicContact CG2-CE2 4.17Å; Y125-I127 HydrophobicContact CD1-CG2 4.11Å; Y125-I127 HydrophobicContact CE1-CG2 4.12Å; Y125-K282 HydrophobicContact CD2-CD 4.18Å; Y125-K282 HydrophobicContact CD2-CG 4.16Å; Y125-K282 HydrophobicContact CE2-CG 4.06Å; Y125-K282 HydrophobicContact CG-CD 4.26Å; Y125-K282 HydrophobicContact CG-CG 4.4Å; Y125-K282 PolarHBondContact OH-O 3.12Å; Y125-K282 VanDerWaalsContact OH-O 3.06Å
126P95.9Very high95.7Very high65 Ų6552.1 Ų52.142%0.42228%0.28SS..SBendcis-69.2152.8-4.431.8-36.3000112.2T284P126-T284 CarbonylContact C-O 3.59Å; P126-T284 VanDerWaalsContact CA-O 3.27Å; P126-T284 WeakPolarHBondContact CA-O 3.47Å; P126-T284 HydrophobicContact CB-CG2 4.17Å
127I96.5Very high95.7Very high3 Ų352 Ų522%0.01528%0.279CS..BIsolated β-bridgetrans-80.9139.7171.962.8-161.5000110F119 T123 S124 Y125 M131 T284 A285 S286F119-I127 HydrophobicContact CB-CD1 3.9Å; F119-I127 HydrophobicContact CD1-CB 4.23Å; F119-I127 HydrophobicContact CD1-CD1 4.34Å; F119-I127 HydrophobicContact CD1-CG1 4.45Å; F119-I127 HydrophobicContact CD2-CD1 3.28Å; F119-I127 HydrophobicContact CD2-CG1 3.95Å; F119-I127 HydrophobicContact CE1-CB 4.46Å; F119-I127 HydrophobicContact CE2-CD1 3.83Å; F119-I127 HydrophobicContact CE2-CG1 4.07Å; F119-I127 HydrophobicContact CG-CB 4.31Å; F119-I127 HydrophobicContact CG-CD1 3.59Å; F119-I127 HydrophobicContact CG-CG1 4.16Å; F119-I127 HydrophobicContact CZ-CG1 4.4Å; T123-I127 HydrophobicContact CG2-CG2 3.59Å; S124-I127 WeakPolarHBondContact O-CG2 3.38Å; Y125-I127 HydrophobicContact CD1-CG2 4.11Å; Y125-I127 HydrophobicContact CE1-CG2 4.12Å; I127-M131 HydrophobicContact CB-SD 4.34Å; I127-M131 HydrophobicContact CG2-SD 4.47Å; I127-T284 WeakPolarHBondContact CG1-O 3.42Å; I127-T284 PolarHBondContact N-O 3.18Å; I127-A285 HydrophobicContact CD1-CB 4.32Å; I127-A285 HydrophobicContact CG1-CB 3.9Å; I127-A285 WeakPolarHBondContact O-CA 3.19Å; I127-S286 PolarHBondContact O-N 3.37Å
128D98Very high95.7Very high55 Ų5554.2 Ų54.229%0.29429%0.287SS..  trans-122.7174.8173.969.641.9000111.5F119 T130 M131F119-D128 WeakPolarHBondContact CE1-O 3.49Å; D128-T130 PolarHBondContact O-N 3.42Å; D128-T130 VanDerWaalsContact O-N 3.14Å; D128-T130 WeakPolarHBondContact OD1-CA 3.33Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.35Å; D128-T130 PolarHBondContact OD1-N 3.01Å; D128-T130 PolarHBondContact OD1-OG1 3.41Å; D128-M131 WeakPolarHBondContact O-CB 3.43Å; D128-M131 PolarHBondContact O-N 3.2Å
129E98.3Very high95.5Very high15 Ų1561.8 Ų61.87%0.0732%0.323CS..G310 helixtrans-62-23-174.4-58.794.5158.800113.8M131 I132 I170 P240 I242 K289E129-M131 PolarHBondContact O-N 3.02Å; E129-I132 WeakPolarHBondContact O-CD1 3.37Å; E129-I132 WeakPolarHBondContact O-CG1 3.38Å; E129-I170 HydrophobicContact CG-CD1 4.42Å; E129-P240 WeakPolarHBondContact CG-O 3.46Å; E129-I242 HydrophobicContact CG-CB 4.48Å; E129-I242 HydrophobicContact CG-CD1 3.89Å; E129-I242 HydrophobicContact CG-CG1 3.85Å; E129-I242 PolarHBondContact OE1-N 2.91Å; E129-K289 WeakPolarHBondContact OE1-CB 3.24Å
130T98Very high95.2Very high106 Ų10662 Ų6265%0.6533%0.325SS*.G310 helixtrans-74.9-13.4178.875.10000112.7D128D128-T130 PolarHBondContact O-N 3.42Å; D128-T130 VanDerWaalsContact O-N 3.14Å; D128-T130 WeakPolarHBondContact OD1-CA 3.33Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.35Å; D128-T130 PolarHBondContact OD1-N 3.01Å; D128-T130 PolarHBondContact OD1-OG1 3.41Å
131M98.2Very high95Very high18 Ų1862.4 Ų62.49%0.08933%0.327CS..G310 helixtrans-93.6-3.4-171.4-58.3-179.275.100114.6F119 P120 T123 S124 I127 D128 E129 H133 L134F119-M131 HydrophobicContact CD1-CB 4.32Å; F119-M131 HydrophobicContact CE1-CB 4.42Å; P120-M131 WeakPolarHBondContact CD-O 3.42Å; P120-M131 WeakPolarHBondContact CG-O 3.45Å; T123-M131 WeakPolarHBondContact OG1-CE 3.49Å; S124-M131 VanDerWaalsContact OG-CE 3.27Å; S124-M131 WeakPolarHBondContact OG-CE 3.33Å; I127-M131 HydrophobicContact CB-SD 4.34Å; I127-M131 HydrophobicContact CG2-SD 4.47Å; D128-M131 WeakPolarHBondContact O-CB 3.43Å; D128-M131 PolarHBondContact O-N 3.2Å; E129-M131 PolarHBondContact O-N 3.02Å; M131-H133 PolarHBondContact O-N 3.45Å; M131-H133 VanDerWaalsContact O-N 3.11Å; M131-L134 HydrophobicContact CB-CD1 4.1Å; M131-L134 HydrophobicContact CG-CD1 4.02Å; M131-L134 PolarHBondContact O-N 2.65Å
132I97.7Very high95.1Very high4 Ų463.8 Ų63.82%0.02133%0.333CS..THydrogen-bonded Turntrans-50.8-42.7-172.2-65.1168000112.4I118 F119 E129 R149 I170 P240I118-I132 HydrophobicContact CD1-CD1 4.36Å; I118-I132 HydrophobicContact CD1-CG1 4.22Å; I118-I132 HydrophobicContact CD1-CG2 3.82Å; I118-I132 HydrophobicContact CG1-CG2 4.07Å; F119-I132 HydrophobicContact CD1-CG1 4.2Å; F119-I132 HydrophobicContact CE1-CB 4.32Å; F119-I132 HydrophobicContact CE1-CG1 3.5Å; F119-I132 HydrophobicContact CZ-CG1 3.99Å; E129-I132 WeakPolarHBondContact O-CD1 3.37Å; E129-I132 WeakPolarHBondContact O-CG1 3.38Å; I132-R149 HydrophobicContact CG2-CG 4.04Å; I132-R149 PolarHBondContact O-NE 2.96Å; I132-R149 PolarHBondContact O-NH1 2.77Å; I132-R149 PolarHBondContact O-NH2 2.76Å; I132-I170 HydrophobicContact CD1-CD1 3.7Å; I132-I170 HydrophobicContact CG1-CD1 4.21Å; I132-P240 HydrophobicContact CD1-CB 4.3Å; I132-P240 HydrophobicContact CD1-CG 3.86Å
133H98.1Very high95.3Very high80 Ų8053.3 Ų53.337%0.3730%0.295SS..THydrogen-bonded Turntrans-105.99.9-171.7-57.5-77.7000114.3M131 G135 D152M131-H133 PolarHBondContact O-N 3.45Å; M131-H133 VanDerWaalsContact O-N 3.11Å; H133-G135 PolarHBondContact O-N 3.15Å; H133-G135 VanDerWaalsContact O-N 3.08Å; H133-D152 IonicContact CD2-OD2 3.55Å; H133-D152 IonicContact CE1-OD2 3.28Å; H133-D152 IonicContact NE2-OD2 3.81Å; H133-D152 PolarHBondContact NE2-OD2 3.39Å
134L97.5Very high95.5Very high123 Ų12352.9 Ų52.964%0.64429%0.29SS*.SBendtrans-81.221.1-173.6-61.5-176.2000115.1P120 M131P120-L134 HydrophobicContact CG-CB 4.35Å; M131-L134 HydrophobicContact CB-CD1 4.1Å; M131-L134 HydrophobicContact CG-CD1 4.02Å; M131-L134 PolarHBondContact O-N 2.65Å
135G96.5Very high95.6Very high23 Ų2349 Ų4924%0.23726%0.263CS..SBendtrans156.1168.2-18000000112.4H133 R149H133-G135 PolarHBondContact O-N 3.15Å; H133-G135 VanDerWaalsContact O-N 3.08Å; G135-R149 VanDerWaalsContact O-CZ 3.22Å; G135-R149 PolarHBondContact O-NH1 2.91Å; G135-R149 PolarHBondContact O-NH2 2.9Å
136P96.8Very high95.9Very high87 Ų8749.3 Ų49.357%0.56526%0.264SS*.PPolyproline II helixtrans-66.6144.4-178.728.4-34.7000111.8P120 D121P120-P136 CarbonylContact C-O 3.51Å; P120-P136 VanDerWaalsContact CA-O 3.25Å; P120-P136 WeakPolarHBondContact CA-O 3.34Å; D121-P136 PolarHBondContact N-O 3.21Å
137P94.8Very high96Very high6 Ų646.2 Ų46.24%0.03924%0.244CC..PPolyproline II helixtrans-71170.7169.834-33.6000110.3A145 Y146P137-A145 HydrophobicContact CB-CB 3.55Å; P137-A145 HydrophobicContact CG-CB 3.64Å; P137-Y146 WeakPolarHBondContact CD-OH 3.44Å; P137-Y146 HydrophobicContact CG-CD2 4.05Å; P137-Y146 HydrophobicContact CG-CE1 4.45Å; P137-Y146 HydrophobicContact CG-CE2 3.77Å; P137-Y146 HydrophobicContact CG-CG 4.49Å
138H91.7Very high96.1Very high70 Ų7046.2 Ų46.232%0.32424%0.243SC..PPolyproline II helixtrans-63.9138.2177.5-171.9-92.7000111.5D121 S140 N141 M142D121-H138 HydrophobicContact CB-CB 4.17Å; D121-H138 IonicContact OD1-CD2 2.66Å; D121-H138 PolarHBondContact OD1-CD2 2.7Å; D121-H138 VanDerWaalsContact OD1-CD2 3.29Å; H138-S140 PolarHBondContact CE1-OG 2.99Å; H138-S140 VanDerWaalsContact ND1-CB 3.35Å; H138-S140 WeakPolarHBondContact ND1-CB 3.23Å; H138-S140 PolarHBondContact ND1-N 3.13Å; H138-S140 PolarHBondContact ND1-OG 3.25Å; H138-S140 PolarHBondContact O-N 2.92Å; H138-S140 VanDerWaalsContact O-N 3.15Å; H138-N141 PolarHBondContact O-N 2.76Å; H138-N141 PolarHBondContact O-OD1 2.97Å; H138-M142 PolarHBondContact O-N 3.18Å
139E91.6Very high96.1Very high159 Ų15944 Ų4474%0.74323%0.231SC*.G310 helixtrans-61.5-28.8-171.7-65.3-176.2168.800113.3N141 M142E139-N141 PolarHBondContact O-N 3.18Å; E139-M142 PolarHBondContact O-N 3.3Å
140S88.8Confident96.1Very high12 Ų1246.5 Ų46.58%0.08424%0.244CC..G310 helixtrans-58.1-25.8-175.861.70000114.8L77 N80 L81 N84 H138L77-S140 WeakPolarHBondContact CD1-OG 3.49Å; N80-S140 CarbonylContact C-O 3.58Å; L81-S140 VanDerWaalsContact CA-O 3.24Å; L81-S140 WeakPolarHBondContact CA-O 3.31Å; L81-S140 PolarHBondContact N-O 2.87Å; N84-S140 PolarHBondContact ND2-O 2.96Å; H138-S140 PolarHBondContact CE1-OG 2.99Å; H138-S140 VanDerWaalsContact ND1-CB 3.35Å; H138-S140 WeakPolarHBondContact ND1-CB 3.23Å; H138-S140 PolarHBondContact ND1-N 3.13Å; H138-S140 PolarHBondContact ND1-OG 3.25Å; H138-S140 PolarHBondContact O-N 2.92Å; H138-S140 VanDerWaalsContact O-N 3.15Å
141N91.1Very high96.2Very high15 Ų1541.5 Ų41.58%0.0821%0.213CC..G310 helixtrans-14127.2-174.763.1-60.8000111.2N80 N84 C117 H138 E139 G143 Y144 A145N80-N141 HydrophobicContact CB-CB 3.77Å; N84-N141 VanDerWaalsContact OD1-C 3.29Å; N84-N141 WeakPolarHBondContact OD1-CA 3.31Å; C117-N141 WeakPolarHBondContact CB-ND2 3.39Å; H138-N141 PolarHBondContact O-N 2.76Å; H138-N141 PolarHBondContact O-OD1 2.97Å; E139-N141 PolarHBondContact O-N 3.18Å; N141-G143 PolarHBondContact O-N 2.86Å; N141-Y144 PolarHBondContact O-N 3.17Å; N141-A145 WeakPolarHBondContact O-CB 3.25Å; N141-A145 PolarHBondContact O-N 3.21Å
142M94.5Very high96.2Very high86 Ų8641.4 Ų41.442%0.42421%0.212SC..Hα-helixtrans-55.2-36.9-175.268.8-179.5-5600112.7N84 H138 E139 A145 Y146N84-M142 PolarHBondContact OD1-N 3.4Å; H138-M142 PolarHBondContact O-N 3.18Å; E139-M142 PolarHBondContact O-N 3.3Å; M142-A145 PolarHBondContact O-N 3.39Å; M142-Y146 HydrophobicContact CB-CD2 4.2Å; M142-Y146 HydrophobicContact CB-CE2 4.33Å; M142-Y146 HydrophobicContact CE-CD2 4.42Å; M142-Y146 HydrophobicContact CE-CE2 4.07Å; M142-Y146 WeakPolarHBondContact O-CB 3.39Å; M142-Y146 VanDerWaalsContact O-CD2 3.23Å; M142-Y146 WeakPolarHBondContact O-CD2 3.24Å; M142-Y146 PolarHBondContact O-N 2.75Å
143G96.9Very high96.2Very high6 Ų644 Ų446%0.06223%0.226CC..Hα-helixtrans-65-45.3-179.500000112.7N84 F88 N141 A147N84-G143 WeakPolarHBondContact O-CA 3.49Å; N84-G143 PolarHBondContact OD1-N 3.28Å; F88-G143 WeakPolarHBondContact CA-O 3.27Å; F88-G143 WeakPolarHBondContact CD2-O 3.27Å; N141-G143 PolarHBondContact O-N 2.86Å; G143-A147 WeakPolarHBondContact O-CB 3.22Å; G143-A147 PolarHBondContact O-N 3.11Å
144Y97.1Very high96.2Very high27 Ų2741.4 Ų41.411%0.10621%0.214CC..Hα-helixtrans-64.8-47.3172.7177.3-91.8000111.5K73 V74 N80 F87 C117 N141 Y146 A147 K148K73-Y144 WeakPolarHBondContact O-CD2 3.42Å; V74-Y144 HydrophobicContact CG1-CE2 4.27Å; N80-Y144 VanDerWaalsContact OD1-CB 3.31Å; N80-Y144 WeakPolarHBondContact OD1-CB 3.19Å; F87-Y144 HydrophobicContact CD1-CD2 4.07Å; C117-Y144 VanDerWaalsContact SG-CD1 3.58Å; C117-Y144 WeakPolarHBondContact SG-CE1 3.46Å; N141-Y144 PolarHBondContact O-N 3.17Å; Y144-Y146 PolarHBondContact O-N 3.49Å; Y144-A147 PolarHBondContact O-N 3.15Å; Y144-K148 HydrophobicContact CD1-CG 4.34Å; Y144-K148 HydrophobicContact CE1-CG 3.85Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 PolarHBondContact O-N 3.27Å; Y144-K148 WeakPolarHBondContact OH-CE 3.42Å
145A96.9Very high96.3Very high0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-60.9-48.3-176.300000111.9P137 N141 M142 K148 R149P137-A145 HydrophobicContact CB-CB 3.55Å; P137-A145 HydrophobicContact CG-CB 3.64Å; N141-A145 WeakPolarHBondContact O-CB 3.25Å; N141-A145 PolarHBondContact O-N 3.21Å; M142-A145 PolarHBondContact O-N 3.39Å; A145-K148 PolarHBondContact O-N 3.21Å; A145-R149 WeakPolarHBondContact O-CG 3.18Å; A145-R149 PolarHBondContact O-N 2.85Å
146Y98.4Very high96.4Very high76 Ų7639.8 Ų39.830%0.29820%0.195SC..Hα-helixtrans-65.8-39177.1-80.6-63.7000112.4P137 M142 Y144 K148 R149 M150P137-Y146 WeakPolarHBondContact CD-OH 3.44Å; P137-Y146 HydrophobicContact CG-CD2 4.05Å; P137-Y146 HydrophobicContact CG-CE1 4.45Å; P137-Y146 HydrophobicContact CG-CE2 3.77Å; P137-Y146 HydrophobicContact CG-CG 4.49Å; M142-Y146 HydrophobicContact CB-CD2 4.2Å; M142-Y146 HydrophobicContact CB-CE2 4.33Å; M142-Y146 HydrophobicContact CE-CD2 4.42Å; M142-Y146 HydrophobicContact CE-CE2 4.07Å; M142-Y146 WeakPolarHBondContact O-CB 3.39Å; M142-Y146 VanDerWaalsContact O-CD2 3.23Å; M142-Y146 WeakPolarHBondContact O-CD2 3.24Å; M142-Y146 PolarHBondContact O-N 2.75Å; Y144-Y146 PolarHBondContact O-N 3.49Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 3.49Å; Y146-R149 PolarHBondContact O-N 2.96Å; Y146-M150 WeakPolarHBondContact O-CG 3.32Å; Y146-M150 PolarHBondContact O-N 3.37Å
147A98.5Very high96.4Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-61.5-37.7175.700000112.4F88 N91 M92 N95 G143 Y144 M150 L151F88-A147 HydrophobicContact CD2-CB 4.2Å; N91-A147 HydrophobicContact CB-CB 3.63Å; M92-A147 HydrophobicContact CG-CB 3.98Å; M92-A147 HydrophobicContact SD-CB 4.06Å; N95-A147 PolarHBondContact ND2-O 3.16Å; G143-A147 WeakPolarHBondContact O-CB 3.22Å; G143-A147 PolarHBondContact O-N 3.11Å; Y144-A147 PolarHBondContact O-N 3.15Å; A147-M150 PolarHBondContact O-N 3.13Å; A147-L151 PolarHBondContact O-N 2.88Å
148K98.4Very high96.6Very high2 Ų241.6 Ų41.61%0.00920%0.197CC..Hα-helixtrans-74.4-30.4174.3-70.7-62.6-171.3175.80113.5C113 T114 I118 Y144 A145 Y146 L151 D152C113-K148 PolarHBondContact O-NZ 2.78Å; T114-K148 HydrophobicContact CG2-CB 4.45Å; I118-K148 HydrophobicContact CG2-CB 3.5Å; I118-K148 VanDerWaalsContact CG2-CB 3.5Å; I118-K148 HydrophobicContact CG2-CG 4.47Å; Y144-K148 HydrophobicContact CD1-CG 4.34Å; Y144-K148 HydrophobicContact CE1-CG 3.85Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 PolarHBondContact O-N 3.27Å; Y144-K148 WeakPolarHBondContact OH-CE 3.42Å; A145-K148 PolarHBondContact O-N 3.21Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 3.49Å; K148-L151 HydrophobicContact CD-CD2 4.28Å; K148-L151 WeakPolarHBondContact O-CB 3.47Å; K148-L151 PolarHBondContact O-N 2.9Å; K148-D152 PolarHBondContact O-N 3.47Å
149R98.6Very high96.9Very high8 Ų838.8 Ų38.83%0.0319%0.185CC..Hα-helixtrans-66.7-39.3169.1-73.9-172.4-173.8-168.2-0.3112.3I118 I132 G135 A145 Y146 L151 D152 I153I118-R149 HydrophobicContact CB-CG 4.01Å; I118-R149 PolarHBondContact O-NE 3.03Å; I118-R149 PolarHBondContact O-NH2 3.41Å; I132-R149 HydrophobicContact CG2-CG 4.04Å; I132-R149 PolarHBondContact O-NE 2.96Å; I132-R149 PolarHBondContact O-NH1 2.77Å; I132-R149 PolarHBondContact O-NH2 2.76Å; G135-R149 VanDerWaalsContact O-CZ 3.22Å; G135-R149 PolarHBondContact O-NH1 2.91Å; G135-R149 PolarHBondContact O-NH2 2.9Å; A145-R149 WeakPolarHBondContact O-CG 3.18Å; A145-R149 PolarHBondContact O-N 2.85Å; Y146-R149 PolarHBondContact O-N 2.96Å; R149-L151 PolarHBondContact O-N 2.91Å; R149-D152 WeakPolarHBondContact O-CB 3.4Å; R149-D152 PolarHBondContact O-N 3.22Å; R149-I153 PolarHBondContact O-N 2.94Å; R149-I153 VanDerWaalsContact O-N 3.13Å
150M98.6Very high97.2Very high69 Ų6937 Ų3734%0.3418%0.18SC..Hα-helixtrans-67.9-28.5177.1-66.6-56.492.100111.8M92 Y146 A147 D152 I153 M154M92-M150 HydrophobicContact CE-CB 3.93Å; M92-M150 HydrophobicContact CE-CG 4.35Å; M92-M150 HydrophobicContact SD-CB 3.61Å; M92-M150 HydrophobicContact SD-CG 4.02Å; Y146-M150 WeakPolarHBondContact O-CG 3.32Å; Y146-M150 PolarHBondContact O-N 3.37Å; A147-M150 PolarHBondContact O-N 3.13Å; M150-D152 VanDerWaalsContact C-N 3.34Å; M150-I153 HydrophobicContact CE-CG1 3.84Å; M150-I153 PolarHBondContact O-N 3.07Å; M150-M154 VanDerWaalsContact O-CG 3.32Å; M150-M154 WeakPolarHBondContact O-CG 3.33Å; M150-M154 PolarHBondContact O-N 3.26Å
151L98.7Very high97.7Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-59.7-43.2169.4177.657.9000112.4N95 L99 T114 A147 K148 R149 M154 N155N95-L151 HydrophobicContact CB-CD1 4.11Å; L99-L151 HydrophobicContact CD1-CD1 3.61Å; L99-L151 HydrophobicContact CG-CD1 4.12Å; T114-L151 HydrophobicContact CG2-CD2 4.46Å; A147-L151 PolarHBondContact O-N 2.88Å; K148-L151 HydrophobicContact CD-CD2 4.28Å; K148-L151 WeakPolarHBondContact O-CB 3.47Å; K148-L151 PolarHBondContact O-N 2.9Å; R149-L151 PolarHBondContact O-N 2.91Å; L151-M154 HydrophobicContact CB-CE 4.35Å; L151-M154 HydrophobicContact CD1-CE 4.16Å; L151-M154 PolarHBondContact O-N 3.01Å; L151-N155 VanDerWaalsContact O-CG 3.25Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 PolarHBondContact O-OD1 3.34Å
152D98.5Very high98Very high16 Ų1645.9 Ų45.99%0.08622%0.222CC..Hα-helixtrans-62.3-42.5173.7176.963.6000112.4H133 K148 R149 M150 M154 N155 K156 P240H133-D152 IonicContact CD2-OD2 3.55Å; H133-D152 IonicContact CE1-OD2 3.28Å; H133-D152 IonicContact NE2-OD2 3.81Å; H133-D152 PolarHBondContact NE2-OD2 3.39Å; K148-D152 PolarHBondContact O-N 3.47Å; R149-D152 WeakPolarHBondContact O-CB 3.4Å; R149-D152 PolarHBondContact O-N 3.22Å; M150-D152 VanDerWaalsContact C-N 3.34Å; D152-M154 PolarHBondContact O-N 2.92Å; D152-N155 WeakPolarHBondContact O-CB 3.37Å; D152-N155 PolarHBondContact O-N 3.19Å; D152-K156 PolarHBondContact O-N 2.89Å; D152-P240 WeakPolarHBondContact OD1-CD 3.27Å; D152-P240 WeakPolarHBondContact OD1-CG 3.3Å
153I98.6Very high98.1Very high59 Ų5944.8 Ų44.830%0.30323%0.233SC..Hα-helixtrans-62.9-42.6174-61.1-57.7000111.8R149 M150 K156 L157R149-I153 PolarHBondContact O-N 2.94Å; R149-I153 VanDerWaalsContact O-N 3.13Å; M150-I153 HydrophobicContact CE-CG1 3.84Å; M150-I153 PolarHBondContact O-N 3.07Å; I153-K156 WeakPolarHBondContact O-CB 3.47Å; I153-K156 PolarHBondContact O-N 2.54Å; I153-L157 HydrophobicContact CG2-CD1 3.89Å; I153-L157 HydrophobicContact CG2-CG 4.27Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.37Å; I153-L157 PolarHBondContact O-N 3.38Å
154M98.5Very high98.1Very high26 Ų2646 Ų4613%0.12824%0.236CC..Hα-helixtrans-61.9-44.8176.5-72.8-173.8-64.300111.1N95 D96 L99 M150 L151 D152 K156 L157 Y158N95-M154 HydrophobicContact CB-CE 3.63Å; D96-M154 HydrophobicContact CB-SD 4.48Å; L99-M154 HydrophobicContact CD1-CB 3.55Å; L99-M154 HydrophobicContact CD1-CE 4.16Å; L99-M154 HydrophobicContact CD1-SD 4.42Å; M150-M154 VanDerWaalsContact O-CG 3.32Å; M150-M154 WeakPolarHBondContact O-CG 3.33Å; M150-M154 PolarHBondContact O-N 3.26Å; L151-M154 HydrophobicContact CB-CE 4.35Å; L151-M154 HydrophobicContact CD1-CE 4.16Å; L151-M154 PolarHBondContact O-N 3.01Å; D152-M154 PolarHBondContact O-N 2.92Å; M154-K156 VanDerWaalsContact C-N 3.32Å; M154-K156 PolarHBondContact O-N 3.25Å; M154-L157 PolarHBondContact O-N 2.95Å; M154-Y158 HydrophobicContact CB-CD2 4.41Å; M154-Y158 HydrophobicContact CB-CE2 4.46Å; M154-Y158 WeakPolarHBondContact O-CD2 3.48Å; M154-Y158 PolarHBondContact O-N 3.15Å
155N98.5Very high98.1Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-51.6-53.5173.6-70.7-15.3000110.6L151 D152 L157 Y158 N159 T167L151-N155 VanDerWaalsContact O-CG 3.25Å; L151-N155 PolarHBondContact O-N 2.99Å; L151-N155 PolarHBondContact O-OD1 3.34Å; D152-N155 WeakPolarHBondContact O-CB 3.37Å; D152-N155 PolarHBondContact O-N 3.19Å; N155-L157 PolarHBondContact O-N 2.97Å; N155-Y158 PolarHBondContact O-N 3.42Å; N155-N159 WeakPolarHBondContact O-CB 3.15Å; N155-N159 PolarHBondContact O-N 3.02Å; N155-N159 PolarHBondContact O-ND2 3.44Å; N155-N159 PolarHBondContact O-OD1 2.91Å; N155-T167 PolarHBondContact ND2-O 3.15Å
156K98.2Very high98.2Very high111 Ų11148.9 Ų48.948%0.48325%0.247SC..Hα-helixtrans-55-48.9178.1-179.5172.7-178.71680112.4D152 I153 M154 Y158 N159 D160D152-K156 PolarHBondContact O-N 2.89Å; I153-K156 WeakPolarHBondContact O-CB 3.47Å; I153-K156 PolarHBondContact O-N 2.54Å; M154-K156 VanDerWaalsContact C-N 3.32Å; M154-K156 PolarHBondContact O-N 3.25Å; K156-Y158 PolarHBondContact O-N 2.93Å; K156-N159 PolarHBondContact O-N 3.49Å; K156-D160 WeakPolarHBondContact O-CB 3.3Å; K156-D160 VanDerWaalsContact O-CG 3.27Å; K156-D160 PolarHBondContact O-N 3.42Å
157L98.5Very high98.2Very high98 Ų9845.3 Ų45.351%0.51323%0.233SC..Hα-helixtrans-64.5-41-178.6-67.9172.7000112.7I153 M154 N155 T161I153-L157 HydrophobicContact CG2-CD1 3.89Å; I153-L157 HydrophobicContact CG2-CG 4.27Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.37Å; I153-L157 PolarHBondContact O-N 3.38Å; M154-L157 PolarHBondContact O-N 2.95Å; N155-L157 PolarHBondContact O-N 2.97Å; L157-T161 VanDerWaalsContact O-CB 3.22Å; L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 PolarHBondContact O-N 2.91Å; L157-T161 PolarHBondContact O-OG1 2.76Å
158Y98.6Very high98.2Very high33 Ų3345.4 Ų45.413%0.12923%0.233CC..Hα-helixtrans-63.9-42.4174.8-84.3-68.2000111.7L99 H100 H103 M154 N155 K156 T161 Y162 Y164 Y166L99-Y158 HydrophobicContact CB-CD2 4.17Å; L99-Y158 HydrophobicContact CB-CE2 3.59Å; L99-Y158 HydrophobicContact CD1-CD2 4.12Å; L99-Y158 HydrophobicContact CD1-CE2 4.11Å; H100-Y158 WeakPolarHBondContact CA-OH 3.2Å; H103-Y158 HydrophobicContact CB-CD1 4.24Å; H103-Y158 HydrophobicContact CB-CE1 3.69Å; H103-Y158 AromaticContact CG-CE1 3.91Å; M154-Y158 HydrophobicContact CB-CD2 4.41Å; M154-Y158 HydrophobicContact CB-CE2 4.46Å; M154-Y158 WeakPolarHBondContact O-CD2 3.48Å; M154-Y158 PolarHBondContact O-N 3.15Å; N155-Y158 PolarHBondContact O-N 3.42Å; K156-Y158 PolarHBondContact O-N 2.93Å; Y158-T161 PolarHBondContact O-N 3.19Å; Y158-Y162 AromaticContact CD1-CD2 3.78Å; Y158-Y162 HydrophobicContact CD1-CD2 3.78Å; Y158-Y162 AromaticContact CD1-CE2 3.87Å; Y158-Y162 HydrophobicContact CD1-CE2 3.87Å; Y158-Y162 HydrophobicContact CE1-CD2 4.49Å; Y158-Y162 HydrophobicContact CE1-CE2 4.18Å; Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.36Å; Y158-Y164 HydrophobicContact CD1-CD2 4.38Å; Y158-Y164 HydrophobicContact CD1-CE2 4.36Å; Y158-Y166 HydrophobicContact CD1-CE2 4.2Å; Y158-Y166 AromaticContact CD2-CD2 3.97Å; Y158-Y166 HydrophobicContact CD2-CD2 3.97Å; Y158-Y166 HydrophobicContact CD2-CE2 4.07Å; Y158-Y166 AromaticContact CG-CD2 3.86Å; Y158-Y166 HydrophobicContact CG-CD2 3.86Å; Y158-Y166 AromaticContact CG-CE2 3.81Å; Y158-Y166 HydrophobicContact CG-CE2 3.81Å
159N98.2Very high98.2Very high12 Ų1245.3 Ų45.36%0.06423%0.233CC..Hα-helixtrans-64.6-48.1178-61.5-26.9000111.5N155 K156 T161 G163 Y164 R165 Y166 T238N155-N159 WeakPolarHBondContact O-CB 3.15Å; N155-N159 PolarHBondContact O-N 3.02Å; N155-N159 PolarHBondContact O-ND2 3.44Å; N155-N159 PolarHBondContact O-OD1 2.91Å; K156-N159 PolarHBondContact O-N 3.49Å; N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 3.19Å; N159-G163 VanDerWaalsContact O-CA 3.29Å; N159-G163 WeakPolarHBondContact O-CA 3.37Å; N159-G163 PolarHBondContact O-N 3.19Å; N159-Y164 PolarHBondContact OD1-O 3.47Å; N159-R165 PolarHBondContact OD1-N 2.78Å; N159-Y166 PolarHBondContact ND2-O 3.42Å; N159-Y166 PolarHBondContact OD1-N 3.26Å; N159-T238 HydrophobicContact CB-CG2 3.89Å; N159-T238 VanDerWaalsContact ND2-CB 3.26Å; N159-T238 WeakPolarHBondContact ND2-CB 3.39Å; N159-T238 VanDerWaalsContact ND2-CG2 3.29Å; N159-T238 WeakPolarHBondContact ND2-CG2 3.33Å
160D97.7Very high98.2Very high120 Ų12045 Ų4564%0.64223%0.232SC*.Hα-helixtrans-63.8-34.7-179.9-71.4-12000112K156K156-D160 WeakPolarHBondContact O-CB 3.3Å; K156-D160 VanDerWaalsContact O-CG 3.27Å; K156-D160 PolarHBondContact O-N 3.42Å
161T97.8Very high98.2Very high93 Ų9341.9 Ų41.957%0.57122%0.217SC*.Hα-helixtrans-85.5-41.4-175.9-53.20000113L157 Y158 N159L157-T161 VanDerWaalsContact O-CB 3.22Å; L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 PolarHBondContact O-N 2.91Å; L157-T161 PolarHBondContact O-OG1 2.76Å; Y158-T161 PolarHBondContact O-N 3.19Å; N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 3.19Å
162Y97.5Very high98Very high121 Ų12142.2 Ų42.248%0.47522%0.219SC..Hα-helixtrans-120.1-2.8-168.2-56.2-74.7000114.3H103 Y158 Y164H103-Y162 AromaticContact CE1-CD1 3.55Å; H103-Y162 AromaticContact CE1-CD2 3.94Å; H103-Y162 AromaticContact CE1-CE1 3.33Å; H103-Y162 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y162 AromaticContact CE1-CE2 3.75Å; H103-Y162 AromaticContact CE1-CG 3.84Å; H103-Y162 AromaticContact CE1-CZ 3.43Å; H103-Y162 VanDerWaalsContact CE1-CZ 3.43Å; H103-Y162 AromaticContact NE2-CE1 3.8Å; H103-Y162 AromaticContact NE2-CZ 3.6Å; Y158-Y162 AromaticContact CD1-CD2 3.78Å; Y158-Y162 HydrophobicContact CD1-CD2 3.78Å; Y158-Y162 AromaticContact CD1-CE2 3.87Å; Y158-Y162 HydrophobicContact CD1-CE2 3.87Å; Y158-Y162 HydrophobicContact CE1-CD2 4.49Å; Y158-Y162 HydrophobicContact CE1-CE2 4.18Å; Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.36Å; Y162-Y164 VanDerWaalsContact C-N 3.31Å; Y162-Y164 HydrophobicContact CD2-CE2 4.26Å; Y162-Y164 HydrophobicContact CG-CE2 4.19Å; Y162-Y164 PolarHBondContact O-N 2.94Å
163G96.8Very high97.8Very high64 Ų6443.8 Ų43.866%0.6623%0.227SC*.  trans70.824.8-179.500000114.1N159N159-G163 VanDerWaalsContact O-CA 3.29Å; N159-G163 WeakPolarHBondContact O-CA 3.37Å; N159-G163 PolarHBondContact O-N 3.19Å
164Y96.8Very high97.8Very high30 Ų3042 Ų4212%0.11822%0.219CC..  trans-73.7176.4175-64.3-28.1000112.8H103 E108 Y158 N159 Y162 Y166H103-Y164 HydrophobicContact CB-CE2 4.07Å; H103-Y164 AromaticContact ND1-CE2 3.32Å; H103-Y164 VanDerWaalsContact ND1-CE2 3.32Å; H103-Y164 WeakPolarHBondContact ND1-CE2 3.39Å; H103-Y164 AromaticContact ND1-CZ 3.49Å; H103-Y164 PolarHBondContact ND1-OH 2.93Å; H103-Y164 PolarHBondContact O-OH 3.35Å; E108-Y164 HydrophobicContact CB-CD1 4.48Å; E108-Y164 HydrophobicContact CG-CD1 4.38Å; E108-Y164 HydrophobicContact CG-CE1 4.46Å; Y158-Y164 HydrophobicContact CD1-CD2 4.38Å; Y158-Y164 HydrophobicContact CD1-CE2 4.36Å; N159-Y164 PolarHBondContact OD1-O 3.47Å; Y162-Y164 VanDerWaalsContact C-N 3.31Å; Y162-Y164 HydrophobicContact CD2-CE2 4.26Å; Y162-Y164 HydrophobicContact CG-CE2 4.19Å; Y162-Y164 PolarHBondContact O-N 2.94Å; Y164-Y166 HydrophobicContact CD2-CD1 4.46Å; Y164-Y166 HydrophobicContact CD2-CD2 4.4Å; Y164-Y166 AromaticContact CD2-CE1 3.79Å; Y164-Y166 HydrophobicContact CD2-CE1 3.79Å; Y164-Y166 AromaticContact CD2-CE2 3.75Å; Y164-Y166 HydrophobicContact CD2-CE2 3.75Å; Y164-Y166 AromaticContact CD2-CZ 3.4Å; Y164-Y166 WeakPolarHBondContact CD2-OH 3.5Å; Y164-Y166 HydrophobicContact CE2-CE2 4.34Å; Y164-Y166 AromaticContact CE2-CZ 3.91Å; Y164-Y166 WeakPolarHBondContact CE2-OH 3.43Å; Y164-Y166 HydrophobicContact CG-CD1 4.44Å; Y164-Y166 AromaticContact CG-CE1 3.92Å; Y164-Y166 HydrophobicContact CG-CE1 3.92Å
165R97.6Very high97.7Very high89 Ų8940.9 Ų40.934%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-123.759.2172.9-69.4174.4-70.2-146.4-10.5110.3E108 K109 V110 N159 E236E108-R165 PolarHBondContact O-N 2.93Å; E108-R165 IonicContact OE2-NH2 3.63Å; K109-R165 HydrophobicContact CD-CB 3.68Å; K109-R165 WeakPolarHBondContact CD-O 3.31Å; V110-R165 PolarHBondContact N-O 3.04Å; N159-R165 PolarHBondContact OD1-N 2.78Å; R165-E236 WeakPolarHBondContact CD-OE2 3.44Å; R165-E236 IonicContact CZ-OE2 3.71Å; R165-E236 IonicContact NE-OE2 3.15Å; R165-E236 IonicContact NH1-OE2 3.54Å; R165-E236 PolarHBondContact NH1-OE2 3.39Å
166Y98.6Very high97.7Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-84.2124.7172.5-652.2000107.9L99 H103 V107 V110 Y158 N159 Y164L99-Y166 HydrophobicContact CD2-CD2 3.91Å; L99-Y166 HydrophobicContact CD2-CE2 4.17Å; H103-Y166 PolarHBondContact N-OH 2.92Å; V107-Y166 WeakPolarHBondContact O-CE1 3.38Å; V107-Y166 PolarHBondContact O-OH 3.03Å; V110-Y166 HydrophobicContact CB-CD1 3.61Å; V110-Y166 HydrophobicContact CB-CE1 4.02Å; V110-Y166 HydrophobicContact CB-CG 3.97Å; V110-Y166 HydrophobicContact CG2-CD1 3.5Å; V110-Y166 VanDerWaalsContact CG2-CD1 3.5Å; V110-Y166 HydrophobicContact CG2-CD2 4.43Å; V110-Y166 HydrophobicContact CG2-CE1 3.33Å; V110-Y166 HydrophobicContact CG2-CE2 4.27Å; V110-Y166 HydrophobicContact CG2-CG 4.08Å; Y158-Y166 HydrophobicContact CD1-CE2 4.2Å; Y158-Y166 AromaticContact CD2-CD2 3.97Å; Y158-Y166 HydrophobicContact CD2-CD2 3.97Å; Y158-Y166 HydrophobicContact CD2-CE2 4.07Å; Y158-Y166 AromaticContact CG-CD2 3.86Å; Y158-Y166 HydrophobicContact CG-CD2 3.86Å; Y158-Y166 AromaticContact CG-CE2 3.81Å; Y158-Y166 HydrophobicContact CG-CE2 3.81Å; N159-Y166 PolarHBondContact ND2-O 3.42Å; N159-Y166 PolarHBondContact OD1-N 3.26Å; Y164-Y166 HydrophobicContact CD2-CD1 4.46Å; Y164-Y166 HydrophobicContact CD2-CD2 4.4Å; Y164-Y166 AromaticContact CD2-CE1 3.79Å; Y164-Y166 HydrophobicContact CD2-CE1 3.79Å; Y164-Y166 AromaticContact CD2-CE2 3.75Å; Y164-Y166 HydrophobicContact CD2-CE2 3.75Å; Y164-Y166 AromaticContact CD2-CZ 3.4Å; Y164-Y166 WeakPolarHBondContact CD2-OH 3.5Å; Y164-Y166 HydrophobicContact CE2-CE2 4.34Å; Y164-Y166 AromaticContact CE2-CZ 3.91Å; Y164-Y166 WeakPolarHBondContact CE2-OH 3.43Å; Y164-Y166 HydrophobicContact CG-CD1 4.44Å; Y164-Y166 AromaticContact CG-CE1 3.92Å; Y164-Y166 HydrophobicContact CG-CE1 3.92Å
167T98.7Very high97.6Very high1 Ų136.5 Ų36.51%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-146.4-178.4179-176.40000109.4V110 I111 S112 N155 Y235 T238 E239V110-T167 PolarHBondContact O-N 3.4Å; I111-T167 HydrophobicContact CD1-CG2 3.45Å; I111-T167 VanDerWaalsContact CD1-CG2 3.45Å; S112-T167 PolarHBondContact N-O 3.29Å; N155-T167 PolarHBondContact ND2-O 3.15Å; T167-Y235 HydrophobicContact CG2-CD1 4.17Å; T167-Y235 HydrophobicContact CG2-CE1 4.4Å; T167-T238 WeakPolarHBondContact CB-O 3.13Å; T167-T238 PolarHBondContact OG1-O 2.88Å; T167-E239 PolarHBondContact OG1-O 3.39Å
168S98.6Very high97.5Very high1 Ų137 Ų371%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-139.9148.8174.269.60000113.3S112 P240 I241S112-S168 CarbonylContact O-C 3.28Å; S112-S168 WeakPolarHBondContact O-CA 3.49Å; S112-S168 WeakPolarHBondContact O-CB 3.45Å; S168-P240 VanDerWaalsContact O-CA 3.22Å; S168-P240 WeakPolarHBondContact O-CA 3.48Å; S168-I241 PolarHBondContact O-N 3.38Å
169V98.7Very high97.4Very high1 Ų135.8 Ų35.81%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-85.1144.6160.9-62.40000109.5I111 S112 C113 T114 P171 I228 A231 I241I111-V169 HydrophobicContact CG2-CG1 4.1Å; S112-V169 PolarHBondContact O-N 2.88Å; C113-V169 HydrophobicContact CB-CG2 4.29Å; T114-V169 PolarHBondContact N-O 3.29Å; T114-V169 PolarHBondContact OG1-O 3.3Å; V169-P171 WeakPolarHBondContact O-CD 3.23Å; V169-I228 HydrophobicContact CB-CG1 4.49Å; V169-I228 HydrophobicContact CG1-CG1 4.15Å; V169-I228 HydrophobicContact CG2-CD1 4.1Å; V169-I228 HydrophobicContact CG2-CG1 3.77Å; V169-A231 HydrophobicContact CG1-CB 4.29Å; V169-I241 CarbonylContact C-O 3.55Å; V169-I241 WeakPolarHBondContact CA-O 3.45Å; V169-I241 HydrophobicContact CG1-CG2 4.1Å
170I98.6Very high97.2Very high0 Ų036.3 Ų36.30%019%0.191CC..EExtended strand (participates in β ladder)trans-114.688.9174.6-41.6-172.7000108.6T114 T116 I118 F119 E129 I132 P240 I241 I242 C243T114-I170 WeakPolarHBondContact OG1-CG1 3.21Å; T116-I170 HydrophobicContact CG2-CG2 4.36Å; I118-I170 HydrophobicContact CD1-CD1 4.4Å; F119-I170 HydrophobicContact CE2-CD1 4.48Å; F119-I170 HydrophobicContact CE2-CG2 3.92Å; F119-I170 HydrophobicContact CZ-CD1 3.99Å; F119-I170 HydrophobicContact CZ-CG2 4.43Å; E129-I170 HydrophobicContact CG-CD1 4.42Å; I132-I170 HydrophobicContact CD1-CD1 3.7Å; I132-I170 HydrophobicContact CG1-CD1 4.21Å; I170-P240 HydrophobicContact CD1-CB 3.67Å; I170-P240 HydrophobicContact CD1-CG 4.5Å; I170-P240 HydrophobicContact CG1-CB 3.85Å; I170-I241 PolarHBondContact N-O 2.99Å; I170-I242 HydrophobicContact CB-CG1 3.99Å; I170-I242 HydrophobicContact CD1-CG1 4.23Å; I170-I242 HydrophobicContact CG1-CG1 4.46Å; I170-I242 HydrophobicContact CG2-CG1 4.46Å; I170-I242 WeakPolarHBondContact O-CA 3.27Å; I170-C243 PolarHBondContact O-N 2.82Å
171P97.8Very high97Very high5 Ų530.6 Ų30.63%0.03216%0.16CC..EExtended strand (participates in β ladder)trans-73.3150.1176.230-34.7000111.9T116 V169 V174 L224 C243T116-P171 PolarHBondContact N-O 2.9Å; V169-P171 WeakPolarHBondContact O-CD 3.23Å; P171-V174 HydrophobicContact CB-CG2 3.62Å; P171-V174 HydrophobicContact CG-CG2 4.13Å; P171-L224 HydrophobicContact CB-CD1 3.99Å; P171-L224 HydrophobicContact CB-CD2 3.68Å; P171-L224 HydrophobicContact CG-CD2 4.23Å; P171-C243 WeakPolarHBondContact CA-O 3.31Å
172C95.3Very high96.8Very high7 Ų728 Ų285%0.04714%0.143CC..SBendtrans-75.6-146.8163.165.10000111.2T116 V174 Q217 I219 C243 A244T116-C172 HydrophobicContact CG2-CB 4.26Å; C172-V174 PolarHBondContact O-N 2.9Å; C172-V174 VanDerWaalsContact O-N 3.13Å; C172-Q217 HydrophobicContact CB-CB 3.97Å; C172-Q217 PolarHBondContact SG-O 3.21Å; C172-I219 VanDerWaalsContact SG-CG2 3.59Å; C172-C243 PolarHBondContact N-O 3.44Å; C172-A244 HydrophobicContact CB-CB 3.94Å
173N95.1Very high96.5Very high48 Ų4826 Ų2626%0.25714%0.14SC..EExtended strand (participates in β ladder)trans-76.5105.1-179.4-56.4-81.5000109.3Q217 F218 I219N173-Q217 WeakPolarHBondContact CB-O 3.46Å; N173-Q217 PolarHBondContact N-O 3.32Å; N173-Q217 PolarHBondContact ND2-O 3.03Å; N173-F218 HydrophobicContact CB-CD1 3.54Å; N173-F218 HydrophobicContact CB-CE1 3.7Å; N173-F218 HydrophobicContact CB-CG 4.41Å; N173-F218 CarbonylContact O-C 3.52Å; N173-F218 VanDerWaalsContact O-CA 3.27Å; N173-F218 WeakPolarHBondContact O-CA 3.39Å; N173-I219 PolarHBondContact O-N 2.97Å
174V96.9Very high95.9Very high22 Ų2225.9 Ų25.913%0.13313%0.133CC..EExtended strand (participates in β ladder)trans-81139.6-179.9-1650000110M17 I18 P171 C172 I219 L224M17-V174 HydrophobicContact CE-CB 3.68Å; M17-V174 HydrophobicContact CE-CG1 3.57Å; M17-V174 HydrophobicContact SD-CG1 4.19Å; I18-V174 HydrophobicContact CD1-CG2 4.44Å; I18-V174 HydrophobicContact CG1-CG1 4.25Å; P171-V174 HydrophobicContact CB-CG2 3.62Å; P171-V174 HydrophobicContact CG-CG2 4.13Å; C172-V174 PolarHBondContact O-N 2.9Å; C172-V174 VanDerWaalsContact O-N 3.13Å; V174-I219 WeakPolarHBondContact CA-O 3.24Å; V174-I219 HydrophobicContact CB-CG2 4.33Å; V174-I219 HydrophobicContact CG1-CG2 4.48Å; V174-I219 HydrophobicContact CG2-CG2 3.91Å; V174-L224 HydrophobicContact CB-CD2 4.35Å; V174-L224 HydrophobicContact CG1-CD2 3.84Å; V174-L224 HydrophobicContact CG2-CD2 3.51Å
175F97.6Very high95Very high2 Ų229.7 Ų29.71%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-143.3157.4171.773.2-77.2000111.3L189 F218 I219 Y220 S221 F302 A305 L306 T309F175-L189 HydrophobicContact CB-CD1 3.81Å; F175-L189 HydrophobicContact CB-CD2 3.69Å; F175-L189 HydrophobicContact CB-CG 4.25Å; F175-L189 HydrophobicContact CD1-CD1 3.94Å; F175-L189 HydrophobicContact CD2-CD1 3.93Å; F175-L189 HydrophobicContact CD2-CD2 3.98Å; F175-L189 HydrophobicContact CE2-CD1 4.49Å; F175-L189 HydrophobicContact CG-CD1 3.61Å; F175-L189 HydrophobicContact CG-CD2 4.05Å; F175-L189 HydrophobicContact CG-CG 4.46Å; F175-F218 HydrophobicContact CD1-CB 3.87Å; F175-F218 HydrophobicContact CD1-CD1 4.42Å; F175-F218 HydrophobicContact CE1-CB 3.72Å; F175-I219 WeakPolarHBondContact CD1-O 3.34Å; F175-I219 PolarHBondContact N-O 3.1Å; F175-I219 VanDerWaalsContact N-O 3.14Å; F175-Y220 HydrophobicContact CE2-CD2 4.25Å; F175-Y220 HydrophobicContact CZ-CD2 4.48Å; F175-Y220 CarbonylContact O-C 3.43Å; F175-Y220 WeakPolarHBondContact O-CD2 3.34Å; F175-S221 WeakPolarHBondContact O-CB 3.23Å; F175-S221 PolarHBondContact O-N 2.93Å; F175-F302 HydrophobicContact CE1-CD2 4.16Å; F175-F302 AromaticContact CE1-CE2 4Å; F175-F302 HydrophobicContact CE1-CE2 4Å; F175-F302 AromaticContact CZ-CD2 3.94Å; F175-F302 HydrophobicContact CZ-CD2 3.94Å; F175-F302 AromaticContact CZ-CE2 3.88Å; F175-F302 HydrophobicContact CZ-CE2 3.88Å; F175-A305 HydrophobicContact CE2-CB 3.91Å; F175-A305 HydrophobicContact CZ-CB 3.63Å; F175-L306 HydrophobicContact CE2-CB 4.45Å; F175-L306 HydrophobicContact CE2-CD1 4.41Å; F175-T309 HydrophobicContact CD2-CG2 4.39Å
176G98Very high94Very high0 Ų026.1 Ų26.10%014%0.143CC..  trans161.2-175.3176.800000113.7M17 D179 T309M17-G176 PolarHBondContact SD-N 3.43Å; M17-G176 VanDerWaalsContact SD-N 3.38Å; G176-D179 WeakPolarHBondContact O-CB 3.42Å; G176-D179 PolarHBondContact O-N 2.89Å; G176-T309 WeakPolarHBondContact CA-OG1 3.23Å
177P97Very high93.3Very high20 Ų2030.1 Ų30.113%0.1316%0.162CC..THydrogen-bonded Turntrans-48.1147.8166.9-31.638.4000113.4D179 W312P177-D179 PolarHBondContact O-N 2.96Å; P177-W312 HydrophobicContact CB-CB 4.29Å; P177-W312 HydrophobicContact CB-CD2 3.67Å; P177-W312 HydrophobicContact CB-CE3 4.29Å; P177-W312 HydrophobicContact CB-CG 3.62Å; P177-W312 HydrophobicContact CG-CB 4Å; P177-W312 HydrophobicContact CG-CD2 4.36Å; P177-W312 HydrophobicContact CG-CG 3.85Å
178Y96.5Very high92.7Very high108 Ų10833 Ų3342%0.42418%0.182SC..THydrogen-bonded Turntrans65.514.1179.9-49-86.2000116.3K20 W312K20-Y178 HydrophobicContact CB-CD2 3.54Å; K20-Y178 HydrophobicContact CB-CE2 3.98Å; K20-Y178 HydrophobicContact CB-CG 3.96Å; K20-Y178 HydrophobicContact CG-CD1 4.15Å; K20-Y178 HydrophobicContact CG-CD2 3.87Å; K20-Y178 HydrophobicContact CG-CE2 4.26Å; K20-Y178 HydrophobicContact CG-CG 3.82Å; Y178-W312 HydrophobicContact CD1-CH2 4.06Å; Y178-W312 AromaticContact CD1-CZ2 3.46Å; Y178-W312 HydrophobicContact CD1-CZ2 3.46Å; Y178-W312 VanDerWaalsContact CD1-CZ2 3.46Å; Y178-W312 HydrophobicContact CD2-CZ2 4.16Å; Y178-W312 AromaticContact CE1-CZ2 3.62Å; Y178-W312 HydrophobicContact CE1-CZ2 3.62Å; Y178-W312 HydrophobicContact CE2-CZ2 4.3Å; Y178-W312 AromaticContact CE2-NE1 3.95Å; Y178-W312 HydrophobicContact CG-CH2 4.24Å; Y178-W312 AromaticContact CG-CZ2 3.75Å; Y178-W312 HydrophobicContact CG-CZ2 3.75Å; Y178-W312 AromaticContact CZ-NE1 3.91Å; Y178-W312 VanDerWaalsContact N-CZ3 3.34Å
179D95.5Very high92.5Very high7 Ų733.1 Ų33.14%0.03718%0.182CC..  trans-65.7173170.8-151.9-12.3000112.6M17 G176 P177 F181 P190M17-D179 HydrophobicContact SD-CB 3.72Å; M17-D179 VanDerWaalsContact SD-CG 3.53Å; G176-D179 WeakPolarHBondContact O-CB 3.42Å; G176-D179 PolarHBondContact O-N 2.89Å; P177-D179 PolarHBondContact O-N 2.96Å; D179-F181 HydrophobicContact CB-CD2 4.34Å; D179-F181 HydrophobicContact CB-CE2 3.76Å; D179-F181 HydrophobicContact CB-CZ 4.04Å; D179-F181 VanDerWaalsContact O-CD2 3.29Å; D179-F181 WeakPolarHBondContact O-CD2 3.39Å; D179-P190 HydrophobicContact CB-CB 4.18Å; D179-P190 WeakPolarHBondContact OD2-CG 3.36Å
180N93.4Very high92.3Very high23 Ų2333.1 Ų33.112%0.12318%0.182CC..BIsolated β-bridgetrans-90.7101.7169.1-172.315.8000110.5N182 G186 P190N180-N182 VanDerWaalsContact C-N 3.25Å; N180-N182 PolarHBondContact O-N 3.4Å; N180-N182 VanDerWaalsContact OD1-CB 3.3Å; N180-N182 WeakPolarHBondContact OD1-CB 3.4Å; N180-N182 PolarHBondContact OD1-N 3.43Å; N180-G186 WeakPolarHBondContact O-CA 3.42Å; N180-P190 WeakPolarHBondContact O-CG 3.34Å
181F95Very high92.1Very high0 Ų033.7 Ų33.70%019%0.187CC..  trans-87.312.6179.2-62.4-96.2000113D179 L183 P190 I193 H194 T309 W312 F313 A320 R321D179-F181 HydrophobicContact CB-CD2 4.34Å; D179-F181 HydrophobicContact CB-CE2 3.76Å; D179-F181 HydrophobicContact CB-CZ 4.04Å; D179-F181 VanDerWaalsContact O-CD2 3.29Å; D179-F181 WeakPolarHBondContact O-CD2 3.39Å; F181-L183 PolarHBondContact O-N 3.02Å; F181-P190 HydrophobicContact CD1-CB 3.66Å; F181-P190 VanDerWaalsContact CD1-O 3.3Å; F181-P190 WeakPolarHBondContact CD1-O 3.43Å; F181-P190 HydrophobicContact CE1-CB 3.87Å; F181-P190 HydrophobicContact CG-CB 4.05Å; F181-P190 HydrophobicContact CZ-CB 4.43Å; F181-I193 HydrophobicContact CD1-CB 4.3Å; F181-I193 HydrophobicContact CD1-CG2 4.22Å; F181-I193 HydrophobicContact CE1-CB 4.24Å; F181-I193 HydrophobicContact CE1-CD1 4.15Å; F181-I193 HydrophobicContact CE1-CG2 4.05Å; F181-H194 HydrophobicContact CB-CB 4.28Å; F181-H194 WeakPolarHBondContact O-CB 3.43Å; F181-H194 PolarHBondContact O-ND1 3.28Å; F181-T309 HydrophobicContact CE1-CG2 4.45Å; F181-T309 HydrophobicContact CZ-CG2 4.19Å; F181-W312 HydrophobicContact CE2-CE3 4.28Å; F181-W312 AromaticContact CE2-CZ3 3.73Å; F181-W312 HydrophobicContact CE2-CZ3 3.73Å; F181-W312 HydrophobicContact CZ-CE3 4.41Å; F181-W312 HydrophobicContact CZ-CZ3 4.31Å; F181-F313 HydrophobicContact CB-CD2 4.07Å; F181-F313 HydrophobicContact CB-CE2 3.5Å; F181-F313 VanDerWaalsContact CB-CE2 3.5Å; F181-F313 HydrophobicContact CB-CZ 4.18Å; F181-F313 HydrophobicContact CD1-CB 4.5Å; F181-F313 AromaticContact CD1-CD2 3.44Å; F181-F313 HydrophobicContact CD1-CD2 3.44Å; F181-F313 VanDerWaalsContact CD1-CD2 3.44Å; F181-F313 AromaticContact CD1-CE2 3.69Å; F181-F313 HydrophobicContact CD1-CE2 3.69Å; F181-F313 AromaticContact CD1-CG 3.94Å; F181-F313 HydrophobicContact CD1-CG 3.94Å; F181-F313 HydrophobicContact CD1-CZ 4.35Å; F181-F313 AromaticContact CD2-CD2 3.73Å; F181-F313 HydrophobicContact CD2-CD2 3.73Å; F181-F313 HydrophobicContact CD2-CE2 4Å; F181-F313 HydrophobicContact CE1-CB 4Å; F181-F313 AromaticContact CE1-CD2 3.74Å; F181-F313 HydrophobicContact CE1-CD2 3.74Å; F181-F313 HydrophobicContact CE1-CE2 4.44Å; F181-F313 AromaticContact CE1-CG 3.94Å; F181-F313 HydrophobicContact CE1-CG 3.94Å; F181-F313 HydrophobicContact CE2-CD2 4.01Å; F181-F313 AromaticContact CG-CD2 3.46Å; F181-F313 HydrophobicContact CG-CD2 3.46Å; F181-F313 VanDerWaalsContact CG-CD2 3.46Å; F181-F313 AromaticContact CG-CE2 3.45Å; F181-F313 HydrophobicContact CG-CE2 3.45Å; F181-F313 VanDerWaalsContact CG-CE2 3.45Å; F181-F313 HydrophobicContact CG-CG 4.4Å; F181-F313 HydrophobicContact CG-CZ 4.37Å; F181-F313 HydrophobicContact CZ-CB 4.17Å; F181-F313 HydrophobicContact CZ-CD2 4.02Å; F181-F313 HydrophobicContact CZ-CG 4.39Å; F181-A320 HydrophobicContact CD2-CB 4.49Å; F181-R321 WeakPolarHBondContact CA-O 3.47Å; F181-R321 WeakPolarHBondContact CB-O 3.09Å; F181-R321 PolarHBondContact N-O 3.38Å
182N93Very high92Very high38 Ų3834 Ų3420%0.20319%0.188CC..  trans-61.9134.9176.8-176.1-85.5000111.9N180 A184 E185 G186 K322N180-N182 VanDerWaalsContact C-N 3.25Å; N180-N182 PolarHBondContact O-N 3.4Å; N180-N182 VanDerWaalsContact OD1-CB 3.3Å; N180-N182 WeakPolarHBondContact OD1-CB 3.4Å; N180-N182 PolarHBondContact OD1-N 3.43Å; N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 3.29Å; N182-A184 PolarHBondContact OD1-N 3.15Å; N182-E185 HydrophobicContact CB-CB 4.39Å; N182-E185 PolarHBondContact OD1-N 3.34Å; N182-G186 VanDerWaalsContact O-CA 3.23Å; N182-G186 WeakPolarHBondContact O-CA 3.3Å; N182-G186 PolarHBondContact O-N 2.69Å; N182-K322 WeakPolarHBondContact CA-OXT 3.33Å; N182-K322 WeakPolarHBondContact CB-OXT 3.29Å; N182-K322 PolarHBondContact ND2-OXT 2.96Å
183L91.1Very high92.1Very high79 Ų7933.6 Ų33.641%0.41419%0.186SC..THydrogen-bonded Turntrans-69.5-24.7-173.3-62.7175.9000114.1F181 H194 K195 L198F181-L183 PolarHBondContact O-N 3.02Å; L183-H194 HydrophobicContact CD2-CB 3.86Å; L183-K195 HydrophobicContact CD2-CG 3.67Å; L183-L198 HydrophobicContact CD1-CD1 3.82Å
184A83.8Confident92.2Very high62 Ų6231.8 Ų31.851%0.51218%0.175SC..THydrogen-bonded Turntrans-103.9-39.4-177.100000112.6N182N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 3.29Å; N182-A184 PolarHBondContact OD1-N 3.15Å
185E78.4Confident92.2Very high110 Ų11033.5 Ų33.551%0.51418%0.181SC..THydrogen-bonded Turntrans-102.7-12.6-174.2-58.9-169.1161.400114G76 N182G76-E185 WeakPolarHBondContact CA-O 3.27Å; G76-E185 PolarHBondContact N-O 3.49Å; N182-E185 HydrophobicContact CB-CB 4.39Å; N182-E185 PolarHBondContact OD1-N 3.34Å
186G77.5Confident92.2Very high14 Ų1433.4 Ų33.414%0.14418%0.181CC..SBendtrans-72.8165.3179.700000113.5N180 N182N180-G186 WeakPolarHBondContact O-CA 3.42Å; N182-G186 VanDerWaalsContact O-CA 3.23Å; N182-G186 WeakPolarHBondContact O-CA 3.3Å; N182-G186 PolarHBondContact O-N 2.69Å
187H83.5Confident92.2Very high85 Ų8534.6 Ų34.639%0.39419%0.186SC..  trans-74.6164.9169.1-59.8116.4000110.8L189 P190 A191H187-L189 PolarHBondContact O-N 3.39Å; H187-P190 HydrophobicContact CB-CG 3.92Å; H187-P190 VanDerWaalsContact O-CD 3.26Å; H187-P190 WeakPolarHBondContact O-CD 3.31Å; H187-P190 WeakPolarHBondContact O-CG 3.07Å; H187-A191 WeakPolarHBondContact O-CB 3.36Å; H187-A191 PolarHBondContact O-N 3.09Å
188S85.7Confident92.3Very high62 Ų6235.9 Ų35.943%0.43419%0.192SC..Hα-helixtrans-55.6-46.8-172.952.20000113.6L192S188-L192 WeakPolarHBondContact O-CB 3.06Å; S188-L192 PolarHBondContact O-N 2.83Å
189L94.4Very high92.3Very high3 Ų330.9 Ų30.92%0.01617%0.173CC..Hα-helixtrans-66.1-56.6-178.7-173.8160.2000113F175 H187 A191 L192 I193 F218 L256 F302 L306F175-L189 HydrophobicContact CB-CD1 3.81Å; F175-L189 HydrophobicContact CB-CD2 3.69Å; F175-L189 HydrophobicContact CB-CG 4.25Å; F175-L189 HydrophobicContact CD1-CD1 3.94Å; F175-L189 HydrophobicContact CD2-CD1 3.93Å; F175-L189 HydrophobicContact CD2-CD2 3.98Å; F175-L189 HydrophobicContact CE2-CD1 4.49Å; F175-L189 HydrophobicContact CG-CD1 3.61Å; F175-L189 HydrophobicContact CG-CD2 4.05Å; F175-L189 HydrophobicContact CG-CG 4.46Å; H187-L189 PolarHBondContact O-N 3.39Å; L189-A191 VanDerWaalsContact C-N 3.3Å; L189-A191 PolarHBondContact O-N 3.12Å; L189-L192 PolarHBondContact O-N 3.08Å; L189-L192 VanDerWaalsContact O-N 3.07Å; L189-I193 HydrophobicContact CD2-CD1 3.53Å; L189-I193 HydrophobicContact CD2-CG1 4.15Å; L189-I193 PolarHBondContact O-N 3.49Å; L189-F218 HydrophobicContact CB-CD1 4.47Å; L189-F218 HydrophobicContact CB-CE1 3.97Å; L189-F218 HydrophobicContact CD1-CD1 3.65Å; L189-F218 HydrophobicContact CD1-CE1 3.85Å; L189-F218 HydrophobicContact CD1-CG 4.17Å; L189-L256 HydrophobicContact CB-CD2 4.31Å; L189-L256 HydrophobicContact CD1-CD1 3.69Å; L189-L256 HydrophobicContact CG-CD1 3.87Å; L189-F302 HydrophobicContact CD1-CE2 4.39Å; L189-L306 HydrophobicContact CD1-CD1 4.29Å; L189-L306 HydrophobicContact CD2-CD1 4.17Å; L189-L306 HydrophobicContact CG-CD1 4.39Å
190P94.9Very high92.4Very high1 Ų135.3 Ų35.31%0.00619%0.191CC..Hα-helixtrans-63.9-35.6-179.727.6-38.5000112.2D179 N180 F181 H187 L192 I193 H194D179-P190 HydrophobicContact CB-CB 4.18Å; D179-P190 WeakPolarHBondContact OD2-CG 3.36Å; N180-P190 WeakPolarHBondContact O-CG 3.34Å; F181-P190 HydrophobicContact CD1-CB 3.66Å; F181-P190 VanDerWaalsContact CD1-O 3.3Å; F181-P190 WeakPolarHBondContact CD1-O 3.43Å; F181-P190 HydrophobicContact CE1-CB 3.87Å; F181-P190 HydrophobicContact CG-CB 4.05Å; F181-P190 HydrophobicContact CZ-CB 4.43Å; H187-P190 HydrophobicContact CB-CG 3.92Å; H187-P190 VanDerWaalsContact O-CD 3.26Å; H187-P190 WeakPolarHBondContact O-CD 3.31Å; H187-P190 WeakPolarHBondContact O-CG 3.07Å; P190-L192 VanDerWaalsContact C-N 3.33Å; P190-L192 PolarHBondContact O-N 3.24Å; P190-I193 PolarHBondContact O-N 3.21Å; P190-H194 PolarHBondContact O-N 3.04Å; P190-H194 VanDerWaalsContact O-N 3.09Å
191A93.4Very high92.6Very high11 Ų1138.9 Ų38.99%0.09121%0.21CC..Hα-helixtrans-63.9-38173.300000111.9H187 L189 H194 K195H187-A191 WeakPolarHBondContact O-CB 3.36Å; H187-A191 PolarHBondContact O-N 3.09Å; L189-A191 VanDerWaalsContact C-N 3.3Å; L189-A191 PolarHBondContact O-N 3.12Å; A191-H194 PolarHBondContact O-N 3.09Å; A191-K195 WeakPolarHBondContact O-CG 3.12Å; A191-K195 PolarHBondContact O-N 3.05Å
192L95.4Very high92.7Very high11 Ų1144.1 Ų44.16%0.05824%0.238CC..Hα-helixtrans-71.2-36178.5-171.658.6000112.5S188 L189 P190 H194 K195 C196 L206 V208 L256 A257 I260S188-L192 WeakPolarHBondContact O-CB 3.06Å; S188-L192 PolarHBondContact O-N 2.83Å; L189-L192 PolarHBondContact O-N 3.08Å; L189-L192 VanDerWaalsContact O-N 3.07Å; P190-L192 VanDerWaalsContact C-N 3.33Å; P190-L192 PolarHBondContact O-N 3.24Å; L192-H194 VanDerWaalsContact C-N 3.33Å; L192-H194 PolarHBondContact O-N 3.06Å; L192-K195 PolarHBondContact O-N 2.84Å; L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 2.82Å; L192-L206 HydrophobicContact CD1-CD1 3.86Å; L192-L206 HydrophobicContact CD1-CD2 4.24Å; L192-L206 HydrophobicContact CD1-CG 4.28Å; L192-V208 HydrophobicContact CD1-CG2 4.04Å; L192-L256 HydrophobicContact CD2-CD2 4.29Å; L192-L256 HydrophobicContact CD2-CG 4.25Å; L192-A257 HydrophobicContact CD2-CB 3.97Å; L192-I260 HydrophobicContact CB-CD1 3.82Å; L192-I260 HydrophobicContact CD2-CD1 3.73Å; L192-I260 HydrophobicContact CG-CD1 3.66Å
193I97.9Very high92.9Very high0 Ų045.8 Ų45.80%027%0.265CS..Hα-helixtrans-56.9-48.5168.9-69.6177.8000110.1F181 L189 P190 C196 F197 I260 M264 L306 T309 V310 F313F181-I193 HydrophobicContact CD1-CB 4.3Å; F181-I193 HydrophobicContact CD1-CG2 4.22Å; F181-I193 HydrophobicContact CE1-CB 4.24Å; F181-I193 HydrophobicContact CE1-CD1 4.15Å; F181-I193 HydrophobicContact CE1-CG2 4.05Å; L189-I193 HydrophobicContact CD2-CD1 3.53Å; L189-I193 HydrophobicContact CD2-CG1 4.15Å; L189-I193 PolarHBondContact O-N 3.49Å; P190-I193 PolarHBondContact O-N 3.21Å; I193-C196 PolarHBondContact O-N 3.27Å; I193-F197 PolarHBondContact O-N 3.01Å; I193-I260 HydrophobicContact CG1-CD1 3.94Å; I193-I260 HydrophobicContact CG1-CG1 4.09Å; I193-I260 HydrophobicContact CG1-CG2 4.33Å; I193-M264 HydrophobicContact CG2-CE 3.97Å; I193-M264 WeakPolarHBondContact O-CE 3.4Å; I193-L306 HydrophobicContact CD1-CD1 4.16Å; I193-T309 HydrophobicContact CD1-CG2 3.83Å; I193-V310 HydrophobicContact CD1-CG2 3.89Å; I193-V310 HydrophobicContact CG1-CG2 4.02Å; I193-V310 HydrophobicContact CG2-CG2 4.23Å; I193-F313 HydrophobicContact CG2-CB 4.18Å; I193-F313 HydrophobicContact CG2-CD1 3.6Å; I193-F313 HydrophobicContact CG2-CE1 4.19Å; I193-F313 HydrophobicContact CG2-CG 3.98Å
194H97.6Very high93.2Very high9 Ų945.2 Ų45.24%0.04226%0.264CS..Hα-helixtrans-65.9-41.5-179.9-169.9-174.2000112.2F181 L183 P190 A191 L192 C196 F197 L198 F313 Y317F181-H194 HydrophobicContact CB-CB 4.28Å; F181-H194 WeakPolarHBondContact O-CB 3.43Å; F181-H194 PolarHBondContact O-ND1 3.28Å; L183-H194 HydrophobicContact CD2-CB 3.86Å; P190-H194 PolarHBondContact O-N 3.04Å; P190-H194 VanDerWaalsContact O-N 3.09Å; A191-H194 PolarHBondContact O-N 3.09Å; L192-H194 VanDerWaalsContact C-N 3.33Å; L192-H194 PolarHBondContact O-N 3.06Å; H194-C196 VanDerWaalsContact C-N 3.34Å; H194-C196 PolarHBondContact O-N 2.86Å; H194-F197 WeakPolarHBondContact O-CB 3.37Å; H194-F197 PolarHBondContact O-N 3.37Å; H194-L198 WeakPolarHBondContact O-CG 3.33Å; H194-L198 PolarHBondContact O-N 3.33Å; H194-F313 HydrophobicContact CB-CE1 4.3Å; H194-F313 HydrophobicContact CB-CZ 3.87Å; H194-F313 AromaticContact CD2-CZ 3.64Å; H194-F313 AromaticContact CG-CZ 3.74Å; H194-Y317 AromaticContact CD2-CE2 3.87Å; H194-Y317 AromaticContact NE2-CE2 3.61Å; H194-Y317 AromaticContact NE2-CZ 3.86Å; H194-Y317 PolarHBondContact NE2-OH 3.38Å
195K97.1Very high93.8Very high58 Ų5844.5 Ų44.525%0.25226%0.255SS..Hα-helixtrans-58.5-44.7173.2-73.9-179.5176.7-172.60112.1L183 A191 L192 F197 L198 A199 L206L183-K195 HydrophobicContact CD2-CG 3.67Å; A191-K195 WeakPolarHBondContact O-CG 3.12Å; A191-K195 PolarHBondContact O-N 3.05Å; L192-K195 PolarHBondContact O-N 2.84Å; K195-F197 VanDerWaalsContact C-N 3.35Å; K195-L198 PolarHBondContact O-N 3.02Å; K195-A199 VanDerWaalsContact O-CB 3.3Å; K195-A199 WeakPolarHBondContact O-CB 3.42Å; K195-A199 PolarHBondContact O-N 3.27Å; K195-L206 HydrophobicContact CB-CD1 3.64Å
196C98Very high94.7Very high0 Ų039.3 Ų39.30%023%0.23CC..Hα-helixtrans-63.8-41.2178.5-1720000111.6L192 I193 H194 L198 A199 K200 L206 I260 M264L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 2.82Å; I193-C196 PolarHBondContact O-N 3.27Å; H194-C196 VanDerWaalsContact C-N 3.34Å; H194-C196 PolarHBondContact O-N 2.86Å; C196-L198 PolarHBondContact O-N 2.88Å; C196-A199 PolarHBondContact O-N 2.98Å; C196-K200 WeakPolarHBondContact O-CB 3.37Å; C196-K200 PolarHBondContact O-N 3.23Å; C196-L206 HydrophobicContact CB-CD1 4.14Å; C196-L206 HydrophobicContact CB-CD2 3.98Å; C196-I260 HydrophobicContact CB-CG2 3.67Å; C196-M264 HydrophobicContact CB-CE 4.39Å
197F98Very high95.6Very high25 Ų2541.1 Ų41.111%0.1124%0.239CC..Hα-helixtrans-59-46.9174.4-179.5-96.7000112.1I193 H194 K195 K200 N201 M264 F313 V314 Y317I193-F197 PolarHBondContact O-N 3.01Å; H194-F197 WeakPolarHBondContact O-CB 3.37Å; H194-F197 PolarHBondContact O-N 3.37Å; K195-F197 VanDerWaalsContact C-N 3.35Å; F197-K200 PolarHBondContact O-N 3.46Å; F197-N201 WeakPolarHBondContact CE1-ND2 3.47Å; F197-N201 VanDerWaalsContact CZ-ND2 3.26Å; F197-N201 WeakPolarHBondContact CZ-ND2 3.34Å; F197-N201 VanDerWaalsContact O-CG 3.32Å; F197-N201 PolarHBondContact O-N 2.65Å; F197-N201 VanDerWaalsContact O-N 3.12Å; F197-N201 PolarHBondContact O-ND2 2.8Å; F197-M264 HydrophobicContact CB-CE 3.83Å; F197-M264 HydrophobicContact CB-SD 4.3Å; F197-M264 HydrophobicContact CD2-SD 4.12Å; F197-F313 HydrophobicContact CB-CD1 4.48Å; F197-F313 HydrophobicContact CB-CE1 3.81Å; F197-F313 HydrophobicContact CD1-CE1 4.27Å; F197-F313 HydrophobicContact CD2-CE1 4.37Å; F197-F313 AromaticContact CG-CE1 3.91Å; F197-F313 HydrophobicContact CG-CE1 3.91Å; F197-V314 HydrophobicContact CD2-CG2 3.99Å; F197-V314 HydrophobicContact CE2-CG1 4.43Å; F197-V314 HydrophobicContact CE2-CG2 4.14Å; F197-Y317 AromaticContact CD1-CD2 3.87Å; F197-Y317 HydrophobicContact CD1-CD2 3.87Å; F197-Y317 AromaticContact CD1-CE2 3.51Å; F197-Y317 HydrophobicContact CD1-CE2 3.51Å; F197-Y317 HydrophobicContact CE1-CD1 4.02Å; F197-Y317 AromaticContact CE1-CD2 3.48Å; F197-Y317 HydrophobicContact CE1-CD2 3.48Å; F197-Y317 VanDerWaalsContact CE1-CD2 3.48Å; F197-Y317 AromaticContact CE1-CE1 3.89Å; F197-Y317 HydrophobicContact CE1-CE1 3.89Å; F197-Y317 AromaticContact CE1-CE2 3.34Å; F197-Y317 HydrophobicContact CE1-CE2 3.34Å; F197-Y317 AromaticContact CE1-CG 3.83Å; F197-Y317 HydrophobicContact CE1-CG 3.83Å; F197-Y317 AromaticContact CE1-CZ 3.56Å; F197-Y317 HydrophobicContact CG-CE2 4.47Å; F197-Y317 HydrophobicContact CZ-CD1 4.24Å; F197-Y317 AromaticContact CZ-CD2 3.87Å; F197-Y317 HydrophobicContact CZ-CD2 3.87Å; F197-Y317 HydrophobicContact CZ-CE2 4.2Å; F197-Y317 AromaticContact CZ-CG 3.9Å; F197-Y317 HydrophobicContact CZ-CG 3.9Å
198L97.7Very high96.1Very high48 Ų4837.3 Ų37.325%0.25122%0.221SC..Hα-helixtrans-65.8-43.2177.2-66.2175.6000112L183 H194 K195 C196 K200 N201 N202L183-L198 HydrophobicContact CD1-CD1 3.82Å; H194-L198 WeakPolarHBondContact O-CG 3.33Å; H194-L198 PolarHBondContact O-N 3.33Å; K195-L198 PolarHBondContact O-N 3.02Å; C196-L198 PolarHBondContact O-N 2.88Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 2.8Å; L198-N201 PolarHBondContact O-N 3.45Å; L198-N202 VanDerWaalsContact O-CB 3.28Å; L198-N202 WeakPolarHBondContact O-CB 3.27Å; L198-N202 VanDerWaalsContact O-CG 3.24Å; L198-N202 PolarHBondContact O-N 3.34Å; L198-N202 PolarHBondContact O-ND2 3.42Å
199A98Very high96.3Very high3 Ų337.9 Ų37.93%0.02522%0.219CC..Hα-helixtrans-58.6-44.2176.900000111.5K195 C196 N201 N202 G203 T204 L206 F266K195-A199 VanDerWaalsContact O-CB 3.3Å; K195-A199 WeakPolarHBondContact O-CB 3.42Å; K195-A199 PolarHBondContact O-N 3.27Å; C196-A199 PolarHBondContact O-N 2.98Å; A199-N201 PolarHBondContact O-N 2.97Å; A199-N202 PolarHBondContact O-N 3.45Å; A199-G203 PolarHBondContact O-N 3.44Å; A199-T204 WeakPolarHBondContact CB-O 3.44Å; A199-T204 PolarHBondContact O-N 3.45Å; A199-L206 HydrophobicContact CB-CB 4.38Å; A199-F266 HydrophobicContact CB-CE2 3.82Å; A199-F266 HydrophobicContact CB-CZ 3.93Å
200K97.7Very high96.1Very high99 Ų9937.8 Ų37.843%0.4322%0.219SC..Hα-helixtrans-60.3-44.3175.5-172.8175.9178.8-178.60112.5C196 F197 L198 M264 G265 F266C196-K200 WeakPolarHBondContact O-CB 3.37Å; C196-K200 PolarHBondContact O-N 3.23Å; F197-K200 PolarHBondContact O-N 3.46Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 2.8Å; K200-M264 HydrophobicContact CD-CG 3.99Å; K200-M264 PolarHBondContact NZ-O 3.23Å; K200-G265 WeakPolarHBondContact CE-O 3.49Å; K200-G265 PolarHBondContact NZ-O 3.2Å; K200-F266 HydrophobicContact CB-CD2 3.77Å; K200-F266 HydrophobicContact CB-CE2 4.46Å; K200-F266 HydrophobicContact CG-CD2 4.31Å
201N96.6Very high96Very high98 Ų9839.2 Ų39.252%0.52423%0.229SC..Hα-helixtrans-75.4-30.3-177.6-67.8-16.8000113.1F197 L198 A199F197-N201 WeakPolarHBondContact CE1-ND2 3.47Å; F197-N201 VanDerWaalsContact CZ-ND2 3.26Å; F197-N201 WeakPolarHBondContact CZ-ND2 3.34Å; F197-N201 VanDerWaalsContact O-CG 3.32Å; F197-N201 PolarHBondContact O-N 2.65Å; F197-N201 VanDerWaalsContact O-N 3.12Å; F197-N201 PolarHBondContact O-ND2 2.8Å; L198-N201 PolarHBondContact O-N 3.45Å; A199-N201 PolarHBondContact O-N 2.97Å
202N97.2Very high95.9Very high110 Ų11038.7 Ų38.759%0.58823%0.225SC*.Hα-helixtrans-95.2-10-176.9-63.4-22.7000113.4L198 A199 T204L198-N202 VanDerWaalsContact O-CB 3.28Å; L198-N202 WeakPolarHBondContact O-CB 3.27Å; L198-N202 VanDerWaalsContact O-CG 3.24Å; L198-N202 PolarHBondContact O-N 3.34Å; L198-N202 PolarHBondContact O-ND2 3.42Å; A199-N202 PolarHBondContact O-N 3.45Å; N202-T204 VanDerWaalsContact C-N 3.3Å; N202-T204 HydrophobicContact CB-CG2 4.02Å; N202-T204 PolarHBondContact O-N 2.89Å
203G96.3Very high95.9Very high73 Ų7345.5 Ų45.575%0.75325%0.25SC*.THydrogen-bonded Turntrans67.629.5-175.400000113.4A199A199-G203 PolarHBondContact O-N 3.44Å
204T97.2Very high95.6Very high67 Ų6745.7 Ų45.741%0.41125%0.251SS..  trans-103.6161.7178.463.40000110.9A199 N202 F266A199-T204 WeakPolarHBondContact CB-O 3.44Å; A199-T204 PolarHBondContact O-N 3.45Å; N202-T204 VanDerWaalsContact C-N 3.3Å; N202-T204 HydrophobicContact CB-CG2 4.02Å; N202-T204 PolarHBondContact O-N 2.89Å; T204-F266 WeakPolarHBondContact O-CZ 3.02Å
205P97.2Very high95.4Very high47 Ų4747.6 Ų47.631%0.30526%0.261SS..  trans-60.2153.9169.3-21.733.5000112.5E269 E271P205-E269 CarbonylContact C-O 3.58Å; P205-E269 WeakPolarHBondContact CA-O 3.5Å; P205-E271 HydrophobicContact CB-CG 3.85Å; P205-E271 HydrophobicContact CG-CG 4.5Å
206L97.7Very high95.3Very high1 Ų146.2 Ų46.21%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-86108.8168.4173.857.7000109.6L192 K195 C196 A199 V261 F266 E269 E271L192-L206 HydrophobicContact CD1-CD1 3.86Å; L192-L206 HydrophobicContact CD1-CD2 4.24Å; L192-L206 HydrophobicContact CD1-CG 4.28Å; K195-L206 HydrophobicContact CB-CD1 3.64Å; C196-L206 HydrophobicContact CB-CD1 4.14Å; C196-L206 HydrophobicContact CB-CD2 3.98Å; A199-L206 HydrophobicContact CB-CB 4.38Å; L206-V261 HydrophobicContact CD2-CG2 3.67Å; L206-F266 HydrophobicContact CB-CE1 3.8Å; L206-F266 HydrophobicContact CB-CZ 4.23Å; L206-E269 PolarHBondContact N-O 2.88Å; L206-E271 PolarHBondContact O-N 3.24Å
207T95.6Very high95.2Very high52 Ų5246.4 Ų46.432%0.31926%0.256SS..EExtended strand (participates in β ladder)trans-86.9112.3176.3-45.30000112.3L209 E271 D273T207-L209 HydrophobicContact CG2-CD2 4.38Å; T207-E271 CarbonylContact C-O 3.54Å; T207-E271 WeakPolarHBondContact CA-O 3.37Å; T207-D273 HydrophobicContact CG2-CB 3.96Å
208V94.2Very high95.2Very high5 Ų545.7 Ų45.73%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-90.5131.9169.5-176.90000108.8L192 I253 A257 I270 E271 Y272 D273L192-V208 HydrophobicContact CD1-CG2 4.04Å; V208-I253 HydrophobicContact CG1-CG2 3.78Å; V208-A257 HydrophobicContact CG2-CB 3.77Å; V208-I270 HydrophobicContact CG2-CG2 3.76Å; V208-E271 PolarHBondContact N-O 3.16Å; V208-Y272 HydrophobicContact CB-CD1 3.85Å; V208-Y272 HydrophobicContact CB-CE1 3.94Å; V208-Y272 HydrophobicContact CG1-CD1 3.97Å; V208-Y272 HydrophobicContact CG1-CE1 3.91Å; V208-Y272 HydrophobicContact CG2-CE1 4.24Å; V208-Y272 WeakPolarHBondContact O-CA 3.42Å; V208-D273 PolarHBondContact O-N 3.17Å
209L91Very high95.2Very high75 Ų7543.4 Ų43.439%0.39324%0.241SC..EExtended strand (participates in β ladder)trans-85.4131.3179.5-53.5-174.5000110.1T207 D273 K276T207-L209 HydrophobicContact CG2-CD2 4.38Å; L209-D273 HydrophobicContact CD2-CB 4.26Å; L209-K276 HydrophobicContact CB-CB 4.05Å; L209-K276 HydrophobicContact CB-CG 4.16Å; L209-K276 HydrophobicContact CD2-CG 4.06Å; L209-K276 HydrophobicContact CG-CG 4.44Å
210G90.1Very high95.2Very high1 Ų143.9 Ų43.91%0.0124%0.242CC..SBendtrans84.4-175.9-175.200000113G212 D273 D278G210-G212 VanDerWaalsContact C-N 3.28Å; G210-G212 PolarHBondContact O-N 3.48Å; G210-D273 WeakPolarHBondContact CA-O 3.34Å; G210-D273 PolarHBondContact N-O 2.89Å; G210-D278 WeakPolarHBondContact CA-OD1 3.29Å
211S92.4Very high95.2Very high30 Ų3039.3 Ų39.321%0.2122%0.222CC..  trans-79.7-5.5-171.5100.60000114.2R213 D278S211-R213 PolarHBondContact O-N 3.34Å; S211-R213 WeakPolarHBondContact OG-CB 3.46Å; S211-R213 WeakPolarHBondContact OG-CG 3.36Å; S211-R213 PolarHBondContact OG-N 2.84Å; S211-R213 PolarHBondContact OG-NE 2.98Å; S211-D278 WeakPolarHBondContact CB-OD1 3.48Å; S211-D278 PolarHBondContact N-OD1 3.05Å; S211-D278 PolarHBondContact OG-OD2 3.43Å
212G91.9Very high95.3Very high1 Ų136.1 Ų36.11%0.0121%0.205CC..SBendtrans74.6-5.2-174.500000116G210 P214 I253 K254G210-G212 VanDerWaalsContact C-N 3.28Å; G210-G212 PolarHBondContact O-N 3.48Å; G212-P214 VanDerWaalsContact C-CD 3.47Å; G212-I253 CarbonylContact O-C 3.56Å; G212-I253 PolarHBondContact O-N 3.03Å; G212-I253 VanDerWaalsContact O-N 3.13Å; G212-K254 PolarHBondContact O-N 3.36Å
213R94Very high95.3Very high153 Ų15331 Ų3158%0.57718%0.177SC*.  trans-75.7-26.3-176.1-67.6178.5-56.8152.48.7116.8S211 L215 D278 F281S211-R213 PolarHBondContact O-N 3.34Å; S211-R213 WeakPolarHBondContact OG-CB 3.46Å; S211-R213 WeakPolarHBondContact OG-CG 3.36Å; S211-R213 PolarHBondContact OG-N 2.84Å; S211-R213 PolarHBondContact OG-NE 2.98Å; R213-L215 PolarHBondContact O-N 3.43Å; R213-D278 IonicContact NH2-OD2 2.79Å; R213-D278 PolarHBondContact NH2-OD2 2.74Å; R213-F281 HydrophobicContact CB-CE2 4.13Å
214P91.9Very high95.4Very high4 Ų427.5 Ų27.53%0.02614%0.141CC..  trans-57.5139-179.1-27.835.6000112.8G212 S252 I253 D278 F281G212-P214 VanDerWaalsContact C-CD 3.47Å; P214-S252 CarbonylContact O-C 3.58Å; P214-S252 VanDerWaalsContact O-CA 3.32Å; P214-S252 WeakPolarHBondContact O-CA 3.41Å; P214-I253 HydrophobicContact CB-CG1 4.24Å; P214-I253 PolarHBondContact O-N 2.73Å; P214-D278 HydrophobicContact CG-CB 3.73Å; P214-D278 VanDerWaalsContact CG-O 3.25Å; P214-D278 WeakPolarHBondContact CG-O 3.06Å; P214-F281 CarbonylContact C-O 3.5Å; P214-F281 VanDerWaalsContact CA-O 3.27Å; P214-F281 WeakPolarHBondContact CA-O 3.34Å
215L93.9Very high95.4Very high49 Ų4924.3 Ų24.326%0.25712%0.122SC..EExtended strand (participates in β ladder)trans-96.5138.9179.2-63176.5000111R213 E250 F281R213-L215 PolarHBondContact O-N 3.43Å; L215-E250 HydrophobicContact CB-CB 4.36Å; L215-F281 PolarHBondContact N-O 2.94Å
216R93.9Very high95.4Very high29 Ų2924 Ų2411%0.10912%0.116CC..EExtended strand (participates in β ladder)trans-141.6139.7179.8-62.3-64.8179.4-93-2.6110.5F218 V251 I253 Q280 F281R216-F218 HydrophobicContact CB-CD2 4.27Å; R216-F218 HydrophobicContact CB-CE2 3.58Å; R216-F218 HydrophobicContact CB-CZ 3.71Å; R216-F218 HydrophobicContact CG-CZ 4.27Å; R216-V251 PolarHBondContact N-O 3.38Å; R216-V251 PolarHBondContact O-N 3.2Å; R216-I253 HydrophobicContact CG-CD1 4.07Å; R216-Q280 VanDerWaalsContact CZ-O 3.25Å; R216-Q280 PolarHBondContact NH1-O 3.01Å; R216-Q280 PolarHBondContact NH2-O 3.21Å; R216-F281 PolarHBondContact NH1-O 3.49Å
217Q97Very high95.4Very high5 Ų524 Ų242%0.02312%0.116CC..  trans-84.5132.1162.7-66.9171.4-62.100109.3C172 N173 V245 E250 A285C172-Q217 HydrophobicContact CB-CB 3.97Å; C172-Q217 PolarHBondContact SG-O 3.21Å; N173-Q217 WeakPolarHBondContact CB-O 3.46Å; N173-Q217 PolarHBondContact N-O 3.32Å; N173-Q217 PolarHBondContact ND2-O 3.03Å; Q217-V245 HydrophobicContact CB-CG2 3.85Å; Q217-V245 HydrophobicContact CG-CG2 4.02Å; Q217-V245 PolarHBondContact NE2-O 2.98Å; Q217-E250 HydrophobicContact CG-CG 3.43Å; Q217-E250 VanDerWaalsContact CG-CG 3.43Å; Q217-A285 PolarHBondContact NE2-O 3.48Å; Q217-A285 PolarHBondContact OE1-O 3.43Å
218F97.3Very high95.5Very high10 Ų1021.6 Ų21.64%0.04410%0.101CC..EExtended strand (participates in β ladder)trans-116.5137.9174.3-66.1-80.9000110.1N173 F175 L189 R216 V245 L256 F302N173-F218 HydrophobicContact CB-CD1 3.54Å; N173-F218 HydrophobicContact CB-CE1 3.7Å; N173-F218 HydrophobicContact CB-CG 4.41Å; N173-F218 CarbonylContact O-C 3.52Å; N173-F218 VanDerWaalsContact O-CA 3.27Å; N173-F218 WeakPolarHBondContact O-CA 3.39Å; F175-F218 HydrophobicContact CD1-CB 3.87Å; F175-F218 HydrophobicContact CD1-CD1 4.42Å; F175-F218 HydrophobicContact CE1-CB 3.72Å; L189-F218 HydrophobicContact CB-CD1 4.47Å; L189-F218 HydrophobicContact CB-CE1 3.97Å; L189-F218 HydrophobicContact CD1-CD1 3.65Å; L189-F218 HydrophobicContact CD1-CE1 3.85Å; L189-F218 HydrophobicContact CD1-CG 4.17Å; R216-F218 HydrophobicContact CB-CD2 4.27Å; R216-F218 HydrophobicContact CB-CE2 3.58Å; R216-F218 HydrophobicContact CB-CZ 3.71Å; R216-F218 HydrophobicContact CG-CZ 4.27Å; F218-V245 VanDerWaalsContact O-CG1 3.3Å; F218-V245 WeakPolarHBondContact O-CG1 3.39Å; F218-L256 HydrophobicContact CE1-CD2 4.45Å; F218-L256 HydrophobicContact CE2-CD2 4.13Å; F218-L256 HydrophobicContact CZ-CD2 3.7Å; F218-F302 HydrophobicContact CB-CD2 4.24Å; F218-F302 HydrophobicContact CB-CE2 3.83Å; F218-F302 HydrophobicContact CD2-CE2 4.09Å; F218-F302 HydrophobicContact CD2-CZ 4.39Å; F218-F302 HydrophobicContact CG-CE2 4.1Å
219I98.2Very high95.6Very high0 Ų021.4 Ų21.40%010%0.099CC..EExtended strand (participates in β ladder)trans-121.7130175.1-173.5169.6000109.6C172 N173 V174 F175 D223 L224 L227 C243 F299C172-I219 VanDerWaalsContact SG-CG2 3.59Å; N173-I219 PolarHBondContact O-N 2.97Å; V174-I219 WeakPolarHBondContact CA-O 3.24Å; V174-I219 HydrophobicContact CB-CG2 4.33Å; V174-I219 HydrophobicContact CG1-CG2 4.48Å; V174-I219 HydrophobicContact CG2-CG2 3.91Å; F175-I219 WeakPolarHBondContact CD1-O 3.34Å; F175-I219 PolarHBondContact N-O 3.1Å; F175-I219 VanDerWaalsContact N-O 3.14Å; I219-D223 HydrophobicContact CG1-CB 4.45Å; I219-L224 HydrophobicContact CD1-CB 3.95Å; I219-L224 HydrophobicContact CD1-CD1 4.29Å; I219-L224 HydrophobicContact CG1-CB 4.22Å; I219-L227 HydrophobicContact CD1-CD1 4.03Å; I219-C243 HydrophobicContact CD1-CB 4.37Å; I219-C243 WeakPolarHBondContact CD1-O 3.41Å; I219-F299 HydrophobicContact CD1-CE1 3.86Å; I219-F299 HydrophobicContact CG1-CD1 4.46Å; I219-F299 HydrophobicContact CG1-CE1 4.28Å
220Y98.3Very high95.9Very high13 Ų1319.6 Ų19.65%0.0519%0.088CC..EExtended strand (participates in β ladder)trans-68136.9176.9-173.6-149.7000110.3F175 I222 D223 L224 T300 A305 E308F175-Y220 HydrophobicContact CE2-CD2 4.25Å; F175-Y220 HydrophobicContact CZ-CD2 4.48Å; F175-Y220 CarbonylContact O-C 3.43Å; F175-Y220 WeakPolarHBondContact O-CD2 3.34Å; Y220-I222 HydrophobicContact CD1-CB 3.81Å; Y220-I222 HydrophobicContact CD1-CG1 4.19Å; Y220-I222 HydrophobicContact CE1-CB 3.7Å; Y220-I222 HydrophobicContact CE1-CG1 3.61Å; Y220-I222 HydrophobicContact CE2-CG1 4.31Å; Y220-I222 HydrophobicContact CG-CB 4.47Å; Y220-I222 PolarHBondContact O-N 3.3Å; Y220-D223 PolarHBondContact O-N 2.78Å; Y220-L224 PolarHBondContact O-N 3.34Å; Y220-T300 HydrophobicContact CD1-CG2 4.17Å; Y220-A305 HydrophobicContact CD1-CB 3.8Å; Y220-A305 HydrophobicContact CD2-CB 3.9Å; Y220-A305 HydrophobicContact CE1-CB 4.3Å; Y220-A305 HydrophobicContact CE2-CB 4.43Å; Y220-A305 HydrophobicContact CG-CB 3.58Å; Y220-E308 WeakPolarHBondContact CE1-OE2 3.33Å; Y220-E308 PolarHBondContact OH-OE2 2.93Å
221S98Very high96.2Very high2 Ų219.6 Ų19.61%0.0149%0.087CC..Hα-helixtrans-58.9-34.3-175.464.20000112.6A21 F175 A225A21-S221 WeakPolarHBondContact CB-O 3.2Å; F175-S221 WeakPolarHBondContact O-CB 3.23Å; F175-S221 PolarHBondContact O-N 2.93Å; S221-A225 VanDerWaalsContact O-CB 3.3Å; S221-A225 WeakPolarHBondContact O-CB 3.49Å; S221-A225 PolarHBondContact O-N 3.21Å
222I97.5Very high96.4Very high32 Ų3218.5 Ų18.516%0.1648%0.079CC..Hα-helixtrans-66.3-40.1175.5-60.2-53.6000111.3A21 V25 Y220 A225 K226A21-I222 HydrophobicContact CB-CD1 3.79Å; V25-I222 HydrophobicContact CG2-CG2 4.02Å; Y220-I222 HydrophobicContact CD1-CB 3.81Å; Y220-I222 HydrophobicContact CD1-CG1 4.19Å; Y220-I222 HydrophobicContact CE1-CB 3.7Å; Y220-I222 HydrophobicContact CE1-CG1 3.61Å; Y220-I222 HydrophobicContact CE2-CG1 4.31Å; Y220-I222 HydrophobicContact CG-CB 4.47Å; Y220-I222 PolarHBondContact O-N 3.3Å; I222-A225 WeakPolarHBondContact O-CB 3.16Å; I222-A225 PolarHBondContact O-N 3.37Å; I222-K226 WeakPolarHBondContact O-CG 3.42Å; I222-K226 PolarHBondContact O-N 2.91Å
223D97.7Very high96.6Very high1 Ų120.3 Ų20.31%0.0059%0.087CC..Hα-helixtrans-70.2-41.9177.6-65.1-27.8000111.3I219 Y220 A225 K226 L227 F297 F299 T300I219-D223 HydrophobicContact CG1-CB 4.45Å; Y220-D223 PolarHBondContact O-N 2.78Å; D223-A225 VanDerWaalsContact C-N 3.28Å; D223-A225 PolarHBondContact O-N 2.85Å; D223-K226 WeakPolarHBondContact O-CB 3.34Å; D223-K226 PolarHBondContact O-N 2.93Å; D223-K226 IonicContact OD1-NZ 3.89Å; D223-K226 PolarHBondContact OD1-NZ 3.5Å; D223-L227 WeakPolarHBondContact O-CG 3.34Å; D223-L227 PolarHBondContact O-N 3.18Å; D223-F297 HydrophobicContact CB-CE1 4.46Å; D223-F297 HydrophobicContact CB-CZ 4.25Å; D223-F299 HydrophobicContact CB-CD1 4.15Å; D223-T300 VanDerWaalsContact CG-OG1 3.3Å; D223-T300 PolarHBondContact OD1-OG1 3.41Å; D223-T300 WeakPolarHBondContact OD2-CB 3.49Å; D223-T300 PolarHBondContact OD2-N 3.43Å; D223-T300 PolarHBondContact OD2-OG1 3.15Å
224L98.3Very high96.7Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-59.9-41172.1178.860.3000111.5I18 P171 V174 I219 Y220 K226 L227 I228 C243I18-L224 HydrophobicContact CD1-CD2 3.75Å; I18-L224 HydrophobicContact CG1-CD2 4.07Å; I18-L224 HydrophobicContact CG2-CD2 4.4Å; P171-L224 HydrophobicContact CB-CD1 3.99Å; P171-L224 HydrophobicContact CB-CD2 3.68Å; P171-L224 HydrophobicContact CG-CD2 4.23Å; V174-L224 HydrophobicContact CB-CD2 4.35Å; V174-L224 HydrophobicContact CG1-CD2 3.84Å; V174-L224 HydrophobicContact CG2-CD2 3.51Å; I219-L224 HydrophobicContact CD1-CB 3.95Å; I219-L224 HydrophobicContact CD1-CD1 4.29Å; I219-L224 HydrophobicContact CG1-CB 4.22Å; Y220-L224 PolarHBondContact O-N 3.34Å; L224-K226 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 2.9Å; L224-I228 HydrophobicContact CD1-CD1 4.03Å; L224-I228 HydrophobicContact CD1-CG1 4.09Å; L224-I228 HydrophobicContact CD2-CD1 4.34Å; L224-I228 HydrophobicContact CG-CD1 3.77Å; L224-I228 HydrophobicContact CG-CG1 4.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.2Å; L224-I228 PolarHBondContact O-N 2.87Å; L224-C243 HydrophobicContact CD1-CB 3.67Å
225A97.8Very high96.9Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-60.6-43.7176.200000112A21 I22 V25 S221 I222 D223 L227 I228 V229A21-A225 VanDerWaalsContact C-CB 3.44Å; A21-A225 HydrophobicContact CB-CB 3.7Å; I22-A225 HydrophobicContact CB-CB 4.35Å; I22-A225 HydrophobicContact CG1-CB 3.66Å; V25-A225 HydrophobicContact CB-CB 4.39Å; V25-A225 HydrophobicContact CG2-CB 3.8Å; S221-A225 VanDerWaalsContact O-CB 3.3Å; S221-A225 WeakPolarHBondContact O-CB 3.49Å; S221-A225 PolarHBondContact O-N 3.21Å; I222-A225 WeakPolarHBondContact O-CB 3.16Å; I222-A225 PolarHBondContact O-N 3.37Å; D223-A225 VanDerWaalsContact C-N 3.28Å; D223-A225 PolarHBondContact O-N 2.85Å; A225-L227 VanDerWaalsContact C-N 3.32Å; A225-L227 PolarHBondContact O-N 3.37Å; A225-I228 PolarHBondContact O-N 2.68Å; A225-V229 WeakPolarHBondContact O-CB 3.33Å; A225-V229 VanDerWaalsContact O-CG2 3.27Å; A225-V229 WeakPolarHBondContact O-CG2 3.31Å; A225-V229 PolarHBondContact O-N 3.32Å
226K97Very high97Very high42 Ų4219.4 Ų19.418%0.1839%0.09CC..Hα-helixtrans-57.2-45.1173-71.1170.9-171.4161.40111.7V25 L31 I222 D223 L224 V229 W230 F297V25-K226 HydrophobicContact CG1-CG 4.15Å; V25-K226 HydrophobicContact CG2-CG 3.97Å; L31-K226 HydrophobicContact CD2-CB 3.89Å; L31-K226 HydrophobicContact CD2-CD 4.48Å; L31-K226 HydrophobicContact CD2-CG 3.87Å; L31-K226 HydrophobicContact CG-CG 4.21Å; I222-K226 WeakPolarHBondContact O-CG 3.42Å; I222-K226 PolarHBondContact O-N 2.91Å; D223-K226 WeakPolarHBondContact O-CB 3.34Å; D223-K226 PolarHBondContact O-N 2.93Å; D223-K226 IonicContact OD1-NZ 3.89Å; D223-K226 PolarHBondContact OD1-NZ 3.5Å; L224-K226 PolarHBondContact O-N 3.3Å; K226-V229 PolarHBondContact O-N 3.07Å; K226-W230 WeakPolarHBondContact O-CB 3.41Å; K226-W230 PolarHBondContact O-N 3.2Å; K226-F297 HydrophobicContact CB-CE2 4.13Å; K226-F297 HydrophobicContact CB-CZ 4.35Å; K226-F297 HydrophobicContact CD-CE2 4.45Å
227L97.5Very high97.2Very high0 Ų021.2 Ų21.20%010%0.1CC..Hα-helixtrans-66.7-40.1178.9-66.9180000112.9I219 D223 L224 A225 W230 A231 C243 L290 L294 F297 F299I219-L227 HydrophobicContact CD1-CD1 4.03Å; D223-L227 WeakPolarHBondContact O-CG 3.34Å; D223-L227 PolarHBondContact O-N 3.18Å; L224-L227 PolarHBondContact O-N 2.9Å; A225-L227 VanDerWaalsContact C-N 3.32Å; A225-L227 PolarHBondContact O-N 3.37Å; L227-W230 PolarHBondContact O-N 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.4Å; L227-A231 PolarHBondContact O-N 2.89Å; L227-C243 HydrophobicContact CD1-CB 3.91Å; L227-L290 HydrophobicContact CD1-CD2 3.85Å; L227-L290 HydrophobicContact CD2-CD1 3.88Å; L227-L290 HydrophobicContact CD2-CD2 4.38Å; L227-L294 HydrophobicContact CD2-CD1 3.72Å; L227-F297 HydrophobicContact CD1-CE1 4.38Å; L227-F297 HydrophobicContact CD1-CZ 4.45Å; L227-F297 HydrophobicContact CD2-CD1 4.21Å; L227-F297 HydrophobicContact CD2-CD2 3.85Å; L227-F297 HydrophobicContact CD2-CE1 4.01Å; L227-F297 HydrophobicContact CD2-CE2 3.63Å; L227-F297 HydrophobicContact CD2-CG 4.15Å; L227-F297 HydrophobicContact CD2-CZ 3.71Å; L227-F297 HydrophobicContact CG-CE1 4.21Å; L227-F297 HydrophobicContact CG-CE2 4.17Å; L227-F297 HydrophobicContact CG-CZ 3.84Å; L227-F299 HydrophobicContact CD1-CE1 3.98Å; L227-F299 HydrophobicContact CD1-CZ 4.29Å
228I98Very high97.2Very high1 Ų123.6 Ų23.61%0.00512%0.115CC..Hα-helixtrans-64.6-44.7176.5-72.4168.7000110.7I18 I22 I68 L70 I111 V169 L224 A225 A231 L232I18-I228 HydrophobicContact CG2-CD1 3.57Å; I22-I228 HydrophobicContact CD1-CB 4.34Å; I22-I228 HydrophobicContact CD1-CD1 4.38Å; I22-I228 HydrophobicContact CD1-CG2 3.79Å; I68-I228 HydrophobicContact CD1-CG2 3.91Å; I68-I228 HydrophobicContact CG1-CG2 4.45Å; I68-I228 HydrophobicContact CG2-CG2 3.75Å; L70-I228 HydrophobicContact CD2-CD1 4.18Å; I111-I228 HydrophobicContact CG2-CG2 4.34Å; V169-I228 HydrophobicContact CB-CG1 4.49Å; V169-I228 HydrophobicContact CG1-CG1 4.15Å; V169-I228 HydrophobicContact CG2-CD1 4.1Å; V169-I228 HydrophobicContact CG2-CG1 3.77Å; L224-I228 HydrophobicContact CD1-CD1 4.03Å; L224-I228 HydrophobicContact CD1-CG1 4.09Å; L224-I228 HydrophobicContact CD2-CD1 4.34Å; L224-I228 HydrophobicContact CG-CD1 3.77Å; L224-I228 HydrophobicContact CG-CG1 4.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.2Å; L224-I228 PolarHBondContact O-N 2.87Å; A225-I228 PolarHBondContact O-N 2.68Å; I228-A231 PolarHBondContact O-N 2.72Å; I228-L232 PolarHBondContact O-N 2.83Å
229V96.8Very high97.2Very high1 Ų127.3 Ų27.31%0.00613%0.133CC..Hα-helixtrans-64.6-42.6177.6173.50000110.4I22 V25 I26 L31 I34 W39 A225 K226 A231 L232 F233I22-V229 HydrophobicContact CG2-CG2 4.04Å; V25-V229 HydrophobicContact CG1-CG2 4.46Å; I26-V229 HydrophobicContact CD1-CG1 3.93Å; I26-V229 HydrophobicContact CD1-CG2 3.84Å; L31-V229 HydrophobicContact CD1-CB 3.8Å; L31-V229 HydrophobicContact CD1-CG1 3.53Å; I34-V229 HydrophobicContact CD1-CG1 3.85Å; I34-V229 HydrophobicContact CG1-CG1 4.09Å; W39-V229 HydrophobicContact CH2-CG2 4.33Å; A225-V229 WeakPolarHBondContact O-CB 3.33Å; A225-V229 VanDerWaalsContact O-CG2 3.27Å; A225-V229 WeakPolarHBondContact O-CG2 3.31Å; A225-V229 PolarHBondContact O-N 3.32Å; K226-V229 PolarHBondContact O-N 3.07Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 3.37Å; V229-L232 WeakPolarHBondContact O-CB 3.2Å; V229-L232 PolarHBondContact O-N 3.29Å; V229-F233 HydrophobicContact CG1-CD2 4.02Å; V229-F233 HydrophobicContact CG1-CE2 3.88Å; V229-F233 WeakPolarHBondContact O-CD2 3.34Å; V229-F233 PolarHBondContact O-N 3.4Å
230W96.1Very high97.3Very high38 Ų3827.3 Ų27.314%0.14413%0.133CC..Hα-helixtrans-57.7-46.8172168.484000111.7K226 L227 L232 F233 N234 Y235 I241 Y293 L294K226-W230 WeakPolarHBondContact O-CB 3.41Å; K226-W230 PolarHBondContact O-N 3.2Å; L227-W230 PolarHBondContact O-N 3.3Å; W230-L232 VanDerWaalsContact C-N 3.3Å; W230-L232 PolarHBondContact O-N 3.49Å; W230-F233 PolarHBondContact O-N 3.04Å; W230-N234 HydrophobicContact CD2-CB 4.47Å; W230-N234 HydrophobicContact CG-CB 4.46Å; W230-N234 HydrophobicContact CZ2-CB 4.33Å; W230-N234 WeakPolarHBondContact O-CB 3.47Å; W230-N234 PolarHBondContact O-N 3.22Å; W230-N234 PolarHBondContact O-ND2 3.44Å; W230-Y235 AromaticContact CH2-CD2 3.88Å; W230-Y235 HydrophobicContact CH2-CD2 3.88Å; W230-Y235 HydrophobicContact CH2-CG 4.22Å; W230-Y235 HydrophobicContact CZ3-CD2 4.28Å; W230-Y235 HydrophobicContact CZ3-CG 4.25Å; W230-I241 HydrophobicContact CH2-CD1 4.29Å; W230-I241 HydrophobicContact CZ3-CD1 4.04Å; W230-Y293 AromaticContact CH2-CD1 3.89Å; W230-Y293 HydrophobicContact CH2-CD1 3.89Å; W230-Y293 HydrophobicContact CH2-CD2 4.35Å; W230-Y293 AromaticContact CH2-CG 3.67Å; W230-Y293 HydrophobicContact CH2-CG 3.67Å; W230-Y293 AromaticContact CZ2-CD1 3.79Å; W230-Y293 HydrophobicContact CZ2-CD1 3.79Å; W230-Y293 AromaticContact CZ2-CG 3.89Å; W230-Y293 HydrophobicContact CZ2-CG 3.89Å; W230-L294 HydrophobicContact CD2-CD1 3.64Å; W230-L294 HydrophobicContact CD2-CD2 4.49Å; W230-L294 HydrophobicContact CD2-CG 4.21Å; W230-L294 HydrophobicContact CE3-CD1 3.98Å; W230-L294 HydrophobicContact CG-CD1 3.93Å; W230-L294 HydrophobicContact CZ2-CD1 4.35Å; W230-L294 HydrophobicContact CZ2-CD2 4.47Å; W230-L294 HydrophobicContact CZ2-CG 4.09Å; W230-L294 HydrophobicContact CZ3-CD1 4.47Å
231A97.1Very high97.3Very high1 Ų126.8 Ų26.81%0.00813%0.13CC..Hα-helixtrans-63.1-36.8-178.700000112.3I111 V169 L227 I228 V229 F233 Y235I111-A231 HydrophobicContact CD1-CB 4.47Å; V169-A231 HydrophobicContact CG1-CB 4.29Å; L227-A231 WeakPolarHBondContact O-CB 3.4Å; L227-A231 PolarHBondContact O-N 2.89Å; I228-A231 PolarHBondContact O-N 2.72Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 3.37Å; A231-F233 VanDerWaalsContact C-N 3.28Å; A231-F233 PolarHBondContact O-N 2.9Å; A231-Y235 WeakPolarHBondContact O-CB 3.37Å; A231-Y235 PolarHBondContact O-N 3.43Å
232L97Very high97.3Very high6 Ų626.7 Ų26.73%0.03113%0.13CC..Hα-helixtrans-57.1-42.8175.5-175.567.6000112.1V9 W39 E66 I68 K109 I111 I228 V229 W230V9-L232 HydrophobicContact CG1-CD2 3.73Å; V9-L232 HydrophobicContact CG2-CD2 3.97Å; W39-L232 HydrophobicContact CH2-CD2 3.95Å; W39-L232 HydrophobicContact CZ3-CD2 4.44Å; E66-L232 HydrophobicContact CB-CD1 3.92Å; I68-L232 HydrophobicContact CD1-CD2 4.06Å; I68-L232 HydrophobicContact CG1-CD1 4.24Å; I68-L232 HydrophobicContact CG1-CD2 4.15Å; K109-L232 HydrophobicContact CG-CD1 4.11Å; I111-L232 HydrophobicContact CG1-CB 4.13Å; I111-L232 HydrophobicContact CG1-CD1 3.78Å; I228-L232 PolarHBondContact O-N 2.83Å; V229-L232 WeakPolarHBondContact O-CB 3.2Å; V229-L232 PolarHBondContact O-N 3.29Å; W230-L232 VanDerWaalsContact C-N 3.3Å; W230-L232 PolarHBondContact O-N 3.49Å
233F95.2Very high97.3Very high40 Ų4025.2 Ų25.218%0.17512%0.123CC..Hα-helixtrans-100.2-16.8-171.1-63.7-59.5000115.2I34 P35 R37 W39 V229 W230 A231I34-F233 HydrophobicContact CG2-CD2 4.04Å; I34-F233 HydrophobicContact CG2-CE2 3.36Å; I34-F233 HydrophobicContact CG2-CZ 3.88Å; P35-F233 HydrophobicContact CB-CE1 4.45Å; P35-F233 HydrophobicContact CG-CD1 4.06Å; P35-F233 HydrophobicContact CG-CE1 4.31Å; P35-F233 HydrophobicContact CG-CG 4.4Å; R37-F233 HydrophobicContact CG-CE1 4.14Å; R37-F233 HydrophobicContact CG-CZ 4.01Å; W39-F233 HydrophobicContact CH2-CE2 4.05Å; W39-F233 HydrophobicContact CH2-CZ 4.14Å; W39-F233 AromaticContact CZ2-CE2 3.9Å; W39-F233 HydrophobicContact CZ2-CE2 3.9Å; W39-F233 AromaticContact CZ2-CZ 3.82Å; W39-F233 HydrophobicContact CZ2-CZ 3.82Å; V229-F233 HydrophobicContact CG1-CD2 4.02Å; V229-F233 HydrophobicContact CG1-CE2 3.88Å; V229-F233 WeakPolarHBondContact O-CD2 3.34Å; V229-F233 PolarHBondContact O-N 3.4Å; W230-F233 PolarHBondContact O-N 3.04Å; A231-F233 VanDerWaalsContact C-N 3.28Å; A231-F233 PolarHBondContact O-N 2.9Å
234N95.2Very high97.4Very high91 Ų9125.2 Ų25.249%0.48712%0.122SC..Hα-helixtrans-132.3-21.2-169.9-56.9-88.7000114.6W230 E236W230-N234 HydrophobicContact CD2-CB 4.47Å; W230-N234 HydrophobicContact CG-CB 4.46Å; W230-N234 HydrophobicContact CZ2-CB 4.33Å; W230-N234 WeakPolarHBondContact O-CB 3.47Å; W230-N234 PolarHBondContact O-N 3.22Å; W230-N234 PolarHBondContact O-ND2 3.44Å; N234-E236 PolarHBondContact O-N 3.02Å
235Y96.8Very high97.3Very high0 Ų025.9 Ų25.90%013%0.126CC..  trans-88.8102.4-175.3-175-120.8000110.3K109 T167 W230 A231 E237 E239 P240 I241 K289 Y293K109-Y235 PolarHBondContact NZ-O 3.08Å; T167-Y235 HydrophobicContact CG2-CD1 4.17Å; T167-Y235 HydrophobicContact CG2-CE1 4.4Å; W230-Y235 AromaticContact CH2-CD2 3.88Å; W230-Y235 HydrophobicContact CH2-CD2 3.88Å; W230-Y235 HydrophobicContact CH2-CG 4.22Å; W230-Y235 HydrophobicContact CZ3-CD2 4.28Å; W230-Y235 HydrophobicContact CZ3-CG 4.25Å; A231-Y235 WeakPolarHBondContact O-CB 3.37Å; A231-Y235 PolarHBondContact O-N 3.43Å; Y235-E237 HydrophobicContact CE1-CB 4.06Å; Y235-E237 HydrophobicContact CE2-CB 3.8Å; Y235-E237 HydrophobicContact CE2-CG 4.05Å; Y235-E237 WeakPolarHBondContact OH-CB 3.4Å; Y235-E237 PolarHBondContact OH-OE2 3.26Å; Y235-E239 WeakPolarHBondContact CE1-O 3.41Å; Y235-E239 PolarHBondContact OH-O 3.22Å; Y235-E239 VanDerWaalsContact OH-O 3.06Å; Y235-P240 PolarHBondContact OH-O 3.31Å; Y235-I241 HydrophobicContact CD1-CG2 4.13Å; Y235-I241 HydrophobicContact CD2-CD1 4.21Å; Y235-I241 HydrophobicContact CE1-CB 3.9Å; Y235-I241 HydrophobicContact CE1-CG2 3.85Å; Y235-I241 HydrophobicContact CE2-CB 4.46Å; Y235-I241 HydrophobicContact CE2-CD1 3.93Å; Y235-K289 WeakPolarHBondContact OH-CD 3.35Å; Y235-K289 PolarHBondContact OH-NZ 2.86Å; Y235-Y293 HydrophobicContact CD2-CD2 4.38Å; Y235-Y293 HydrophobicContact CD2-CE1 4.22Å; Y235-Y293 HydrophobicContact CD2-CE2 4.02Å; Y235-Y293 AromaticContact CD2-CZ 3.92Å; Y235-Y293 HydrophobicContact CE2-CD2 4.19Å; Y235-Y293 AromaticContact CE2-CE2 3.59Å; Y235-Y293 HydrophobicContact CE2-CE2 3.59Å; Y235-Y293 AromaticContact CE2-CZ 3.79Å
236E96.1Very high97.3Very high96 Ų9627.1 Ų27.145%0.44913%0.133SC..  trans-89.9-11.5-172.8-67-57.8131.100114.9R165 N234R165-E236 WeakPolarHBondContact CD-OE2 3.44Å; R165-E236 IonicContact CZ-OE2 3.71Å; R165-E236 IonicContact NE-OE2 3.15Å; R165-E236 IonicContact NH1-OE2 3.54Å; R165-E236 PolarHBondContact NH1-OE2 3.39Å; N234-E236 PolarHBondContact O-N 3.02Å
237E97.6Very high97.2Very high66 Ų6627 Ų2731%0.30814%0.137SC..  trans-69.2152.6175.9-68.8174.5-145.100112Y235 K289 Y293Y235-E237 HydrophobicContact CE1-CB 4.06Å; Y235-E237 HydrophobicContact CE2-CB 3.8Å; Y235-E237 HydrophobicContact CE2-CG 4.05Å; Y235-E237 WeakPolarHBondContact OH-CB 3.4Å; Y235-E237 PolarHBondContact OH-OE2 3.26Å; E237-K289 IonicContact OE2-NZ 2.76Å; E237-K289 PolarHBondContact OE2-NZ 3.4Å; E237-K289 VanDerWaalsContact OE2-NZ 3.09Å; E237-Y293 WeakPolarHBondContact OE1-CE2 3.4Å; E237-Y293 PolarHBondContact OE1-OH 2.83Å
238T97.6Very high97.1Very high55 Ų5534 Ų3434%0.33717%0.17SC..SBendtrans-90.2-24.4175.149.50000112.9N159 T167N159-T238 HydrophobicContact CB-CG2 3.89Å; N159-T238 VanDerWaalsContact ND2-CB 3.26Å; N159-T238 WeakPolarHBondContact ND2-CB 3.39Å; N159-T238 VanDerWaalsContact ND2-CG2 3.29Å; N159-T238 WeakPolarHBondContact ND2-CG2 3.33Å; T167-T238 WeakPolarHBondContact CB-O 3.13Å; T167-T238 PolarHBondContact OG1-O 2.88Å
239E98.1Very high97Very high89 Ų8937.9 Ų37.942%0.41619%0.19SC..SBendtrans-65.6149.6173.5-65.1-62.7131.900110.5T167 Y235T167-E239 PolarHBondContact OG1-O 3.39Å; Y235-E239 WeakPolarHBondContact CE1-O 3.41Å; Y235-E239 PolarHBondContact OH-O 3.22Å; Y235-E239 VanDerWaalsContact OH-O 3.06Å
240P98.5Very high96.9Very high0 Ų039.4 Ų39.40%020%0.197CC..  trans-60.7165.2173.6-25.836.2000113.4E129 I132 D152 S168 I170 Y235 K289E129-P240 WeakPolarHBondContact CG-O 3.46Å; I132-P240 HydrophobicContact CD1-CB 4.3Å; I132-P240 HydrophobicContact CD1-CG 3.86Å; D152-P240 WeakPolarHBondContact OD1-CD 3.27Å; D152-P240 WeakPolarHBondContact OD1-CG 3.3Å; S168-P240 VanDerWaalsContact O-CA 3.22Å; S168-P240 WeakPolarHBondContact O-CA 3.48Å; I170-P240 HydrophobicContact CD1-CB 3.67Å; I170-P240 HydrophobicContact CD1-CG 4.5Å; I170-P240 HydrophobicContact CG1-CB 3.85Å; Y235-P240 PolarHBondContact OH-O 3.31Å; P240-K289 PolarHBondContact O-NZ 2.97Å
241I98.7Very high96.9Very high1 Ų138.6 Ų38.61%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-131.9128.7172.4-171.7166.1000111.4S168 V169 I170 W230 Y235 C243 K289 L290 Y293S168-I241 PolarHBondContact O-N 3.38Å; V169-I241 CarbonylContact C-O 3.55Å; V169-I241 WeakPolarHBondContact CA-O 3.45Å; V169-I241 HydrophobicContact CG1-CG2 4.1Å; I170-I241 PolarHBondContact N-O 2.99Å; W230-I241 HydrophobicContact CH2-CD1 4.29Å; W230-I241 HydrophobicContact CZ3-CD1 4.04Å; Y235-I241 HydrophobicContact CD1-CG2 4.13Å; Y235-I241 HydrophobicContact CD2-CD1 4.21Å; Y235-I241 HydrophobicContact CE1-CB 3.9Å; Y235-I241 HydrophobicContact CE1-CG2 3.85Å; Y235-I241 HydrophobicContact CE2-CB 4.46Å; Y235-I241 HydrophobicContact CE2-CD1 3.93Å; I241-C243 PolarHBondContact O-N 3.14Å; I241-K289 HydrophobicContact CB-CD 4.22Å; I241-K289 HydrophobicContact CD1-CD 4.29Å; I241-K289 HydrophobicContact CD1-CG 4.28Å; I241-K289 HydrophobicContact CG1-CD 3.99Å; I241-K289 HydrophobicContact CG1-CG 4.25Å; I241-L290 HydrophobicContact CD1-CB 4.36Å; I241-L290 HydrophobicContact CD1-CD1 4.28Å; I241-L290 HydrophobicContact CG1-CB 4.46Å; I241-Y293 HydrophobicContact CD1-CD2 4.41Å
242I98.7Very high96.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-73.3124.3174.6-74.7157.4000110F119 E129 I170 A244 A285 S286F119-I242 HydrophobicContact CZ-CD1 4.03Å; F119-I242 HydrophobicContact CZ-CG1 4.39Å; E129-I242 HydrophobicContact CG-CB 4.48Å; E129-I242 HydrophobicContact CG-CD1 3.89Å; E129-I242 HydrophobicContact CG-CG1 3.85Å; E129-I242 PolarHBondContact OE1-N 2.91Å; I170-I242 HydrophobicContact CB-CG1 3.99Å; I170-I242 HydrophobicContact CD1-CG1 4.23Å; I170-I242 HydrophobicContact CG1-CG1 4.46Å; I170-I242 HydrophobicContact CG2-CG1 4.46Å; I170-I242 WeakPolarHBondContact O-CA 3.27Å; I242-A244 HydrophobicContact CG2-CB 3.78Å; I242-A285 HydrophobicContact CD1-CB 4.41Å; I242-A285 HydrophobicContact CG2-CB 3.95Å; I242-S286 WeakPolarHBondContact CD1-O 3.48Å; I242-S286 WeakPolarHBondContact CG2-O 3.37Å
243C98.5Very high96.7Very high2 Ų240 Ų401%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-107.384.4173.1-63.10000109.2I170 P171 C172 I219 L224 L227 I241I170-C243 PolarHBondContact O-N 2.82Å; P171-C243 WeakPolarHBondContact CA-O 3.31Å; C172-C243 PolarHBondContact N-O 3.44Å; I219-C243 HydrophobicContact CD1-CB 4.37Å; I219-C243 WeakPolarHBondContact CD1-O 3.41Å; L224-C243 HydrophobicContact CD1-CB 3.67Å; L227-C243 HydrophobicContact CD1-CB 3.91Å; I241-C243 PolarHBondContact O-N 3.14Å
244A97.9Very high96.7Very high0 Ų042.8 Ų42.80%022%0.217CC..  trans-134.8157.217800000110.6C172 I242 N287 F299C172-A244 HydrophobicContact CB-CB 3.94Å; I242-A244 HydrophobicContact CG2-CB 3.78Å; A244-N287 WeakPolarHBondContact O-CB 3.43Å; A244-N287 PolarHBondContact O-ND2 2.75Å; A244-F299 VanDerWaalsContact O-CZ 3.29Å; A244-F299 WeakPolarHBondContact O-CZ 3.44Å
245V97.6Very high96.8Very high14 Ų1442.9 Ų42.99%0.08521%0.214CC..  trans-60.7170.2165.7-63.70000110.7Q217 F218 D249 N287 F299Q217-V245 HydrophobicContact CB-CG2 3.85Å; Q217-V245 HydrophobicContact CG-CG2 4.02Å; Q217-V245 PolarHBondContact NE2-O 2.98Å; F218-V245 VanDerWaalsContact O-CG1 3.3Å; F218-V245 WeakPolarHBondContact O-CG1 3.39Å; V245-D249 HydrophobicContact CB-CB 4.11Å; V245-D249 HydrophobicContact CG2-CB 3.99Å; V245-N287 PolarHBondContact O-ND2 2.86Å; V245-F299 HydrophobicContact CG1-CB 4.37Å; V245-F299 HydrophobicContact CG1-CD1 4.01Å; V245-F299 HydrophobicContact CG1-CD2 4.35Å; V245-F299 HydrophobicContact CG1-CE1 4.41Å; V245-F299 HydrophobicContact CG1-CG 3.99Å
246D96.9Very high96.7Very high26 Ų2642.9 Ų42.914%0.13921%0.214CC..  trans-64.3149.1179.4-59.8-41000110.5E248 D249 N287 R291D246-E248 VanDerWaalsContact CB-CD 3.49Å; D246-E248 HydrophobicContact CB-CG 4.02Å; D246-E248 WeakPolarHBondContact CB-OE2 3.34Å; D246-E248 PolarHBondContact O-N 3.01Å; D246-D249 WeakPolarHBondContact O-CB 3.48Å; D246-D249 PolarHBondContact O-N 2.86Å; D246-N287 PolarHBondContact N-ND2 2.85Å; D246-N287 PolarHBondContact OD1-ND2 2.96Å; D246-N287 PolarHBondContact OD1-OD1 2.76Å; D246-R291 VanDerWaalsContact CG-NH2 3.3Å; D246-R291 IonicContact OD1-CZ 3.98Å; D246-R291 IonicContact OD1-NE 3.69Å; D246-R291 PolarHBondContact OD1-NE 3.06Å; D246-R291 IonicContact OD1-NH2 2.74Å; D246-R291 PolarHBondContact OD1-NH2 3.46Å; D246-R291 VanDerWaalsContact OD1-NH2 3.14Å; D246-R291 IonicContact OD2-CZ 2.65Å; D246-R291 IonicContact OD2-NE 3.38Å; D246-R291 IonicContact OD2-NH2 3.18Å; D246-R291 PolarHBondContact OD2-NH2 3.28Å
247P95.5Very high96.8Very high40 Ų4038.3 Ų38.326%0.2619%0.193SC..G310 helixtrans-55.3-32.1179.5-29.637.7000114.7D249 E250 T284P247-D249 VanDerWaalsContact C-N 3.25Å; P247-D249 PolarHBondContact O-N 2.91Å; P247-E250 WeakPolarHBondContact O-CG 3.42Å; P247-E250 PolarHBondContact O-N 3.06Å; P247-T284 HydrophobicContact CB-CG2 3.83Å
248E95.3Very high96.7Very high148 Ų14838.7 Ų38.769%0.69220%0.195SC*.G310 helixtrans-69-18.5175.356.6-95.6-13400114.1D246 E250D246-E248 VanDerWaalsContact CB-CD 3.49Å; D246-E248 HydrophobicContact CB-CG 4.02Å; D246-E248 WeakPolarHBondContact CB-OE2 3.34Å; D246-E248 PolarHBondContact O-N 3.01Å; E248-E250 VanDerWaalsContact C-N 3.25Å; E248-E250 PolarHBondContact O-N 2.94Å
249D95.6Very high96.7Very high81 Ų8139 Ų3943%0.43319%0.192SC..G310 helixtrans-89.617.7177.5-64.1-38.2000112.4V245 D246 P247V245-D249 HydrophobicContact CB-CB 4.11Å; V245-D249 HydrophobicContact CG2-CB 3.99Å; D246-D249 WeakPolarHBondContact O-CB 3.48Å; D246-D249 PolarHBondContact O-N 2.86Å; P247-D249 VanDerWaalsContact C-N 3.25Å; P247-D249 PolarHBondContact O-N 2.91Å
250E95.1Very high96.7Very high33 Ų3334.7 Ų34.715%0.15417%0.172CC..  trans-62.6135.3170.3-87.1-171.6160.600111.6L215 Q217 P247 E248 T284L215-E250 HydrophobicContact CB-CB 4.36Å; Q217-E250 HydrophobicContact CG-CG 3.43Å; Q217-E250 VanDerWaalsContact CG-CG 3.43Å; P247-E250 WeakPolarHBondContact O-CG 3.42Å; P247-E250 PolarHBondContact O-N 3.06Å; E248-E250 VanDerWaalsContact C-N 3.25Å; E248-E250 PolarHBondContact O-N 2.94Å; E250-T284 VanDerWaalsContact CD-OG1 3.26Å; E250-T284 WeakPolarHBondContact OE1-CA 3.48Å; E250-T284 WeakPolarHBondContact OE1-CB 3.39Å; E250-T284 WeakPolarHBondContact OE1-CG2 3.36Å; E250-T284 PolarHBondContact OE1-N 3.15Å; E250-T284 PolarHBondContact OE1-OG1 3.01Å; E250-T284 PolarHBondContact OE2-OG1 2.95Å
251V95.2Very high96.7Very high21 Ų2135.5 Ų35.513%0.12718%0.177CC..EExtended strand (participates in β ladder)trans-116.3135.5179.6-173.80000109R216 E255 L256 F302R216-V251 PolarHBondContact N-O 3.38Å; R216-V251 PolarHBondContact O-N 3.2Å; V251-E255 HydrophobicContact CG1-CB 3.48Å; V251-E255 VanDerWaalsContact CG1-CB 3.48Å; V251-L256 HydrophobicContact CG1-CB 4.42Å; V251-F302 HydrophobicContact CG1-CE1 4.31Å; V251-F302 HydrophobicContact CG2-CD1 4.29Å; V251-F302 HydrophobicContact CG2-CE1 4.44Å
252S95.5Very high96.6Very high15 Ų1540.9 Ų40.911%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-71.2155171.667.40000111.4P214 K254 E255 L256P214-S252 CarbonylContact O-C 3.58Å; P214-S252 VanDerWaalsContact O-CA 3.32Å; P214-S252 WeakPolarHBondContact O-CA 3.41Å; S252-K254 PolarHBondContact O-N 3.39Å; S252-E255 VanDerWaalsContact CB-OE2 3.24Å; S252-E255 WeakPolarHBondContact CB-OE2 3.47Å; S252-E255 PolarHBondContact N-OE2 3.35Å; S252-E255 PolarHBondContact O-N 3.24Å; S252-E255 WeakPolarHBondContact OG-CB 3.34Å; S252-E255 VanDerWaalsContact OG-CD 3.23Å; S252-E255 VanDerWaalsContact OG-CG 3.25Å; S252-E255 WeakPolarHBondContact OG-CG 3.39Å; S252-E255 PolarHBondContact OG-N 3.46Å; S252-E255 PolarHBondContact OG-OE2 3.41Å; S252-L256 WeakPolarHBondContact O-CB 3.25Å; S252-L256 PolarHBondContact O-N 2.85Å
253I94.5Very high96.6Very high22 Ų2241.5 Ų41.511%0.11321%0.211CC..Hα-helixtrans-60.2-29174.1-62.5-57.3000111.8V208 G212 P214 R216 L256 A257V208-I253 HydrophobicContact CG1-CG2 3.78Å; G212-I253 CarbonylContact O-C 3.56Å; G212-I253 PolarHBondContact O-N 3.03Å; G212-I253 VanDerWaalsContact O-N 3.13Å; P214-I253 HydrophobicContact CB-CG1 4.24Å; P214-I253 PolarHBondContact O-N 2.73Å; R216-I253 HydrophobicContact CG-CD1 4.07Å; I253-L256 HydrophobicContact CD1-CD2 4.14Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 2.88Å
254K95.8Very high96.5Very high99 Ų9942 Ų4243%0.4321%0.213SC..Hα-helixtrans-65.1-54.4172.4167.6165.5-178.9-171.90111.8G212 S252 L256 A257 E258 Y272G212-K254 PolarHBondContact O-N 3.36Å; S252-K254 PolarHBondContact O-N 3.39Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.14Å; K254-A257 WeakPolarHBondContact O-CB 3.38Å; K254-A257 PolarHBondContact O-N 3.25Å; K254-E258 WeakPolarHBondContact CE-OE1 3.48Å; K254-E258 IonicContact NZ-OE1 2.66Å; K254-E258 WeakPolarHBondContact O-CG 3.35Å; K254-E258 PolarHBondContact O-N 2.79Å; K254-Y272 HydrophobicContact CB-CE1 4.33Å; K254-Y272 WeakPolarHBondContact CG-OH 3.34Å
255E96.4Very high96.5Very high92 Ų9243.7 Ų43.743%0.4323%0.231SC..Hα-helixtrans-59.6-39.4177.3-72.5157.3148.300110.9V251 S252 A257 E258 E259V251-E255 HydrophobicContact CG1-CB 3.48Å; V251-E255 VanDerWaalsContact CG1-CB 3.48Å; S252-E255 VanDerWaalsContact CB-OE2 3.24Å; S252-E255 WeakPolarHBondContact CB-OE2 3.47Å; S252-E255 PolarHBondContact N-OE2 3.35Å; S252-E255 PolarHBondContact O-N 3.24Å; S252-E255 WeakPolarHBondContact OG-CB 3.34Å; S252-E255 VanDerWaalsContact OG-CD 3.23Å; S252-E255 VanDerWaalsContact OG-CG 3.25Å; S252-E255 WeakPolarHBondContact OG-CG 3.39Å; S252-E255 PolarHBondContact OG-N 3.46Å; S252-E255 PolarHBondContact OG-OE2 3.41Å; E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.02Å; E255-E258 PolarHBondContact O-N 3.17Å; E255-E259 WeakPolarHBondContact O-CB 3.18Å; E255-E259 WeakPolarHBondContact O-CG 3.37Å; E255-E259 PolarHBondContact O-N 3.28Å
256L96.6Very high96.5Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-56.7-46.4172.2170.266.5000112.1L189 L192 F218 V251 S252 I253 K254 E259 I260 F302L189-L256 HydrophobicContact CB-CD2 4.31Å; L189-L256 HydrophobicContact CD1-CD1 3.69Å; L189-L256 HydrophobicContact CG-CD1 3.87Å; L192-L256 HydrophobicContact CD2-CD2 4.29Å; L192-L256 HydrophobicContact CD2-CG 4.25Å; F218-L256 HydrophobicContact CE1-CD2 4.45Å; F218-L256 HydrophobicContact CE2-CD2 4.13Å; F218-L256 HydrophobicContact CZ-CD2 3.7Å; V251-L256 HydrophobicContact CG1-CB 4.42Å; S252-L256 WeakPolarHBondContact O-CB 3.25Å; S252-L256 PolarHBondContact O-N 2.85Å; I253-L256 HydrophobicContact CD1-CD2 4.14Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.14Å; L256-E259 PolarHBondContact O-N 3.29Å; L256-I260 HydrophobicContact CD1-CD1 3.86Å; L256-I260 HydrophobicContact CD1-CG1 4.24Å; L256-I260 HydrophobicContact CG-CD1 4.01Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.21Å; L256-I260 PolarHBondContact O-N 3.27Å; L256-F302 HydrophobicContact CD1-CE1 4.43Å; L256-F302 HydrophobicContact CD1-CZ 3.67Å
257A96.8Very high96.4Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-64-42.8179.400000111.5L192 V208 I253 K254 E255 I260 V261L192-A257 HydrophobicContact CD2-CB 3.97Å; V208-A257 HydrophobicContact CG2-CB 3.77Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 2.88Å; K254-A257 WeakPolarHBondContact O-CB 3.38Å; K254-A257 PolarHBondContact O-N 3.25Å; E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.02Å; A257-I260 PolarHBondContact O-N 2.68Å; A257-V261 WeakPolarHBondContact O-CG2 3.38Å; A257-V261 PolarHBondContact O-N 2.82Å
258E96.8Very high96.4Very high74 Ų7450.8 Ų50.835%0.34627%0.269SS..Hα-helixtrans-61.6-45.5176.8-69.5168.9173.800111.4K254 E255 I260 V261 N262 I270K254-E258 WeakPolarHBondContact CE-OE1 3.48Å; K254-E258 IonicContact NZ-OE1 2.66Å; K254-E258 WeakPolarHBondContact O-CG 3.35Å; K254-E258 PolarHBondContact O-N 2.79Å; E255-E258 PolarHBondContact O-N 3.17Å; E258-I260 PolarHBondContact O-N 3.19Å; E258-V261 PolarHBondContact O-N 3.28Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.41Å; E258-N262 PolarHBondContact O-ND2 2.87Å; E258-I270 HydrophobicContact CG-CD1 4.31Å
259E97.2Very high96.4Very high61 Ų6150.5 Ų50.529%0.28527%0.267SS..Hα-helixtrans-63.5-39.1175.7-73.3-66.4167.100112.4E255 L256 N262 A263 F302 L306E255-E259 WeakPolarHBondContact O-CB 3.18Å; E255-E259 WeakPolarHBondContact O-CG 3.37Å; E255-E259 PolarHBondContact O-N 3.28Å; L256-E259 PolarHBondContact O-N 3.29Å; E259-N262 PolarHBondContact O-N 3.42Å; E259-A263 VanDerWaalsContact O-CB 3.28Å; E259-A263 WeakPolarHBondContact O-CB 3.44Å; E259-A263 PolarHBondContact O-N 3.49Å; E259-F302 HydrophobicContact CB-CE1 4.15Å; E259-F302 HydrophobicContact CG-CD1 4.44Å; E259-F302 HydrophobicContact CG-CE1 4.15Å; E259-L306 VanDerWaalsContact C-CD2 3.45Å; E259-L306 HydrophobicContact CB-CD2 3.47Å; E259-L306 VanDerWaalsContact CB-CD2 3.47Å
260I97.9Very high96.5Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-64.1-43.8174.7-73.5170000110.7L192 I193 C196 L256 A257 E258 N262 A263 M264 L306L192-I260 HydrophobicContact CB-CD1 3.82Å; L192-I260 HydrophobicContact CD2-CD1 3.73Å; L192-I260 HydrophobicContact CG-CD1 3.66Å; I193-I260 HydrophobicContact CG1-CD1 3.94Å; I193-I260 HydrophobicContact CG1-CG1 4.09Å; I193-I260 HydrophobicContact CG1-CG2 4.33Å; C196-I260 HydrophobicContact CB-CG2 3.67Å; L256-I260 HydrophobicContact CD1-CD1 3.86Å; L256-I260 HydrophobicContact CD1-CG1 4.24Å; L256-I260 HydrophobicContact CG-CD1 4.01Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.21Å; L256-I260 PolarHBondContact O-N 3.27Å; A257-I260 PolarHBondContact O-N 2.68Å; E258-I260 PolarHBondContact O-N 3.19Å; I260-N262 VanDerWaalsContact C-N 3.34Å; I260-N262 PolarHBondContact O-N 2.93Å; I260-A263 PolarHBondContact O-N 2.89Å; I260-M264 VanDerWaalsContact O-CB 3.22Å; I260-M264 WeakPolarHBondContact O-CB 3.18Å; I260-M264 PolarHBondContact O-N 3.38Å; I260-L306 HydrophobicContact CG1-CD1 3.9Å; I260-L306 HydrophobicContact CG1-CD2 3.86Å; I260-L306 HydrophobicContact CG1-CG 4.3Å
261V97.4Very high96.6Very high16 Ų1651.9 Ų51.910%0.09727%0.272CS..Hα-helixtrans-61-45.1178.7163.10000110.8L206 A257 E258 M264 G265 F266 I270L206-V261 HydrophobicContact CD2-CG2 3.67Å; A257-V261 WeakPolarHBondContact O-CG2 3.38Å; A257-V261 PolarHBondContact O-N 2.82Å; E258-V261 PolarHBondContact O-N 3.28Å; V261-M264 PolarHBondContact O-N 3.18Å; V261-G265 PolarHBondContact O-N 3.13Å; V261-F266 HydrophobicContact CB-CB 4.5Å; V261-F266 HydrophobicContact CB-CD1 4.45Å; V261-F266 HydrophobicContact CG1-CB 4.08Å; V261-F266 HydrophobicContact CG1-CD1 4.01Å; V261-F266 WeakPolarHBondContact CG1-O 3.41Å; V261-F266 HydrophobicContact CG2-CB 4.42Å; V261-F266 HydrophobicContact CG2-CD1 3.73Å; V261-F266 PolarHBondContact O-N 2.86Å; V261-I270 HydrophobicContact CB-CD1 4.46Å; V261-I270 HydrophobicContact CG2-CD1 3.81Å; V261-I270 HydrophobicContact CG2-CG1 4.06Å
262N97.2Very high96.6Very high114 Ų11454.2 Ų54.261%0.6128%0.279SS*.Hα-helixtrans-61.3-48.7175.2-69.5-24.6000111.4E258 E259 I260 M264 G265E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.41Å; E258-N262 PolarHBondContact O-ND2 2.87Å; E259-N262 PolarHBondContact O-N 3.42Å; I260-N262 VanDerWaalsContact C-N 3.34Å; I260-N262 PolarHBondContact O-N 2.93Å; N262-M264 PolarHBondContact O-N 2.71Å; N262-G265 PolarHBondContact O-N 3.21Å
263A98Very high96.5Very high14 Ų1455.8 Ų55.812%0.11629%0.286CS..Hα-helixtrans-63.9-37.9-179.500000113.2E259 I260 G265 K307 V310E259-A263 VanDerWaalsContact O-CB 3.28Å; E259-A263 WeakPolarHBondContact O-CB 3.44Å; E259-A263 PolarHBondContact O-N 3.49Å; I260-A263 PolarHBondContact O-N 2.89Å; A263-G265 VanDerWaalsContact C-N 3.33Å; A263-K307 HydrophobicContact CB-CB 4.49Å; A263-K307 HydrophobicContact CB-CD 3.92Å; A263-K307 WeakPolarHBondContact O-CD 3.44Å; A263-K307 WeakPolarHBondContact O-CE 3.4Å; A263-V310 HydrophobicContact CB-CB 4.25Å; A263-V310 HydrophobicContact CB-CG1 4.46Å; A263-V310 HydrophobicContact CB-CG2 3.96Å
264M97.6Very high96.4Very high11 Ų1159.1 Ų59.15%0.05431%0.311CS..Hα-helixtrans-77.5-19.3178.1-168.768.671.200112.3I193 C196 F197 K200 I260 V261 N262 F266 V310 V314I193-M264 HydrophobicContact CG2-CE 3.97Å; I193-M264 WeakPolarHBondContact O-CE 3.4Å; C196-M264 HydrophobicContact CB-CE 4.39Å; F197-M264 HydrophobicContact CB-CE 3.83Å; F197-M264 HydrophobicContact CB-SD 4.3Å; F197-M264 HydrophobicContact CD2-SD 4.12Å; K200-M264 HydrophobicContact CD-CG 3.99Å; K200-M264 PolarHBondContact NZ-O 3.23Å; I260-M264 VanDerWaalsContact O-CB 3.22Å; I260-M264 WeakPolarHBondContact O-CB 3.18Å; I260-M264 PolarHBondContact O-N 3.38Å; V261-M264 PolarHBondContact O-N 3.18Å; N262-M264 PolarHBondContact O-N 2.71Å; M264-F266 VanDerWaalsContact C-N 3.34Å; M264-V310 HydrophobicContact CB-CG1 4.26Å; M264-V310 HydrophobicContact CE-CG1 3.74Å; M264-V310 HydrophobicContact SD-CG1 3.86Å; M264-V314 HydrophobicContact CE-CG2 4.49Å; M264-V314 HydrophobicContact SD-CG2 3.76Å
265G97.1Very high96.2Very high36 Ų3659 Ų5937%0.37132%0.322SS..THydrogen-bonded Turntrans62.641.8-168.100000111.8K200 V261 N262 A263K200-G265 WeakPolarHBondContact CE-O 3.49Å; K200-G265 PolarHBondContact NZ-O 3.2Å; V261-G265 PolarHBondContact O-N 3.13Å; N262-G265 PolarHBondContact O-N 3.21Å; A263-G265 VanDerWaalsContact C-N 3.33Å
266F97.4Very high95.7Very high9 Ų959.9 Ų59.94%0.03933%0.325CS..  trans-81.2140.5172.1176.6-111.7000109.3A199 K200 T204 L206 V261 M264 G268A199-F266 HydrophobicContact CB-CE2 3.82Å; A199-F266 HydrophobicContact CB-CZ 3.93Å; K200-F266 HydrophobicContact CB-CD2 3.77Å; K200-F266 HydrophobicContact CB-CE2 4.46Å; K200-F266 HydrophobicContact CG-CD2 4.31Å; T204-F266 WeakPolarHBondContact O-CZ 3.02Å; L206-F266 HydrophobicContact CB-CE1 3.8Å; L206-F266 HydrophobicContact CB-CZ 4.23Å; V261-F266 HydrophobicContact CB-CB 4.5Å; V261-F266 HydrophobicContact CB-CD1 4.45Å; V261-F266 HydrophobicContact CG1-CB 4.08Å; V261-F266 HydrophobicContact CG1-CD1 4.01Å; V261-F266 WeakPolarHBondContact CG1-O 3.41Å; V261-F266 HydrophobicContact CG2-CB 4.42Å; V261-F266 HydrophobicContact CG2-CD1 3.73Å; V261-F266 PolarHBondContact O-N 2.86Å; M264-F266 VanDerWaalsContact C-N 3.34Å; F266-G268 VanDerWaalsContact CE1-O 3.26Å; F266-G268 WeakPolarHBondContact CE1-O 3.44Å
267Q95.3Very high95Very high184 Ų18465 Ų6586%0.8636%0.36SS*.  trans-122.23.7-177.1-61.3-66.3-66.900112.4
268G95.7Very high94.3Very high37 Ų3767 Ų6738%0.38137%0.371SS..SBendtrans-83.2178.7176.700000112.3F266F266-G268 VanDerWaalsContact CE1-O 3.26Å; F266-G268 WeakPolarHBondContact CE1-O 3.44Å
269E96.1Very high93.4Very high142 Ų14265.9 Ų65.966%0.66438%0.379SS*.  trans-76149.9-179.3-62.2-178.8177.100112P205 L206P205-E269 CarbonylContact C-O 3.58Å; P205-E269 WeakPolarHBondContact CA-O 3.5Å; L206-E269 PolarHBondContact N-O 2.88Å
270I96.9Very high92.5Very high50 Ų5064.9 Ų64.926%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-101.8121.7169-53176.4000107.7V208 E258 V261 Y272V208-I270 HydrophobicContact CG2-CG2 3.76Å; E258-I270 HydrophobicContact CG-CD1 4.31Å; V261-I270 HydrophobicContact CB-CD1 4.46Å; V261-I270 HydrophobicContact CG2-CD1 3.81Å; V261-I270 HydrophobicContact CG2-CG1 4.06Å; I270-Y272 HydrophobicContact CG2-CD2 4.48Å; I270-Y272 HydrophobicContact CG2-CE2 3.81Å
271E96.7Very high91.8Very high93 Ų9370.1 Ų70.144%0.43540%0.398SS..EExtended strand (participates in β ladder)trans-108.3137.3176-70.1-179.8168.500110.5P205 L206 T207 V208P205-E271 HydrophobicContact CB-CG 3.85Å; P205-E271 HydrophobicContact CG-CG 4.5Å; L206-E271 PolarHBondContact O-N 3.24Å; T207-E271 CarbonylContact C-O 3.54Å; T207-E271 WeakPolarHBondContact CA-O 3.37Å; V208-E271 PolarHBondContact N-O 3.16Å
272Y95.4Very high91.3Very high70 Ų7073.3 Ų73.328%0.27541%0.41SS..EExtended strand (participates in β ladder)trans-106111.6176.8-67.5-89.3000110V208 K254 I270 C274V208-Y272 HydrophobicContact CB-CD1 3.85Å; V208-Y272 HydrophobicContact CB-CE1 3.94Å; V208-Y272 HydrophobicContact CG1-CD1 3.97Å; V208-Y272 HydrophobicContact CG1-CE1 3.91Å; V208-Y272 HydrophobicContact CG2-CE1 4.24Å; V208-Y272 WeakPolarHBondContact O-CA 3.42Å; K254-Y272 HydrophobicContact CB-CE1 4.33Å; K254-Y272 WeakPolarHBondContact CG-OH 3.34Å; I270-Y272 HydrophobicContact CG2-CD2 4.48Å; I270-Y272 HydrophobicContact CG2-CE2 3.81Å; Y272-C274 PolarHBondContact O-N 2.96Å
273D93.8Very high90.8Very high47 Ų4770.5 Ų70.525%0.25139%0.392SS..EExtended strand (participates in β ladder)trans-81.683.3175.1-178.16.2000110.2T207 V208 L209 G210 S275 K276T207-D273 HydrophobicContact CG2-CB 3.96Å; V208-D273 PolarHBondContact O-N 3.17Å; L209-D273 HydrophobicContact CD2-CB 4.26Å; G210-D273 WeakPolarHBondContact CA-O 3.34Å; G210-D273 PolarHBondContact N-O 2.89Å; D273-S275 VanDerWaalsContact CG-OG 3.31Å; D273-S275 PolarHBondContact O-N 2.98Å; D273-S275 VanDerWaalsContact O-N 3.12Å; D273-S275 WeakPolarHBondContact OD1-CB 3.45Å; D273-S275 PolarHBondContact OD1-N 3.46Å; D273-S275 PolarHBondContact OD1-OG 3.33Å; D273-S275 PolarHBondContact OD2-OG 3.37Å; D273-K276 PolarHBondContact O-N 2.92Å; D273-K276 VanDerWaalsContact O-N 3.16Å; D273-K276 WeakPolarHBondContact OD2-CE 3.48Å; D273-K276 WeakPolarHBondContact OD2-CG 3.15Å
274C92Very high90.7Very high93 Ų9370.5 Ų70.563%0.62839%0.391SS*.THydrogen-bonded Turntrans-67.2-1.7176.1-650000113.8Y272Y272-C274 PolarHBondContact O-N 2.96Å
275S91.3Very high90.7Very high96 Ų9670 Ų7067%0.67139%0.388SS*.THydrogen-bonded Turntrans-74.5-17.1169.781.10000112.4D273D273-S275 VanDerWaalsContact CG-OG 3.31Å; D273-S275 PolarHBondContact O-N 2.98Å; D273-S275 VanDerWaalsContact O-N 3.12Å; D273-S275 WeakPolarHBondContact OD1-CB 3.45Å; D273-S275 PolarHBondContact OD1-N 3.46Å; D273-S275 PolarHBondContact OD1-OG 3.33Å; D273-S275 PolarHBondContact OD2-OG 3.37Å
276K86.1Confident90.7Very high110 Ų11069.3 Ų69.348%0.47838%0.378SS..SBendtrans-93152.8175.8-53.8-54.3177.7-172.40111.5L209 D273L209-K276 HydrophobicContact CB-CB 4.05Å; L209-K276 HydrophobicContact CB-CG 4.16Å; L209-K276 HydrophobicContact CD2-CG 4.06Å; L209-K276 HydrophobicContact CG-CG 4.44Å; D273-K276 PolarHBondContact O-N 2.92Å; D273-K276 VanDerWaalsContact O-N 3.16Å; D273-K276 WeakPolarHBondContact OD2-CE 3.48Å; D273-K276 WeakPolarHBondContact OD2-CG 3.15Å
277S82.5Confident90.8Very high107 Ų10769.2 Ų69.275%0.74838%0.378SS*.  trans-68.3137179.7-176.80000112.2G279S277-G279 PolarHBondContact O-N 3.48Å; S277-G279 PolarHBondContact OG-N 3.31Å; S277-G279 VanDerWaalsContact OG-N 3.15Å
278D82.3Confident90.9Very high44 Ų4462.6 Ų62.624%0.23536%0.355CS..  trans-65.3-18.6169-80.2-0.5000112.7G210 S211 R213 P214G210-D278 WeakPolarHBondContact CA-OD1 3.29Å; S211-D278 WeakPolarHBondContact CB-OD1 3.48Å; S211-D278 PolarHBondContact N-OD1 3.05Å; S211-D278 PolarHBondContact OG-OD2 3.43Å; R213-D278 IonicContact NH2-OD2 2.79Å; R213-D278 PolarHBondContact NH2-OD2 2.74Å; P214-D278 HydrophobicContact CG-CB 3.73Å; P214-D278 VanDerWaalsContact CG-O 3.25Å; P214-D278 WeakPolarHBondContact CG-O 3.06Å
279G78.6Confident91Very high49 Ų4962.4 Ų62.451%0.50534%0.343SS..  trans65.7-154.6-167.200000112.1S277S277-G279 PolarHBondContact O-N 3.48Å; S277-G279 PolarHBondContact OG-N 3.31Å; S277-G279 VanDerWaalsContact OG-N 3.15Å
280Q78.3Confident91.2Very high40 Ų4055.7 Ų55.719%0.18731%0.312CS..  trans-66.9135.8176-73.9-177.5-8.600111.1D121 R216 K283D121-Q280 PolarHBondContact OD1-NE2 3.11Å; R216-Q280 VanDerWaalsContact CZ-O 3.25Å; R216-Q280 PolarHBondContact NH1-O 3.01Å; R216-Q280 PolarHBondContact NH2-O 3.21Å; Q280-K283 VanDerWaalsContact OE1-CG 3.26Å
281F83.2Confident91.2Very high111 Ų11156.1 Ų56.149%0.48731%0.311SS..SBendtrans-64.6-44.6-176.9-175.5-103.7000112.6R213 P214 L215 R216R213-F281 HydrophobicContact CB-CE2 4.13Å; P214-F281 CarbonylContact C-O 3.5Å; P214-F281 VanDerWaalsContact CA-O 3.27Å; P214-F281 WeakPolarHBondContact CA-O 3.34Å; L215-F281 PolarHBondContact N-O 2.94Å; R216-F281 PolarHBondContact NH1-O 3.49Å
282K85.8Confident91.3Very high83 Ų8361.8 Ų61.836%0.36133%0.328SS..  trans-142.7157.5177.362.6177.8179.1171.30111.7Y125Y125-K282 HydrophobicContact CD2-CD 4.18Å; Y125-K282 HydrophobicContact CD2-CG 4.16Å; Y125-K282 HydrophobicContact CE2-CG 4.06Å; Y125-K282 HydrophobicContact CG-CD 4.26Å; Y125-K282 HydrophobicContact CG-CG 4.4Å; Y125-K282 PolarHBondContact OH-O 3.12Å; Y125-K282 VanDerWaalsContact OH-O 3.06Å
283K87.4Confident91.4Very high54 Ų5462.8 Ų62.824%0.23533%0.332CS..  trans-139.135.9175.6-74.9-173.5173.6-177.70111Q280 A285Q280-K283 VanDerWaalsContact OE1-CG 3.26Å; K283-A285 PolarHBondContact O-N 3.41Å; K283-A285 VanDerWaalsContact O-N 3.14Å
284T95.3Very high91.5Very high14 Ų1462.2 Ų62.29%0.08633%0.328CS..  trans-56.8115.6-169.5-42.90000111.4P126 I127 P247 E250P126-T284 CarbonylContact C-O 3.59Å; P126-T284 VanDerWaalsContact CA-O 3.27Å; P126-T284 WeakPolarHBondContact CA-O 3.47Å; P126-T284 HydrophobicContact CB-CG2 4.17Å; I127-T284 WeakPolarHBondContact CG1-O 3.42Å; I127-T284 PolarHBondContact N-O 3.18Å; P247-T284 HydrophobicContact CB-CG2 3.83Å; E250-T284 VanDerWaalsContact CD-OG1 3.26Å; E250-T284 WeakPolarHBondContact OE1-CA 3.48Å; E250-T284 WeakPolarHBondContact OE1-CB 3.39Å; E250-T284 WeakPolarHBondContact OE1-CG2 3.36Å; E250-T284 PolarHBondContact OE1-N 3.15Å; E250-T284 PolarHBondContact OE1-OG1 3.01Å; E250-T284 PolarHBondContact OE2-OG1 2.95Å
285A97.5Very high91.8Very high0 Ų061.6 Ų61.60%032%0.323CS..BIsolated β-bridgetrans-101.8135.7176.700000110.7T116 I127 Q217 I242 K283T116-A285 HydrophobicContact CG2-CB 4.16Å; I127-A285 HydrophobicContact CD1-CB 4.32Å; I127-A285 HydrophobicContact CG1-CB 3.9Å; I127-A285 WeakPolarHBondContact O-CA 3.19Å; Q217-A285 PolarHBondContact NE2-O 3.48Å; Q217-A285 PolarHBondContact OE1-O 3.43Å; I242-A285 HydrophobicContact CD1-CB 4.41Å; I242-A285 HydrophobicContact CG2-CB 3.95Å; K283-A285 PolarHBondContact O-N 3.41Å; K283-A285 VanDerWaalsContact O-N 3.14Å
286S98Very high92Very high22 Ų2264 Ų6415%0.15433%0.328CS..  trans-79.5126.6174.2-179.70000109.3I127 I242 A288I127-S286 PolarHBondContact O-N 3.37Å; I242-S286 WeakPolarHBondContact CD1-O 3.48Å; I242-S286 WeakPolarHBondContact CG2-O 3.37Å; S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 VanDerWaalsContact OG-CB 3.28Å; S286-A288 WeakPolarHBondContact OG-CB 3.22Å; S286-A288 PolarHBondContact OG-N 3.33Å
287N97.9Very high92.4Very high7 Ų760.4 Ų60.44%0.03731%0.313CS..  trans-9819.6169.170.8-7.5000111.7A244 V245 D246 K289 L290 R291A244-N287 WeakPolarHBondContact O-CB 3.43Å; A244-N287 PolarHBondContact O-ND2 2.75Å; V245-N287 PolarHBondContact O-ND2 2.86Å; D246-N287 PolarHBondContact N-ND2 2.85Å; D246-N287 PolarHBondContact OD1-ND2 2.96Å; D246-N287 PolarHBondContact OD1-OD1 2.76Å; N287-K289 PolarHBondContact O-N 2.81Å; N287-L290 HydrophobicContact CB-CB 4.32Å; N287-L290 HydrophobicContact CB-CD2 4.49Å; N287-L290 WeakPolarHBondContact O-CA 3.39Å; N287-L290 WeakPolarHBondContact O-CB 3.39Å; N287-L290 PolarHBondContact O-N 2.87Å; N287-R291 PolarHBondContact O-N 2.83Å
288A98.4Very high93.1Very high45 Ų4564 Ų6437%0.37232%0.315SS..Hα-helixtrans-56.4-36.3-177.500000112.9S286 R292S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 VanDerWaalsContact OG-CB 3.28Å; S286-A288 WeakPolarHBondContact OG-CB 3.22Å; S286-A288 PolarHBondContact OG-N 3.33Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.14Å
289K98.5Very high93.8Very high33 Ų3363.3 Ų63.314%0.14331%0.31CS..Hα-helixtrans-63.9-50.3173.9-172.3-175.4-71.9-162.10110.8E129 Y235 E237 P240 I241 N287 R291 R292 Y293E129-K289 WeakPolarHBondContact OE1-CB 3.24Å; Y235-K289 WeakPolarHBondContact OH-CD 3.35Å; Y235-K289 PolarHBondContact OH-NZ 2.86Å; E237-K289 IonicContact OE2-NZ 2.76Å; E237-K289 PolarHBondContact OE2-NZ 3.4Å; E237-K289 VanDerWaalsContact OE2-NZ 3.09Å; P240-K289 PolarHBondContact O-NZ 2.97Å; I241-K289 HydrophobicContact CB-CD 4.22Å; I241-K289 HydrophobicContact CD1-CD 4.29Å; I241-K289 HydrophobicContact CD1-CG 4.28Å; I241-K289 HydrophobicContact CG1-CD 3.99Å; I241-K289 HydrophobicContact CG1-CG 4.25Å; N287-K289 PolarHBondContact O-N 2.81Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.26Å; K289-R292 WeakPolarHBondContact O-CB 3.35Å; K289-R292 PolarHBondContact O-N 3.31Å; K289-R292 VanDerWaalsContact O-N 3.15Å; K289-Y293 HydrophobicContact CG-CD2 4.43Å; K289-Y293 HydrophobicContact CG-CE2 4.33Å; K289-Y293 WeakPolarHBondContact O-CD2 3.28Å; K289-Y293 PolarHBondContact O-N 3.44Å
290L98.3Very high94.7Very high2 Ų262.5 Ų62.51%0.0130%0.296CS..Hα-helixtrans-55.8-46.8176.4177.365000112.1L227 I241 N287 R292 Y293 L294 F299L227-L290 HydrophobicContact CD1-CD2 3.85Å; L227-L290 HydrophobicContact CD2-CD1 3.88Å; L227-L290 HydrophobicContact CD2-CD2 4.38Å; I241-L290 HydrophobicContact CD1-CB 4.36Å; I241-L290 HydrophobicContact CD1-CD1 4.28Å; I241-L290 HydrophobicContact CG1-CB 4.46Å; N287-L290 HydrophobicContact CB-CB 4.32Å; N287-L290 HydrophobicContact CB-CD2 4.49Å; N287-L290 WeakPolarHBondContact O-CA 3.39Å; N287-L290 WeakPolarHBondContact O-CB 3.39Å; N287-L290 PolarHBondContact O-N 2.87Å; L290-R292 VanDerWaalsContact C-N 3.26Å; L290-R292 PolarHBondContact O-N 3.06Å; L290-Y293 PolarHBondContact O-N 3.44Å; L290-Y293 VanDerWaalsContact O-N 3.07Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 PolarHBondContact O-N 2.89Å; L290-F299 HydrophobicContact CD2-CZ 3.97Å
291R98Very high95.6Very high59 Ų5964.6 Ų64.622%0.22331%0.313CS..Hα-helixtrans-64.3-24.7179.5-72.6-66.6-171.9-166.6-2.4113.9D246 N287 K289 P295 F297D246-R291 VanDerWaalsContact CG-NH2 3.3Å; D246-R291 IonicContact OD1-CZ 3.98Å; D246-R291 IonicContact OD1-NE 3.69Å; D246-R291 PolarHBondContact OD1-NE 3.06Å; D246-R291 IonicContact OD1-NH2 2.74Å; D246-R291 PolarHBondContact OD1-NH2 3.46Å; D246-R291 VanDerWaalsContact OD1-NH2 3.14Å; D246-R291 IonicContact OD2-CZ 2.65Å; D246-R291 IonicContact OD2-NE 3.38Å; D246-R291 IonicContact OD2-NH2 3.18Å; D246-R291 PolarHBondContact OD2-NH2 3.28Å; N287-R291 PolarHBondContact O-N 2.83Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.26Å; R291-P295 PolarHBondContact NH1-O 2.81Å; R291-P295 VanDerWaalsContact O-CA 3.25Å; R291-P295 WeakPolarHBondContact O-CA 3.4Å; R291-P295 WeakPolarHBondContact O-CD 3.35Å; R291-F297 PolarHBondContact NH1-O 3.21Å
292R97.9Very high96.2Very high211 Ų21161.2 Ų61.280%0.79630%0.298SS*.Hα-helixtrans-69.6-37.3171.5-72.3169.8-176.9174.82.6112.3A288 K289 L290A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.14Å; K289-R292 WeakPolarHBondContact O-CB 3.35Å; K289-R292 PolarHBondContact O-N 3.31Å; K289-R292 VanDerWaalsContact O-N 3.15Å; L290-R292 VanDerWaalsContact C-N 3.26Å; L290-R292 PolarHBondContact O-N 3.06Å
293Y97.6Very high96.8Very high92 Ų9260 Ų6036%0.36130%0.299SS..Hα-helixtrans-80.8-37.9178.3-82-80.2000112.8W230 Y235 E237 I241 K289 L290W230-Y293 AromaticContact CH2-CD1 3.89Å; W230-Y293 HydrophobicContact CH2-CD1 3.89Å; W230-Y293 HydrophobicContact CH2-CD2 4.35Å; W230-Y293 AromaticContact CH2-CG 3.67Å; W230-Y293 HydrophobicContact CH2-CG 3.67Å; W230-Y293 AromaticContact CZ2-CD1 3.79Å; W230-Y293 HydrophobicContact CZ2-CD1 3.79Å; W230-Y293 AromaticContact CZ2-CG 3.89Å; W230-Y293 HydrophobicContact CZ2-CG 3.89Å; Y235-Y293 HydrophobicContact CD2-CD2 4.38Å; Y235-Y293 HydrophobicContact CD2-CE1 4.22Å; Y235-Y293 HydrophobicContact CD2-CE2 4.02Å; Y235-Y293 AromaticContact CD2-CZ 3.92Å; Y235-Y293 HydrophobicContact CE2-CD2 4.19Å; Y235-Y293 AromaticContact CE2-CE2 3.59Å; Y235-Y293 HydrophobicContact CE2-CE2 3.59Å; Y235-Y293 AromaticContact CE2-CZ 3.79Å; E237-Y293 WeakPolarHBondContact OE1-CE2 3.4Å; E237-Y293 PolarHBondContact OE1-OH 2.83Å; I241-Y293 HydrophobicContact CD1-CD2 4.41Å; K289-Y293 HydrophobicContact CG-CD2 4.43Å; K289-Y293 HydrophobicContact CG-CE2 4.33Å; K289-Y293 WeakPolarHBondContact O-CD2 3.28Å; K289-Y293 PolarHBondContact O-N 3.44Å; L290-Y293 PolarHBondContact O-N 3.44Å; L290-Y293 VanDerWaalsContact O-N 3.07Å
294L97Very high97.2Very high34 Ų3460.8 Ų60.818%0.17831%0.308CS..  trans-133.565.1-171.3-69-178.4000110.8L227 W230 L290 D296 F297L227-L294 HydrophobicContact CD2-CD1 3.72Å; W230-L294 HydrophobicContact CD2-CD1 3.64Å; W230-L294 HydrophobicContact CD2-CD2 4.49Å; W230-L294 HydrophobicContact CD2-CG 4.21Å; W230-L294 HydrophobicContact CE3-CD1 3.98Å; W230-L294 HydrophobicContact CG-CD1 3.93Å; W230-L294 HydrophobicContact CZ2-CD1 4.35Å; W230-L294 HydrophobicContact CZ2-CD2 4.47Å; W230-L294 HydrophobicContact CZ2-CG 4.09Å; W230-L294 HydrophobicContact CZ3-CD1 4.47Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 PolarHBondContact O-N 2.89Å; L294-D296 PolarHBondContact O-N 3.26Å; L294-F297 HydrophobicContact CB-CB 3.88Å; L294-F297 HydrophobicContact CD1-CB 4.49Å; L294-F297 HydrophobicContact CD1-CD2 4.33Å; L294-F297 PolarHBondContact O-N 2.62Å
295P97.1Very high97.4Very high80 Ų8060.1 Ų60.152%0.51930%0.304SS..THydrogen-bonded Turntrans-60.1-36.5-177.923.6-33.5000112.1R291R291-P295 PolarHBondContact NH1-O 2.81Å; R291-P295 VanDerWaalsContact O-CA 3.25Å; R291-P295 WeakPolarHBondContact O-CA 3.4Å; R291-P295 WeakPolarHBondContact O-CD 3.35Å
296D95.8Very high97.4Very high146 Ų14660.1 Ų60.178%0.78130%0.304SS*.THydrogen-bonded Turntrans-91.43.3-175.6-58.8-49.2000114.3L294 K298L294-D296 PolarHBondContact O-N 3.26Å; D296-K298 PolarHBondContact O-N 3.37Å
297F95.6Very high97.4Very high36 Ų3663.1 Ų63.116%0.15831%0.314CS..  trans-65.7121.7178-176.7-86.2000110.4D223 K226 L227 R291 L294 F299D223-F297 HydrophobicContact CB-CE1 4.46Å; D223-F297 HydrophobicContact CB-CZ 4.25Å; K226-F297 HydrophobicContact CB-CE2 4.13Å; K226-F297 HydrophobicContact CB-CZ 4.35Å; K226-F297 HydrophobicContact CD-CE2 4.45Å; L227-F297 HydrophobicContact CD1-CE1 4.38Å; L227-F297 HydrophobicContact CD1-CZ 4.45Å; L227-F297 HydrophobicContact CD2-CD1 4.21Å; L227-F297 HydrophobicContact CD2-CD2 3.85Å; L227-F297 HydrophobicContact CD2-CE1 4.01Å; L227-F297 HydrophobicContact CD2-CE2 3.63Å; L227-F297 HydrophobicContact CD2-CG 4.15Å; L227-F297 HydrophobicContact CD2-CZ 3.71Å; L227-F297 HydrophobicContact CG-CE1 4.21Å; L227-F297 HydrophobicContact CG-CE2 4.17Å; L227-F297 HydrophobicContact CG-CZ 3.84Å; R291-F297 PolarHBondContact NH1-O 3.21Å; L294-F297 HydrophobicContact CB-CB 3.88Å; L294-F297 HydrophobicContact CD1-CB 4.49Å; L294-F297 HydrophobicContact CD1-CD2 4.33Å; L294-F297 PolarHBondContact O-N 2.62Å; F297-F299 HydrophobicContact CD1-CD1 4.26Å; F297-F299 HydrophobicContact CD1-CD2 4.16Å; F297-F299 HydrophobicContact CD1-CE1 4.11Å; F297-F299 HydrophobicContact CD1-CE2 4.01Å; F297-F299 HydrophobicContact CD1-CG 4.28Å; F297-F299 AromaticContact CD1-CZ 3.97Å; F297-F299 HydrophobicContact CD1-CZ 3.97Å; F297-F299 AromaticContact CE1-CD1 3.62Å; F297-F299 HydrophobicContact CE1-CD1 3.62Å; F297-F299 HydrophobicContact CE1-CD2 4.33Å; F297-F299 AromaticContact CE1-CE1 3.6Å; F297-F299 HydrophobicContact CE1-CE1 3.6Å; F297-F299 HydrophobicContact CE1-CE2 4.31Å; F297-F299 AromaticContact CE1-CG 3.99Å; F297-F299 HydrophobicContact CE1-CG 3.99Å; F297-F299 AromaticContact CE1-CZ 3.96Å; F297-F299 HydrophobicContact CE1-CZ 3.96Å
298K95.8Very high97.4Very high182 Ų18267.1 Ų67.179%0.79133%0.332SS*.  trans-101.2115.8178.5-62.2-173.8-177.9-178.90109.3D296D296-K298 PolarHBondContact O-N 3.37Å
299F97.2Very high97.4Very high29 Ų2965 Ų6513%0.12732%0.315CS..PPolyproline II helixtrans-66.5149.3168.3-66.5-83000110.1I219 D223 L227 A244 V245 L290 F297I219-F299 HydrophobicContact CD1-CE1 3.86Å; I219-F299 HydrophobicContact CG1-CD1 4.46Å; I219-F299 HydrophobicContact CG1-CE1 4.28Å; D223-F299 HydrophobicContact CB-CD1 4.15Å; L227-F299 HydrophobicContact CD1-CE1 3.98Å; L227-F299 HydrophobicContact CD1-CZ 4.29Å; A244-F299 VanDerWaalsContact O-CZ 3.29Å; A244-F299 WeakPolarHBondContact O-CZ 3.44Å; V245-F299 HydrophobicContact CG1-CB 4.37Å; V245-F299 HydrophobicContact CG1-CD1 4.01Å; V245-F299 HydrophobicContact CG1-CD2 4.35Å; V245-F299 HydrophobicContact CG1-CE1 4.41Å; V245-F299 HydrophobicContact CG1-CG 3.99Å; L290-F299 HydrophobicContact CD2-CZ 3.97Å; F297-F299 HydrophobicContact CD1-CD1 4.26Å; F297-F299 HydrophobicContact CD1-CD2 4.16Å; F297-F299 HydrophobicContact CD1-CE1 4.11Å; F297-F299 HydrophobicContact CD1-CE2 4.01Å; F297-F299 HydrophobicContact CD1-CG 4.28Å; F297-F299 AromaticContact CD1-CZ 3.97Å; F297-F299 HydrophobicContact CD1-CZ 3.97Å; F297-F299 AromaticContact CE1-CD1 3.62Å; F297-F299 HydrophobicContact CE1-CD1 3.62Å; F297-F299 HydrophobicContact CE1-CD2 4.33Å; F297-F299 AromaticContact CE1-CE1 3.6Å; F297-F299 HydrophobicContact CE1-CE1 3.6Å; F297-F299 HydrophobicContact CE1-CE2 4.31Å; F297-F299 AromaticContact CE1-CG 3.99Å; F297-F299 HydrophobicContact CE1-CG 3.99Å; F297-F299 AromaticContact CE1-CZ 3.96Å; F297-F299 HydrophobicContact CE1-CZ 3.96Å
300T97.1Very high97.4Very high33 Ų3363.4 Ų63.420%0.20231%0.308CS..PPolyproline II helixtrans-62.7126.9170.4-55.80000108Y220 D223 F302 V304 A305Y220-T300 HydrophobicContact CD1-CG2 4.17Å; D223-T300 VanDerWaalsContact CG-OG1 3.3Å; D223-T300 PolarHBondContact OD1-OG1 3.41Å; D223-T300 WeakPolarHBondContact OD2-CB 3.49Å; D223-T300 PolarHBondContact OD2-N 3.43Å; D223-T300 PolarHBondContact OD2-OG1 3.15Å; T300-F302 PolarHBondContact O-N 3.39Å; T300-V304 HydrophobicContact CG2-CB 4.2Å; T300-V304 HydrophobicContact CG2-CG1 4.08Å; T300-A305 HydrophobicContact CG2-CB 3.9Å
301P97.2Very high97.4Very high84 Ų8466.9 Ų66.955%0.54533%0.326SS..PPolyproline II helixtrans-53.1134178.3-27.535000111.4V304 A305P301-V304 HydrophobicContact CB-CB 4.45Å; P301-V304 HydrophobicContact CB-CG2 4.11Å; P301-V304 HydrophobicContact CG-CG2 4.48Å; P301-V304 WeakPolarHBondContact O-CA 3.35Å; P301-V304 WeakPolarHBondContact O-CB 3.49Å; P301-V304 PolarHBondContact O-N 3.2Å; P301-A305 PolarHBondContact O-N 3.19Å; P301-A305 VanDerWaalsContact O-N 3.09Å
302F97.4Very high97.4Very high39 Ų3965.7 Ų65.717%0.17132%0.322CS..Hα-helixtrans-52.8-45.9-171.2177.6-104000114.2F175 L189 F218 V251 L256 E259 T300 V304 A305 L306F175-F302 HydrophobicContact CE1-CD2 4.16Å; F175-F302 AromaticContact CE1-CE2 4Å; F175-F302 HydrophobicContact CE1-CE2 4Å; F175-F302 AromaticContact CZ-CD2 3.94Å; F175-F302 HydrophobicContact CZ-CD2 3.94Å; F175-F302 AromaticContact CZ-CE2 3.88Å; F175-F302 HydrophobicContact CZ-CE2 3.88Å; L189-F302 HydrophobicContact CD1-CE2 4.39Å; F218-F302 HydrophobicContact CB-CD2 4.24Å; F218-F302 HydrophobicContact CB-CE2 3.83Å; F218-F302 HydrophobicContact CD2-CE2 4.09Å; F218-F302 HydrophobicContact CD2-CZ 4.39Å; F218-F302 HydrophobicContact CG-CE2 4.1Å; V251-F302 HydrophobicContact CG1-CE1 4.31Å; V251-F302 HydrophobicContact CG2-CD1 4.29Å; V251-F302 HydrophobicContact CG2-CE1 4.44Å; L256-F302 HydrophobicContact CD1-CE1 4.43Å; L256-F302 HydrophobicContact CD1-CZ 3.67Å; E259-F302 HydrophobicContact CB-CE1 4.15Å; E259-F302 HydrophobicContact CG-CD1 4.44Å; E259-F302 HydrophobicContact CG-CE1 4.15Å; T300-F302 PolarHBondContact O-N 3.39Å; F302-V304 VanDerWaalsContact C-N 3.29Å; F302-V304 PolarHBondContact O-N 2.88Å; F302-A305 PolarHBondContact O-N 3.03Å; F302-L306 HydrophobicContact CE1-CD2 4.27Å; F302-L306 HydrophobicContact CZ-CD2 4.35Å; F302-L306 VanDerWaalsContact O-CB 3.31Å; F302-L306 WeakPolarHBondContact O-CB 3.25Å; F302-L306 PolarHBondContact O-N 2.82Å
303P96.9Very high97.4Very high59 Ų5955.7 Ų55.738%0.38328%0.284SS..Hα-helixtrans-61.4-32.9176.3-25.335.9000114.1K307P303-K307 VanDerWaalsContact O-CB 3.27Å; P303-K307 WeakPolarHBondContact O-CB 3.44Å; P303-K307 PolarHBondContact O-N 3.28Å
304V97.7Very high97.4Very high69 Ų6954.4 Ų54.442%0.41829%0.286SS..Hα-helixtrans-70.7-51.2178.6177.20000110.2T300 P301 F302 L306 K307 E308T300-V304 HydrophobicContact CG2-CB 4.2Å; T300-V304 HydrophobicContact CG2-CG1 4.08Å; P301-V304 HydrophobicContact CB-CB 4.45Å; P301-V304 HydrophobicContact CB-CG2 4.11Å; P301-V304 HydrophobicContact CG-CG2 4.48Å; P301-V304 WeakPolarHBondContact O-CA 3.35Å; P301-V304 WeakPolarHBondContact O-CB 3.49Å; P301-V304 PolarHBondContact O-N 3.2Å; F302-V304 VanDerWaalsContact C-N 3.29Å; F302-V304 PolarHBondContact O-N 2.88Å; V304-L306 VanDerWaalsContact C-N 3.27Å; V304-L306 PolarHBondContact O-N 3.07Å; V304-K307 PolarHBondContact O-N 3.08Å; V304-E308 WeakPolarHBondContact O-CG 3.3Å; V304-E308 PolarHBondContact O-N 3.31Å
305A97.9Very high97.5Very high1 Ų161.2 Ų61.21%0.00831%0.314CS..Hα-helixtrans-59-40.2177.400000111.9F175 Y220 T300 P301 F302 T309F175-A305 HydrophobicContact CE2-CB 3.91Å; F175-A305 HydrophobicContact CZ-CB 3.63Å; Y220-A305 HydrophobicContact CD1-CB 3.8Å; Y220-A305 HydrophobicContact CD2-CB 3.9Å; Y220-A305 HydrophobicContact CE1-CB 4.3Å; Y220-A305 HydrophobicContact CE2-CB 4.43Å; Y220-A305 HydrophobicContact CG-CB 3.58Å; T300-A305 HydrophobicContact CG2-CB 3.9Å; P301-A305 PolarHBondContact O-N 3.19Å; P301-A305 VanDerWaalsContact O-N 3.09Å; F302-A305 PolarHBondContact O-N 3.03Å; A305-T309 WeakPolarHBondContact O-CB 3.22Å; A305-T309 PolarHBondContact O-N 2.71Å; A305-T309 PolarHBondContact O-OG1 3.39Å
306L98Very high97.5Very high0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-66.2-45.3177.2-172.768.1000111.4F175 L189 I193 E259 I260 F302 V304 E308 T309 V310F175-L306 HydrophobicContact CE2-CB 4.45Å; F175-L306 HydrophobicContact CE2-CD1 4.41Å; L189-L306 HydrophobicContact CD1-CD1 4.29Å; L189-L306 HydrophobicContact CD2-CD1 4.17Å; L189-L306 HydrophobicContact CG-CD1 4.39Å; I193-L306 HydrophobicContact CD1-CD1 4.16Å; E259-L306 VanDerWaalsContact C-CD2 3.45Å; E259-L306 HydrophobicContact CB-CD2 3.47Å; E259-L306 VanDerWaalsContact CB-CD2 3.47Å; I260-L306 HydrophobicContact CG1-CD1 3.9Å; I260-L306 HydrophobicContact CG1-CD2 3.86Å; I260-L306 HydrophobicContact CG1-CG 4.3Å; F302-L306 HydrophobicContact CE1-CD2 4.27Å; F302-L306 HydrophobicContact CZ-CD2 4.35Å; F302-L306 VanDerWaalsContact O-CB 3.31Å; F302-L306 WeakPolarHBondContact O-CB 3.25Å; F302-L306 PolarHBondContact O-N 2.82Å; V304-L306 VanDerWaalsContact C-N 3.27Å; V304-L306 PolarHBondContact O-N 3.07Å; L306-E308 PolarHBondContact O-N 3.5Å; L306-T309 WeakPolarHBondContact O-CB 3.41Å; L306-T309 PolarHBondContact O-N 3.02Å; L306-V310 HydrophobicContact CG-CG2 4.48Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 2.94Å
307K98.2Very high97.6Very high85 Ų8554.9 Ų54.937%0.3727%0.273SS..Hα-helixtrans-59.1-46.3176.8-175.561.4168.671.60112A263 P303 V304 T309 V310 D311A263-K307 HydrophobicContact CB-CB 4.49Å; A263-K307 HydrophobicContact CB-CD 3.92Å; A263-K307 WeakPolarHBondContact O-CD 3.44Å; A263-K307 WeakPolarHBondContact O-CE 3.4Å; P303-K307 VanDerWaalsContact O-CB 3.27Å; P303-K307 WeakPolarHBondContact O-CB 3.44Å; P303-K307 PolarHBondContact O-N 3.28Å; V304-K307 PolarHBondContact O-N 3.08Å; K307-T309 VanDerWaalsContact C-N 3.29Å; K307-T309 PolarHBondContact O-N 3.21Å; K307-V310 PolarHBondContact O-N 2.9Å; K307-D311 IonicContact NZ-OD1 3.01Å; K307-D311 PolarHBondContact NZ-OD1 2.88Å; K307-D311 IonicContact NZ-OD2 3.38Å; K307-D311 PolarHBondContact NZ-OD2 3.29Å; K307-D311 WeakPolarHBondContact O-CB 3.27Å; K307-D311 VanDerWaalsContact O-CG 3.23Å; K307-D311 PolarHBondContact O-N 3.39Å
308E97.8Very high97.6Very high90 Ų9060.4 Ų60.442%0.42130%0.299SS..Hα-helixtrans-59.7-40.5175.8-72.2-178.7-174.300112.2Y220 V304 L306 W312Y220-E308 WeakPolarHBondContact CE1-OE2 3.33Å; Y220-E308 PolarHBondContact OH-OE2 2.93Å; V304-E308 WeakPolarHBondContact O-CG 3.3Å; V304-E308 PolarHBondContact O-N 3.31Å; L306-E308 PolarHBondContact O-N 3.5Å; E308-W312 WeakPolarHBondContact O-CB 3.32Å; E308-W312 PolarHBondContact O-N 3.28Å
309T98.3Very high97.6Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-67.1-44.5178.2-56.70000111.8F175 G176 F181 I193 A305 L306 K307 W312 F313F175-T309 HydrophobicContact CD2-CG2 4.39Å; G176-T309 WeakPolarHBondContact CA-OG1 3.23Å; F181-T309 HydrophobicContact CE1-CG2 4.45Å; F181-T309 HydrophobicContact CZ-CG2 4.19Å; I193-T309 HydrophobicContact CD1-CG2 3.83Å; A305-T309 WeakPolarHBondContact O-CB 3.22Å; A305-T309 PolarHBondContact O-N 2.71Å; A305-T309 PolarHBondContact O-OG1 3.39Å; L306-T309 WeakPolarHBondContact O-CB 3.41Å; L306-T309 PolarHBondContact O-N 3.02Å; K307-T309 VanDerWaalsContact C-N 3.29Å; K307-T309 PolarHBondContact O-N 3.21Å; T309-W312 PolarHBondContact O-N 3.2Å; T309-F313 WeakPolarHBondContact O-CB 3.48Å; T309-F313 PolarHBondContact O-N 3.32Å
310V98.3Very high97.5Very high1 Ų156.2 Ų56.21%0.00629%0.292CS..Hα-helixtrans-62.3-46.7175.9169.10000110.5I193 A263 M264 L306 K307 W312 F313 V314I193-V310 HydrophobicContact CD1-CG2 3.89Å; I193-V310 HydrophobicContact CG1-CG2 4.02Å; I193-V310 HydrophobicContact CG2-CG2 4.23Å; A263-V310 HydrophobicContact CB-CB 4.25Å; A263-V310 HydrophobicContact CB-CG1 4.46Å; A263-V310 HydrophobicContact CB-CG2 3.96Å; M264-V310 HydrophobicContact CB-CG1 4.26Å; M264-V310 HydrophobicContact CE-CG1 3.74Å; M264-V310 HydrophobicContact SD-CG1 3.86Å; L306-V310 HydrophobicContact CG-CG2 4.48Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 2.94Å; K307-V310 PolarHBondContact O-N 2.9Å; V310-W312 VanDerWaalsContact C-N 3.34Å; V310-W312 PolarHBondContact O-N 3.06Å; V310-F313 PolarHBondContact O-N 2.84Å; V310-V314 HydrophobicContact CG1-CG2 4.36Å; V310-V314 WeakPolarHBondContact O-CG2 3.46Å; V310-V314 PolarHBondContact O-N 3.48Å
311D98.3Very high97.3Very high74 Ų7460.4 Ų60.440%0.39630%0.304SS..Hα-helixtrans-61.8-42.4178-73.1-17.4000111.8K307 K315K307-D311 IonicContact NZ-OD1 3.01Å; K307-D311 PolarHBondContact NZ-OD1 2.88Å; K307-D311 IonicContact NZ-OD2 3.38Å; K307-D311 PolarHBondContact NZ-OD2 3.29Å; K307-D311 WeakPolarHBondContact O-CB 3.27Å; K307-D311 VanDerWaalsContact O-CG 3.23Å; K307-D311 PolarHBondContact O-N 3.39Å; D311-K315 WeakPolarHBondContact O-CB 3.29Å; D311-K315 PolarHBondContact O-N 2.99Å
312W98.3Very high97Very high35 Ų3560.6 Ų60.613%0.13330%0.297CS..Hα-helixtrans-60.9-45.7174.3-177.893000111.2P177 Y178 F181 E308 T309 V310 K315 N316 A320P177-W312 HydrophobicContact CB-CB 4.29Å; P177-W312 HydrophobicContact CB-CD2 3.67Å; P177-W312 HydrophobicContact CB-CE3 4.29Å; P177-W312 HydrophobicContact CB-CG 3.62Å; P177-W312 HydrophobicContact CG-CB 4Å; P177-W312 HydrophobicContact CG-CD2 4.36Å; P177-W312 HydrophobicContact CG-CG 3.85Å; Y178-W312 HydrophobicContact CD1-CH2 4.06Å; Y178-W312 AromaticContact CD1-CZ2 3.46Å; Y178-W312 HydrophobicContact CD1-CZ2 3.46Å; Y178-W312 VanDerWaalsContact CD1-CZ2 3.46Å; Y178-W312 HydrophobicContact CD2-CZ2 4.16Å; Y178-W312 AromaticContact CE1-CZ2 3.62Å; Y178-W312 HydrophobicContact CE1-CZ2 3.62Å; Y178-W312 HydrophobicContact CE2-CZ2 4.3Å; Y178-W312 AromaticContact CE2-NE1 3.95Å; Y178-W312 HydrophobicContact CG-CH2 4.24Å; Y178-W312 AromaticContact CG-CZ2 3.75Å; Y178-W312 HydrophobicContact CG-CZ2 3.75Å; Y178-W312 AromaticContact CZ-NE1 3.91Å; Y178-W312 VanDerWaalsContact N-CZ3 3.34Å; F181-W312 HydrophobicContact CE2-CE3 4.28Å; F181-W312 AromaticContact CE2-CZ3 3.73Å; F181-W312 HydrophobicContact CE2-CZ3 3.73Å; F181-W312 HydrophobicContact CZ-CE3 4.41Å; F181-W312 HydrophobicContact CZ-CZ3 4.31Å; E308-W312 WeakPolarHBondContact O-CB 3.32Å; E308-W312 PolarHBondContact O-N 3.28Å; T309-W312 PolarHBondContact O-N 3.2Å; V310-W312 VanDerWaalsContact C-N 3.34Å; V310-W312 PolarHBondContact O-N 3.06Å; W312-K315 PolarHBondContact O-N 2.81Å; W312-N316 HydrophobicContact CD2-CB 4.39Å; W312-N316 HydrophobicContact CH2-CB 4.31Å; W312-N316 HydrophobicContact CZ2-CB 4.09Å; W312-N316 PolarHBondContact NE1-ND2 3.26Å; W312-N316 VanDerWaalsContact O-CB 3.29Å; W312-N316 WeakPolarHBondContact O-CB 3.26Å; W312-N316 PolarHBondContact O-N 3.46Å; W312-N316 PolarHBondContact O-ND2 2.98Å; W312-A320 HydrophobicContact CH2-CB 4.18Å; W312-A320 HydrophobicContact CZ3-CB 4.02Å
313F98.3Very high97Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-63.2-46.1179.8178.2-107.5000111.9F181 I193 H194 F197 T309 V310 N316 Y317 A320F181-F313 HydrophobicContact CB-CD2 4.07Å; F181-F313 HydrophobicContact CB-CE2 3.5Å; F181-F313 VanDerWaalsContact CB-CE2 3.5Å; F181-F313 HydrophobicContact CB-CZ 4.18Å; F181-F313 HydrophobicContact CD1-CB 4.5Å; F181-F313 AromaticContact CD1-CD2 3.44Å; F181-F313 HydrophobicContact CD1-CD2 3.44Å; F181-F313 VanDerWaalsContact CD1-CD2 3.44Å; F181-F313 AromaticContact CD1-CE2 3.69Å; F181-F313 HydrophobicContact CD1-CE2 3.69Å; F181-F313 AromaticContact CD1-CG 3.94Å; F181-F313 HydrophobicContact CD1-CG 3.94Å; F181-F313 HydrophobicContact CD1-CZ 4.35Å; F181-F313 AromaticContact CD2-CD2 3.73Å; F181-F313 HydrophobicContact CD2-CD2 3.73Å; F181-F313 HydrophobicContact CD2-CE2 4Å; F181-F313 HydrophobicContact CE1-CB 4Å; F181-F313 AromaticContact CE1-CD2 3.74Å; F181-F313 HydrophobicContact CE1-CD2 3.74Å; F181-F313 HydrophobicContact CE1-CE2 4.44Å; F181-F313 AromaticContact CE1-CG 3.94Å; F181-F313 HydrophobicContact CE1-CG 3.94Å; F181-F313 HydrophobicContact CE2-CD2 4.01Å; F181-F313 AromaticContact CG-CD2 3.46Å; F181-F313 HydrophobicContact CG-CD2 3.46Å; F181-F313 VanDerWaalsContact CG-CD2 3.46Å; F181-F313 AromaticContact CG-CE2 3.45Å; F181-F313 HydrophobicContact CG-CE2 3.45Å; F181-F313 VanDerWaalsContact CG-CE2 3.45Å; F181-F313 HydrophobicContact CG-CG 4.4Å; F181-F313 HydrophobicContact CG-CZ 4.37Å; F181-F313 HydrophobicContact CZ-CB 4.17Å; F181-F313 HydrophobicContact CZ-CD2 4.02Å; F181-F313 HydrophobicContact CZ-CG 4.39Å; I193-F313 HydrophobicContact CG2-CB 4.18Å; I193-F313 HydrophobicContact CG2-CD1 3.6Å; I193-F313 HydrophobicContact CG2-CE1 4.19Å; I193-F313 HydrophobicContact CG2-CG 3.98Å; H194-F313 HydrophobicContact CB-CE1 4.3Å; H194-F313 HydrophobicContact CB-CZ 3.87Å; H194-F313 AromaticContact CD2-CZ 3.64Å; H194-F313 AromaticContact CG-CZ 3.74Å; F197-F313 HydrophobicContact CB-CD1 4.48Å; F197-F313 HydrophobicContact CB-CE1 3.81Å; F197-F313 HydrophobicContact CD1-CE1 4.27Å; F197-F313 HydrophobicContact CD2-CE1 4.37Å; F197-F313 AromaticContact CG-CE1 3.91Å; F197-F313 HydrophobicContact CG-CE1 3.91Å; T309-F313 WeakPolarHBondContact O-CB 3.48Å; T309-F313 PolarHBondContact O-N 3.32Å; V310-F313 PolarHBondContact O-N 2.84Å; F313-N316 CarbonylContact O-C 3.52Å; F313-N316 PolarHBondContact O-N 2.96Å; F313-Y317 AromaticContact CE1-CD2 3.76Å; F313-Y317 HydrophobicContact CE1-CD2 3.76Å; F313-Y317 HydrophobicContact CE1-CE2 4.01Å; F313-Y317 HydrophobicContact CE2-CD2 4.01Å; F313-Y317 HydrophobicContact CE2-CE2 4.35Å; F313-Y317 AromaticContact CZ-CD2 3.47Å; F313-Y317 HydrophobicContact CZ-CD2 3.47Å; F313-Y317 VanDerWaalsContact CZ-CD2 3.47Å; F313-Y317 AromaticContact CZ-CE2 3.55Å; F313-Y317 HydrophobicContact CZ-CE2 3.55Å; F313-Y317 WeakPolarHBondContact O-CA 3.44Å; F313-Y317 PolarHBondContact O-N 2.58Å; F313-A320 HydrophobicContact CD2-CB 3.99Å; F313-A320 HydrophobicContact CE2-CB 4.04Å
314V97.9Very high97Very high66 Ų6661.8 Ų61.840%0.430%0.299SS..Hα-helixtrans-61.5-46.8177.3172.40000110.7F197 M264 V310 N316F197-V314 HydrophobicContact CD2-CG2 3.99Å; F197-V314 HydrophobicContact CE2-CG1 4.43Å; F197-V314 HydrophobicContact CE2-CG2 4.14Å; M264-V314 HydrophobicContact CE-CG2 4.49Å; M264-V314 HydrophobicContact SD-CG2 3.76Å; V310-V314 HydrophobicContact CG1-CG2 4.36Å; V310-V314 WeakPolarHBondContact O-CG2 3.46Å; V310-V314 PolarHBondContact O-N 3.48Å; V314-N316 VanDerWaalsContact C-N 3.31Å; V314-N316 PolarHBondContact O-N 2.91Å
315K97.9Very high97Very high177 Ų17761.4 Ų61.477%0.7729%0.292SS*.Hα-helixtrans-66.2-32.5-179.8-177.8178177.8-179.50112.9D311 W312D311-K315 WeakPolarHBondContact O-CB 3.29Å; D311-K315 PolarHBondContact O-N 2.99Å; W312-K315 PolarHBondContact O-N 2.81Å
316N97.9Very high96.9Very high46 Ų4665 Ų6525%0.24631%0.309CS..THydrogen-bonded Turntrans-113.223.9-174.5-59.1-85.9000112.3W312 F313 V314 E318 T319 A320W312-N316 HydrophobicContact CD2-CB 4.39Å; W312-N316 HydrophobicContact CH2-CB 4.31Å; W312-N316 HydrophobicContact CZ2-CB 4.09Å; W312-N316 PolarHBondContact NE1-ND2 3.26Å; W312-N316 VanDerWaalsContact O-CB 3.29Å; W312-N316 WeakPolarHBondContact O-CB 3.26Å; W312-N316 PolarHBondContact O-N 3.46Å; W312-N316 PolarHBondContact O-ND2 2.98Å; F313-N316 CarbonylContact O-C 3.52Å; F313-N316 PolarHBondContact O-N 2.96Å; V314-N316 VanDerWaalsContact C-N 3.31Å; V314-N316 PolarHBondContact O-N 2.91Å; N316-E318 PolarHBondContact O-N 3.09Å; N316-E318 VanDerWaalsContact O-N 3.1Å; N316-T319 PolarHBondContact O-N 2.76Å; N316-T319 PolarHBondContact O-OG1 3.35Å; N316-A320 WeakPolarHBondContact O-CB 3.31Å; N316-A320 PolarHBondContact O-N 2.53Å
317Y96.9Very high96.9Very high46 Ų4669.1 Ų69.118%0.1833%0.328CS..THydrogen-bonded Turntrans-53.1-40.6-172.4-178.3-104.9000112.2H194 F197 F313 T319 K322H194-Y317 AromaticContact CD2-CE2 3.87Å; H194-Y317 AromaticContact NE2-CE2 3.61Å; H194-Y317 AromaticContact NE2-CZ 3.86Å; H194-Y317 PolarHBondContact NE2-OH 3.38Å; F197-Y317 AromaticContact CD1-CD2 3.87Å; F197-Y317 HydrophobicContact CD1-CD2 3.87Å; F197-Y317 AromaticContact CD1-CE2 3.51Å; F197-Y317 HydrophobicContact CD1-CE2 3.51Å; F197-Y317 HydrophobicContact CE1-CD1 4.02Å; F197-Y317 AromaticContact CE1-CD2 3.48Å; F197-Y317 HydrophobicContact CE1-CD2 3.48Å; F197-Y317 VanDerWaalsContact CE1-CD2 3.48Å; F197-Y317 AromaticContact CE1-CE1 3.89Å; F197-Y317 HydrophobicContact CE1-CE1 3.89Å; F197-Y317 AromaticContact CE1-CE2 3.34Å; F197-Y317 HydrophobicContact CE1-CE2 3.34Å; F197-Y317 AromaticContact CE1-CG 3.83Å; F197-Y317 HydrophobicContact CE1-CG 3.83Å; F197-Y317 AromaticContact CE1-CZ 3.56Å; F197-Y317 HydrophobicContact CG-CE2 4.47Å; F197-Y317 HydrophobicContact CZ-CD1 4.24Å; F197-Y317 AromaticContact CZ-CD2 3.87Å; F197-Y317 HydrophobicContact CZ-CD2 3.87Å; F197-Y317 HydrophobicContact CZ-CE2 4.2Å; F197-Y317 AromaticContact CZ-CG 3.9Å; F197-Y317 HydrophobicContact CZ-CG 3.9Å; F313-Y317 AromaticContact CE1-CD2 3.76Å; F313-Y317 HydrophobicContact CE1-CD2 3.76Å; F313-Y317 HydrophobicContact CE1-CE2 4.01Å; F313-Y317 HydrophobicContact CE2-CD2 4.01Å; F313-Y317 HydrophobicContact CE2-CE2 4.35Å; F313-Y317 AromaticContact CZ-CD2 3.47Å; F313-Y317 HydrophobicContact CZ-CD2 3.47Å; F313-Y317 VanDerWaalsContact CZ-CD2 3.47Å; F313-Y317 AromaticContact CZ-CE2 3.55Å; F313-Y317 HydrophobicContact CZ-CE2 3.55Å; F313-Y317 WeakPolarHBondContact O-CA 3.44Å; F313-Y317 PolarHBondContact O-N 2.58Å; Y317-T319 PolarHBondContact O-N 2.88Å; Y317-K322 HydrophobicContact CD2-CD 4.44Å; Y317-K322 HydrophobicContact CE1-CD 4.23Å; Y317-K322 HydrophobicContact CE2-CD 3.92Å; Y317-K322 PolarHBondContact O-NZ 3.48Å
318E96.5Very high96.8Very high153 Ų15368 Ų6872%0.71533%0.325SS*.THydrogen-bonded Turntrans-65.2-35.6-179-65.2-50.4138.100114N316 K322N316-E318 PolarHBondContact O-N 3.09Å; N316-E318 VanDerWaalsContact O-N 3.1Å; E318-K322 PolarHBondContact O-NZ 2.89Å
319T95.4Very high96.7Very high114 Ų11466.4 Ų66.470%0.69932%0.318SS*.THydrogen-bonded Turntrans-102-10.8-176.157.80000113.5N316 Y317N316-T319 PolarHBondContact O-N 2.76Å; N316-T319 PolarHBondContact O-OG1 3.35Å; Y317-T319 PolarHBondContact O-N 2.88Å
320A95.6Very high96.6Very high9 Ų971.5 Ų71.57%0.07434%0.343CS..SBendtrans-62.9145.6174.600000111.2F181 W312 F313 N316 K322F181-A320 HydrophobicContact CD2-CB 4.49Å; W312-A320 HydrophobicContact CH2-CB 4.18Å; W312-A320 HydrophobicContact CZ3-CB 4.02Å; F313-A320 HydrophobicContact CD2-CB 3.99Å; F313-A320 HydrophobicContact CE2-CB 4.04Å; N316-A320 WeakPolarHBondContact O-CB 3.31Å; N316-A320 PolarHBondContact O-N 2.53Å; A320-K322 PolarHBondContact O-N 3.5Å
321R92.8Very high96.4Very high120 Ų12077.4 Ų77.445%0.45337%0.371SS..BIsolated β-bridgetrans-71.2112.1174.5-64.1164.661.7-156.60.2107.9F181F181-R321 WeakPolarHBondContact CA-O 3.47Å; F181-R321 WeakPolarHBondContact CB-O 3.09Å; F181-R321 PolarHBondContact N-O 3.38Å
322K91.6Very high96.3Very high89 Ų8977.7 Ų77.739%0.38737%0.369SS..  trans-142.20-173.465-179.5-174.2-94.30111.6N182 Y317 E318 A320N182-K322 WeakPolarHBondContact CA-OXT 3.33Å; N182-K322 WeakPolarHBondContact CB-OXT 3.29Å; N182-K322 PolarHBondContact ND2-OXT 2.96Å; Y317-K322 HydrophobicContact CD2-CD 4.44Å; Y317-K322 HydrophobicContact CE1-CD 4.23Å; Y317-K322 HydrophobicContact CE2-CD 3.92Å; Y317-K322 PolarHBondContact O-NZ 3.48Å; E318-K322 PolarHBondContact O-NZ 2.89Å; A320-K322 PolarHBondContact O-N 3.5Å

Retrieved 322 of 322 residues in 1015.2 ms (Link to these results)

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