A0A5K4F308_SCHMA Loading...

DNK domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F308, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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
1M95.7Very high96.7Very high17 Ų1710 Ų108%0.0847%0.072CC..  0145.10-54.5171.4-40.200108.7Q69 L80 S83 V124 L126 I127 V128M1-Q69 PolarHBondContact SD-NE2 2.98Å; M1-L80 CarbonylContact C-O 3.59Å; M1-L80 HydrophobicContact CG-CB 4.47Å; M1-L80 HydrophobicContact CG-CD1 4.12Å; M1-S83 WeakPolarHBondContact SD-CB 3.41Å; M1-V124 HydrophobicContact CE-CB 4.33Å; M1-V124 HydrophobicContact CE-CG1 3.49Å; M1-V124 VanDerWaalsContact CE-CG1 3.49Å; M1-V124 HydrophobicContact CE-CG2 3.84Å; M1-V124 HydrophobicContact CG-CG1 4.03Å; M1-V124 HydrophobicContact CG-CG2 4.33Å; M1-V124 HydrophobicContact SD-CB 4.22Å; M1-V124 HydrophobicContact SD-CG1 3.77Å; M1-V124 HydrophobicContact SD-CG2 3.35Å; M1-V124 WeakPolarHBondContact SD-CG2 3.43Å; M1-L126 PolarHBondContact N-O 3.46Å; M1-I127 HydrophobicContact CE-CD1 4.25Å; M1-I127 HydrophobicContact CE-CG1 3.93Å; M1-V128 PolarHBondContact O-N 2.84Å
2V97.8Very high96.6Very high1 Ų116.1 Ų16.11%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-109.6112.5177-174.20000108.1K10 F13 L14 L79 L80 R82 V128 L130V2-K10 HydrophobicContact CG1-CB 4.3Å; V2-K10 HydrophobicContact CG1-CG 4.08Å; V2-K10 WeakPolarHBondContact O-CD 3.39Å; V2-F13 HydrophobicContact CG1-CD1 3.91Å; V2-F13 HydrophobicContact CG1-CE1 4.26Å; V2-F13 HydrophobicContact CG2-CD1 4Å; V2-F13 HydrophobicContact CG2-CE1 3.8Å; V2-L14 HydrophobicContact CB-CD2 4.28Å; V2-L14 HydrophobicContact CG2-CD2 3.61Å; V2-L14 HydrophobicContact CG2-CG 4.29Å; V2-L79 HydrophobicContact CG2-CD2 4.34Å; V2-L80 PolarHBondContact N-O 3.3Å; V2-R82 PolarHBondContact O-N 3.34Å; V2-V128 CarbonylContact C-O 3.55Å; V2-V128 WeakPolarHBondContact CA-O 3.41Å; V2-V128 HydrophobicContact CG2-CB 4.34Å; V2-L130 HydrophobicContact CG1-CD1 3.71Å; V2-L130 HydrophobicContact CG1-CG 3.92Å
3E98Very high96.6Very high0 Ų018.1 Ų18.10%012%0.115CC..EExtended strand (participates in β ladder)trans-110.7158.5-175.5-59.9-62.4169.500111R82 S83 S86 I127 V128 L130 W167 L168E3-R82 WeakPolarHBondContact OE2-CA 3.44Å; E3-S83 VanDerWaalsContact OE1-CB 3.26Å; E3-S83 WeakPolarHBondContact OE1-CB 3.37Å; E3-S83 PolarHBondContact OE1-N 3.3Å; E3-S83 PolarHBondContact OE1-OG 3.47Å; E3-S86 WeakPolarHBondContact OE2-CB 3.18Å; E3-S86 PolarHBondContact OE2-OG 2.8Å; E3-I127 HydrophobicContact CB-CG2 4.46Å; E3-I127 HydrophobicContact CG-CG2 3.9Å; E3-V128 PolarHBondContact N-O 2.77Å; E3-L130 PolarHBondContact O-N 3.06Å; E3-W167 HydrophobicContact CG-CH2 4.02Å; E3-W167 HydrophobicContact CG-CZ3 4.07Å; E3-L168 HydrophobicContact CB-CD1 3.97Å
4G97.6Very high96.7Very high0 Ų016.8 Ų16.80%011%0.106CC..  trans151.8168.6177.900000113.2K10 R82 H164G4-K10 PolarHBondContact O-NZ 2.63Å; G4-R82 PolarHBondContact O-NH1 2.89Å; G4-R82 PolarHBondContact O-NH2 3.14Å; G4-H164 PolarHBondContact O-NE2 2.84Å
5N97.6Very high96.6Very high3 Ų324.5 Ų24.52%0.01613%0.133CC..  trans-63.1164.8-176.5-151.2-13.9000112.5G7 C8 K10 L157 L160N5-G7 PolarHBondContact O-N 2.99Å; N5-C8 HydrophobicContact CB-CB 4.44Å; N5-C8 WeakPolarHBondContact O-CB 3.41Å; N5-C8 PolarHBondContact O-N 2.81Å; N5-C8 PolarHBondContact O-SG 2.86Å; N5-K10 PolarHBondContact O-NZ 2.72Å; N5-L157 PolarHBondContact ND2-O 3.34Å; N5-L160 WeakPolarHBondContact OD1-CB 3.48Å
6I96.5Very high96.6Very high9 Ų931.6 Ų31.65%0.04616%0.158CC..THydrogen-bonded Turntrans-59.2135.2168.8-56.3177000107.8C8 Y47 F91 C137 L141 Y156 L157 L160I6-C8 VanDerWaalsContact C-N 3.27Å; I6-C8 PolarHBondContact O-N 2.84Å; I6-Y47 WeakPolarHBondContact CD1-OH 3.38Å; I6-F91 HydrophobicContact CD1-CE1 4.41Å; I6-C137 VanDerWaalsContact O-CB 3.23Å; I6-C137 WeakPolarHBondContact O-CB 3.49Å; I6-L141 HydrophobicContact CG2-CD1 3.68Å; I6-Y156 HydrophobicContact CD1-CE1 3.87Å; I6-L157 HydrophobicContact CB-CD2 3.85Å; I6-L157 HydrophobicContact CD1-CD2 4.41Å; I6-L157 HydrophobicContact CG1-CD2 4.49Å; I6-L160 HydrophobicContact CD1-CD1 3.85Å; I6-L160 HydrophobicContact CG1-CD1 4.11Å
7G95.4Very high96.5Very high8 Ų833.5 Ų33.58%0.08217%0.165CC..THydrogen-bonded Turntrans76.9-4-177.800000116.2N5 G9 R140N5-G7 PolarHBondContact O-N 2.99Å; G7-G9 PolarHBondContact O-N 3.22Å; G7-G9 VanDerWaalsContact O-N 3.12Å; G7-R140 VanDerWaalsContact O-CB 3.31Å; G7-R140 WeakPolarHBondContact O-CB 3.42Å; G7-R140 WeakPolarHBondContact O-CD 3.48Å
8C96.9Very high96.5Very high4 Ų437.1 Ų37.13%0.02718%0.182CC..SBendtrans-70.6-10.1-176.876.80000115.3N5 I6 A132 R140N5-C8 HydrophobicContact CB-CB 4.44Å; N5-C8 WeakPolarHBondContact O-CB 3.41Å; N5-C8 PolarHBondContact O-N 2.81Å; N5-C8 PolarHBondContact O-SG 2.86Å; I6-C8 VanDerWaalsContact C-N 3.27Å; I6-C8 PolarHBondContact O-N 2.84Å; C8-A132 HydrophobicContact CB-CB 4.03Å; C8-R140 PolarHBondContact O-NH1 3.32Å
9G95.9Very high96.4Very high26 Ų2643.7 Ų43.727%0.26821%0.212SC..SBendtrans106.311.4175.400000116.2G7 S11 T12 F13G7-G9 PolarHBondContact O-N 3.22Å; G7-G9 VanDerWaalsContact O-N 3.12Å; G9-S11 PolarHBondContact O-N 2.87Å; G9-T12 WeakPolarHBondContact O-CB 3.33Å; G9-T12 PolarHBondContact O-N 3.29Å; G9-F13 PolarHBondContact O-N 2.92Å
10K97.2Very high96.4Very high10 Ų1046.3 Ų46.34%0.04323%0.226CC..Hα-helixtrans-47.6-54.1177.2-63.7-175.1-66.7-70.40113.8V2 G4 N5 T12 F13 L14 E81 R82 L130V2-K10 HydrophobicContact CG1-CB 4.3Å; V2-K10 HydrophobicContact CG1-CG 4.08Å; V2-K10 WeakPolarHBondContact O-CD 3.39Å; G4-K10 PolarHBondContact O-NZ 2.63Å; N5-K10 PolarHBondContact O-NZ 2.72Å; K10-T12 PolarHBondContact O-N 3.22Å; K10-F13 WeakPolarHBondContact O-CB 3.45Å; K10-F13 PolarHBondContact O-N 3Å; K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.28Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 3.13Å; K10-E81 HydrophobicContact CB-CG 3.99Å; K10-E81 WeakPolarHBondContact CB-OE1 3.31Å; K10-E81 HydrophobicContact CD-CG 4.2Å; K10-R82 HydrophobicContact CD-CG 4.39Å; K10-R82 VanDerWaalsContact NZ-NH2 3.13Å; K10-L130 HydrophobicContact CB-CD1 4.43Å; K10-L130 HydrophobicContact CG-CD1 4.12Å
11S95.5Very high96.4Very high32 Ų3245.7 Ų45.722%0.22423%0.227CC..Hα-helixtrans-64.3-30.3-177.6-28.90000112.3G9 R15 E81G9-S11 PolarHBondContact O-N 2.87Å; S11-R15 WeakPolarHBondContact O-CB 3.45Å; S11-R15 VanDerWaalsContact O-CG 3.29Å; S11-R15 WeakPolarHBondContact O-CG 3.46Å; S11-R15 PolarHBondContact O-N 3.08Å; S11-R15 VanDerWaalsContact O-N 3.1Å; S11-R15 PolarHBondContact O-NE 3.34Å; S11-E81 PolarHBondContact N-OE1 2.72Å; S11-E81 PolarHBondContact OG-OE1 2.98Å
12T95.6Very high96.3Very high83 Ų8350.2 Ų50.251%0.50926%0.258SS..Hα-helixtrans-71.8-46.4174.2-61.70000111.4G9 K10 L14 R15 Y16G9-T12 WeakPolarHBondContact O-CB 3.33Å; G9-T12 PolarHBondContact O-N 3.29Å; K10-T12 PolarHBondContact O-N 3.22Å; T12-L14 VanDerWaalsContact C-N 3.32Å; T12-L14 PolarHBondContact O-N 3.42Å; T12-R15 PolarHBondContact O-N 3.28Å; T12-R15 PolarHBondContact OG1-NH2 3.09Å; T12-R15 VanDerWaalsContact OG1-NH2 3.14Å; T12-Y16 PolarHBondContact O-N 3.34Å; T12-Y16 VanDerWaalsContact O-N 3.09Å
13F96.6Very high96.3Very high42 Ų4256.7 Ų56.718%0.18429%0.286CS..Hα-helixtrans-55.9-47.1173.8175.7-88.9000111.6V2 G9 K10 Y16 F17 L79 V128 L130V2-F13 HydrophobicContact CG1-CD1 3.91Å; V2-F13 HydrophobicContact CG1-CE1 4.26Å; V2-F13 HydrophobicContact CG2-CD1 4Å; V2-F13 HydrophobicContact CG2-CE1 3.8Å; G9-F13 PolarHBondContact O-N 2.92Å; K10-F13 WeakPolarHBondContact O-CB 3.45Å; K10-F13 PolarHBondContact O-N 3Å; F13-Y16 WeakPolarHBondContact O-CB 3.3Å; F13-Y16 PolarHBondContact O-N 2.89Å; F13-F17 HydrophobicContact CD1-CD2 4.1Å; F13-F17 HydrophobicContact CD1-CE2 4.44Å; F13-F17 HydrophobicContact CD2-CD2 4.3Å; F13-F17 HydrophobicContact CD2-CE2 4.06Å; F13-F17 AromaticContact CE1-CD2 3.69Å; F13-F17 HydrophobicContact CE1-CD2 3.69Å; F13-F17 AromaticContact CE1-CE2 3.78Å; F13-F17 HydrophobicContact CE1-CE2 3.78Å; F13-F17 HydrophobicContact CE1-CG 4.44Å; F13-F17 AromaticContact CE2-CD2 3.93Å; F13-F17 HydrophobicContact CE2-CD2 3.93Å; F13-F17 AromaticContact CE2-CE2 3.34Å; F13-F17 HydrophobicContact CE2-CE2 3.34Å; F13-F17 HydrophobicContact CE2-CZ 4.23Å; F13-F17 HydrophobicContact CG-CD2 4.38Å; F13-F17 AromaticContact CZ-CD2 3.6Å; F13-F17 HydrophobicContact CZ-CD2 3.6Å; F13-F17 AromaticContact CZ-CE2 3.16Å; F13-F17 HydrophobicContact CZ-CE2 3.16Å; F13-F17 AromaticContact CZ-CZ 3.83Å; F13-F17 HydrophobicContact CZ-CZ 3.83Å; F13-F17 WeakPolarHBondContact O-CD2 3.42Å; F13-F17 PolarHBondContact O-N 3.42Å; F13-F17 VanDerWaalsContact O-N 3.08Å; F13-L79 HydrophobicContact CE1-CD2 4.12Å; F13-V128 HydrophobicContact CE1-CG1 4.2Å; F13-V128 HydrophobicContact CE2-CG1 4.46Å; F13-V128 HydrophobicContact CZ-CG1 3.87Å; F13-L130 HydrophobicContact CB-CD1 3.63Å; F13-L130 HydrophobicContact CD1-CD1 4.38Å; F13-L130 HydrophobicContact CD2-CD1 4.29Å; F13-L130 HydrophobicContact CD2-CD2 3.92Å; F13-L130 HydrophobicContact CE2-CD2 4.15Å; F13-L130 HydrophobicContact CG-CD1 3.87Å; F13-L130 HydrophobicContact CG-CD2 4.26Å
14L97Very high96.2Very high0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-63.5-43.2179.7-74171.5000112.6V2 K10 T12 Y16 F17 Q18 V26 L79 E81V2-L14 HydrophobicContact CB-CD2 4.28Å; V2-L14 HydrophobicContact CG2-CD2 3.61Å; V2-L14 HydrophobicContact CG2-CG 4.29Å; K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.28Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 3.13Å; T12-L14 VanDerWaalsContact C-N 3.32Å; T12-L14 PolarHBondContact O-N 3.42Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.37Å; L14-F17 PolarHBondContact O-N 2.77Å; L14-Q18 PolarHBondContact O-N 3.05Å; L14-V26 HydrophobicContact CB-CG1 3.82Å; L14-V26 HydrophobicContact CD2-CG1 4.19Å; L14-V26 HydrophobicContact CG-CG1 4.42Å; L14-L79 HydrophobicContact CD2-CB 3.41Å; L14-L79 VanDerWaalsContact CD2-CB 3.41Å; L14-L79 HydrophobicContact CD2-CD2 4.09Å; L14-L79 HydrophobicContact CD2-CG 4.38Å; L14-E81 HydrophobicContact CD1-CB 3.39Å; L14-E81 HydrophobicContact CD1-CG 3.65Å
15R96.3Very high96.2Very high133 Ų13358.5 Ų58.550%0.50230%0.295SS..Hα-helixtrans-60.3-40.7175.4-78.5-176.6-64157.2-0.1112.1S11 T12 Q18 Q19S11-R15 WeakPolarHBondContact O-CB 3.45Å; S11-R15 VanDerWaalsContact O-CG 3.29Å; S11-R15 WeakPolarHBondContact O-CG 3.46Å; S11-R15 PolarHBondContact O-N 3.08Å; S11-R15 VanDerWaalsContact O-N 3.1Å; S11-R15 PolarHBondContact O-NE 3.34Å; T12-R15 PolarHBondContact O-N 3.28Å; T12-R15 PolarHBondContact OG1-NH2 3.09Å; T12-R15 VanDerWaalsContact OG1-NH2 3.14Å; R15-Q18 WeakPolarHBondContact O-CB 3.26Å; R15-Q18 PolarHBondContact O-N 3.43Å; R15-Q19 WeakPolarHBondContact O-CG 3.28Å; R15-Q19 PolarHBondContact O-N 3.32Å
16Y96.2Very high96.2Very high137 Ų13759.5 Ų59.554%0.53730%0.301SS..Hα-helixtrans-60.5-50.2175.2174.4-105.2000111.3T12 F13 L14 Q18 Q19 L20T12-Y16 PolarHBondContact O-N 3.34Å; T12-Y16 VanDerWaalsContact O-N 3.09Å; F13-Y16 WeakPolarHBondContact O-CB 3.3Å; F13-Y16 PolarHBondContact O-N 2.89Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.37Å; Y16-Q18 VanDerWaalsContact C-N 3.3Å; Y16-Q18 PolarHBondContact O-N 3.09Å; Y16-Q19 PolarHBondContact O-N 3.31Å; Y16-Q19 VanDerWaalsContact O-N 3.1Å; Y16-L20 HydrophobicContact CD1-CD1 3.95Å; Y16-L20 HydrophobicContact CD1-CG 4.28Å; Y16-L20 HydrophobicContact CE1-CD1 3.44Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.44Å; Y16-L20 HydrophobicContact CE1-CD2 4.21Å; Y16-L20 HydrophobicContact CE1-CG 3.94Å; Y16-L20 HydrophobicContact CE2-CD2 4.11Å; Y16-L20 HydrophobicContact CE2-CG 4.41Å; Y16-L20 PolarHBondContact O-N 3.31Å; Y16-L20 VanDerWaalsContact O-N 3.14Å
17F95.5Very high96.1Very high64 Ų6460.2 Ų60.228%0.28130%0.304SS..Hα-helixtrans-63.2-34.4177.6-89.9-95.2000113.4F13 L14 Q19 L20 N24 L79F13-F17 HydrophobicContact CD1-CD2 4.1Å; F13-F17 HydrophobicContact CD1-CE2 4.44Å; F13-F17 HydrophobicContact CD2-CD2 4.3Å; F13-F17 HydrophobicContact CD2-CE2 4.06Å; F13-F17 AromaticContact CE1-CD2 3.69Å; F13-F17 HydrophobicContact CE1-CD2 3.69Å; F13-F17 AromaticContact CE1-CE2 3.78Å; F13-F17 HydrophobicContact CE1-CE2 3.78Å; F13-F17 HydrophobicContact CE1-CG 4.44Å; F13-F17 AromaticContact CE2-CD2 3.93Å; F13-F17 HydrophobicContact CE2-CD2 3.93Å; F13-F17 AromaticContact CE2-CE2 3.34Å; F13-F17 HydrophobicContact CE2-CE2 3.34Å; F13-F17 HydrophobicContact CE2-CZ 4.23Å; F13-F17 HydrophobicContact CG-CD2 4.38Å; F13-F17 AromaticContact CZ-CD2 3.6Å; F13-F17 HydrophobicContact CZ-CD2 3.6Å; F13-F17 AromaticContact CZ-CE2 3.16Å; F13-F17 HydrophobicContact CZ-CE2 3.16Å; F13-F17 AromaticContact CZ-CZ 3.83Å; F13-F17 HydrophobicContact CZ-CZ 3.83Å; F13-F17 WeakPolarHBondContact O-CD2 3.42Å; F13-F17 PolarHBondContact O-N 3.42Å; F13-F17 VanDerWaalsContact O-N 3.08Å; L14-F17 PolarHBondContact O-N 2.77Å; F17-Q19 PolarHBondContact O-N 3.27Å; F17-L20 HydrophobicContact CD1-CD1 4.25Å; F17-L20 HydrophobicContact CE1-CD1 4.35Å; F17-L20 HydrophobicContact CG-CD1 4.43Å; F17-L20 PolarHBondContact O-N 3.1Å; F17-N24 PolarHBondContact O-ND2 3.14Å; F17-L79 HydrophobicContact CB-CD1 4.32Å; F17-L79 HydrophobicContact CB-CD2 3.97Å; F17-L79 HydrophobicContact CD1-CD2 4.1Å; F17-L79 HydrophobicContact CG-CD2 3.96Å
18Q95.4Very high96.1Very high99 Ų9962.6 Ų62.646%0.46331%0.313SS..Hα-helixtrans-58.6-36.8175-164.7176.510.600112.1L14 R15 Y16 V26L14-Q18 PolarHBondContact O-N 3.05Å; R15-Q18 WeakPolarHBondContact O-CB 3.26Å; R15-Q18 PolarHBondContact O-N 3.43Å; Y16-Q18 VanDerWaalsContact C-N 3.3Å; Y16-Q18 PolarHBondContact O-N 3.09Å; Q18-V26 HydrophobicContact CB-CB 4.31Å; Q18-V26 HydrophobicContact CB-CG2 3.76Å; Q18-V26 HydrophobicContact CG-CB 4.28Å; Q18-V26 HydrophobicContact CG-CG2 4.11Å
19Q95.8Very high96Very high162 Ų16264.1 Ų64.176%0.75732%0.32SS*.Hα-helixtrans-81.7-27.5-178.6-65.9172.72.300113R15 Y16 F17 S21R15-Q19 WeakPolarHBondContact O-CG 3.28Å; R15-Q19 PolarHBondContact O-N 3.32Å; Y16-Q19 PolarHBondContact O-N 3.31Å; Y16-Q19 VanDerWaalsContact O-N 3.1Å; F17-Q19 PolarHBondContact O-N 3.27Å; Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 2.8Å
20L95.6Very high95.9Very high95 Ų9563 Ų6350%0.49731%0.308SS..Hα-helixtrans-63.7-31.1-177.9-77.7-175.8000114.3Y16 F17Y16-L20 HydrophobicContact CD1-CD1 3.95Å; Y16-L20 HydrophobicContact CD1-CG 4.28Å; Y16-L20 HydrophobicContact CE1-CD1 3.44Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.44Å; Y16-L20 HydrophobicContact CE1-CD2 4.21Å; Y16-L20 HydrophobicContact CE1-CG 3.94Å; Y16-L20 HydrophobicContact CE2-CD2 4.11Å; Y16-L20 HydrophobicContact CE2-CG 4.41Å; Y16-L20 PolarHBondContact O-N 3.31Å; Y16-L20 VanDerWaalsContact O-N 3.14Å; F17-L20 HydrophobicContact CD1-CD1 4.25Å; F17-L20 HydrophobicContact CE1-CD1 4.35Å; F17-L20 HydrophobicContact CG-CD1 4.43Å; F17-L20 PolarHBondContact O-N 3.1Å
21S96.1Very high95.7Very high34 Ų3463.9 Ų63.924%0.23831%0.313CS..  trans-155.6135.8-178.8-169.80000112.4Q19 K23 N24Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 2.8Å; S21-K23 PolarHBondContact O-N 3.31Å; S21-K23 VanDerWaalsContact O-N 3.09Å; S21-K23 PolarHBondContact OG-N 2.69Å; S21-N24 WeakPolarHBondContact O-CB 3.37Å; S21-N24 PolarHBondContact O-N 3.46Å
22P95Very high95.7Very high113 Ų11369.7 Ų69.773%0.73433%0.331SS*.THydrogen-bonded Turntrans-64.2-13.9171.528.6-35.6000112.7N24 K75P22-N24 PolarHBondContact O-N 3.34Å; P22-K75 VanDerWaalsContact O-CD 3.3Å; P22-K75 WeakPolarHBondContact O-CD 3.46Å; P22-K75 VanDerWaalsContact O-CE 3.28Å; P22-K75 WeakPolarHBondContact O-CE 3.39Å; P22-K75 PolarHBondContact O-NZ 3.11Å
23K96.5Very high95.7Very high136 Ų13668.6 Ų68.659%0.59132%0.322SS*.THydrogen-bonded Turntrans-75.9-7.2174.3-62.5-175.3178.5-178.80113.7S21 K75 V77S21-K23 PolarHBondContact O-N 3.31Å; S21-K23 VanDerWaalsContact O-N 3.09Å; S21-K23 PolarHBondContact OG-N 2.69Å; K23-K75 VanDerWaalsContact O-CB 3.26Å; K23-K75 WeakPolarHBondContact O-CB 3.38Å; K23-V77 PolarHBondContact O-N 2.82Å
24N97Very high95.7Very high17 Ų1766.7 Ų66.79%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-91.2127.9178.8-64.1-19.5000110.6F17 S21 P22 K75 V77 L79F17-N24 PolarHBondContact O-ND2 3.14Å; S21-N24 WeakPolarHBondContact O-CB 3.37Å; S21-N24 PolarHBondContact O-N 3.46Å; P22-N24 PolarHBondContact O-N 3.34Å; N24-K75 VanDerWaalsContact C-CD 3.45Å; N24-K75 WeakPolarHBondContact O-CD 3.47Å; N24-K75 PolarHBondContact O-NZ 2.95Å; N24-V77 CarbonylContact C-O 3.55Å; N24-V77 WeakPolarHBondContact CA-O 3.47Å; N24-V77 WeakPolarHBondContact OD1-CB 3.41Å; N24-L79 HydrophobicContact CB-CD1 4.19Å
25E96.8Very high95.6Very high22 Ų2269.4 Ų69.410%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-100.2128.8164.2-179.9178.3-15700107.9M27 P73 T74 K75 V77 R78 L79E25-M27 WeakPolarHBondContact OE1-CE 3.45Å; E25-P73 WeakPolarHBondContact OE2-CA 3.49Å; E25-T74 PolarHBondContact OE1-OG1 3.49Å; E25-T74 PolarHBondContact OE2-N 3.11Å; E25-T74 PolarHBondContact OE2-OG1 3.17Å; E25-K75 HydrophobicContact CB-CB 4.02Å; E25-K75 HydrophobicContact CB-CD 4.01Å; E25-K75 HydrophobicContact CB-CG 4.17Å; E25-V77 PolarHBondContact N-O 2.67Å; E25-R78 HydrophobicContact CB-CB 4.36Å; E25-R78 HydrophobicContact CB-CG 4.45Å; E25-R78 VanDerWaalsContact CD-NH2 3.25Å; E25-R78 HydrophobicContact CG-CG 4.34Å; E25-R78 CarbonylContact O-C 3.58Å; E25-R78 VanDerWaalsContact O-CA 3.31Å; E25-R78 WeakPolarHBondContact O-CA 3.18Å; E25-R78 IonicContact OE1-CZ 3.17Å; E25-R78 IonicContact OE1-NE 3.55Å; E25-R78 IonicContact OE1-NH2 3.49Å; E25-R78 PolarHBondContact OE1-NH2 3.46Å; E25-R78 IonicContact OE2-CZ 3.15Å; E25-R78 VanDerWaalsContact OE2-CZ 3.24Å; E25-R78 IonicContact OE2-NE 3.92Å; E25-R78 PolarHBondContact OE2-NE 3.21Å; E25-R78 IonicContact OE2-NH2 3.11Å; E25-R78 PolarHBondContact OE2-NH2 2.78Å; E25-L79 PolarHBondContact O-N 3.17Å
26V96.8Very high95.6Very high23 Ų2368.1 Ų68.114%0.13933%0.328CS..EExtended strand (participates in β ladder)trans-120.3129179.9170.50000109L14 Q18 L79L14-V26 HydrophobicContact CB-CG1 3.82Å; L14-V26 HydrophobicContact CD2-CG1 4.19Å; L14-V26 HydrophobicContact CG-CG1 4.42Å; Q18-V26 HydrophobicContact CB-CB 4.31Å; Q18-V26 HydrophobicContact CB-CG2 3.76Å; Q18-V26 HydrophobicContact CG-CB 4.28Å; Q18-V26 HydrophobicContact CG-CG2 4.11Å; V26-L79 WeakPolarHBondContact CA-O 3.35Å; V26-L79 HydrophobicContact CG2-CB 4.39Å; V26-L79 HydrophobicContact CG2-CD1 4.12Å
27M95.9Very high95.5Very high25 Ų2561.8 Ų61.812%0.12330%0.304CS..EExtended strand (participates in β ladder)trans-12096.8177-72.4-166.5174.300109.4E25 R68 R78 L79 L80 E81E25-M27 WeakPolarHBondContact OE1-CE 3.45Å; M27-R68 VanDerWaalsContact CA-NH2 3.35Å; M27-R68 VanDerWaalsContact CB-NH2 3.32Å; M27-R68 HydrophobicContact SD-CB 4.23Å; M27-R78 VanDerWaalsContact CE-NH2 3.27Å; M27-L79 PolarHBondContact N-O 2.88Å; M27-L80 HydrophobicContact CB-CD2 3.66Å; M27-L80 HydrophobicContact CG-CD2 4.04Å; M27-L80 HydrophobicContact SD-CD2 3.58Å; M27-L80 VanDerWaalsContact SD-CD2 3.58Å; M27-E81 PolarHBondContact O-N 2.73Å
28H95.7Very high95.4Very high57 Ų5769.2 Ų69.226%0.26433%0.33SS..  trans-63.8161.5172.7-71.5-68.1000112.7R68 E81H28-R68 VanDerWaalsContact O-CZ 3.3Å; H28-R68 PolarHBondContact O-NE 3.25Å; H28-R68 PolarHBondContact O-NH2 2.91Å; H28-E81 WeakPolarHBondContact CA-OE2 3.45Å; H28-E81 IonicContact CG-OE2 3.7Å; H28-E81 IonicContact ND1-OE2 3.91Å; H28-E81 PolarHBondContact ND1-OE2 2.85Å
29E93.7Very high95.3Very high37 Ų3767.7 Ų67.717%0.17334%0.341CS..  trans-61.9125.1173.4-165.9166.9173.700108.1L31 W34 E81 R82E29-L31 HydrophobicContact CG-CD2 4.23Å; E29-L31 PolarHBondContact O-N 3.3Å; E29-W34 HydrophobicContact CG-CH2 3.23Å; E29-W34 HydrophobicContact CG-CZ2 4.05Å; E29-W34 HydrophobicContact CG-CZ3 3.57Å; E29-W34 WeakPolarHBondContact OE1-CH2 3.24Å; E29-W34 WeakPolarHBondContact OE1-CZ3 3.42Å; E29-E81 HydrophobicContact CB-CB 4.24Å; E29-E81 HydrophobicContact CB-CG 4.1Å; E29-E81 PolarHBondContact N-OE2 2.64Å; E29-R82 WeakPolarHBondContact OE1-CD 3.4Å; E29-R82 IonicContact OE1-NE 2.69Å; E29-R82 PolarHBondContact OE1-NE 2.87Å; E29-R82 WeakPolarHBondContact OE2-CD 3.19Å; E29-R82 IonicContact OE2-NE 3.49Å; E29-R82 PolarHBondContact OE2-NE 3.29Å; E29-R82 VanDerWaalsContact OE2-NE 3.11Å
30P94.5Very high95.4Very high1 Ų166.4 Ų66.41%0.00633%0.33CS..  trans-82.156.4-168.736.7-39.3000111.4Y32 L33 W34P30-Y32 HydrophobicContact CB-CD1 4.35Å; P30-Y32 HydrophobicContact CB-CE1 3.81Å; P30-Y32 PolarHBondContact O-N 2.97Å; P30-L33 HydrophobicContact CB-CB 4.4Å; P30-L33 HydrophobicContact CB-CD1 3.83Å; P30-L33 HydrophobicContact CB-CG 4.11Å; P30-L33 HydrophobicContact CG-CD1 4.34Å; P30-L33 WeakPolarHBondContact O-CB 3.34Å; P30-L33 PolarHBondContact O-N 2.94Å; P30-W34 HydrophobicContact CG-CZ2 3.99Å
31L93.1Very high95.4Very high29 Ų2963.8 Ų63.815%0.15232%0.316CS..Hα-helixtrans-52.2-33.4-175.8-64.1174.4000112.7E29 L33 W34 K35 F43E29-L31 HydrophobicContact CG-CD2 4.23Å; E29-L31 PolarHBondContact O-N 3.3Å; L31-L33 VanDerWaalsContact C-N 3.27Å; L31-L33 PolarHBondContact O-N 2.83Å; L31-W34 HydrophobicContact CD2-CE3 3.62Å; L31-W34 HydrophobicContact CD2-CZ3 3.73Å; L31-W34 CarbonylContact O-C 3.54Å; L31-W34 WeakPolarHBondContact O-CA 3.48Å; L31-W34 PolarHBondContact O-N 3.44Å; L31-K35 WeakPolarHBondContact O-CG 3.3Å; L31-K35 PolarHBondContact O-N 2.99Å; L31-F43 HydrophobicContact CD2-CD2 4.05Å; L31-F43 HydrophobicContact CD2-CE2 3.84Å
32Y94.6Very high95.5Very high154 Ų15462.6 Ų62.660%0.60431%0.308SS*.Hα-helixtrans-59.4-34.3176.170.5-84.4000113.1P30 W34 D36P30-Y32 HydrophobicContact CB-CD1 4.35Å; P30-Y32 HydrophobicContact CB-CE1 3.81Å; P30-Y32 PolarHBondContact O-N 2.97Å; Y32-W34 PolarHBondContact O-N 3.18Å; Y32-D36 PolarHBondContact O-N 3.35Å; Y32-D36 VanDerWaalsContact O-N 3.16Å
33L96.1Very high95.5Very high60 Ų6057.6 Ų57.631%0.31427%0.274SS..Hα-helixtrans-73.4-17174.9-63.7-179.2000112.9P30 L31 Q60 T64P30-L33 HydrophobicContact CB-CB 4.4Å; P30-L33 HydrophobicContact CB-CD1 3.83Å; P30-L33 HydrophobicContact CB-CG 4.11Å; P30-L33 HydrophobicContact CG-CD1 4.34Å; P30-L33 WeakPolarHBondContact O-CB 3.34Å; P30-L33 PolarHBondContact O-N 2.94Å; L31-L33 VanDerWaalsContact C-N 3.27Å; L31-L33 PolarHBondContact O-N 2.83Å; L33-Q60 PolarHBondContact O-NE2 3.45Å; L33-T64 HydrophobicContact CB-CG2 4.19Å; L33-T64 HydrophobicContact CD1-CG2 3.83Å
34W96.4Very high95.4Very high2 Ų255.3 Ų55.31%0.00827%0.266CS..Hα-helixtrans-99.2-28.7-178.9-51.5-16.3000111.4E29 P30 L31 Y32 D36 L42 F43 F57 V61 T64 L65E29-W34 HydrophobicContact CG-CH2 3.23Å; E29-W34 HydrophobicContact CG-CZ2 4.05Å; E29-W34 HydrophobicContact CG-CZ3 3.57Å; E29-W34 WeakPolarHBondContact OE1-CH2 3.24Å; E29-W34 WeakPolarHBondContact OE1-CZ3 3.42Å; P30-W34 HydrophobicContact CG-CZ2 3.99Å; L31-W34 HydrophobicContact CD2-CE3 3.62Å; L31-W34 HydrophobicContact CD2-CZ3 3.73Å; L31-W34 CarbonylContact O-C 3.54Å; L31-W34 WeakPolarHBondContact O-CA 3.48Å; L31-W34 PolarHBondContact O-N 3.44Å; Y32-W34 PolarHBondContact O-N 3.18Å; W34-D36 VanDerWaalsContact C-N 3.34Å; W34-L42 PolarHBondContact O-N 3.31Å; W34-F43 HydrophobicContact CB-CB 4.28Å; W34-F43 HydrophobicContact CE3-CD2 4.32Å; W34-F43 PolarHBondContact O-N 3.23Å; W34-F57 HydrophobicContact CB-CE2 3.99Å; W34-F57 HydrophobicContact CD2-CE2 4.2Å; W34-F57 HydrophobicContact CD2-CZ 4.48Å; W34-F57 AromaticContact CE3-CE2 3.88Å; W34-F57 HydrophobicContact CE3-CE2 3.88Å; W34-F57 AromaticContact CE3-CZ 3.82Å; W34-F57 HydrophobicContact CE3-CZ 3.82Å; W34-F57 HydrophobicContact CG-CE2 4.27Å; W34-F57 HydrophobicContact CZ3-CZ 4.16Å; W34-V61 HydrophobicContact CD2-CG2 4.08Å; W34-V61 HydrophobicContact CE3-CG2 4.2Å; W34-V61 HydrophobicContact CH2-CG1 4.22Å; W34-V61 HydrophobicContact CH2-CG2 3.94Å; W34-V61 HydrophobicContact CZ2-CB 4.27Å; W34-V61 HydrophobicContact CZ2-CG1 4.11Å; W34-V61 HydrophobicContact CZ2-CG2 3.84Å; W34-V61 HydrophobicContact CZ3-CG2 4.11Å; W34-T64 PolarHBondContact NE1-OG1 3.29Å; W34-L65 HydrophobicContact CZ2-CD2 4.31Å; W34-L65 HydrophobicContact CZ2-CG 4.43Å
35K95.7Very high95.4Very high57 Ų5756.8 Ų56.825%0.24827%0.273CS..Hα-helixtrans-77-18.1170.3-69.1-164.9164.3-1140113.8L31 D41 F43 S147L31-K35 WeakPolarHBondContact O-CG 3.3Å; L31-K35 PolarHBondContact O-N 2.99Å; K35-D41 WeakPolarHBondContact CA-OD1 3.23Å; K35-D41 WeakPolarHBondContact CB-OD2 3.39Å; K35-D41 WeakPolarHBondContact CG-OD2 3.34Å; K35-D41 IonicContact NZ-OD2 2.93Å; K35-D41 WeakPolarHBondContact O-CA 3.37Å; K35-D41 WeakPolarHBondContact O-CB 3.46Å; K35-F43 HydrophobicContact CG-CB 4.13Å; K35-S147 PolarHBondContact NZ-O 3.23Å; K35-S147 PolarHBondContact NZ-OG 2.92Å
36D95.5Very high95.3Very high106 Ų10655.9 Ų55.957%0.56727%0.269SS*.  trans-135.975170.3-176.312000110.7Y32 W34 R38 G39Y32-D36 PolarHBondContact O-N 3.35Å; Y32-D36 VanDerWaalsContact O-N 3.16Å; W34-D36 VanDerWaalsContact C-N 3.34Å; D36-R38 PolarHBondContact O-N 3.27Å; D36-G39 WeakPolarHBondContact OD1-CA 3.48Å; D36-G39 PolarHBondContact OD1-N 2.75Å
37A95Very high95.1Very high4 Ų456.7 Ų56.73%0.03327%0.27CS..SBendtrans-94.679.2173.100000109.7Y40 L42 Q60A37-Y40 PolarHBondContact N-O 3.24Å; A37-L42 HydrophobicContact CB-CD1 3.45Å; A37-L42 VanDerWaalsContact CB-CD1 3.45Å; A37-L42 HydrophobicContact CB-CG 3.8Å; A37-Q60 HydrophobicContact CB-CG 4.2Å
38R92.4Very high94.9Very high221 Ų22163.3 Ų63.383%0.83430%0.3SS*.SBendtrans62.146.6-176.8-54.5172.9-72.2-135.1-3.5111.9D36 Y40D36-R38 PolarHBondContact O-N 3.27Å; R38-Y40 VanDerWaalsContact C-N 3.35Å
39G94.3Very high94.9Very high66 Ų6663.7 Ų63.768%0.6830%0.304SS*.SBendtrans84.33.718000000115.1D36D36-G39 WeakPolarHBondContact OD1-CA 3.48Å; D36-G39 PolarHBondContact OD1-N 2.75Å
40Y95.8Very high95Very high136 Ų13664.1 Ų64.153%0.53331%0.306SS..  trans-110.9128.8174.3-65-86.6000110.9A37 R38 L42 L45 W53A37-Y40 PolarHBondContact N-O 3.24Å; R38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.96Å; Y40-L42 VanDerWaalsContact O-N 3.08Å; Y40-L45 HydrophobicContact CD1-CD1 4.15Å; Y40-W53 HydrophobicContact CD1-CH2 4.3Å; Y40-W53 HydrophobicContact CE1-CH2 4.44Å
41D96.8Very high95Very high39 Ų3974.3 Ų74.321%0.20934%0.344CS..  trans-8081165.6-167.7-30.7000109.2K35 F43 E44 L45K35-D41 WeakPolarHBondContact CA-OD1 3.23Å; K35-D41 WeakPolarHBondContact CB-OD2 3.39Å; K35-D41 WeakPolarHBondContact CG-OD2 3.34Å; K35-D41 IonicContact NZ-OD2 2.93Å; K35-D41 WeakPolarHBondContact O-CA 3.37Å; K35-D41 WeakPolarHBondContact O-CB 3.46Å; D41-F43 PolarHBondContact O-N 2.81Å; D41-F43 WeakPolarHBondContact OD1-CB 3.26Å; D41-F43 PolarHBondContact OD1-N 2.8Å; D41-E44 HydrophobicContact CB-CB 4.21Å; D41-E44 PolarHBondContact O-N 2.98Å; D41-E44 WeakPolarHBondContact OD1-CB 3.45Å; D41-E44 PolarHBondContact OD1-N 2.76Å; D41-L45 VanDerWaalsContact O-CB 3.24Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.24Å; D41-L45 WeakPolarHBondContact O-CG 3.41Å; D41-L45 PolarHBondContact O-N 2.92Å
42L97.1Very high95.2Very high10 Ų1079.2 Ų79.25%0.05236%0.361CS..Hα-helixtrans-64.6-23.2179.9-66.8179.2000112.5W34 A37 Y40 L45 M46 W53 P56 F57 Q60W34-L42 PolarHBondContact O-N 3.31Å; A37-L42 HydrophobicContact CB-CD1 3.45Å; A37-L42 VanDerWaalsContact CB-CD1 3.45Å; A37-L42 HydrophobicContact CB-CG 3.8Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.96Å; Y40-L42 VanDerWaalsContact O-N 3.08Å; L42-L45 HydrophobicContact CD2-CD1 4.37Å; L42-M46 WeakPolarHBondContact O-CB 3.04Å; L42-M46 PolarHBondContact O-N 3.16Å; L42-M46 VanDerWaalsContact O-N 3.09Å; L42-W53 HydrophobicContact CD2-CE3 3.72Å; L42-W53 HydrophobicContact CD2-CZ3 3.88Å; L42-P56 HydrophobicContact CD2-CB 4.26Å; L42-F57 HydrophobicContact CB-CB 4.41Å; L42-F57 HydrophobicContact CB-CD2 3.92Å; L42-F57 WeakPolarHBondContact O-CD2 3.49Å; L42-Q60 HydrophobicContact CD1-CB 3.91Å; L42-Q60 HydrophobicContact CD1-CG 4.22Å
43F95.7Very high95.4Very high7 Ų774.1 Ų74.13%0.03134%0.341CS..Hα-helixtrans-69.2-51.2177.3178.6-91.6000110.7L31 W34 K35 D41 Y47 F57 E149L31-F43 HydrophobicContact CD2-CD2 4.05Å; L31-F43 HydrophobicContact CD2-CE2 3.84Å; W34-F43 HydrophobicContact CB-CB 4.28Å; W34-F43 HydrophobicContact CE3-CD2 4.32Å; W34-F43 PolarHBondContact O-N 3.23Å; K35-F43 HydrophobicContact CG-CB 4.13Å; D41-F43 PolarHBondContact O-N 2.81Å; D41-F43 WeakPolarHBondContact OD1-CB 3.26Å; D41-F43 PolarHBondContact OD1-N 2.8Å; F43-Y47 HydrophobicContact CD1-CD2 4.43Å; F43-Y47 HydrophobicContact CD1-CE2 4.38Å; F43-Y47 HydrophobicContact CD2-CE2 4.24Å; F43-Y47 HydrophobicContact CE1-CD2 4.19Å; F43-Y47 AromaticContact CE1-CE2 3.9Å; F43-Y47 HydrophobicContact CE1-CE2 3.9Å; F43-Y47 AromaticContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CZ-CD2 4.32Å; F43-Y47 AromaticContact CZ-CE2 3.57Å; F43-Y47 HydrophobicContact CZ-CE2 3.57Å; F43-Y47 VanDerWaalsContact O-CD2 3.25Å; F43-Y47 WeakPolarHBondContact O-CD2 3.5Å; F43-Y47 PolarHBondContact O-N 2.8Å; F43-F57 HydrophobicContact CB-CE2 4.03Å; F43-F57 HydrophobicContact CD2-CE2 4.07Å; F43-F57 AromaticContact CD2-CZ 3.98Å; F43-F57 HydrophobicContact CD2-CZ 3.98Å; F43-E149 HydrophobicContact CE1-CG 3.77Å; F43-E149 HydrophobicContact CZ-CG 3.66Å
44E95.2Very high95.4Very high89 Ų8971.2 Ų71.242%0.41633%0.326SS..Hα-helixtrans-68.8-43.7177.5-171.3168.1141.600111.5D41 M46 Y47 H48 S147D41-E44 HydrophobicContact CB-CB 4.21Å; D41-E44 PolarHBondContact O-N 2.98Å; D41-E44 WeakPolarHBondContact OD1-CB 3.45Å; D41-E44 PolarHBondContact OD1-N 2.76Å; E44-M46 PolarHBondContact O-N 3.41Å; E44-Y47 PolarHBondContact O-N 2.88Å; E44-Y47 VanDerWaalsContact O-N 3.15Å; E44-H48 PolarHBondContact O-N 3.44Å; E44-S147 PolarHBondContact OE2-OG 3.33Å
45L95.9Very high95.4Very high48 Ų4873.3 Ų73.325%0.25134%0.339SS..Hα-helixtrans-58-37177.2-73.5171.1000112.5Y40 D41 L42 H48 D49 W53Y40-L45 HydrophobicContact CD1-CD1 4.15Å; D41-L45 VanDerWaalsContact O-CB 3.24Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.24Å; D41-L45 WeakPolarHBondContact O-CG 3.41Å; D41-L45 PolarHBondContact O-N 2.92Å; L42-L45 HydrophobicContact CD2-CD1 4.37Å; L45-H48 PolarHBondContact O-N 3.06Å; L45-D49 PolarHBondContact O-N 3.27Å; L45-W53 HydrophobicContact CB-CB 4.21Å; L45-W53 HydrophobicContact CB-CD2 3.86Å; L45-W53 HydrophobicContact CB-CE3 4.43Å; L45-W53 HydrophobicContact CB-CG 3.73Å; L45-W53 HydrophobicContact CD1-CD2 4.1Å; L45-W53 HydrophobicContact CD1-CE3 4.1Å; L45-W53 HydrophobicContact CD1-CH2 3.97Å; L45-W53 HydrophobicContact CD1-CZ2 3.96Å; L45-W53 HydrophobicContact CD1-CZ3 4.04Å; L45-W53 HydrophobicContact CD2-CZ2 4.23Å; L45-W53 HydrophobicContact CG-CD2 4.43Å; L45-W53 VanDerWaalsContact O-CD1 3.26Å
46M95.6Very high95.5Very high3 Ų372.8 Ų72.82%0.01534%0.341CS..Hα-helixtrans-65.2-44176.8-178.7-82.7-56.400112.1L42 E44 H48 D49 Q50 W53 F57L42-M46 WeakPolarHBondContact O-CB 3.04Å; L42-M46 PolarHBondContact O-N 3.16Å; L42-M46 VanDerWaalsContact O-N 3.09Å; E44-M46 PolarHBondContact O-N 3.41Å; M46-H48 VanDerWaalsContact C-N 3.31Å; M46-H48 PolarHBondContact O-N 3.12Å; M46-D49 CarbonylContact O-C 3.51Å; M46-Q50 VanDerWaalsContact O-CA 3.3Å; M46-Q50 WeakPolarHBondContact O-CA 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.39Å; M46-Q50 PolarHBondContact O-N 3.05Å; M46-Q50 VanDerWaalsContact O-N 3.17Å; M46-Q50 HydrophobicContact SD-CG 4.2Å; M46-W53 HydrophobicContact CB-CB 4.36Å; M46-F57 HydrophobicContact CB-CB 3.97Å; M46-F57 HydrophobicContact CB-CD1 4.13Å; M46-F57 HydrophobicContact CB-CD2 4.49Å; M46-F57 HydrophobicContact CB-CG 3.95Å; M46-F57 HydrophobicContact CE-CD1 3.98Å; M46-F57 HydrophobicContact CE-CE1 3.74Å; M46-F57 HydrophobicContact CE-CZ 4.27Å; M46-F57 HydrophobicContact CG-CB 4.12Å; M46-F57 HydrophobicContact CG-CD1 3.79Å; M46-F57 HydrophobicContact CG-CG 4.07Å
47Y92.6Very high95.6Very high39 Ų3968.2 Ų68.215%0.15332%0.316CS..Hα-helixtrans-70.6-28.6177.3-72.6-66.4000113.1I6 F43 E44 G148 I152 Y156I6-Y47 WeakPolarHBondContact CD1-OH 3.38Å; F43-Y47 HydrophobicContact CD1-CD2 4.43Å; F43-Y47 HydrophobicContact CD1-CE2 4.38Å; F43-Y47 HydrophobicContact CD2-CE2 4.24Å; F43-Y47 HydrophobicContact CE1-CD2 4.19Å; F43-Y47 AromaticContact CE1-CE2 3.9Å; F43-Y47 HydrophobicContact CE1-CE2 3.9Å; F43-Y47 AromaticContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CZ-CD2 4.32Å; F43-Y47 AromaticContact CZ-CE2 3.57Å; F43-Y47 HydrophobicContact CZ-CE2 3.57Å; F43-Y47 VanDerWaalsContact O-CD2 3.25Å; F43-Y47 WeakPolarHBondContact O-CD2 3.5Å; F43-Y47 PolarHBondContact O-N 2.8Å; E44-Y47 PolarHBondContact O-N 2.88Å; E44-Y47 VanDerWaalsContact O-N 3.15Å; Y47-G148 WeakPolarHBondContact CD2-O 3.31Å; Y47-I152 HydrophobicContact CD1-CD1 3.91Å; Y47-I152 HydrophobicContact CD1-CG1 3.63Å; Y47-I152 HydrophobicContact CD2-CD1 4.46Å; Y47-I152 HydrophobicContact CE1-CD1 3.38Å; Y47-I152 HydrophobicContact CE1-CG1 3.55Å; Y47-I152 HydrophobicContact CE2-CD1 4Å; Y47-I152 HydrophobicContact CG-CD1 4.42Å; Y47-I152 HydrophobicContact CG-CG1 4.27Å; Y47-I152 VanDerWaalsContact CZ-CD1 3.42Å; Y47-Y156 HydrophobicContact CE1-CE1 4.14Å
48H91.9Very high95.7Very high164 Ų16468.1 Ų68.176%0.75932%0.315SS*.Hα-helixtrans-75.7-45.4176.8-177.1-79000113.3E44 L45 M46E44-H48 PolarHBondContact O-N 3.44Å; L45-H48 PolarHBondContact O-N 3.06Å; M46-H48 VanDerWaalsContact C-N 3.31Å; M46-H48 PolarHBondContact O-N 3.12Å
49D94.6Very high95.8Very high65 Ų6559.8 Ų59.835%0.34829%0.293SS..  trans-139.386.5176.7178.5-1.1000110.6L45 M46 R51 R52 W53L45-D49 PolarHBondContact O-N 3.27Å; M46-D49 CarbonylContact O-C 3.51Å; D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 3.15Å; D49-R51 PolarHBondContact OD1-N 2.86Å; D49-R51 VanDerWaalsContact OD1-N 3.16Å; D49-R52 HydrophobicContact CB-CB 4.4Å; D49-R52 PolarHBondContact O-N 3.26Å; D49-R52 PolarHBondContact OD1-N 3.25Å; D49-R52 WeakPolarHBondContact OD2-CB 3.48Å; D49-W53 WeakPolarHBondContact O-CB 3.47Å; D49-W53 PolarHBondContact O-N 3.2Å
50Q95.4Very high95.9Very high47 Ų4758.5 Ų58.522%0.2227%0.27CS..Hα-helixtrans-59.2-36.4-179.4-69.6-179.147.100111.8M46 R52 W53 S54 N98 S100M46-Q50 VanDerWaalsContact O-CA 3.3Å; M46-Q50 WeakPolarHBondContact O-CA 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.39Å; M46-Q50 PolarHBondContact O-N 3.05Å; M46-Q50 VanDerWaalsContact O-N 3.17Å; M46-Q50 HydrophobicContact SD-CG 4.2Å; Q50-R52 VanDerWaalsContact C-N 3.35Å; Q50-R52 PolarHBondContact O-N 3.34Å; Q50-W53 PolarHBondContact O-N 2.9Å; Q50-S54 WeakPolarHBondContact O-CB 3.45Å; Q50-S54 PolarHBondContact O-N 2.85Å; Q50-S54 PolarHBondContact O-OG 2.82Å; Q50-N98 PolarHBondContact OE1-ND2 3.27Å; Q50-S100 WeakPolarHBondContact CB-OG 3.43Å; Q50-S100 PolarHBondContact OE1-OG 3.23Å
51R96.1Very high96Very high214 Ų21452.3 Ų52.381%0.80825%0.246SC*.Hα-helixtrans-65.7-40.2-177.5-65-173.1-149.5-1756.3111.7D49 S100D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 3.15Å; D49-R51 PolarHBondContact OD1-N 2.86Å; D49-R51 VanDerWaalsContact OD1-N 3.16Å; R51-S100 WeakPolarHBondContact CA-O 3.19Å
52R97.1Very high95.9Very high133 Ų13350.9 Ų50.950%0.50224%0.238SC..Hα-helixtrans-78.8-37179.7177.957.5-173.181.91.5112.9D49 Q50D49-R52 HydrophobicContact CB-CB 4.4Å; D49-R52 PolarHBondContact O-N 3.26Å; D49-R52 PolarHBondContact OD1-N 3.25Å; D49-R52 WeakPolarHBondContact OD2-CB 3.48Å; Q50-R52 VanDerWaalsContact C-N 3.35Å; Q50-R52 PolarHBondContact O-N 3.34Å
53W97.2Very high95.8Very high46 Ų4655 Ų5517%0.17426%0.263CS..Hα-helixtrans-112-7.8-162.6-63108.1000115.1Y40 L42 L45 M46 D49 Q50 V55 P56 F57Y40-W53 HydrophobicContact CD1-CH2 4.3Å; Y40-W53 HydrophobicContact CE1-CH2 4.44Å; L42-W53 HydrophobicContact CD2-CE3 3.72Å; L42-W53 HydrophobicContact CD2-CZ3 3.88Å; L45-W53 HydrophobicContact CB-CB 4.21Å; L45-W53 HydrophobicContact CB-CD2 3.86Å; L45-W53 HydrophobicContact CB-CE3 4.43Å; L45-W53 HydrophobicContact CB-CG 3.73Å; L45-W53 HydrophobicContact CD1-CD2 4.1Å; L45-W53 HydrophobicContact CD1-CE3 4.1Å; L45-W53 HydrophobicContact CD1-CH2 3.97Å; L45-W53 HydrophobicContact CD1-CZ2 3.96Å; L45-W53 HydrophobicContact CD1-CZ3 4.04Å; L45-W53 HydrophobicContact CD2-CZ2 4.23Å; L45-W53 HydrophobicContact CG-CD2 4.43Å; L45-W53 VanDerWaalsContact O-CD1 3.26Å; M46-W53 HydrophobicContact CB-CB 4.36Å; D49-W53 WeakPolarHBondContact O-CB 3.47Å; D49-W53 PolarHBondContact O-N 3.2Å; Q50-W53 PolarHBondContact O-N 2.9Å; W53-V55 PolarHBondContact O-N 2.79Å; W53-P56 HydrophobicContact CE3-CB 4.35Å; W53-P56 HydrophobicContact CE3-CG 4.32Å; W53-P56 WeakPolarHBondContact O-CD 3.31Å; W53-F57 WeakPolarHBondContact O-CB 3.46Å; W53-F57 PolarHBondContact O-N 3.11Å
54S97.2Very high95.8Very high0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-54.9-51.2177.4-76.50000113.1Q50 F57 Q58 M95 I101Q50-S54 WeakPolarHBondContact O-CB 3.45Å; Q50-S54 PolarHBondContact O-N 2.85Å; Q50-S54 PolarHBondContact O-OG 2.82Å; S54-F57 PolarHBondContact O-N 3.39Å; S54-Q58 WeakPolarHBondContact O-CB 3.21Å; S54-Q58 WeakPolarHBondContact O-CG 3.26Å; S54-Q58 PolarHBondContact O-N 3.37Å; S54-M95 VanDerWaalsContact CB-SD 3.51Å; S54-I101 VanDerWaalsContact CB-CG2 3.47Å
55V97.3Very high95.8Very high46 Ų4651.3 Ų51.328%0.27925%0.247SC..Hα-helixtrans-67.9-49.3-177.4179.20000112.3W53 F57 Q58 A59 I101 D105W53-V55 PolarHBondContact O-N 2.79Å; V55-F57 VanDerWaalsContact C-N 3.29Å; V55-F57 PolarHBondContact O-N 3.31Å; V55-Q58 PolarHBondContact O-N 2.94Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 2.88Å; V55-I101 HydrophobicContact CG2-CB 4.47Å; V55-I101 HydrophobicContact CG2-CG2 3.78Å; V55-D105 HydrophobicContact CG2-CB 3.8Å
56P96.7Very high95.8Very high45 Ų4550.3 Ų50.329%0.29224%0.242SC..Hα-helixtrans-55.8-42173.3-2734.1000113.6L42 W53 A59 Q60L42-P56 HydrophobicContact CD2-CB 4.26Å; W53-P56 HydrophobicContact CE3-CB 4.35Å; W53-P56 HydrophobicContact CE3-CG 4.32Å; W53-P56 WeakPolarHBondContact O-CD 3.31Å; P56-A59 PolarHBondContact O-N 3.02Å; P56-Q60 PolarHBondContact O-N 2.97Å; P56-Q60 VanDerWaalsContact O-N 3.14Å
57F97.3Very high95.8Very high11 Ų1153.7 Ų53.75%0.04826%0.26CS..Hα-helixtrans-65.5-46.6177.5178.1-109.5000111.3W34 L42 F43 M46 W53 S54 V55 A59 Q60 V61W34-F57 HydrophobicContact CB-CE2 3.99Å; W34-F57 HydrophobicContact CD2-CE2 4.2Å; W34-F57 HydrophobicContact CD2-CZ 4.48Å; W34-F57 AromaticContact CE3-CE2 3.88Å; W34-F57 HydrophobicContact CE3-CE2 3.88Å; W34-F57 AromaticContact CE3-CZ 3.82Å; W34-F57 HydrophobicContact CE3-CZ 3.82Å; W34-F57 HydrophobicContact CG-CE2 4.27Å; W34-F57 HydrophobicContact CZ3-CZ 4.16Å; L42-F57 HydrophobicContact CB-CB 4.41Å; L42-F57 HydrophobicContact CB-CD2 3.92Å; L42-F57 WeakPolarHBondContact O-CD2 3.49Å; F43-F57 HydrophobicContact CB-CE2 4.03Å; F43-F57 HydrophobicContact CD2-CE2 4.07Å; F43-F57 AromaticContact CD2-CZ 3.98Å; F43-F57 HydrophobicContact CD2-CZ 3.98Å; M46-F57 HydrophobicContact CB-CB 3.97Å; M46-F57 HydrophobicContact CB-CD1 4.13Å; M46-F57 HydrophobicContact CB-CD2 4.49Å; M46-F57 HydrophobicContact CB-CG 3.95Å; M46-F57 HydrophobicContact CE-CD1 3.98Å; M46-F57 HydrophobicContact CE-CE1 3.74Å; M46-F57 HydrophobicContact CE-CZ 4.27Å; M46-F57 HydrophobicContact CG-CB 4.12Å; M46-F57 HydrophobicContact CG-CD1 3.79Å; M46-F57 HydrophobicContact CG-CG 4.07Å; W53-F57 WeakPolarHBondContact O-CB 3.46Å; W53-F57 PolarHBondContact O-N 3.11Å; S54-F57 PolarHBondContact O-N 3.39Å; V55-F57 VanDerWaalsContact C-N 3.29Å; V55-F57 PolarHBondContact O-N 3.31Å; F57-A59 VanDerWaalsContact C-N 3.32Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-Q60 WeakPolarHBondContact O-CB 3.37Å; F57-Q60 PolarHBondContact O-N 3.14Å; F57-Q60 VanDerWaalsContact O-N 3.14Å; F57-V61 HydrophobicContact CD1-CG2 4.14Å; F57-V61 HydrophobicContact CD2-CG2 4.31Å; F57-V61 HydrophobicContact CE1-CG2 3.73Å; F57-V61 HydrophobicContact CE2-CG2 3.93Å; F57-V61 HydrophobicContact CG-CG2 4.41Å; F57-V61 HydrophobicContact CZ-CG2 3.62Å; F57-V61 WeakPolarHBondContact O-CG2 3.29Å; F57-V61 PolarHBondContact O-N 3.1Å
58Q97Very high95.8Very high1 Ų154 Ų541%0.00526%0.261CS..Hα-helixtrans-63-36.9177.2-76.6-53.5-60.800112.9S54 V55 Q60 V61 L62 S87 M95 L109S54-Q58 WeakPolarHBondContact O-CB 3.21Å; S54-Q58 WeakPolarHBondContact O-CG 3.26Å; S54-Q58 PolarHBondContact O-N 3.37Å; V55-Q58 PolarHBondContact O-N 2.94Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 3.27Å; Q58-V61 PolarHBondContact O-N 3.16Å; Q58-L62 WeakPolarHBondContact O-CB 3.34Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 3.04Å; Q58-S87 PolarHBondContact OE1-OG 2.83Å; Q58-M95 HydrophobicContact CG-CE 3.31Å; Q58-M95 HydrophobicContact CG-SD 3.52Å; Q58-M95 VanDerWaalsContact CG-SD 3.52Å; Q58-L109 HydrophobicContact CB-CD1 4.29Å; Q58-L109 HydrophobicContact CB-CD2 4.19Å
59A95.3Very high95.9Very high46 Ų4646.5 Ų46.538%0.3823%0.226SC..Hα-helixtrans-60.4-44.5173.200000111.6V55 P56 F57 L62 V63V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 2.88Å; P56-A59 PolarHBondContact O-N 3.02Å; F57-A59 VanDerWaalsContact C-N 3.32Å; F57-A59 PolarHBondContact O-N 3.45Å; A59-L62 PolarHBondContact O-N 2.93Å; A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 2.83Å; A59-V63 VanDerWaalsContact O-N 3.09Å
60Q96.6Very high95.9Very high40 Ų4045.9 Ų45.919%0.18723%0.227CC..Hα-helixtrans-64.5-43.3176.4-176.367.7-2.300111.9L33 A37 L42 P56 F57 Q58 T64L33-Q60 PolarHBondContact O-NE2 3.45Å; A37-Q60 HydrophobicContact CB-CG 4.2Å; L42-Q60 HydrophobicContact CD1-CB 3.91Å; L42-Q60 HydrophobicContact CD1-CG 4.22Å; P56-Q60 PolarHBondContact O-N 2.97Å; P56-Q60 VanDerWaalsContact O-N 3.14Å; F57-Q60 WeakPolarHBondContact O-CB 3.37Å; F57-Q60 PolarHBondContact O-N 3.14Å; F57-Q60 VanDerWaalsContact O-N 3.14Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 3.27Å; Q60-T64 WeakPolarHBondContact O-CB 3.31Å; Q60-T64 VanDerWaalsContact O-CG2 3.29Å; Q60-T64 WeakPolarHBondContact O-CG2 3.49Å; Q60-T64 PolarHBondContact O-N 2.92Å; Q60-T64 PolarHBondContact O-OG1 3.42Å
61V96.7Very high95.8Very high6 Ų648.2 Ų48.24%0.03624%0.237CC..Hα-helixtrans-60.5-49.1175.9170.60000110.6W34 F57 Q58 V63 T64 L65W34-V61 HydrophobicContact CD2-CG2 4.08Å; W34-V61 HydrophobicContact CE3-CG2 4.2Å; W34-V61 HydrophobicContact CH2-CG1 4.22Å; W34-V61 HydrophobicContact CH2-CG2 3.94Å; W34-V61 HydrophobicContact CZ2-CB 4.27Å; W34-V61 HydrophobicContact CZ2-CG1 4.11Å; W34-V61 HydrophobicContact CZ2-CG2 3.84Å; W34-V61 HydrophobicContact CZ3-CG2 4.11Å; F57-V61 HydrophobicContact CD1-CG2 4.14Å; F57-V61 HydrophobicContact CD2-CG2 4.31Å; F57-V61 HydrophobicContact CE1-CG2 3.73Å; F57-V61 HydrophobicContact CE2-CG2 3.93Å; F57-V61 HydrophobicContact CG-CG2 4.41Å; F57-V61 HydrophobicContact CZ-CG2 3.62Å; F57-V61 WeakPolarHBondContact O-CG2 3.29Å; F57-V61 PolarHBondContact O-N 3.1Å; Q58-V61 PolarHBondContact O-N 3.16Å; V61-V63 PolarHBondContact O-N 3.1Å; V61-T64 PolarHBondContact O-N 3.39Å; V61-T64 PolarHBondContact O-OG1 2.98Å; V61-T64 VanDerWaalsContact O-OG1 3.04Å; V61-L65 HydrophobicContact CG1-CD1 3.61Å; V61-L65 HydrophobicContact CG1-CG 4.08Å; V61-L65 WeakPolarHBondContact O-CB 3.16Å; V61-L65 VanDerWaalsContact O-CG 3.3Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.41Å
62L95.7Very high95.6Very high8 Ų843 Ų434%0.04223%0.231CC..Hα-helixtrans-60.5-47.1-179.1-77.3172000112.2Q58 A59 L66 I84 S87 L109 I112Q58-L62 WeakPolarHBondContact O-CB 3.34Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 3.04Å; A59-L62 PolarHBondContact O-N 2.93Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.33Å; L62-I84 HydrophobicContact CD2-CG2 4.49Å; L62-S87 WeakPolarHBondContact CD2-OG 3.41Å; L62-L109 HydrophobicContact CD1-CD2 4.23Å; L62-I112 HydrophobicContact CD1-CG2 4.19Å
63V94.4Very high95.5Very high97 Ų9740.8 Ų40.859%0.58823%0.233SC*.Hα-helixtrans-61.6-47178.8170.60000111.1A59 V61 D67A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 2.83Å; A59-V63 VanDerWaalsContact O-N 3.09Å; V61-V63 PolarHBondContact O-N 3.1Å; V63-D67 WeakPolarHBondContact O-CB 3.36Å; V63-D67 PolarHBondContact O-N 3.23Å
64T96Very high95.4Very high12 Ų1243.8 Ų43.87%0.07426%0.257CS..Hα-helixtrans-70.6-39.4-176.953.90000112.8L33 W34 Q60 V61 R68L33-T64 HydrophobicContact CB-CG2 4.19Å; L33-T64 HydrophobicContact CD1-CG2 3.83Å; W34-T64 PolarHBondContact NE1-OG1 3.29Å; Q60-T64 WeakPolarHBondContact O-CB 3.31Å; Q60-T64 VanDerWaalsContact O-CG2 3.29Å; Q60-T64 WeakPolarHBondContact O-CG2 3.49Å; Q60-T64 PolarHBondContact O-N 2.92Å; Q60-T64 PolarHBondContact O-OG1 3.42Å; V61-T64 PolarHBondContact O-N 3.39Å; V61-T64 PolarHBondContact O-OG1 2.98Å; V61-T64 VanDerWaalsContact O-OG1 3.04Å; T64-R68 VanDerWaalsContact O-CG 3.25Å; T64-R68 WeakPolarHBondContact O-CG 3.26Å; T64-R68 PolarHBondContact O-N 3.5Å
65L95.9Very high95.4Very high6 Ų647.8 Ų47.83%0.03127%0.274CS..Hα-helixtrans-70-39.7175.9-66.6-174.9000111.5W34 V61 D67 R68 Q69 S83 I84W34-L65 HydrophobicContact CZ2-CD2 4.31Å; W34-L65 HydrophobicContact CZ2-CG 4.43Å; V61-L65 HydrophobicContact CG1-CD1 3.61Å; V61-L65 HydrophobicContact CG1-CG 4.08Å; V61-L65 WeakPolarHBondContact O-CB 3.16Å; V61-L65 VanDerWaalsContact O-CG 3.3Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.41Å; L65-D67 PolarHBondContact O-N 2.73Å; L65-R68 PolarHBondContact O-N 3.08Å; L65-Q69 WeakPolarHBondContact O-CB 3.41Å; L65-Q69 VanDerWaalsContact O-CG 3.29Å; L65-Q69 WeakPolarHBondContact O-CG 3.36Å; L65-Q69 PolarHBondContact O-N 3.04Å; L65-S83 WeakPolarHBondContact CD1-O 3.34Å; L65-I84 HydrophobicContact CB-CG2 3.95Å
66L95.6Very high95.3Very high27 Ų2750.9 Ų50.914%0.14130%0.295CS..Hα-helixtrans-60.2-47.1175.4176.458.2000111.9L62 R68 Q69 S70 I84 I116 K120 V122L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.33Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.3Å; L66-Q69 PolarHBondContact O-N 2.95Å; L66-S70 VanDerWaalsContact O-CB 3.28Å; L66-S70 WeakPolarHBondContact O-CB 3.37Å; L66-S70 PolarHBondContact O-N 2.76Å; L66-S70 PolarHBondContact O-OG 3.25Å; L66-I84 HydrophobicContact CB-CG2 4.29Å; L66-I116 HydrophobicContact CD1-CG2 3.6Å; L66-I116 HydrophobicContact CD2-CD1 4.05Å; L66-I116 HydrophobicContact CD2-CG1 3.96Å; L66-I116 HydrophobicContact CD2-CG2 4.03Å; L66-I116 HydrophobicContact CG-CG2 4.38Å; L66-K120 HydrophobicContact CD1-CB 4.14Å; L66-K120 HydrophobicContact CD1-CG 4.42Å; L66-V122 HydrophobicContact CD1-CG1 3.65Å
67D94.4Very high95.3Very high74 Ų7452.1 Ų52.140%0.39630%0.302SS..Hα-helixtrans-57.6-43.7177172.670.2000111.4V63 L65 K71V63-D67 WeakPolarHBondContact O-CB 3.36Å; V63-D67 PolarHBondContact O-N 3.23Å; L65-D67 PolarHBondContact O-N 2.73Å; D67-K71 VanDerWaalsContact CG-NZ 3.26Å; D67-K71 WeakPolarHBondContact O-CD 3.38Å; D67-K71 WeakPolarHBondContact O-CG 3.27Å; D67-K71 PolarHBondContact O-N 2.95Å; D67-K71 WeakPolarHBondContact OD1-CE 3.41Å; D67-K71 IonicContact OD1-NZ 3.71Å; D67-K71 PolarHBondContact OD1-NZ 2.6Å; D67-K71 VanDerWaalsContact OD1-NZ 3.14Å; D67-K71 WeakPolarHBondContact OD2-CE 3.49Å; D67-K71 IonicContact OD2-NZ 2.73Å; D67-K71 PolarHBondContact OD2-NZ 3.27Å
68R93.9Very high95.3Very high47 Ų4753.8 Ų53.818%0.17731%0.308CS..Hα-helixtrans-68.3-41.8179.1-67.9173.382.473.9-5.4112.9M27 H28 T64 L65 L66M27-R68 VanDerWaalsContact CA-NH2 3.35Å; M27-R68 VanDerWaalsContact CB-NH2 3.32Å; M27-R68 HydrophobicContact SD-CB 4.23Å; H28-R68 VanDerWaalsContact O-CZ 3.3Å; H28-R68 PolarHBondContact O-NE 3.25Å; H28-R68 PolarHBondContact O-NH2 2.91Å; T64-R68 VanDerWaalsContact O-CG 3.25Å; T64-R68 WeakPolarHBondContact O-CG 3.26Å; T64-R68 PolarHBondContact O-N 3.5Å; L65-R68 PolarHBondContact O-N 3.08Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.3Å
69Q94.2Very high95.3Very high6 Ų654.6 Ų54.63%0.02831%0.312CS..Hα-helixtrans-75.6-34.1-176.8-72.1-169.1-77.800113.4M1 L65 L66 L80 V122M1-Q69 PolarHBondContact SD-NE2 2.98Å; L65-Q69 WeakPolarHBondContact O-CB 3.41Å; L65-Q69 VanDerWaalsContact O-CG 3.29Å; L65-Q69 WeakPolarHBondContact O-CG 3.36Å; L65-Q69 PolarHBondContact O-N 3.04Å; L66-Q69 PolarHBondContact O-N 2.95Å; Q69-L80 HydrophobicContact CG-CD1 3.84Å; Q69-V122 HydrophobicContact CB-CG1 4.35Å
70S94Very high95.4Very high52 Ų5253.1 Ų53.136%0.36430%0.298SS..Hα-helixtrans-81.7-17.2-178.862.10000113.7L66L66-S70 VanDerWaalsContact O-CB 3.28Å; L66-S70 WeakPolarHBondContact O-CB 3.37Å; L66-S70 PolarHBondContact O-N 2.76Å; L66-S70 PolarHBondContact O-OG 3.25Å
71K92.8Very high95.4Very high96 Ų9651.9 Ų51.942%0.41729%0.292SS..SBendtrans-62.6139.2175.5-85.9167.7179.31670110.9D67 R78D67-K71 VanDerWaalsContact CG-NZ 3.26Å; D67-K71 WeakPolarHBondContact O-CD 3.38Å; D67-K71 WeakPolarHBondContact O-CG 3.27Å; D67-K71 PolarHBondContact O-N 2.95Å; D67-K71 WeakPolarHBondContact OD1-CE 3.41Å; D67-K71 IonicContact OD1-NZ 3.71Å; D67-K71 PolarHBondContact OD1-NZ 2.6Å; D67-K71 VanDerWaalsContact OD1-NZ 3.14Å; D67-K71 WeakPolarHBondContact OD2-CE 3.49Å; D67-K71 IonicContact OD2-NZ 2.73Å; D67-K71 PolarHBondContact OD2-NZ 3.27Å; K71-R78 PolarHBondContact O-NH1 3.33Å
72P93.2Very high95.4Very high105 Ų10552 Ų5268%0.68229%0.291SS*.PPolyproline II helixtrans-62143.1171.2-24.134.4000112.3R78P72-R78 PolarHBondContact O-NH2 2.63Å
73P94.4Very high95.4Very high85 Ų8551.6 Ų51.655%0.55229%0.289SS*.PPolyproline II helixtrans-58.4137.7172.625.5-32.6000112.3E25 K75 R78E25-P73 WeakPolarHBondContact OE2-CA 3.49Å; P73-K75 WeakPolarHBondContact CB-O 3.27Å; P73-R78 HydrophobicContact CB-CB 4.36Å
74T95.6Very high95.5Very high109 Ų10947 Ų4767%0.66926%0.261SS*.SBendtrans-90.5-12.8173.561.20000112.2E25E25-T74 PolarHBondContact OE1-OG1 3.49Å; E25-T74 PolarHBondContact OE2-N 3.11Å; E25-T74 PolarHBondContact OE2-OG1 3.17Å
75K96.3Very high95.5Very high85 Ų8546.8 Ų46.837%0.3726%0.26SS..SBendtrans-137.4162.3177.9-58.9-179.5175-172.40110.7P22 K23 N24 E25 P73 V77P22-K75 VanDerWaalsContact O-CD 3.3Å; P22-K75 WeakPolarHBondContact O-CD 3.46Å; P22-K75 VanDerWaalsContact O-CE 3.28Å; P22-K75 WeakPolarHBondContact O-CE 3.39Å; P22-K75 PolarHBondContact O-NZ 3.11Å; K23-K75 VanDerWaalsContact O-CB 3.26Å; K23-K75 WeakPolarHBondContact O-CB 3.38Å; N24-K75 VanDerWaalsContact C-CD 3.45Å; N24-K75 WeakPolarHBondContact O-CD 3.47Å; N24-K75 PolarHBondContact O-NZ 2.95Å; E25-K75 HydrophobicContact CB-CB 4.02Å; E25-K75 HydrophobicContact CB-CD 4.01Å; E25-K75 HydrophobicContact CB-CG 4.17Å; P73-K75 WeakPolarHBondContact CB-O 3.27Å; K75-V77 PolarHBondContact O-N 3.28Å; K75-V77 VanDerWaalsContact O-N 3.13Å
76P96.3Very high95.6Very high111 Ų11146.5 Ų46.572%0.72126%0.258SS*.SBendtrans-59.2-28.7-174.8-26.835.8000115.2
77V96.2Very high95.6Very high70 Ų7045.3 Ų45.342%0.42425%0.252SS..EExtended strand (participates in β ladder)trans-123.4123.4178.2178.90000108.7K23 N24 E25 K75 L79K23-V77 PolarHBondContact O-N 2.82Å; N24-V77 CarbonylContact C-O 3.55Å; N24-V77 WeakPolarHBondContact CA-O 3.47Å; N24-V77 WeakPolarHBondContact OD1-CB 3.41Å; E25-V77 PolarHBondContact N-O 2.67Å; K75-V77 PolarHBondContact O-N 3.28Å; K75-V77 VanDerWaalsContact O-N 3.13Å; V77-L79 HydrophobicContact CG1-CD1 4Å
78R96.8Very high95.7Very high47 Ų4742.4 Ų42.418%0.17724%0.236CC..EExtended strand (participates in β ladder)trans-114.3127.6171.7179.8-178.5-76.2177.6-10.2111.1E25 M27 K71 P72 P73 L80E25-R78 HydrophobicContact CB-CB 4.36Å; E25-R78 HydrophobicContact CB-CG 4.45Å; E25-R78 VanDerWaalsContact CD-NH2 3.25Å; E25-R78 HydrophobicContact CG-CG 4.34Å; E25-R78 CarbonylContact O-C 3.58Å; E25-R78 VanDerWaalsContact O-CA 3.31Å; E25-R78 WeakPolarHBondContact O-CA 3.18Å; E25-R78 IonicContact OE1-CZ 3.17Å; E25-R78 IonicContact OE1-NE 3.55Å; E25-R78 IonicContact OE1-NH2 3.49Å; E25-R78 PolarHBondContact OE1-NH2 3.46Å; E25-R78 IonicContact OE2-CZ 3.15Å; E25-R78 VanDerWaalsContact OE2-CZ 3.24Å; E25-R78 IonicContact OE2-NE 3.92Å; E25-R78 PolarHBondContact OE2-NE 3.21Å; E25-R78 IonicContact OE2-NH2 3.11Å; E25-R78 PolarHBondContact OE2-NH2 2.78Å; M27-R78 VanDerWaalsContact CE-NH2 3.27Å; K71-R78 PolarHBondContact O-NH1 3.33Å; P72-R78 PolarHBondContact O-NH2 2.63Å; P73-R78 HydrophobicContact CB-CB 4.36Å; R78-L80 HydrophobicContact CG-CD2 4.09Å; R78-L80 HydrophobicContact CG-CG 4.21Å
79L97.3Very high95.9Very high18 Ų1842.1 Ų42.19%0.09424%0.235CC..EExtended strand (participates in β ladder)trans-107.3126.3169-55.794.3000109.5V2 F13 L14 F17 N24 E25 V26 M27 V77V2-L79 HydrophobicContact CG2-CD2 4.34Å; F13-L79 HydrophobicContact CE1-CD2 4.12Å; L14-L79 HydrophobicContact CD2-CB 3.41Å; L14-L79 VanDerWaalsContact CD2-CB 3.41Å; L14-L79 HydrophobicContact CD2-CD2 4.09Å; L14-L79 HydrophobicContact CD2-CG 4.38Å; F17-L79 HydrophobicContact CB-CD1 4.32Å; F17-L79 HydrophobicContact CB-CD2 3.97Å; F17-L79 HydrophobicContact CD1-CD2 4.1Å; F17-L79 HydrophobicContact CG-CD2 3.96Å; N24-L79 HydrophobicContact CB-CD1 4.19Å; E25-L79 PolarHBondContact O-N 3.17Å; V26-L79 WeakPolarHBondContact CA-O 3.35Å; V26-L79 HydrophobicContact CG2-CB 4.39Å; V26-L79 HydrophobicContact CG2-CD1 4.12Å; M27-L79 PolarHBondContact N-O 2.88Å; V77-L79 HydrophobicContact CG1-CD1 4Å
80L97.1Very high96.1Very high15 Ų1541.8 Ų41.88%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-109.1132.3178.2-61.7164.7000108.9M1 V2 M27 Q69 R78M1-L80 CarbonylContact C-O 3.59Å; M1-L80 HydrophobicContact CG-CB 4.47Å; M1-L80 HydrophobicContact CG-CD1 4.12Å; V2-L80 PolarHBondContact N-O 3.3Å; M27-L80 HydrophobicContact CB-CD2 3.66Å; M27-L80 HydrophobicContact CG-CD2 4.04Å; M27-L80 HydrophobicContact SD-CD2 3.58Å; M27-L80 VanDerWaalsContact SD-CD2 3.58Å; Q69-L80 HydrophobicContact CG-CD1 3.84Å; R78-L80 HydrophobicContact CG-CD2 4.09Å; R78-L80 HydrophobicContact CG-CG 4.21Å
81E97.4Very high96.3Very high13 Ų1340.3 Ų40.36%0.06122%0.22CC..BIsolated β-bridgetrans-80.6113.3167.6-160.5162-171.100109.3K10 S11 L14 M27 H28 E29K10-E81 HydrophobicContact CB-CG 3.99Å; K10-E81 WeakPolarHBondContact CB-OE1 3.31Å; K10-E81 HydrophobicContact CD-CG 4.2Å; S11-E81 PolarHBondContact N-OE1 2.72Å; S11-E81 PolarHBondContact OG-OE1 2.98Å; L14-E81 HydrophobicContact CD1-CB 3.39Å; L14-E81 HydrophobicContact CD1-CG 3.65Å; M27-E81 PolarHBondContact O-N 2.73Å; H28-E81 WeakPolarHBondContact CA-OE2 3.45Å; H28-E81 IonicContact CG-OE2 3.7Å; H28-E81 IonicContact ND1-OE2 3.91Å; H28-E81 PolarHBondContact ND1-OE2 2.85Å; E29-E81 HydrophobicContact CB-CB 4.24Å; E29-E81 HydrophobicContact CB-CG 4.1Å; E29-E81 PolarHBondContact N-OE2 2.64Å
82R96.4Very high96.5Very high8 Ų835.8 Ų35.83%0.0320%0.201CC..SBendtrans61.6-178.3-172.3-56.8-167.1-178.7-80.54.9114.9V2 E3 G4 K10 E29 F91V2-R82 PolarHBondContact O-N 3.34Å; E3-R82 WeakPolarHBondContact OE2-CA 3.44Å; G4-R82 PolarHBondContact O-NH1 2.89Å; G4-R82 PolarHBondContact O-NH2 3.14Å; K10-R82 HydrophobicContact CD-CG 4.39Å; K10-R82 VanDerWaalsContact NZ-NH2 3.13Å; E29-R82 WeakPolarHBondContact OE1-CD 3.4Å; E29-R82 IonicContact OE1-NE 2.69Å; E29-R82 PolarHBondContact OE1-NE 2.87Å; E29-R82 WeakPolarHBondContact OE2-CD 3.19Å; E29-R82 IonicContact OE2-NE 3.49Å; E29-R82 PolarHBondContact OE2-NE 3.29Å; E29-R82 VanDerWaalsContact OE2-NE 3.11Å; R82-F91 VanDerWaalsContact CZ-CZ 3.44Å
83S96.1Very high96.8Very high0 Ų031.7 Ų31.70%017%0.173CC..  trans-155.8168-177.862.10000112M1 E3 L65 H85 S86 S87M1-S83 WeakPolarHBondContact SD-CB 3.41Å; E3-S83 VanDerWaalsContact OE1-CB 3.26Å; E3-S83 WeakPolarHBondContact OE1-CB 3.37Å; E3-S83 PolarHBondContact OE1-N 3.3Å; E3-S83 PolarHBondContact OE1-OG 3.47Å; L65-S83 WeakPolarHBondContact CD1-O 3.34Å; S83-H85 PolarHBondContact O-N 2.73Å; S83-H85 VanDerWaalsContact O-N 3.12Å; S83-H85 WeakPolarHBondContact OG-CB 3.14Å; S83-H85 PolarHBondContact OG-N 2.6Å; S83-S86 PolarHBondContact N-OG 3.21Å; S83-S86 PolarHBondContact O-N 3.2Å; S83-S86 PolarHBondContact O-OG 3.16Å; S83-S86 PolarHBondContact OG-N 2.74Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.15Å
84I96.3Very high96.9Very high0 Ų027.8 Ų27.80%015%0.147CC..Hα-helixtrans-55.3-25.7166.762.8162.3000111.6L62 L65 L66 R88 F113 I116 L117 V122L62-I84 HydrophobicContact CD2-CG2 4.49Å; L65-I84 HydrophobicContact CB-CG2 3.95Å; L66-I84 HydrophobicContact CB-CG2 4.29Å; I84-R88 WeakPolarHBondContact O-CB 3.17Å; I84-R88 PolarHBondContact O-N 3.35Å; I84-F113 HydrophobicContact CB-CE2 4.16Å; I84-F113 HydrophobicContact CD1-CD2 4.44Å; I84-F113 HydrophobicContact CD1-CE2 3.9Å; I84-F113 HydrophobicContact CG1-CE2 4.03Å; I84-F113 WeakPolarHBondContact O-CE2 3.49Å; I84-I116 HydrophobicContact CD1-CG2 3.82Å; I84-L117 HydrophobicContact CD1-CD2 3.76Å; I84-V122 HydrophobicContact CD1-CB 4.33Å; I84-V122 HydrophobicContact CD1-CG1 4Å; I84-V122 HydrophobicContact CD1-CG2 4.04Å
85H96.2Very high97Very high9 Ų922.7 Ų22.74%0.04212%0.116CC..Hα-helixtrans-71.7-44.1179.5-53.3-60.9000111.8S83 S87 R88 Y89 F113 W167S83-H85 PolarHBondContact O-N 2.73Å; S83-H85 VanDerWaalsContact O-N 3.12Å; S83-H85 WeakPolarHBondContact OG-CB 3.14Å; S83-H85 PolarHBondContact OG-N 2.6Å; H85-S87 VanDerWaalsContact C-N 3.34Å; H85-R88 PolarHBondContact O-N 2.78Å; H85-Y89 HydrophobicContact CB-CD2 3.94Å; H85-Y89 HydrophobicContact CB-CE2 3.98Å; H85-Y89 WeakPolarHBondContact O-CB 3.33Å; H85-Y89 WeakPolarHBondContact O-CD2 3.48Å; H85-Y89 PolarHBondContact O-N 2.61Å; H85-F113 AromaticContact ND1-CZ 3.81Å; H85-W167 HydrophobicContact CB-CH2 3.55Å; H85-W167 HydrophobicContact CB-CZ2 3.31Å
86S96.8Very high97.1Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-69-33.4173.541.10000112.4E3 S83 R88 C90 F91E3-S86 WeakPolarHBondContact OE2-CB 3.18Å; E3-S86 PolarHBondContact OE2-OG 2.8Å; S83-S86 PolarHBondContact N-OG 3.21Å; S83-S86 PolarHBondContact O-N 3.2Å; S83-S86 PolarHBondContact O-OG 3.16Å; S83-S86 PolarHBondContact OG-N 2.74Å; S86-R88 VanDerWaalsContact C-N 3.31Å; S86-R88 PolarHBondContact O-N 2.89Å; S86-C90 WeakPolarHBondContact O-CA 3.33Å; S86-C90 WeakPolarHBondContact O-CB 3.42Å; S86-C90 PolarHBondContact O-N 3.35Å; S86-F91 WeakPolarHBondContact O-CD2 3.27Å; S86-F91 PolarHBondContact O-N 3.09Å; S86-F91 VanDerWaalsContact O-N 3.09Å
87S96.5Very high97.2Very high2 Ų220.8 Ų20.81%0.01410%0.102CC..Iπ-helixtrans-55.2-48.2169.8170.90000110.7Q58 L62 S83 H85 F91 T92Q58-S87 PolarHBondContact OE1-OG 2.83Å; L62-S87 WeakPolarHBondContact CD2-OG 3.41Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.15Å; H85-S87 VanDerWaalsContact C-N 3.34Å; S87-F91 PolarHBondContact O-N 2.97Å; S87-T92 PolarHBondContact O-N 3.09Å; S87-T92 PolarHBondContact O-OG1 3.38Å; S87-T92 VanDerWaalsContact O-OG1 3.06Å
88R96.4Very high97.2Very high13 Ų1320.5 Ų20.55%0.04910%0.098CC..Iπ-helixtrans-72-55.8178.817663.3-169.268.9-3.7113.9I84 H85 S86 T92 E93 Y106 L110 F113I84-R88 WeakPolarHBondContact O-CB 3.17Å; I84-R88 PolarHBondContact O-N 3.35Å; H85-R88 PolarHBondContact O-N 2.78Å; S86-R88 VanDerWaalsContact C-N 3.31Å; S86-R88 PolarHBondContact O-N 2.89Å; R88-T92 WeakPolarHBondContact O-CB 3.49Å; R88-E93 IonicContact CZ-OE1 2.65Å; R88-E93 IonicContact NH1-OE1 3.74Å; R88-E93 PolarHBondContact NH1-OE1 2.98Å; R88-E93 IonicContact NH2-OE1 3.14Å; R88-E93 PolarHBondContact NH2-OE1 3.15Å; R88-E93 PolarHBondContact O-N 3.02Å; R88-Y106 PolarHBondContact NH2-OH 3.01Å; R88-L110 VanDerWaalsContact NE-CD1 3.31Å; R88-F113 HydrophobicContact CB-CD1 4.11Å; R88-F113 HydrophobicContact CB-CD2 3.57Å; R88-F113 HydrophobicContact CB-CE1 4.06Å; R88-F113 HydrophobicContact CB-CE2 3.52Å; R88-F113 HydrophobicContact CB-CG 3.85Å; R88-F113 HydrophobicContact CB-CZ 3.75Å; R88-F113 HydrophobicContact CG-CB 4.4Å; R88-F113 HydrophobicContact CG-CD1 3.55Å; R88-F113 HydrophobicContact CG-CD2 3.96Å; R88-F113 HydrophobicContact CG-CE1 3.62Å; R88-F113 HydrophobicContact CG-CE2 4.04Å; R88-F113 HydrophobicContact CG-CG 3.7Å; R88-F113 HydrophobicContact CG-CZ 3.86Å
89Y97.9Very high97.2Very high40 Ų4020.6 Ų20.616%0.15711%0.114CC..Iπ-helixtrans-86.6-15.4-165.9-58-48.7000114.1H85 E93 F113 W167 F173H85-Y89 HydrophobicContact CB-CD2 3.94Å; H85-Y89 HydrophobicContact CB-CE2 3.98Å; H85-Y89 WeakPolarHBondContact O-CB 3.33Å; H85-Y89 WeakPolarHBondContact O-CD2 3.48Å; H85-Y89 PolarHBondContact O-N 2.61Å; Y89-E93 WeakPolarHBondContact O-CG 3.37Å; Y89-F113 HydrophobicContact CE1-CE1 4.3Å; Y89-F113 HydrophobicContact CE2-CZ 4.31Å; Y89-F113 AromaticContact CZ-CE1 3.97Å; Y89-W167 AromaticContact CD2-CD1 3.73Å; Y89-W167 AromaticContact CD2-CD2 3.93Å; Y89-W167 HydrophobicContact CD2-CD2 3.93Å; Y89-W167 AromaticContact CD2-CE2 3.54Å; Y89-W167 HydrophobicContact CD2-CG 4.07Å; Y89-W167 HydrophobicContact CD2-CZ2 4.06Å; Y89-W167 AromaticContact CD2-NE1 3.38Å; Y89-W167 AromaticContact CE2-NE1 3.79Å; Y89-W167 HydrophobicContact CG-CD2 4.42Å; Y89-W167 HydrophobicContact CG-CG 4.29Å; Y89-F173 HydrophobicContact CD1-CB 3.72Å; Y89-F173 AromaticContact CD1-CD1 3.77Å; Y89-F173 HydrophobicContact CD1-CD1 3.77Å; Y89-F173 AromaticContact CD1-CD2 3.96Å; Y89-F173 HydrophobicContact CD1-CD2 3.96Å; Y89-F173 HydrophobicContact CD1-CE1 4.38Å; Y89-F173 AromaticContact CD1-CG 3.53Å; Y89-F173 HydrophobicContact CD1-CG 3.53Å; Y89-F173 HydrophobicContact CE1-CB 3.75Å; Y89-F173 HydrophobicContact CE1-CD1 4.3Å; Y89-F173 HydrophobicContact CE1-CG 4.06Å; Y89-F173 HydrophobicContact CG-CB 4.21Å; Y89-F173 AromaticContact CG-CD2 3.97Å; Y89-F173 HydrophobicContact CG-CD2 3.97Å; Y89-F173 AromaticContact CG-CG 4Å; Y89-F173 HydrophobicContact CG-CG 4Å
90C98.3Very high97.2Very high0 Ų020.3 Ų20.30%011%0.113CC..Iπ-helixtrans-113.3-58.1174.7-54.30000111.2S86 N94 L163S86-C90 WeakPolarHBondContact O-CA 3.33Å; S86-C90 WeakPolarHBondContact O-CB 3.42Å; S86-C90 PolarHBondContact O-N 3.35Å; C90-N94 WeakPolarHBondContact O-CB 3.49Å; C90-N94 PolarHBondContact O-N 3.12Å; C90-L163 HydrophobicContact CB-CB 4.3Å; C90-L163 VanDerWaalsContact O-CD1 3.27Å; C90-L163 WeakPolarHBondContact O-CD1 3.34Å
91F97.6Very high97.3Very high20 Ų2020 Ų209%0.08811%0.112CC..Iπ-helixtrans-74.8-51.3-170.7-67.4-79.4000112.8I6 R82 S86 S87 E93 N94 M95 L160I6-F91 HydrophobicContact CD1-CE1 4.41Å; R82-F91 VanDerWaalsContact CZ-CZ 3.44Å; S86-F91 WeakPolarHBondContact O-CD2 3.27Å; S86-F91 PolarHBondContact O-N 3.09Å; S86-F91 VanDerWaalsContact O-N 3.09Å; S87-F91 PolarHBondContact O-N 2.97Å; F91-E93 VanDerWaalsContact C-N 3.34Å; F91-E93 PolarHBondContact O-N 3.46Å; F91-N94 WeakPolarHBondContact O-CB 3.43Å; F91-N94 PolarHBondContact O-N 3.24Å; F91-M95 HydrophobicContact CB-CE 3.68Å; F91-M95 WeakPolarHBondContact O-CE 3.38Å; F91-M95 PolarHBondContact O-N 3.12Å; F91-L160 HydrophobicContact CD1-CD1 4.46Å; F91-L160 HydrophobicContact CD1-CD2 4.05Å; F91-L160 HydrophobicContact CE1-CD1 3.81Å; F91-L160 HydrophobicContact CE1-CD2 4.12Å; F91-L160 HydrophobicContact CZ-CD1 4.43Å
92T97.9Very high97.3Very high2 Ų222.1 Ų22.11%0.01213%0.128CC..Iπ-helixtrans-61.9-41.6178-57.70000111.7S87 R88 M95 H96 I101 Y106 L109S87-T92 PolarHBondContact O-N 3.09Å; S87-T92 PolarHBondContact O-OG1 3.38Å; S87-T92 VanDerWaalsContact O-OG1 3.06Å; R88-T92 WeakPolarHBondContact O-CB 3.49Å; T92-M95 PolarHBondContact O-N 3.11Å; T92-H96 PolarHBondContact O-N 3.26Å; T92-H96 VanDerWaalsContact O-N 3.08Å; T92-I101 HydrophobicContact CG2-CD1 4.36Å; T92-Y106 HydrophobicContact CG2-CD2 3.84Å; T92-Y106 HydrophobicContact CG2-CE2 4.12Å; T92-L109 HydrophobicContact CG2-CB 4.05Å; T92-L109 HydrophobicContact CG2-CD1 3.9Å
93E98.3Very high97.4Very high19 Ų1927 Ų279%0.08916%0.155CC..Hα-helixtrans-58.8-46.5173-70.6-64142.300111.8R88 Y89 F91 M95 H96 N97 Y106 L163 F173R88-E93 IonicContact CZ-OE1 2.65Å; R88-E93 IonicContact NH1-OE1 3.74Å; R88-E93 PolarHBondContact NH1-OE1 2.98Å; R88-E93 IonicContact NH2-OE1 3.14Å; R88-E93 PolarHBondContact NH2-OE1 3.15Å; R88-E93 PolarHBondContact O-N 3.02Å; Y89-E93 WeakPolarHBondContact O-CG 3.37Å; F91-E93 VanDerWaalsContact C-N 3.34Å; F91-E93 PolarHBondContact O-N 3.46Å; E93-M95 PolarHBondContact O-N 3.27Å; E93-H96 PolarHBondContact O-N 3.5Å; E93-N97 WeakPolarHBondContact O-CB 3.29Å; E93-N97 PolarHBondContact O-N 2.88Å; E93-N97 PolarHBondContact O-ND2 3.34Å; E93-Y106 WeakPolarHBondContact OE1-CE2 3.25Å; E93-Y106 PolarHBondContact OE1-OH 3.19Å; E93-L163 HydrophobicContact CB-CD1 4.1Å; E93-L163 HydrophobicContact CB-CD2 3.87Å; E93-F173 HydrophobicContact CG-CE1 3.98Å; E93-F173 HydrophobicContact CG-CZ 3.85Å
94N98.2Very high97.5Very high2 Ų230 Ų301%0.01118%0.179CC..Hα-helixtrans-60.8-44.2178.6-172.878.6000112.6C90 F91 H96 N97 N98 Y156 D159 L160 L163C90-N94 WeakPolarHBondContact O-CB 3.49Å; C90-N94 PolarHBondContact O-N 3.12Å; F91-N94 WeakPolarHBondContact O-CB 3.43Å; F91-N94 PolarHBondContact O-N 3.24Å; N94-H96 VanDerWaalsContact C-N 3.27Å; N94-H96 PolarHBondContact O-N 3.28Å; N94-N97 PolarHBondContact O-N 2.9Å; N94-N98 PolarHBondContact ND2-ND2 3.36Å; N94-N98 WeakPolarHBondContact O-CB 3.38Å; N94-N98 PolarHBondContact O-N 3.33Å; N94-N98 PolarHBondContact O-OD1 2.84Å; N94-Y156 WeakPolarHBondContact ND2-CE2 3.3Å; N94-D159 WeakPolarHBondContact OD1-CB 3.48Å; N94-L160 HydrophobicContact CB-CD2 3.94Å; N94-L163 HydrophobicContact CB-CD1 3.59Å
95M97.9Very high97.6Very high3 Ų332.9 Ų32.92%0.01520%0.195CC..Hα-helixtrans-61.1-36.3177.4-84.8168.6-104.800112.6S54 Q58 F91 T92 E93 N98 G99 S100 I101S54-M95 VanDerWaalsContact CB-SD 3.51Å; Q58-M95 HydrophobicContact CG-CE 3.31Å; Q58-M95 HydrophobicContact CG-SD 3.52Å; Q58-M95 VanDerWaalsContact CG-SD 3.52Å; F91-M95 HydrophobicContact CB-CE 3.68Å; F91-M95 WeakPolarHBondContact O-CE 3.38Å; F91-M95 PolarHBondContact O-N 3.12Å; T92-M95 PolarHBondContact O-N 3.11Å; E93-M95 PolarHBondContact O-N 3.27Å; M95-N98 WeakPolarHBondContact CA-OD1 3.35Å; M95-N98 PolarHBondContact O-OD1 2.61Å; M95-G99 PolarHBondContact O-N 2.83Å; M95-S100 PolarHBondContact O-N 2.6Å; M95-I101 HydrophobicContact CB-CD1 3.94Å; M95-I101 HydrophobicContact CB-CG1 3.99Å; M95-I101 HydrophobicContact CB-CG2 4.12Å; M95-I101 PolarHBondContact O-N 2.96Å; M95-I101 VanDerWaalsContact O-N 3.16Å
96H98.2Very high97.7Very high46 Ų4634.2 Ų34.221%0.21320%0.2CC..Hα-helixtrans-73.4-49.4176.2-176.3-135.2000110.8T92 E93 N94 N98 G99 I101 D103 Y106T92-H96 PolarHBondContact O-N 3.26Å; T92-H96 VanDerWaalsContact O-N 3.08Å; E93-H96 PolarHBondContact O-N 3.5Å; N94-H96 VanDerWaalsContact C-N 3.27Å; N94-H96 PolarHBondContact O-N 3.28Å; H96-N98 VanDerWaalsContact C-N 3.26Å; H96-N98 PolarHBondContact O-N 2.9Å; H96-G99 PolarHBondContact O-N 2.71Å; H96-I101 HydrophobicContact CB-CD1 4.28Å; H96-I101 HydrophobicContact CB-CG1 4.18Å; H96-D103 IonicContact CD2-OD1 3.34Å; H96-D103 IonicContact CE1-OD1 3.6Å; H96-D103 IonicContact NE2-OD1 3.68Å; H96-D103 PolarHBondContact NE2-OD1 2.94Å; H96-Y106 HydrophobicContact CB-CD2 3.55Å; H96-Y106 HydrophobicContact CB-CE2 4.06Å; H96-Y106 HydrophobicContact CB-CG 4.04Å; H96-Y106 AromaticContact CG-CD2 3.69Å; H96-Y106 AromaticContact CG-CG 3.7Å; H96-Y106 AromaticContact ND1-CD1 3.93Å; H96-Y106 AromaticContact ND1-CD2 3.85Å; H96-Y106 AromaticContact ND1-CE2 3.97Å; H96-Y106 AromaticContact ND1-CG 3.8Å
97N98Very high97.8Very high109 Ų10940.4 Ų40.458%0.58323%0.228SC*.Hα-helixtrans-58.3-36.4-179.6-70.6-17.8000113.2E93 N94E93-N97 WeakPolarHBondContact O-CB 3.29Å; E93-N97 PolarHBondContact O-N 2.88Å; E93-N97 PolarHBondContact O-ND2 3.34Å; N94-N97 PolarHBondContact O-N 2.9Å
98N96.6Very high97.9Very high64 Ų6445.1 Ų45.134%0.34225%0.25SS..THydrogen-bonded Turntrans-91.24.3-179.578.25000113.8Q50 N94 M95 H96 S100Q50-N98 PolarHBondContact OE1-ND2 3.27Å; N94-N98 PolarHBondContact ND2-ND2 3.36Å; N94-N98 WeakPolarHBondContact O-CB 3.38Å; N94-N98 PolarHBondContact O-N 3.33Å; N94-N98 PolarHBondContact O-OD1 2.84Å; M95-N98 WeakPolarHBondContact CA-OD1 3.35Å; M95-N98 PolarHBondContact O-OD1 2.61Å; H96-N98 VanDerWaalsContact C-N 3.26Å; H96-N98 PolarHBondContact O-N 2.9Å; N98-S100 VanDerWaalsContact C-N 3.29Å; N98-S100 PolarHBondContact ND2-OG 3.21Å; N98-S100 PolarHBondContact O-N 2.89Å; N98-S100 WeakPolarHBondContact OD1-CB 3.28Å; N98-S100 PolarHBondContact OD1-N 3.28Å; N98-S100 PolarHBondContact OD1-OG 2.81Å
99G97.2Very high97.9Very high50 Ų5044.8 Ų44.852%0.51525%0.249SC..THydrogen-bonded Turntrans70.718.1178.800000114.9M95 H96 I101M95-G99 PolarHBondContact O-N 2.83Å; H96-G99 PolarHBondContact O-N 2.71Å; G99-I101 VanDerWaalsContact C-N 3.29Å
100S97.1Very high97.9Very high12 Ų1245 Ų458%0.08425%0.253CS..SBendtrans-73.7-21.9174.6-630000112.9Q50 R51 M95 N98Q50-S100 WeakPolarHBondContact CB-OG 3.43Å; Q50-S100 PolarHBondContact OE1-OG 3.23Å; R51-S100 WeakPolarHBondContact CA-O 3.19Å; M95-S100 PolarHBondContact O-N 2.6Å; N98-S100 VanDerWaalsContact C-N 3.29Å; N98-S100 PolarHBondContact ND2-OG 3.21Å; N98-S100 PolarHBondContact O-N 2.89Å; N98-S100 WeakPolarHBondContact OD1-CB 3.28Å; N98-S100 PolarHBondContact OD1-N 3.28Å; N98-S100 PolarHBondContact OD1-OG 2.81Å
101I98.2Very high97.8Very high9 Ų950.7 Ų50.75%0.04628%0.278CS..SBendtrans-128.4151.1172.166.8177.6000109.6S54 V55 T92 M95 H96 G99 D105 Y106 L109S54-I101 VanDerWaalsContact CB-CG2 3.47Å; V55-I101 HydrophobicContact CG2-CB 4.47Å; V55-I101 HydrophobicContact CG2-CG2 3.78Å; T92-I101 HydrophobicContact CG2-CD1 4.36Å; M95-I101 HydrophobicContact CB-CD1 3.94Å; M95-I101 HydrophobicContact CB-CG1 3.99Å; M95-I101 HydrophobicContact CB-CG2 4.12Å; M95-I101 PolarHBondContact O-N 2.96Å; M95-I101 VanDerWaalsContact O-N 3.16Å; H96-I101 HydrophobicContact CB-CD1 4.28Å; H96-I101 HydrophobicContact CB-CG1 4.18Å; G99-I101 VanDerWaalsContact C-N 3.29Å; I101-D105 HydrophobicContact CB-CB 3.8Å; I101-D105 HydrophobicContact CG1-CB 4.48Å; I101-Y106 HydrophobicContact CD1-CD2 4.41Å; I101-L109 HydrophobicContact CD1-CD1 3.99Å
102S98.2Very high97.8Very high57 Ų5753.5 Ų53.540%0.39929%0.293SS..  trans-74.8167.3175.5680000111.9A104 D105 Y106S102-A104 PolarHBondContact O-N 2.6Å; S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.39Å; S102-D105 PolarHBondContact O-N 2.87Å; S102-D105 PolarHBondContact OG-N 3.22Å; S102-D105 VanDerWaalsContact OG-N 3.16Å; S102-D105 PolarHBondContact OG-OD2 3.08Å; S102-Y106 PolarHBondContact O-N 3.47Å
103D98.5Very high97.7Very high110 Ų11053.6 Ų53.659%0.58829%0.293SS*.Hα-helixtrans-56.8-39.7171.9-64.3-26.9000111.4H96 Y106 E107H96-D103 IonicContact CD2-OD1 3.34Å; H96-D103 IonicContact CE1-OD1 3.6Å; H96-D103 IonicContact NE2-OD1 3.68Å; H96-D103 PolarHBondContact NE2-OD1 2.94Å; D103-Y106 PolarHBondContact O-N 3.41Å; D103-E107 WeakPolarHBondContact O-CB 3.35Å; D103-E107 WeakPolarHBondContact O-CG 3.49Å; D103-E107 PolarHBondContact O-N 3.42Å
104A98.3Very high97.5Very high62 Ų6258 Ų5851%0.51231%0.314SS..Hα-helixtrans-65.5-4217800000112.3S102 Y106 E107 E108S102-A104 PolarHBondContact O-N 2.6Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; A104-E107 PolarHBondContact O-N 3.27Å; A104-E108 PolarHBondContact O-N 3.5Å; A104-E108 VanDerWaalsContact O-N 3.11Å
105D98Very high97.5Very high62 Ų6264.8 Ų64.833%0.33234%0.339SS..Hα-helixtrans-62.4-43.1174.9-66-51000111.2V55 I101 S102 E108 L109V55-D105 HydrophobicContact CG2-CB 3.8Å; I101-D105 HydrophobicContact CB-CB 3.8Å; I101-D105 HydrophobicContact CG1-CB 4.48Å; S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.39Å; S102-D105 PolarHBondContact O-N 2.87Å; S102-D105 PolarHBondContact OG-N 3.22Å; S102-D105 VanDerWaalsContact OG-N 3.16Å; S102-D105 PolarHBondContact OG-OD2 3.08Å; D105-E108 PolarHBondContact O-N 3.46Å; D105-L109 WeakPolarHBondContact O-CG 2.98Å; D105-L109 PolarHBondContact O-N 3.37Å
106Y98.3Very high97.3Very high37 Ų3765 Ų6515%0.14534%0.34CS..Hα-helixtrans-62.3-46.3178173.8-100.6000111.8R88 T92 E93 H96 I101 S102 D103 A104 E108 L109 L110R88-Y106 PolarHBondContact NH2-OH 3.01Å; T92-Y106 HydrophobicContact CG2-CD2 3.84Å; T92-Y106 HydrophobicContact CG2-CE2 4.12Å; E93-Y106 WeakPolarHBondContact OE1-CE2 3.25Å; E93-Y106 PolarHBondContact OE1-OH 3.19Å; H96-Y106 HydrophobicContact CB-CD2 3.55Å; H96-Y106 HydrophobicContact CB-CE2 4.06Å; H96-Y106 HydrophobicContact CB-CG 4.04Å; H96-Y106 AromaticContact CG-CD2 3.69Å; H96-Y106 AromaticContact CG-CG 3.7Å; H96-Y106 AromaticContact ND1-CD1 3.93Å; H96-Y106 AromaticContact ND1-CD2 3.85Å; H96-Y106 AromaticContact ND1-CE2 3.97Å; H96-Y106 AromaticContact ND1-CG 3.8Å; I101-Y106 HydrophobicContact CD1-CD2 4.41Å; S102-Y106 PolarHBondContact O-N 3.47Å; D103-Y106 PolarHBondContact O-N 3.41Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-E108 PolarHBondContact O-N 3.45Å; Y106-L109 PolarHBondContact O-N 2.85Å; Y106-L110 WeakPolarHBondContact O-CB 3.06Å; Y106-L110 PolarHBondContact O-N 3.44Å
107E98.3Very high97Very high129 Ų12966.1 Ų66.160%0.60335%0.348SS*.Hα-helixtrans-60.4-42.6177.7-76.2-178.2178.700112.2D103 A104 L110 K111D103-E107 WeakPolarHBondContact O-CB 3.35Å; D103-E107 WeakPolarHBondContact O-CG 3.49Å; D103-E107 PolarHBondContact O-N 3.42Å; A104-E107 PolarHBondContact O-N 3.27Å; E107-L110 PolarHBondContact O-N 3.17Å; E107-K111 WeakPolarHBondContact O-CB 3.2Å; E107-K111 PolarHBondContact O-N 3.2Å
108E97.7Very high96.9Very high102 Ų10269.4 Ų69.448%0.47736%0.357SS..Hα-helixtrans-67.3-40.5177.1-74.3-60.8139.600112.1A104 D105 Y106 L110 K111 I112A104-E108 PolarHBondContact O-N 3.5Å; A104-E108 VanDerWaalsContact O-N 3.11Å; D105-E108 PolarHBondContact O-N 3.46Å; Y106-E108 PolarHBondContact O-N 3.45Å; E108-L110 PolarHBondContact O-N 3.47Å; E108-K111 PolarHBondContact O-N 2.63Å; E108-K111 IonicContact OE1-NZ 2.6Å; E108-K111 PolarHBondContact OE1-NZ 3Å; E108-K111 IonicContact OE2-NZ 3.39Å; E108-I112 VanDerWaalsContact O-CG1 3.3Å; E108-I112 WeakPolarHBondContact O-CG1 3.5Å; E108-I112 PolarHBondContact O-N 2.97Å
109L97.5Very high96.9Very high5 Ų570.3 Ų70.33%0.02636%0.361CS..Hα-helixtrans-63.4-40.7173.8-72174.8000112.1Q58 L62 T92 I101 D105 Y106 I112 F113Q58-L109 HydrophobicContact CB-CD1 4.29Å; Q58-L109 HydrophobicContact CB-CD2 4.19Å; L62-L109 HydrophobicContact CD1-CD2 4.23Å; T92-L109 HydrophobicContact CG2-CB 4.05Å; T92-L109 HydrophobicContact CG2-CD1 3.9Å; I101-L109 HydrophobicContact CD1-CD1 3.99Å; D105-L109 WeakPolarHBondContact O-CG 2.98Å; D105-L109 PolarHBondContact O-N 3.37Å; Y106-L109 PolarHBondContact O-N 2.85Å; L109-I112 PolarHBondContact O-N 3.39Å; L109-F113 WeakPolarHBondContact O-CB 3.44Å; L109-F113 PolarHBondContact O-N 2.84Å
110L96.8Very high96.7Very high44 Ų4472.9 Ų72.923%0.2336%0.359CS..Hα-helixtrans-62.8-44.2175.4171.658.5000111.3R88 Y106 E107 E108 I112 F113 Q114R88-L110 VanDerWaalsContact NE-CD1 3.31Å; Y106-L110 WeakPolarHBondContact O-CB 3.06Å; Y106-L110 PolarHBondContact O-N 3.44Å; E107-L110 PolarHBondContact O-N 3.17Å; E108-L110 PolarHBondContact O-N 3.47Å; L110-I112 PolarHBondContact O-N 2.93Å; L110-F113 PolarHBondContact O-N 3.03Å; L110-Q114 HydrophobicContact CD1-CG 3.95Å; L110-Q114 HydrophobicContact CG-CG 4.43Å; L110-Q114 WeakPolarHBondContact O-CG 3.49Å; L110-Q114 PolarHBondContact O-N 3.39Å
111K97.3Very high96.4Very high121 Ų12176.8 Ų76.853%0.52639%0.386SS..Hα-helixtrans-61.3-42.4177.1-177.6-176.2176.6-1730112E107 E108 Q114 W115E107-K111 WeakPolarHBondContact O-CB 3.2Å; E107-K111 PolarHBondContact O-N 3.2Å; E108-K111 PolarHBondContact O-N 2.63Å; E108-K111 IonicContact OE1-NZ 2.6Å; E108-K111 PolarHBondContact OE1-NZ 3Å; E108-K111 IonicContact OE2-NZ 3.39Å; K111-Q114 PolarHBondContact O-N 3.38Å; K111-W115 WeakPolarHBondContact O-CB 3.34Å; K111-W115 PolarHBondContact O-N 3.21Å
112I96.6Very high96Very high78 Ų7877.4 Ų77.440%0.439%0.39SS..Hα-helixtrans-59.6-48.8173.4-69.6164.8000110.1L62 E108 L109 L110 Q114 W115 I116L62-I112 HydrophobicContact CD1-CG2 4.19Å; E108-I112 VanDerWaalsContact O-CG1 3.3Å; E108-I112 WeakPolarHBondContact O-CG1 3.5Å; E108-I112 PolarHBondContact O-N 2.97Å; L109-I112 PolarHBondContact O-N 3.39Å; L110-I112 PolarHBondContact O-N 2.93Å; I112-Q114 PolarHBondContact O-N 2.97Å; I112-W115 WeakPolarHBondContact O-CB 3.33Å; I112-W115 PolarHBondContact O-N 3.06Å; I112-I116 HydrophobicContact CG2-CD1 3.93Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 2.86Å
113F95.6Very high95.7Very high5 Ų578.2 Ų78.22%0.02239%0.394CS..Hα-helixtrans-60.7-45.7179.7179.4-99.9000112.5I84 H85 R88 Y89 L109 L110 W115 I116 L117I84-F113 HydrophobicContact CB-CE2 4.16Å; I84-F113 HydrophobicContact CD1-CD2 4.44Å; I84-F113 HydrophobicContact CD1-CE2 3.9Å; I84-F113 HydrophobicContact CG1-CE2 4.03Å; I84-F113 WeakPolarHBondContact O-CE2 3.49Å; H85-F113 AromaticContact ND1-CZ 3.81Å; R88-F113 HydrophobicContact CB-CD1 4.11Å; R88-F113 HydrophobicContact CB-CD2 3.57Å; R88-F113 HydrophobicContact CB-CE1 4.06Å; R88-F113 HydrophobicContact CB-CE2 3.52Å; R88-F113 HydrophobicContact CB-CG 3.85Å; R88-F113 HydrophobicContact CB-CZ 3.75Å; R88-F113 HydrophobicContact CG-CB 4.4Å; R88-F113 HydrophobicContact CG-CD1 3.55Å; R88-F113 HydrophobicContact CG-CD2 3.96Å; R88-F113 HydrophobicContact CG-CE1 3.62Å; R88-F113 HydrophobicContact CG-CE2 4.04Å; R88-F113 HydrophobicContact CG-CG 3.7Å; R88-F113 HydrophobicContact CG-CZ 3.86Å; Y89-F113 HydrophobicContact CE1-CE1 4.3Å; Y89-F113 HydrophobicContact CE2-CZ 4.31Å; Y89-F113 AromaticContact CZ-CE1 3.97Å; L109-F113 WeakPolarHBondContact O-CB 3.44Å; L109-F113 PolarHBondContact O-N 2.84Å; L110-F113 PolarHBondContact O-N 3.03Å; F113-W115 VanDerWaalsContact C-N 3.33Å; F113-W115 PolarHBondContact O-N 2.93Å; F113-I116 WeakPolarHBondContact O-CB 3.46Å; F113-I116 PolarHBondContact O-N 3.46Å; F113-L117 HydrophobicContact CD1-CD1 4.07Å; F113-L117 HydrophobicContact CD1-CG 4.38Å; F113-L117 HydrophobicContact CE1-CD1 3.34Å; F113-L117 HydrophobicContact CE1-CG 3.95Å; F113-L117 HydrophobicContact CE2-CD2 4.46Å; F113-L117 HydrophobicContact CE2-CG 4.42Å; F113-L117 HydrophobicContact CZ-CD1 3.62Å; F113-L117 HydrophobicContact CZ-CD2 4.2Å; F113-L117 HydrophobicContact CZ-CG 3.99Å; F113-L117 PolarHBondContact O-N 3.42Å
114Q95.2Very high95.5Very high112 Ų11274 Ų7452%0.52337%0.372SS..Hα-helixtrans-61.2-41.4175.8-73.1176.2-3.200111.8L110 K111 I112 I116 L117 K118L110-Q114 HydrophobicContact CD1-CG 3.95Å; L110-Q114 HydrophobicContact CG-CG 4.43Å; L110-Q114 WeakPolarHBondContact O-CG 3.49Å; L110-Q114 PolarHBondContact O-N 3.39Å; K111-Q114 PolarHBondContact O-N 3.38Å; I112-Q114 PolarHBondContact O-N 2.97Å; Q114-I116 VanDerWaalsContact C-N 3.32Å; Q114-I116 PolarHBondContact O-N 2.94Å; Q114-L117 PolarHBondContact O-N 3.46Å; Q114-K118 WeakPolarHBondContact O-CB 3.13Å; Q114-K118 PolarHBondContact O-N 2.86Å
115W97.1Very high95.4Very high144 Ų14478 Ų7855%0.54539%0.385SS..Hα-helixtrans-61.5-41.8175.3-176.795.7000111.4K111 I112 F113 K118 N119K111-W115 WeakPolarHBondContact O-CB 3.34Å; K111-W115 PolarHBondContact O-N 3.21Å; I112-W115 WeakPolarHBondContact O-CB 3.33Å; I112-W115 PolarHBondContact O-N 3.06Å; F113-W115 VanDerWaalsContact C-N 3.33Å; F113-W115 PolarHBondContact O-N 2.93Å; W115-K118 PolarHBondContact O-N 3.04Å; W115-N119 HydrophobicContact CD2-CB 4.44Å; W115-N119 HydrophobicContact CH2-CB 4.43Å; W115-N119 HydrophobicContact CZ2-CB 4.24Å; W115-N119 PolarHBondContact NE1-ND2 3.06Å; W115-N119 WeakPolarHBondContact O-CB 3.45Å; W115-N119 PolarHBondContact O-N 2.93Å; W115-N119 PolarHBondContact O-ND2 2.72Å
116I95.4Very high95.4Very high7 Ų778.2 Ų78.24%0.03639%0.386CS..Hα-helixtrans-59.6-53.3176.1-69.2167000110.2L66 I84 I112 F113 Q114 K118 N119 K120L66-I116 HydrophobicContact CD1-CG2 3.6Å; L66-I116 HydrophobicContact CD2-CD1 4.05Å; L66-I116 HydrophobicContact CD2-CG1 3.96Å; L66-I116 HydrophobicContact CD2-CG2 4.03Å; L66-I116 HydrophobicContact CG-CG2 4.38Å; I84-I116 HydrophobicContact CD1-CG2 3.82Å; I112-I116 HydrophobicContact CG2-CD1 3.93Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 2.86Å; F113-I116 WeakPolarHBondContact O-CB 3.46Å; F113-I116 PolarHBondContact O-N 3.46Å; Q114-I116 VanDerWaalsContact C-N 3.32Å; Q114-I116 PolarHBondContact O-N 2.94Å; I116-K118 PolarHBondContact O-N 3.35Å; I116-N119 PolarHBondContact O-N 3.46Å; I116-N119 VanDerWaalsContact O-N 3.17Å; I116-K120 HydrophobicContact CG2-CB 4.43Å; I116-K120 WeakPolarHBondContact O-CB 3.42Å; I116-K120 PolarHBondContact O-N 2.84Å
117L92Very high95.4Very high70 Ų7076.5 Ų76.537%0.36638%0.379SS..Hα-helixtrans-61.4-33.5-178.9-66.7-171.1000113I84 F113 Q114 V122I84-L117 HydrophobicContact CD1-CD2 3.76Å; F113-L117 HydrophobicContact CD1-CD1 4.07Å; F113-L117 HydrophobicContact CD1-CG 4.38Å; F113-L117 HydrophobicContact CE1-CD1 3.34Å; F113-L117 HydrophobicContact CE1-CG 3.95Å; F113-L117 HydrophobicContact CE2-CD2 4.46Å; F113-L117 HydrophobicContact CE2-CG 4.42Å; F113-L117 HydrophobicContact CZ-CD1 3.62Å; F113-L117 HydrophobicContact CZ-CD2 4.2Å; F113-L117 HydrophobicContact CZ-CG 3.99Å; F113-L117 PolarHBondContact O-N 3.42Å; Q114-L117 PolarHBondContact O-N 3.46Å; L117-V122 HydrophobicContact CD2-CG2 3.86Å
118K94.7Very high95.4Very high177 Ų17771 Ų7177%0.7735%0.354SS*.Hα-helixtrans-72.6-34.3177.9-177.3177.1178.5-179.80112.9Q114 W115 I116Q114-K118 WeakPolarHBondContact O-CB 3.13Å; Q114-K118 PolarHBondContact O-N 2.86Å; W115-K118 PolarHBondContact O-N 3.04Å; I116-K118 PolarHBondContact O-N 3.35Å
119N95.9Very high95.4Very high83 Ų8366.2 Ų66.244%0.44433%0.332SS..Hα-helixtrans-114.1-11.2-166.4-64.8-81.3000114.6W115 I116W115-N119 HydrophobicContact CD2-CB 4.44Å; W115-N119 HydrophobicContact CH2-CB 4.43Å; W115-N119 HydrophobicContact CZ2-CB 4.24Å; W115-N119 PolarHBondContact NE1-ND2 3.06Å; W115-N119 WeakPolarHBondContact O-CB 3.45Å; W115-N119 PolarHBondContact O-N 2.93Å; W115-N119 PolarHBondContact O-ND2 2.72Å; I116-N119 PolarHBondContact O-N 3.46Å; I116-N119 VanDerWaalsContact O-N 3.17Å
120K93.8Very high95.4Very high105 Ų10566.8 Ų66.846%0.45734%0.335SS..SBendtrans-128.9137.6-176.4-62-64.7179.7-176.40110.8L66 I116L66-K120 HydrophobicContact CD1-CB 4.14Å; L66-K120 HydrophobicContact CD1-CG 4.42Å; I116-K120 HydrophobicContact CG2-CB 4.43Å; I116-K120 WeakPolarHBondContact O-CB 3.42Å; I116-K120 PolarHBondContact O-N 2.84Å
121S90.6Very high95.5Very high94 Ų9468.3 Ų68.366%0.65734%0.337SS*.  trans-76124.6168.5-172.60000109.3
122V90.1Very high95.5Very high21 Ų2162.6 Ų62.613%0.12731%0.313CS..  trans-128.871176.3-76.20000107.9L66 Q69 I84 L117 V124L66-V122 HydrophobicContact CD1-CG1 3.65Å; Q69-V122 HydrophobicContact CB-CG1 4.35Å; I84-V122 HydrophobicContact CD1-CB 4.33Å; I84-V122 HydrophobicContact CD1-CG1 4Å; I84-V122 HydrophobicContact CD1-CG2 4.04Å; L117-V122 HydrophobicContact CD2-CG2 3.86Å; V122-V124 PolarHBondContact O-N 3.39Å
123P90.8Very high95.5Very high74 Ų7460.8 Ų60.848%0.48131%0.307SS..  trans-64.1138-16926.3-34.1000111.6
124V95.1Very high95.7Very high21 Ų2161.5 Ų61.513%0.12731%0.312CS..  trans-137.2116.2175.6-173.20000108.2M1 V122 I127 P177 A178M1-V124 HydrophobicContact CE-CB 4.33Å; M1-V124 HydrophobicContact CE-CG1 3.49Å; M1-V124 VanDerWaalsContact CE-CG1 3.49Å; M1-V124 HydrophobicContact CE-CG2 3.84Å; M1-V124 HydrophobicContact CG-CG1 4.03Å; M1-V124 HydrophobicContact CG-CG2 4.33Å; M1-V124 HydrophobicContact SD-CB 4.22Å; M1-V124 HydrophobicContact SD-CG1 3.77Å; M1-V124 HydrophobicContact SD-CG2 3.35Å; M1-V124 WeakPolarHBondContact SD-CG2 3.43Å; V122-V124 PolarHBondContact O-N 3.39Å; V124-I127 HydrophobicContact CG1-CG1 4.13Å; V124-P177 HydrophobicContact CB-CB 4.41Å; V124-P177 HydrophobicContact CB-CG 4.48Å; V124-P177 HydrophobicContact CG2-CG 4.44Å; V124-A178 HydrophobicContact CB-CB 4.12Å; V124-A178 HydrophobicContact CG1-CB 3.6Å; V124-A178 VanDerWaalsContact O-CB 3.3Å; V124-A178 WeakPolarHBondContact O-CB 3.5Å
125D96.8Very high95.8Very high146 Ų14659.6 Ų59.678%0.78131%0.309SS*.SBendtrans-94.3-25.2177.2-50-71.2000112.5
126L97.8Very high95.8Very high68 Ų6854.5 Ų54.536%0.35629%0.293SS..  trans-157.7139.6-177-175.166.8000111.7M1 V128 P179 L181M1-L126 PolarHBondContact N-O 3.46Å; L126-V128 HydrophobicContact CD2-CG2 4.19Å; L126-V128 HydrophobicContact CG-CG2 4.42Å; L126-P179 HydrophobicContact CD1-CB 4.36Å; L126-L181 HydrophobicContact CD1-CD1 4.23Å; L126-L181 HydrophobicContact CD1-CG 4.11Å; L126-L181 HydrophobicContact CD2-CD1 4.06Å
127I98.2Very high95.9Very high0 Ų054.2 Ų54.20%029%0.292CS..EExtended strand (participates in β ladder)trans-104.6125.1168.2-50.1-179000108.8M1 E3 V124 L168 L176 P177 A178 P179 I180 L181M1-I127 HydrophobicContact CE-CD1 4.25Å; M1-I127 HydrophobicContact CE-CG1 3.93Å; E3-I127 HydrophobicContact CB-CG2 4.46Å; E3-I127 HydrophobicContact CG-CG2 3.9Å; V124-I127 HydrophobicContact CG1-CG1 4.13Å; I127-L168 HydrophobicContact CD1-CD2 4.35Å; I127-L168 HydrophobicContact CG2-CD2 4.01Å; I127-L176 HydrophobicContact CD1-CB 4.3Å; I127-L176 HydrophobicContact CD1-CD2 4.44Å; I127-P177 HydrophobicContact CD1-CG 4.15Å; I127-A178 HydrophobicContact CG1-CB 4.23Å; I127-P179 PolarHBondContact N-O 3.11Å; I127-I180 HydrophobicContact CB-CB 4.33Å; I127-I180 HydrophobicContact CB-CG1 4.28Å; I127-I180 HydrophobicContact CG2-CG1 4.36Å; I127-I180 CarbonylContact O-C 3.59Å; I127-I180 WeakPolarHBondContact O-CA 3.38Å; I127-L181 PolarHBondContact O-N 3.16Å
128V98.1Very high96.2Very high15 Ų1553.4 Ų53.49%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-105.8112.6169.7176.20000107.4M1 V2 E3 F13 L126 L130 L181 F183M1-V128 PolarHBondContact O-N 2.84Å; V2-V128 CarbonylContact C-O 3.55Å; V2-V128 WeakPolarHBondContact CA-O 3.41Å; V2-V128 HydrophobicContact CG2-CB 4.34Å; E3-V128 PolarHBondContact N-O 2.77Å; F13-V128 HydrophobicContact CE1-CG1 4.2Å; F13-V128 HydrophobicContact CE2-CG1 4.46Å; F13-V128 HydrophobicContact CZ-CG1 3.87Å; L126-V128 HydrophobicContact CD2-CG2 4.19Å; L126-V128 HydrophobicContact CG-CG2 4.42Å; V128-L130 HydrophobicContact CG1-CD2 3.97Å; V128-L181 CarbonylContact C-O 3.56Å; V128-L181 WeakPolarHBondContact CA-O 3.41Å; V128-F183 HydrophobicContact CG1-CD2 4.01Å; V128-F183 HydrophobicContact CG1-CE2 3.92Å
129Y98.3Very high96.3Very high1 Ų150.7 Ų50.70%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-100.5110.2178179.1-142.7000110.7R131 H164 E165 L168 I169 L181 S182 F183Y129-R131 HydrophobicContact CD1-CB 4.06Å; Y129-R131 HydrophobicContact CD1-CG 4.45Å; Y129-R131 HydrophobicContact CE1-CB 3.69Å; Y129-R131 HydrophobicContact CE1-CG 3.65Å; Y129-R131 PolarHBondContact O-N 2.65Å; Y129-H164 HydrophobicContact CE2-CB 3.9Å; Y129-H164 WeakPolarHBondContact OH-CB 3.22Å; Y129-E165 WeakPolarHBondContact CE1-OE1 3.24Å; Y129-E165 PolarHBondContact OH-OE1 2.91Å; Y129-L168 HydrophobicContact CD1-CB 4.26Å; Y129-L168 HydrophobicContact CD1-CD1 4.08Å; Y129-L168 HydrophobicContact CD2-CD1 3.42Å; Y129-L168 VanDerWaalsContact CD2-CD1 3.42Å; Y129-L168 HydrophobicContact CE1-CD1 4.47Å; Y129-L168 HydrophobicContact CE2-CD1 3.87Å; Y129-L168 HydrophobicContact CG-CB 4.49Å; Y129-L168 HydrophobicContact CG-CD1 3.56Å; Y129-I169 HydrophobicContact CD1-CD1 4.09Å; Y129-I169 HydrophobicContact CE1-CD1 4.24Å; Y129-I169 HydrophobicContact CE1-CG1 4.25Å; Y129-L181 PolarHBondContact N-O 3.29Å; Y129-S182 WeakPolarHBondContact O-CA 3.21Å; Y129-F183 PolarHBondContact O-N 3.06Å
130L98Very high96.3Very high17 Ų1751 Ų519%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-85.794.6173.2-56.4-175.9000108.8V2 E3 K10 F13 V128 F183V2-L130 HydrophobicContact CG1-CD1 3.71Å; V2-L130 HydrophobicContact CG1-CG 3.92Å; E3-L130 PolarHBondContact O-N 3.06Å; K10-L130 HydrophobicContact CB-CD1 4.43Å; K10-L130 HydrophobicContact CG-CD1 4.12Å; F13-L130 HydrophobicContact CB-CD1 3.63Å; F13-L130 HydrophobicContact CD1-CD1 4.38Å; F13-L130 HydrophobicContact CD2-CD1 4.29Å; F13-L130 HydrophobicContact CD2-CD2 3.92Å; F13-L130 HydrophobicContact CE2-CD2 4.15Å; F13-L130 HydrophobicContact CG-CD1 3.87Å; F13-L130 HydrophobicContact CG-CD2 4.26Å; V128-L130 HydrophobicContact CG1-CD2 3.97Å; L130-F183 HydrophobicContact CD2-CB 4.49Å; L130-F183 HydrophobicContact CD2-CD2 4.33Å
131R97.8Very high96.4Very high75 Ų7546.2 Ų46.228%0.28325%0.25SC..EExtended strand (participates in β ladder)trans-88.9116.7-175.6-167.8174.8-176.7-143.1-1.4109.2Y129 E165 F183 F184 S185Y129-R131 HydrophobicContact CD1-CB 4.06Å; Y129-R131 HydrophobicContact CD1-CG 4.45Å; Y129-R131 HydrophobicContact CE1-CB 3.69Å; Y129-R131 HydrophobicContact CE1-CG 3.65Å; Y129-R131 PolarHBondContact O-N 2.65Å; R131-E165 WeakPolarHBondContact CD-OE1 3.49Å; R131-E165 IonicContact CZ-OE1 3.55Å; R131-E165 IonicContact CZ-OE2 3.59Å; R131-E165 VanDerWaalsContact NE-CD 3.28Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 PolarHBondContact NE-OE1 3.14Å; R131-E165 IonicContact NE-OE2 2.61Å; R131-E165 PolarHBondContact NE-OE2 2.86Å; R131-E165 IonicContact NH2-OE1 3.7Å; R131-E165 IonicContact NH2-OE2 2.63Å; R131-E165 PolarHBondContact NH2-OE2 3.2Å; R131-F183 WeakPolarHBondContact CB-O 3.08Å; R131-F183 PolarHBondContact N-O 3.02Å; R131-F184 HydrophobicContact CB-CD2 4.39Å; R131-F184 HydrophobicContact CG-CD2 4.04Å; R131-F184 HydrophobicContact CG-CE2 4.33Å; R131-F184 WeakPolarHBondContact O-CA 3.47Å; R131-S185 PolarHBondContact O-N 3.29Å
132A97.4Very high96.6Very high1 Ų146.5 Ų46.51%0.00824%0.236CC..  trans-137.4148.8176.100000108.6C8 V136 H161C8-A132 HydrophobicContact CB-CB 4.03Å; A132-V136 HydrophobicContact CB-CG1 4.31Å; A132-H161 PolarHBondContact O-ND1 3.48Å
133S97.7Very high96.8Very high40 Ų4049.7 Ų49.728%0.2827%0.265SS..  trans-64.4153.3178.572.60000111.1T135 V136 C137S133-T135 PolarHBondContact O-N 3.02Å; S133-V136 PolarHBondContact O-N 2.84Å; S133-V136 VanDerWaalsContact OG-CG2 3.31Å; S133-V136 WeakPolarHBondContact OG-CG2 3.38Å; S133-V136 PolarHBondContact OG-N 3.41Å; S133-C137 WeakPolarHBondContact O-CB 3.34Å; S133-C137 PolarHBondContact O-N 2.97Å; S133-C137 PolarHBondContact O-SG 2.73Å
134P98.2Very high97Very high20 Ų2050.2 Ų50.213%0.1326%0.257CS..Hα-helixtrans-53.4-39.7174.4-27.935.9000112.9C137 F138 L154 L157 E158 H161P134-C137 WeakPolarHBondContact O-CB 3.16Å; P134-C137 PolarHBondContact O-N 3.32Å; P134-F138 WeakPolarHBondContact O-CB 3.25Å; P134-F138 PolarHBondContact O-N 2.84Å; P134-L154 HydrophobicContact CB-CD1 3.93Å; P134-L157 HydrophobicContact CB-CB 4.3Å; P134-E158 HydrophobicContact CB-CB 4.42Å; P134-E158 HydrophobicContact CB-CG 3.63Å; P134-E158 HydrophobicContact CG-CB 4.34Å; P134-E158 HydrophobicContact CG-CG 3.87Å; P134-H161 HydrophobicContact CG-CB 3.73Å
135T97.9Very high96.8Very high73 Ų7354.9 Ų54.945%0.44828%0.281SS..Hα-helixtrans-63.7-47.1178.4-42.50000112.1S133 C137 F138 E139S133-T135 PolarHBondContact O-N 3.02Å; T135-C137 VanDerWaalsContact C-N 3.3Å; T135-C137 PolarHBondContact O-N 2.72Å; T135-F138 WeakPolarHBondContact O-CB 2.99Å; T135-F138 PolarHBondContact O-N 3.22Å; T135-F138 VanDerWaalsContact O-N 3.16Å; T135-E139 WeakPolarHBondContact O-CG 3.49Å; T135-E139 PolarHBondContact O-N 3.46Å
136V97.6Very high96.5Very high37 Ų3751.5 Ų51.522%0.22426%0.258CS..Hα-helixtrans-62.5-40.6176.1168.60000110.8A132 S133 F138 R140A132-V136 HydrophobicContact CB-CG1 4.31Å; S133-V136 PolarHBondContact O-N 2.84Å; S133-V136 VanDerWaalsContact OG-CG2 3.31Å; S133-V136 WeakPolarHBondContact OG-CG2 3.38Å; S133-V136 PolarHBondContact OG-N 3.41Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-R140 WeakPolarHBondContact O-CB 3.29Å; V136-R140 VanDerWaalsContact O-CG 3.26Å; V136-R140 WeakPolarHBondContact O-CG 3.42Å; V136-R140 PolarHBondContact O-N 3.49Å
137C97.6Very high96.1Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-61.7-42.8175-70.50000111.8I6 S133 P134 T135 R140 L141 L157I6-C137 VanDerWaalsContact O-CB 3.23Å; I6-C137 WeakPolarHBondContact O-CB 3.49Å; S133-C137 WeakPolarHBondContact O-CB 3.34Å; S133-C137 PolarHBondContact O-N 2.97Å; S133-C137 PolarHBondContact O-SG 2.73Å; P134-C137 WeakPolarHBondContact O-CB 3.16Å; P134-C137 PolarHBondContact O-N 3.32Å; T135-C137 VanDerWaalsContact C-N 3.3Å; T135-C137 PolarHBondContact O-N 2.72Å; C137-R140 PolarHBondContact O-N 2.84Å; C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.39Å; C137-L141 PolarHBondContact O-N 3.16Å; C137-L157 HydrophobicContact CB-CD1 4.15Å
138F97.4Very high95.5Very high54 Ų5451.4 Ų51.424%0.23726%0.264CS..Hα-helixtrans-63.6-48.9178.3-169.6-105.6000111.4P134 T135 V136 R140 L141 R142 I152 L154 L157P134-F138 WeakPolarHBondContact O-CB 3.25Å; P134-F138 PolarHBondContact O-N 2.84Å; T135-F138 WeakPolarHBondContact O-CB 2.99Å; T135-F138 PolarHBondContact O-N 3.22Å; T135-F138 VanDerWaalsContact O-N 3.16Å; V136-F138 VanDerWaalsContact C-N 3.34Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.3Å; F138-L141 WeakPolarHBondContact O-CB 3.12Å; F138-L141 PolarHBondContact O-N 3.02Å; F138-L141 VanDerWaalsContact O-N 3.14Å; F138-R142 HydrophobicContact CD1-CG 4.21Å; F138-R142 HydrophobicContact CE1-CG 4.03Å; F138-R142 HydrophobicContact CZ-CG 4.32Å; F138-R142 VanDerWaalsContact O-CG 3.27Å; F138-R142 WeakPolarHBondContact O-CG 3.48Å; F138-R142 PolarHBondContact O-N 3.48Å; F138-I152 WeakPolarHBondContact CE2-O 3.39Å; F138-L154 HydrophobicContact CB-CD1 3.85Å; F138-L154 HydrophobicContact CD2-CB 4.12Å; F138-L154 HydrophobicContact CD2-CD1 4.44Å; F138-L154 HydrophobicContact CE2-CB 4.25Å; F138-L154 HydrophobicContact CG-CB 4.41Å; F138-L154 HydrophobicContact CG-CD1 4.16Å; F138-L157 HydrophobicContact CB-CD1 3.74Å; F138-L157 HydrophobicContact CD2-CD1 3.85Å; F138-L157 HydrophobicContact CG-CD1 4.31Å
139E96.9Very high95.1Very high120 Ų12050.9 Ų50.956%0.56126%0.261SS*.Hα-helixtrans-56.7-46.4175.8-71.6171.2-174.600111.8T135 L141 R142 A143T135-E139 WeakPolarHBondContact O-CG 3.49Å; T135-E139 PolarHBondContact O-N 3.46Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.46Å; E139-R142 PolarHBondContact O-N 2.89Å; E139-A143 WeakPolarHBondContact O-CB 3.41Å; E139-A143 PolarHBondContact O-N 3.48Å
140R96.6Very high94.7Very high90 Ų9054.3 Ų54.334%0.3428%0.277SS..Hα-helixtrans-64.8-36.6177.2-70.9172.7-177.6168.67.6112.3G7 C8 V136 C137 F138 R144 S185G7-R140 VanDerWaalsContact O-CB 3.31Å; G7-R140 WeakPolarHBondContact O-CB 3.42Å; G7-R140 WeakPolarHBondContact O-CD 3.48Å; C8-R140 PolarHBondContact O-NH1 3.32Å; V136-R140 WeakPolarHBondContact O-CB 3.29Å; V136-R140 VanDerWaalsContact O-CG 3.26Å; V136-R140 WeakPolarHBondContact O-CG 3.42Å; V136-R140 PolarHBondContact O-N 3.49Å; C137-R140 PolarHBondContact O-N 2.84Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.3Å; R140-R144 WeakPolarHBondContact O-CG 3.38Å; R140-R144 PolarHBondContact O-N 2.97Å; R140-R144 VanDerWaalsContact O-N 3.11Å; R140-S185 PolarHBondContact NH1-OG 3.39Å
141L94.8Very high94.2Very high4 Ų460.7 Ų60.72%0.02131%0.311CS..Hα-helixtrans-64.9-44.9175.7-175.6159.4000110.8I6 C137 F138 E139 R144 N145 E149 I152 L157I6-L141 HydrophobicContact CG2-CD1 3.68Å; C137-L141 VanDerWaalsContact O-CB 3.24Å; C137-L141 WeakPolarHBondContact O-CB 3.39Å; C137-L141 PolarHBondContact O-N 3.16Å; F138-L141 WeakPolarHBondContact O-CB 3.12Å; F138-L141 PolarHBondContact O-N 3.02Å; F138-L141 VanDerWaalsContact O-N 3.14Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.46Å; L141-R144 WeakPolarHBondContact O-CG 3.29Å; L141-R144 PolarHBondContact O-N 2.91Å; L141-N145 PolarHBondContact O-N 3.21Å; L141-E149 HydrophobicContact CD2-CB 4.34Å; L141-E149 WeakPolarHBondContact CD2-O 3.39Å; L141-I152 HydrophobicContact CD1-CB 4.22Å; L141-I152 HydrophobicContact CD1-CD1 4.07Å; L141-I152 HydrophobicContact CD1-CG2 4.14Å; L141-L157 HydrophobicContact CD1-CD1 4.26Å; L141-L157 HydrophobicContact CD1-CD2 4.31Å
142R95.3Very high94Very high100 Ų10057.2 Ų57.238%0.37730%0.298SS..Hα-helixtrans-64.6-43.4175.7-62.4-66.5164.8-176.3-10.1111.7F138 E139 R144 N145 E150 I152F138-R142 HydrophobicContact CD1-CG 4.21Å; F138-R142 HydrophobicContact CE1-CG 4.03Å; F138-R142 HydrophobicContact CZ-CG 4.32Å; F138-R142 VanDerWaalsContact O-CG 3.27Å; F138-R142 WeakPolarHBondContact O-CG 3.48Å; F138-R142 PolarHBondContact O-N 3.48Å; E139-R142 PolarHBondContact O-N 2.89Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.49Å; R142-N145 PolarHBondContact O-N 2.96Å; R142-E150 PolarHBondContact NH1-O 2.89Å; R142-E150 PolarHBondContact NH2-O 3.16Å; R142-I152 PolarHBondContact NH2-O 2.97Å
143A95.1Very high93.9Very high88 Ų8860.4 Ų60.473%0.72732%0.319SS*.Hα-helixtrans-63.1-35.9179.500000113.4E139E139-A143 WeakPolarHBondContact O-CB 3.41Å; E139-A143 PolarHBondContact O-N 3.48Å
144R94.2Very high93.9Very high84 Ų8461.1 Ų61.132%0.31732%0.319SS..Hα-helixtrans-78.2-19.4177.871.3174.5179.7-170.5-1.8114R140 L141 R142 R146 E149R140-R144 WeakPolarHBondContact O-CG 3.38Å; R140-R144 PolarHBondContact O-N 2.97Å; R140-R144 VanDerWaalsContact O-N 3.11Å; L141-R144 WeakPolarHBondContact O-CG 3.29Å; L141-R144 PolarHBondContact O-N 2.91Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.49Å; R144-R146 VanDerWaalsContact C-N 3.33Å; R144-R146 PolarHBondContact O-N 3.37Å; R144-R146 VanDerWaalsContact O-N 3.16Å; R144-E149 IonicContact CZ-OE1 2.73Å; R144-E149 IonicContact CZ-OE2 3.52Å; R144-E149 IonicContact NE-OE1 2.85Å; R144-E149 IonicContact NE-OE2 2.98Å; R144-E149 PolarHBondContact NE-OE2 2.97Å; R144-E149 IonicContact NH2-OE1 3.59Å; R144-E149 PolarHBondContact NH2-OE1 3.4Å; R144-E149 IonicContact NH2-OE2 3.24Å; R144-E149 PolarHBondContact NH2-OE2 3.03Å
145N90.7Very high93.9Very high119 Ų11965.2 Ų65.264%0.63634%0.335SS*.  trans40.753.8174.7-162.746.3000114.3L141 R142L141-N145 PolarHBondContact O-N 3.21Å; R142-N145 PolarHBondContact O-N 2.96Å
146R91.1Very high93.9Very high75 Ų7562.3 Ų62.328%0.28332%0.316SS..  trans-84.3136.3-178.3-177.7-170.6-66.2165.3-14.2109.7R144 E149R144-R146 VanDerWaalsContact C-N 3.33Å; R144-R146 PolarHBondContact O-N 3.37Å; R144-R146 VanDerWaalsContact O-N 3.16Å; R146-E149 HydrophobicContact CB-CG 4.48Å; R146-E149 WeakPolarHBondContact CD-OE1 3.34Å; R146-E149 IonicContact CZ-OE1 2.94Å; R146-E149 IonicContact NE-OE1 3.21Å; R146-E149 IonicContact NH1-OE1 2.6Å; R146-E149 PolarHBondContact NH1-OE1 3.4Å; R146-E149 WeakPolarHBondContact O-CB 3.3Å; R146-E149 PolarHBondContact O-N 2.78Å
147S88.5Confident93.9Very high58 Ų5860.5 Ų60.541%0.40631%0.305SS..THydrogen-bonded Turntrans-62.1138.4176.2112.50000113.2K35 E44 E150K35-S147 PolarHBondContact NZ-O 3.23Å; K35-S147 PolarHBondContact NZ-OG 2.92Å; E44-S147 PolarHBondContact OE2-OG 3.33Å; S147-E150 VanDerWaalsContact CA-OE1 3.29Å; S147-E150 WeakPolarHBondContact CA-OE1 3.33Å
148G85.4Confident94Very high8 Ų863.8 Ų63.88%0.08232%0.32CS..THydrogen-bonded Turntrans87.8-0.4-173.800000114Y47 E150Y47-G148 WeakPolarHBondContact CD2-O 3.31Å; G148-E150 WeakPolarHBondContact CA-OE2 3.44Å; G148-E150 PolarHBondContact N-OE2 3.17Å
149E90.1Very high94Very high5 Ų563 Ų632%0.02332%0.318CS..  trans-116.3-2180-62-17916800113.2F43 L141 R144 R146 D151 I152F43-E149 HydrophobicContact CE1-CG 3.77Å; F43-E149 HydrophobicContact CZ-CG 3.66Å; L141-E149 HydrophobicContact CD2-CB 4.34Å; L141-E149 WeakPolarHBondContact CD2-O 3.39Å; R144-E149 IonicContact CZ-OE1 2.73Å; R144-E149 IonicContact CZ-OE2 3.52Å; R144-E149 IonicContact NE-OE1 2.85Å; R144-E149 IonicContact NE-OE2 2.98Å; R144-E149 PolarHBondContact NE-OE2 2.97Å; R144-E149 IonicContact NH2-OE1 3.59Å; R144-E149 PolarHBondContact NH2-OE1 3.4Å; R144-E149 IonicContact NH2-OE2 3.24Å; R144-E149 PolarHBondContact NH2-OE2 3.03Å; R146-E149 HydrophobicContact CB-CG 4.48Å; R146-E149 WeakPolarHBondContact CD-OE1 3.34Å; R146-E149 IonicContact CZ-OE1 2.94Å; R146-E149 IonicContact NE-OE1 3.21Å; R146-E149 IonicContact NH1-OE1 2.6Å; R146-E149 PolarHBondContact NH1-OE1 3.4Å; R146-E149 WeakPolarHBondContact O-CB 3.3Å; R146-E149 PolarHBondContact O-N 2.78Å; E149-D151 VanDerWaalsContact C-N 3.27Å; E149-D151 PolarHBondContact O-N 3.17Å; E149-I152 HydrophobicContact CB-CD1 3.7Å; E149-I152 HydrophobicContact CB-CG1 4.44Å; E149-I152 HydrophobicContact CG-CD1 3.89Å; E149-I152 WeakPolarHBondContact O-CG1 3.49Å; E149-I152 PolarHBondContact O-N 2.6Å
150E90Very high94.1Very high73 Ų7357.3 Ų57.334%0.34129%0.292SS..THydrogen-bonded Turntrans-60.7-35.5-173.2-63.291.9151.200112.3R142 S147 G148R142-E150 PolarHBondContact NH1-O 2.89Å; R142-E150 PolarHBondContact NH2-O 3.16Å; S147-E150 VanDerWaalsContact CA-OE1 3.29Å; S147-E150 WeakPolarHBondContact CA-OE1 3.33Å; G148-E150 WeakPolarHBondContact CA-OE2 3.44Å; G148-E150 PolarHBondContact N-OE2 3.17Å
151D88.6Confident94.2Very high151 Ų15154.6 Ų54.681%0.80728%0.283SS*.THydrogen-bonded Turntrans-98.58.9-174.6-62.2-42.5000113.4E149 P153E149-D151 VanDerWaalsContact C-N 3.27Å; E149-D151 PolarHBondContact O-N 3.17Å; D151-P153 WeakPolarHBondContact O-CD 3.37Å; D151-P153 VanDerWaalsContact O-N 3.15Å
152I93.8Very high94.4Very high2 Ų260 Ų601%0.0131%0.308CS..  trans-65.4116.1176.8-62.5176000108.9Y47 F138 L141 R142 E149 Y156 L157Y47-I152 HydrophobicContact CD1-CD1 3.91Å; Y47-I152 HydrophobicContact CD1-CG1 3.63Å; Y47-I152 HydrophobicContact CD2-CD1 4.46Å; Y47-I152 HydrophobicContact CE1-CD1 3.38Å; Y47-I152 HydrophobicContact CE1-CG1 3.55Å; Y47-I152 HydrophobicContact CE2-CD1 4Å; Y47-I152 HydrophobicContact CG-CD1 4.42Å; Y47-I152 HydrophobicContact CG-CG1 4.27Å; Y47-I152 VanDerWaalsContact CZ-CD1 3.42Å; F138-I152 WeakPolarHBondContact CE2-O 3.39Å; L141-I152 HydrophobicContact CD1-CB 4.22Å; L141-I152 HydrophobicContact CD1-CD1 4.07Å; L141-I152 HydrophobicContact CD1-CG2 4.14Å; R142-I152 PolarHBondContact NH2-O 2.97Å; E149-I152 HydrophobicContact CB-CD1 3.7Å; E149-I152 HydrophobicContact CB-CG1 4.44Å; E149-I152 HydrophobicContact CG-CD1 3.89Å; E149-I152 WeakPolarHBondContact O-CG1 3.49Å; E149-I152 PolarHBondContact O-N 2.6Å; I152-Y156 HydrophobicContact CG2-CD1 3.7Å; I152-Y156 HydrophobicContact CG2-CE1 4.48Å; I152-Y156 HydrophobicContact CG2-CG 4.3Å; I152-L157 HydrophobicContact CG2-CD2 4.13Å; I152-L157 HydrophobicContact CG2-CG 4.31Å
153P95.5Very high94.5Very high68 Ų6855.7 Ų55.744%0.44229%0.292SS..  trans-79.7156.2-178.632.6-33.6000111D151 K155 Y156D151-P153 WeakPolarHBondContact O-CD 3.37Å; D151-P153 VanDerWaalsContact O-N 3.15Å; P153-K155 PolarHBondContact O-N 2.84Å; P153-Y156 WeakPolarHBondContact O-CB 3.39Å; P153-Y156 PolarHBondContact O-N 3.4Å; P153-Y156 VanDerWaalsContact O-N 3.11Å
154L97.6Very high94.7Very high55 Ų5551.5 Ų51.529%0.28826%0.258SS..Hα-helixtrans-54.8-41174.7175.861.5000111.5P134 F138 Y156 L157 E158P134-L154 HydrophobicContact CB-CD1 3.93Å; F138-L154 HydrophobicContact CB-CD1 3.85Å; F138-L154 HydrophobicContact CD2-CB 4.12Å; F138-L154 HydrophobicContact CD2-CD1 4.44Å; F138-L154 HydrophobicContact CE2-CB 4.25Å; F138-L154 HydrophobicContact CG-CB 4.41Å; F138-L154 HydrophobicContact CG-CD1 4.16Å; L154-Y156 VanDerWaalsContact C-N 3.26Å; L154-Y156 PolarHBondContact O-N 3.5Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 WeakPolarHBondContact O-CA 3.5Å; L154-L157 WeakPolarHBondContact O-CB 3.02Å; L154-L157 PolarHBondContact O-N 3.43Å; L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 HydrophobicContact CG-CG 4.32Å; L154-E158 PolarHBondContact O-N 3.26Å
155K97.8Very high94.9Very high106 Ų10648.5 Ų48.546%0.46125%0.247SC..Hα-helixtrans-55.1-39.9178.518053.8179153.30113.1P153 L157 E158 D159P153-K155 PolarHBondContact O-N 2.84Å; K155-L157 VanDerWaalsContact C-N 3.27Å; K155-L157 PolarHBondContact O-N 2.88Å; K155-E158 WeakPolarHBondContact CA-OE2 3.4Å; K155-E158 HydrophobicContact CD-CB 4.48Å; K155-E158 WeakPolarHBondContact CD-OE2 3.41Å; K155-E158 WeakPolarHBondContact O-CB 3.06Å; K155-E158 PolarHBondContact O-N 3.14Å; K155-E158 VanDerWaalsContact O-N 3.12Å; K155-D159 WeakPolarHBondContact CE-OD1 3.34Å; K155-D159 IonicContact NZ-OD1 2.81Å; K155-D159 PolarHBondContact NZ-OD1 2.9Å; K155-D159 VanDerWaalsContact O-CG 3.28Å; K155-D159 PolarHBondContact O-N 2.95Å
156Y97.2Very high95.3Very high11 Ų1142.8 Ų42.84%0.04322%0.217CC..Hα-helixtrans-62.5-36.7176.1-177.2-94.4000112I6 Y47 N94 I152 P153 L154 L160I6-Y156 HydrophobicContact CD1-CE1 3.87Å; Y47-Y156 HydrophobicContact CE1-CE1 4.14Å; N94-Y156 WeakPolarHBondContact ND2-CE2 3.3Å; I152-Y156 HydrophobicContact CG2-CD1 3.7Å; I152-Y156 HydrophobicContact CG2-CE1 4.48Å; I152-Y156 HydrophobicContact CG2-CG 4.3Å; P153-Y156 WeakPolarHBondContact O-CB 3.39Å; P153-Y156 PolarHBondContact O-N 3.4Å; P153-Y156 VanDerWaalsContact O-N 3.11Å; L154-Y156 VanDerWaalsContact C-N 3.26Å; L154-Y156 PolarHBondContact O-N 3.5Å; Y156-L160 HydrophobicContact CD1-CD1 3.92Å; Y156-L160 HydrophobicContact CD1-CG 4.39Å; Y156-L160 HydrophobicContact CE1-CD1 3.38Å; Y156-L160 HydrophobicContact CE1-CG 4.07Å; Y156-L160 WeakPolarHBondContact O-CG 3.3Å; Y156-L160 PolarHBondContact O-N 3.43Å; Y156-L160 VanDerWaalsContact O-N 3.09Å
157L98.1Very high95.6Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-72.8-32.6174.9-58.1-178.6000112.2N5 I6 P134 C137 F138 L141 I152 L154 K155 H161N5-L157 PolarHBondContact ND2-O 3.34Å; I6-L157 HydrophobicContact CB-CD2 3.85Å; I6-L157 HydrophobicContact CD1-CD2 4.41Å; I6-L157 HydrophobicContact CG1-CD2 4.49Å; P134-L157 HydrophobicContact CB-CB 4.3Å; C137-L157 HydrophobicContact CB-CD1 4.15Å; F138-L157 HydrophobicContact CB-CD1 3.74Å; F138-L157 HydrophobicContact CD2-CD1 3.85Å; F138-L157 HydrophobicContact CG-CD1 4.31Å; L141-L157 HydrophobicContact CD1-CD1 4.26Å; L141-L157 HydrophobicContact CD1-CD2 4.31Å; I152-L157 HydrophobicContact CG2-CD2 4.13Å; I152-L157 HydrophobicContact CG2-CG 4.31Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 WeakPolarHBondContact O-CA 3.5Å; L154-L157 WeakPolarHBondContact O-CB 3.02Å; L154-L157 PolarHBondContact O-N 3.43Å; K155-L157 VanDerWaalsContact C-N 3.27Å; K155-L157 PolarHBondContact O-N 2.88Å; L157-H161 VanDerWaalsContact O-CB 3.31Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 3.48Å
158E98.7Very high96.1Very high69 Ų6936.8 Ų36.832%0.32219%0.185SC..Hα-helixtrans-63.1-48.6172.5-66.3169.9161.100110.6P134 L154 K155 L160 H161 E162P134-E158 HydrophobicContact CB-CB 4.42Å; P134-E158 HydrophobicContact CB-CG 3.63Å; P134-E158 HydrophobicContact CG-CB 4.34Å; P134-E158 HydrophobicContact CG-CG 3.87Å; L154-E158 HydrophobicContact CD1-CG 4.48Å; L154-E158 HydrophobicContact CG-CG 4.32Å; L154-E158 PolarHBondContact O-N 3.26Å; K155-E158 WeakPolarHBondContact CA-OE2 3.4Å; K155-E158 HydrophobicContact CD-CB 4.48Å; K155-E158 WeakPolarHBondContact CD-OE2 3.41Å; K155-E158 WeakPolarHBondContact O-CB 3.06Å; K155-E158 PolarHBondContact O-N 3.14Å; K155-E158 VanDerWaalsContact O-N 3.12Å; E158-L160 PolarHBondContact O-N 3.43Å; E158-H161 WeakPolarHBondContact O-CB 3.19Å; E158-H161 PolarHBondContact O-N 3.14Å; E158-E162 PolarHBondContact O-N 3.35Å
159D98.5Very high96.6Very high37 Ų3739.9 Ų39.920%0.19820%0.199CC..Hα-helixtrans-60.3-45.3178.4-62.9-29.3000111.6N94 K155 H161 E162 L163N94-D159 WeakPolarHBondContact OD1-CB 3.48Å; K155-D159 WeakPolarHBondContact CE-OD1 3.34Å; K155-D159 IonicContact NZ-OD1 2.81Å; K155-D159 PolarHBondContact NZ-OD1 2.9Å; K155-D159 VanDerWaalsContact O-CG 3.28Å; K155-D159 PolarHBondContact O-N 2.95Å; D159-H161 VanDerWaalsContact C-N 3.3Å; D159-H161 PolarHBondContact O-N 3.09Å; D159-E162 PolarHBondContact O-N 2.92Å; D159-L163 WeakPolarHBondContact O-CG 3.2Å; D159-L163 PolarHBondContact O-N 3.47Å; D159-L163 VanDerWaalsContact O-N 3.1Å
160L98.5Very high97Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-64.2-35174.7-73.2-175.8000112.5N5 I6 F91 N94 Y156 E158 L163 H164N5-L160 WeakPolarHBondContact OD1-CB 3.48Å; I6-L160 HydrophobicContact CD1-CD1 3.85Å; I6-L160 HydrophobicContact CG1-CD1 4.11Å; F91-L160 HydrophobicContact CD1-CD1 4.46Å; F91-L160 HydrophobicContact CD1-CD2 4.05Å; F91-L160 HydrophobicContact CE1-CD1 3.81Å; F91-L160 HydrophobicContact CE1-CD2 4.12Å; F91-L160 HydrophobicContact CZ-CD1 4.43Å; N94-L160 HydrophobicContact CB-CD2 3.94Å; Y156-L160 HydrophobicContact CD1-CD1 3.92Å; Y156-L160 HydrophobicContact CD1-CG 4.39Å; Y156-L160 HydrophobicContact CE1-CD1 3.38Å; Y156-L160 HydrophobicContact CE1-CG 4.07Å; Y156-L160 WeakPolarHBondContact O-CG 3.3Å; Y156-L160 PolarHBondContact O-N 3.43Å; Y156-L160 VanDerWaalsContact O-N 3.09Å; E158-L160 PolarHBondContact O-N 3.43Å; L160-L163 PolarHBondContact O-N 3.01Å; L160-H164 PolarHBondContact O-N 3.26Å; L160-H164 PolarHBondContact O-ND1 3.4Å
161H98.5Very high97.3Very high33 Ų3348.4 Ų48.415%0.15323%0.233CC..Hα-helixtrans-64-49.6177.2-179.985.5000110.4A132 P134 L157 E158 D159 L163 H164 E165A132-H161 PolarHBondContact O-ND1 3.48Å; P134-H161 HydrophobicContact CG-CB 3.73Å; L157-H161 VanDerWaalsContact O-CB 3.31Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 3.48Å; E158-H161 WeakPolarHBondContact O-CB 3.19Å; E158-H161 PolarHBondContact O-N 3.14Å; D159-H161 VanDerWaalsContact C-N 3.3Å; D159-H161 PolarHBondContact O-N 3.09Å; H161-L163 PolarHBondContact O-N 3.42Å; H161-H164 PolarHBondContact O-N 3.09Å; H161-H164 VanDerWaalsContact O-N 3.08Å; H161-E165 WeakPolarHBondContact O-CG 3.12Å; H161-E165 PolarHBondContact O-N 3.26Å
162E98.6Very high97.7Very high117 Ų11748.7 Ų48.755%0.54722%0.223SC..Hα-helixtrans-55.8-39.9176.7-69.7178.6-172.200112E158 D159 E165 A166E158-E162 PolarHBondContact O-N 3.35Å; D159-E162 PolarHBondContact O-N 2.92Å; E162-E165 PolarHBondContact O-N 3.17Å; E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 2.9Å
163L98.7Very high97.8Very high10 Ų1051.4 Ų51.45%0.05224%0.235CC..Hα-helixtrans-70.6-35.3177.4-70.4167000113.4C90 E93 N94 D159 L160 H161 W167C90-L163 HydrophobicContact CB-CB 4.3Å; C90-L163 VanDerWaalsContact O-CD1 3.27Å; C90-L163 WeakPolarHBondContact O-CD1 3.34Å; E93-L163 HydrophobicContact CB-CD1 4.1Å; E93-L163 HydrophobicContact CB-CD2 3.87Å; N94-L163 HydrophobicContact CB-CD1 3.59Å; D159-L163 WeakPolarHBondContact O-CG 3.2Å; D159-L163 PolarHBondContact O-N 3.47Å; D159-L163 VanDerWaalsContact O-N 3.1Å; L160-L163 PolarHBondContact O-N 3.01Å; H161-L163 PolarHBondContact O-N 3.42Å; L163-W167 WeakPolarHBondContact O-CB 3.38Å; L163-W167 PolarHBondContact O-N 3.15Å
164H98.4Very high97.7Very high0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-66.3-40171.8-75.377.9000111.2G4 Y129 L160 H161 W167 L168G4-H164 PolarHBondContact O-NE2 2.84Å; Y129-H164 HydrophobicContact CE2-CB 3.9Å; Y129-H164 WeakPolarHBondContact OH-CB 3.22Å; L160-H164 PolarHBondContact O-N 3.26Å; L160-H164 PolarHBondContact O-ND1 3.4Å; H161-H164 PolarHBondContact O-N 3.09Å; H161-H164 VanDerWaalsContact O-N 3.08Å; H164-W167 PolarHBondContact O-N 2.92Å; H164-L168 VanDerWaalsContact O-CB 3.24Å; H164-L168 WeakPolarHBondContact O-CB 3.21Å; H164-L168 PolarHBondContact O-N 2.89Å
165E98.3Very high97.6Very high21 Ų2156.3 Ų56.310%0.09826%0.261CS..Hα-helixtrans-63.3-49.1175.4-67.2-66.2116.300111.1Y129 R131 H161 E162 W167 I169 E170Y129-E165 WeakPolarHBondContact CE1-OE1 3.24Å; Y129-E165 PolarHBondContact OH-OE1 2.91Å; R131-E165 WeakPolarHBondContact CD-OE1 3.49Å; R131-E165 IonicContact CZ-OE1 3.55Å; R131-E165 IonicContact CZ-OE2 3.59Å; R131-E165 VanDerWaalsContact NE-CD 3.28Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 PolarHBondContact NE-OE1 3.14Å; R131-E165 IonicContact NE-OE2 2.61Å; R131-E165 PolarHBondContact NE-OE2 2.86Å; R131-E165 IonicContact NH2-OE1 3.7Å; R131-E165 IonicContact NH2-OE2 2.63Å; R131-E165 PolarHBondContact NH2-OE2 3.2Å; H161-E165 WeakPolarHBondContact O-CG 3.12Å; H161-E165 PolarHBondContact O-N 3.26Å; E162-E165 PolarHBondContact O-N 3.17Å; E165-W167 VanDerWaalsContact C-N 3.27Å; E165-W167 PolarHBondContact O-N 3.33Å; E165-I169 WeakPolarHBondContact O-CA 3.46Å; E165-I169 WeakPolarHBondContact O-CB 3.45Å; E165-I169 PolarHBondContact O-N 3.08Å; E165-E170 PolarHBondContact O-N 2.91Å
166A98.4Very high97.5Very high0 Ų052.1 Ų52.10%024%0.244CC..Hα-helixtrans-55.8-41.9176.600000112E162 R171 R172E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 2.9Å; A166-R171 PolarHBondContact O-N 3.33Å; A166-R171 VanDerWaalsContact O-N 3.11Å; A166-R172 HydrophobicContact CB-CB 4.26Å; A166-R172 VanDerWaalsContact CB-CZ 3.45Å; A166-R172 VanDerWaalsContact O-CB 3.26Å; A166-R172 WeakPolarHBondContact O-CB 3.35Å; A166-R172 PolarHBondContact O-N 3.21Å
167W98.3Very high97.3Very high4 Ų454.5 Ų54.52%0.01526%0.261CS..Hα-helixtrans-76.2-56.3179.4174.832.6000113E3 H85 Y89 L163 H164 E165 R171 F173E3-W167 HydrophobicContact CG-CH2 4.02Å; E3-W167 HydrophobicContact CG-CZ3 4.07Å; H85-W167 HydrophobicContact CB-CH2 3.55Å; H85-W167 HydrophobicContact CB-CZ2 3.31Å; Y89-W167 AromaticContact CD2-CD1 3.73Å; Y89-W167 AromaticContact CD2-CD2 3.93Å; Y89-W167 HydrophobicContact CD2-CD2 3.93Å; Y89-W167 AromaticContact CD2-CE2 3.54Å; Y89-W167 HydrophobicContact CD2-CG 4.07Å; Y89-W167 HydrophobicContact CD2-CZ2 4.06Å; Y89-W167 AromaticContact CD2-NE1 3.38Å; Y89-W167 AromaticContact CE2-NE1 3.79Å; Y89-W167 HydrophobicContact CG-CD2 4.42Å; Y89-W167 HydrophobicContact CG-CG 4.29Å; L163-W167 WeakPolarHBondContact O-CB 3.38Å; L163-W167 PolarHBondContact O-N 3.15Å; H164-W167 PolarHBondContact O-N 2.92Å; E165-W167 VanDerWaalsContact C-N 3.27Å; E165-W167 PolarHBondContact O-N 3.33Å; W167-R171 WeakPolarHBondContact O-CA 3.44Å; W167-R171 PolarHBondContact O-N 2.66Å; W167-F173 HydrophobicContact CB-CD2 3.73Å; W167-F173 HydrophobicContact CB-CE2 3.94Å; W167-F173 HydrophobicContact CG-CD2 4.14Å
168L98Very high97.3Very high2 Ų255 Ų551%0.0127%0.265CS..Hα-helixtrans-88.8-29-163.2-65.9174.2000113.2E3 I127 Y129 H164 L176 I180E3-L168 HydrophobicContact CB-CD1 3.97Å; I127-L168 HydrophobicContact CD1-CD2 4.35Å; I127-L168 HydrophobicContact CG2-CD2 4.01Å; Y129-L168 HydrophobicContact CD1-CB 4.26Å; Y129-L168 HydrophobicContact CD1-CD1 4.08Å; Y129-L168 HydrophobicContact CD2-CD1 3.42Å; Y129-L168 VanDerWaalsContact CD2-CD1 3.42Å; Y129-L168 HydrophobicContact CE1-CD1 4.47Å; Y129-L168 HydrophobicContact CE2-CD1 3.87Å; Y129-L168 HydrophobicContact CG-CB 4.49Å; Y129-L168 HydrophobicContact CG-CD1 3.56Å; H164-L168 VanDerWaalsContact O-CB 3.24Å; H164-L168 WeakPolarHBondContact O-CB 3.21Å; H164-L168 PolarHBondContact O-N 2.89Å; L168-L176 HydrophobicContact CD2-CD2 4.29Å; L168-I180 HydrophobicContact CB-CD1 3.65Å; L168-I180 HydrophobicContact CD2-CD1 4.12Å; L168-I180 HydrophobicContact CG-CD1 4.36Å; L168-I180 WeakPolarHBondContact O-CD1 3.36Å
169I97.3Very high97.2Very high73 Ų7356.2 Ų56.237%0.37428%0.279SS..THydrogen-bonded Turntrans-102.6-54.8-177.8-53.9-56000110.1Y129 E165Y129-I169 HydrophobicContact CD1-CD1 4.09Å; Y129-I169 HydrophobicContact CE1-CD1 4.24Å; Y129-I169 HydrophobicContact CE1-CG1 4.25Å; E165-I169 WeakPolarHBondContact O-CA 3.46Å; E165-I169 WeakPolarHBondContact O-CB 3.45Å; E165-I169 PolarHBondContact O-N 3.08Å
170E97.5Very high97.2Very high113 Ų11356.5 Ų56.553%0.52828%0.28SS..SBendtrans-80.9-16.9-175.8-57.4174.3-169.100113.4E165 R172E165-E170 PolarHBondContact O-N 2.91Å; E170-R172 VanDerWaalsContact C-N 3.27Å; E170-R172 PolarHBondContact O-N 3.32Å; E170-R172 IonicContact OE1-NH2 2.89Å; E170-R172 IonicContact OE2-CZ 2.74Å; E170-R172 IonicContact OE2-NE 3.92Å; E170-R172 IonicContact OE2-NH2 2.73Å; E170-R172 PolarHBondContact OE2-NH2 3.34Å
171R96.7Very high97.1Very high144 Ų14460.8 Ų60.854%0.54330%0.302SS..  trans5836.2180-53.1-178-179.5-175.10.4113.4A166 W167 F173 G174 L176A166-R171 PolarHBondContact O-N 3.33Å; A166-R171 VanDerWaalsContact O-N 3.11Å; W167-R171 WeakPolarHBondContact O-CA 3.44Å; W167-R171 PolarHBondContact O-N 2.66Å; R171-F173 PolarHBondContact O-N 3.01Å; R171-F173 VanDerWaalsContact O-N 3.16Å; R171-G174 PolarHBondContact O-N 3.16Å; R171-L176 HydrophobicContact CG-CG 4.49Å
172R97.4Very high96.9Very high157 Ų15761.9 Ų61.959%0.59231%0.313SS*.THydrogen-bonded Turntrans-59.8-27.1-177.7-165.9-179.9-62.2168.90.9113.4A166 E170 G174A166-R172 HydrophobicContact CB-CB 4.26Å; A166-R172 VanDerWaalsContact CB-CZ 3.45Å; A166-R172 VanDerWaalsContact O-CB 3.26Å; A166-R172 WeakPolarHBondContact O-CB 3.35Å; A166-R172 PolarHBondContact O-N 3.21Å; E170-R172 VanDerWaalsContact C-N 3.27Å; E170-R172 PolarHBondContact O-N 3.32Å; E170-R172 IonicContact OE1-NH2 2.89Å; E170-R172 IonicContact OE2-CZ 2.74Å; E170-R172 IonicContact OE2-NE 3.92Å; E170-R172 IonicContact OE2-NH2 2.73Å; E170-R172 PolarHBondContact OE2-NH2 3.34Å; R172-G174 VanDerWaalsContact C-N 3.34Å
173F95.4Very high96.4Very high59 Ų5961.3 Ų61.326%0.25931%0.31SS..THydrogen-bonded Turntrans-9516.2178.8-54.5-75.1000113.6Y89 E93 W167 R171Y89-F173 HydrophobicContact CD1-CB 3.72Å; Y89-F173 AromaticContact CD1-CD1 3.77Å; Y89-F173 HydrophobicContact CD1-CD1 3.77Å; Y89-F173 AromaticContact CD1-CD2 3.96Å; Y89-F173 HydrophobicContact CD1-CD2 3.96Å; Y89-F173 HydrophobicContact CD1-CE1 4.38Å; Y89-F173 AromaticContact CD1-CG 3.53Å; Y89-F173 HydrophobicContact CD1-CG 3.53Å; Y89-F173 HydrophobicContact CE1-CB 3.75Å; Y89-F173 HydrophobicContact CE1-CD1 4.3Å; Y89-F173 HydrophobicContact CE1-CG 4.06Å; Y89-F173 HydrophobicContact CG-CB 4.21Å; Y89-F173 AromaticContact CG-CD2 3.97Å; Y89-F173 HydrophobicContact CG-CD2 3.97Å; Y89-F173 AromaticContact CG-CG 4Å; Y89-F173 HydrophobicContact CG-CG 4Å; E93-F173 HydrophobicContact CG-CE1 3.98Å; E93-F173 HydrophobicContact CG-CZ 3.85Å; W167-F173 HydrophobicContact CB-CD2 3.73Å; W167-F173 HydrophobicContact CB-CE2 3.94Å; W167-F173 HydrophobicContact CG-CD2 4.14Å; R171-F173 PolarHBondContact O-N 3.01Å; R171-F173 VanDerWaalsContact O-N 3.16Å
174G94.6Very high95.7Very high41 Ų4168.3 Ų68.342%0.42334%0.34SS..SBendtrans94.4-160.4-18000000113.4R171 R172R171-G174 PolarHBondContact O-N 3.16Å; R172-G174 VanDerWaalsContact C-N 3.34Å
175Q94.3Very high94.2Very high185 Ų18572.3 Ų72.386%0.86437%0.368SS*.SBendtrans-67.8135.4-174.9-169.8170.814.800111.4
176L96.3Very high94Very high18 Ų1874.9 Ų74.99%0.09438%0.381CS..  trans-65.8144.2173.3-62.4179.2000110.4I127 L168 R171 A178 I180I127-L176 HydrophobicContact CD1-CB 4.3Å; I127-L176 HydrophobicContact CD1-CD2 4.44Å; L168-L176 HydrophobicContact CD2-CD2 4.29Å; R171-L176 HydrophobicContact CG-CG 4.49Å; L176-A178 WeakPolarHBondContact CB-O 3.42Å; L176-A178 PolarHBondContact O-N 3.45Å; L176-I180 HydrophobicContact CD1-CB 4.04Å; L176-I180 HydrophobicContact CD1-CD1 4.48Å; L176-I180 HydrophobicContact CD1-CG2 3.87Å
177P93.5Very high93.8Very high62 Ų6278.8 Ų78.840%0.40340%0.401SS..SBendtrans-68-14.9179.128.8-36.3000113.2V124 I127V124-P177 HydrophobicContact CB-CB 4.41Å; V124-P177 HydrophobicContact CB-CG 4.48Å; V124-P177 HydrophobicContact CG2-CG 4.44Å; I127-P177 HydrophobicContact CD1-CG 4.15Å
178A96.7Very high93.5Very high11 Ų1183 Ų839%0.09142%0.423CS..SBendtrans-155.4166-179.900000111.2V124 I127 L176V124-A178 HydrophobicContact CB-CB 4.12Å; V124-A178 HydrophobicContact CG1-CB 3.6Å; V124-A178 VanDerWaalsContact O-CB 3.3Å; V124-A178 WeakPolarHBondContact O-CB 3.5Å; I127-A178 HydrophobicContact CG1-CB 4.23Å; L176-A178 WeakPolarHBondContact CB-O 3.42Å; L176-A178 PolarHBondContact O-N 3.45Å
179P97.5Very high93.3Very high93 Ų9387.8 Ų87.860%0.60445%0.447SS*.  trans-55.2153.3168.1-23.834.8000112.1L126 I127L126-P179 HydrophobicContact CD1-CB 4.36Å; I127-P179 PolarHBondContact N-O 3.11Å
180I97.7Very high93Very high43 Ų4388.7 Ų88.722%0.22145%0.452CS..EExtended strand (participates in β ladder)trans-118.8135.8-179.4-175.3173.5000111.3I127 L168 L176I127-I180 HydrophobicContact CB-CB 4.33Å; I127-I180 HydrophobicContact CB-CG1 4.28Å; I127-I180 HydrophobicContact CG2-CG1 4.36Å; I127-I180 CarbonylContact O-C 3.59Å; I127-I180 WeakPolarHBondContact O-CA 3.38Å; L168-I180 HydrophobicContact CB-CD1 3.65Å; L168-I180 HydrophobicContact CD2-CD1 4.12Å; L168-I180 HydrophobicContact CG-CD1 4.36Å; L168-I180 WeakPolarHBondContact O-CD1 3.36Å; L176-I180 HydrophobicContact CD1-CB 4.04Å; L176-I180 HydrophobicContact CD1-CD1 4.48Å; L176-I180 HydrophobicContact CD1-CG2 3.87Å
181L97.2Very high92.7Very high90 Ų9087.1 Ų87.147%0.47145%0.447SS..EExtended strand (participates in β ladder)trans-112.6121.5163.3-67.9176.3000108.6L126 I127 V128 Y129 F183L126-L181 HydrophobicContact CD1-CD1 4.23Å; L126-L181 HydrophobicContact CD1-CG 4.11Å; L126-L181 HydrophobicContact CD2-CD1 4.06Å; I127-L181 PolarHBondContact O-N 3.16Å; V128-L181 CarbonylContact C-O 3.56Å; V128-L181 WeakPolarHBondContact CA-O 3.41Å; Y129-L181 PolarHBondContact N-O 3.29Å; L181-F183 HydrophobicContact CB-CE2 4.03Å; L181-F183 HydrophobicContact CB-CZ 4.48Å
182S93.9Very high92.4Very high56 Ų5683 Ų8339%0.39244%0.44SS..EExtended strand (participates in β ladder)trans-107.7134.6177.3-1750000110.5Y129Y129-S182 WeakPolarHBondContact O-CA 3.21Å
183F88.5Confident92Very high106 Ų10677.3 Ų77.347%0.46543%0.428SS..EExtended strand (participates in β ladder)trans-120129.3174.4-60.9-87.9000108.5V128 Y129 L130 R131 L181V128-F183 HydrophobicContact CG1-CD2 4.01Å; V128-F183 HydrophobicContact CG1-CE2 3.92Å; Y129-F183 PolarHBondContact O-N 3.06Å; L130-F183 HydrophobicContact CD2-CB 4.49Å; L130-F183 HydrophobicContact CD2-CD2 4.33Å; R131-F183 WeakPolarHBondContact CB-O 3.08Å; R131-F183 PolarHBondContact N-O 3.02Å; L181-F183 HydrophobicContact CB-CE2 4.03Å; L181-F183 HydrophobicContact CB-CZ 4.48Å
184F83Confident91.8Very high156 Ų15678.8 Ų78.868%0.68444%0.442SS*.EExtended strand (participates in β ladder)trans-92.6125.8173.6-158.6-92.6000109R131R131-F184 HydrophobicContact CB-CD2 4.39Å; R131-F184 HydrophobicContact CG-CD2 4.04Å; R131-F184 HydrophobicContact CG-CE2 4.33Å; R131-F184 WeakPolarHBondContact O-CA 3.47Å
185S68Low91.5Very high85 Ų8582.3 Ų82.359%0.59444%0.444SS*.  trans-122.1017983.20000112.7R131 R140R131-S185 PolarHBondContact O-N 3.29Å; R140-S185 PolarHBondContact NH1-OG 3.39Å

Retrieved 185 of 185 residues in 113.4 ms (Link to these results)

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