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Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A077ZD61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 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
1M45.6Very low80.1Confident230 Ų23084.5 Ų84.5100%1.13345%0.449SS*.  092.30-72.3179.1-160.400109.1L3M1-L3 VanDerWaalsContact C-N 3.29Å
2L50Low81.6Confident140 Ų14077.5 Ų77.573%0.73341%0.411SS*.  trans-80-8.3-178.4-95.4150.6000113.9G4 T185L2-G4 VanDerWaalsContact C-N 3.33Å; L2-G4 PolarHBondContact O-N 3.36Å; L2-T185 HydrophobicContact CD1-CG2 3.88Å
3L57.9Low82.9Confident30 Ų3071.5 Ų71.516%0.15738%0.38CS..  trans-97.142.8170.1-67.4173.7000111.7M1 Q5 T6 F8 L184M1-L3 VanDerWaalsContact C-N 3.29Å; L3-Q5 PolarHBondContact O-N 2.99Å; L3-T6 HydrophobicContact CD2-CG2 4.05Å; L3-T6 PolarHBondContact O-N 3.19Å; L3-F8 HydrophobicContact CD1-CD2 4.05Å; L3-F8 HydrophobicContact CD1-CE2 3.28Å; L3-F8 HydrophobicContact CD1-CZ 3.65Å; L3-L184 HydrophobicContact CD1-CD1 3.71Å; L3-L184 HydrophobicContact CG-CD1 4.48Å
4G65.5Low84Confident65 Ų6569 Ų6967%0.6737%0.374SS*.THydrogen-bonded Turntrans-44.1-25.8-166.100000117L2L2-G4 VanDerWaalsContact C-N 3.33Å; L2-G4 PolarHBondContact O-N 3.36Å
5Q85.2Confident84.9Confident175 Ų17565.8 Ų65.882%0.81836%0.355SS*.THydrogen-bonded Turntrans-142.210.7171.2-63.4-178.4-10.300114.5L3L3-Q5 PolarHBondContact O-N 2.99Å
6T95.2Very high85.8Confident19 Ų1961.7 Ų61.712%0.11733%0.333CS..PPolyproline II helixtrans-84.5124.4-176.5-56.60000109.5L3 V193 K200L3-T6 HydrophobicContact CD2-CG2 4.05Å; L3-T6 PolarHBondContact O-N 3.19Å; T6-V193 HydrophobicContact CG2-CG1 3.9Å; T6-V193 HydrophobicContact CG2-CG2 4.01Å; T6-K200 WeakPolarHBondContact CA-O 3.33Å; T6-K200 HydrophobicContact CG2-CB 4.17Å
7L96.4Very high86.5Confident52 Ų5259.9 Ų59.927%0.27233%0.326SS..PPolyproline II helixtrans-65.6136.2174-62.9-180000109.8P11 S12 F15 K200 V201 S202L7-P11 HydrophobicContact CB-CB 4.44Å; L7-P11 HydrophobicContact CB-CG 4.28Å; L7-P11 HydrophobicContact CD2-CB 4.36Å; L7-S12 VanDerWaalsContact CB-OG 3.26Å; L7-S12 WeakPolarHBondContact CB-OG 3.26Å; L7-S12 PolarHBondContact O-OG 2.65Å; L7-F15 HydrophobicContact CD1-CB 3.98Å; L7-F15 HydrophobicContact CD1-CD1 4.5Å; L7-F15 HydrophobicContact CD1-CG 4.28Å; L7-K200 PolarHBondContact N-O 3.46Å; L7-V201 HydrophobicContact CD1-CG1 4.4Å; L7-S202 WeakPolarHBondContact O-CB 3.41Å; L7-S202 PolarHBondContact O-N 2.86Å; L7-S202 PolarHBondContact O-OG 3.42Å
8F95.6Very high87.2Confident58 Ų5864.9 Ų64.925%0.25435%0.347SS..PPolyproline II helixtrans-65.9168.2169-92.4-113.7000111.1L3 R10 P11 S12 V177L3-F8 HydrophobicContact CD1-CD2 4.05Å; L3-F8 HydrophobicContact CD1-CE2 3.28Å; L3-F8 HydrophobicContact CD1-CZ 3.65Å; F8-R10 PolarHBondContact O-N 3.32Å; F8-P11 HydrophobicContact CB-CG 4.14Å; F8-P11 WeakPolarHBondContact O-CD 3.39Å; F8-P11 VanDerWaalsContact O-CG 3.3Å; F8-P11 WeakPolarHBondContact O-CG 3.38Å; F8-S12 VanDerWaalsContact O-CB 3.24Å; F8-S12 WeakPolarHBondContact O-CB 3.28Å; F8-S12 PolarHBondContact O-N 3.38Å; F8-S12 PolarHBondContact O-OG 2.95Å; F8-V177 HydrophobicContact CE1-CG1 4.48Å
9P96.9Very high87.8Confident4 Ų464.5 Ų64.53%0.02635%0.345CS..Hα-helixtrans-52.1-48.6-173.4-32.338.4000114.9S12 G13 S202 L204 Q208 T233 I281P9-S12 WeakPolarHBondContact O-CB 3.37Å; P9-S12 PolarHBondContact O-N 3.44Å; P9-G13 PolarHBondContact O-N 2.88Å; P9-S202 WeakPolarHBondContact CA-O 3.14Å; P9-L204 HydrophobicContact CG-CB 4.02Å; P9-L204 HydrophobicContact CG-CD1 4Å; P9-L204 HydrophobicContact CG-CG 4Å; P9-Q208 HydrophobicContact CG-CG 4.49Å; P9-T233 HydrophobicContact CB-CG2 4.13Å; P9-T233 VanDerWaalsContact CB-OG1 3.24Å; P9-T233 WeakPolarHBondContact CB-OG1 3.31Å; P9-I281 HydrophobicContact CB-CD1 4.23Å; P9-I281 WeakPolarHBondContact O-CG2 3.45Å
10R96.4Very high88.3Confident97 Ų9762.1 Ų62.137%0.36633%0.333SS..Hα-helixtrans-60.4-57179.9-170.2-179.8-60.5-112.2-1.8113.4F8 S12 G13 A14 D230 L232 T233F8-R10 PolarHBondContact O-N 3.32Å; R10-S12 PolarHBondContact O-N 3.38Å; R10-G13 PolarHBondContact O-N 3.12Å; R10-A14 PolarHBondContact O-N 3.05Å; R10-A14 VanDerWaalsContact O-N 3.15Å; R10-D230 PolarHBondContact NH2-O 3.31Å; R10-L232 PolarHBondContact NH2-O 2.87Å; R10-T233 HydrophobicContact CB-CG2 3.71Å; R10-T233 HydrophobicContact CG-CG2 4.42Å
11P96.8Very high88.8Confident60 Ų6064.7 Ų64.739%0.3934%0.343SS..Hα-helixtrans-66.1-24.317624.9-33.7000113.2L7 F8 F15L7-P11 HydrophobicContact CB-CB 4.44Å; L7-P11 HydrophobicContact CB-CG 4.28Å; L7-P11 HydrophobicContact CD2-CB 4.36Å; F8-P11 HydrophobicContact CB-CG 4.14Å; F8-P11 WeakPolarHBondContact O-CD 3.39Å; F8-P11 VanDerWaalsContact O-CG 3.3Å; F8-P11 WeakPolarHBondContact O-CG 3.38Å; P11-F15 WeakPolarHBondContact O-CB 3.47Å; P11-F15 PolarHBondContact O-N 3.17Å
12S98.1Very high91.3Very high0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-65.4-47.8171-64.10000111.4L7 F8 P9 R10 A14 F15 I16 V201 S202L7-S12 VanDerWaalsContact CB-OG 3.26Å; L7-S12 WeakPolarHBondContact CB-OG 3.26Å; L7-S12 PolarHBondContact O-OG 2.65Å; F8-S12 VanDerWaalsContact O-CB 3.24Å; F8-S12 WeakPolarHBondContact O-CB 3.28Å; F8-S12 PolarHBondContact O-N 3.38Å; F8-S12 PolarHBondContact O-OG 2.95Å; P9-S12 WeakPolarHBondContact O-CB 3.37Å; P9-S12 PolarHBondContact O-N 3.44Å; R10-S12 PolarHBondContact O-N 3.38Å; S12-A14 PolarHBondContact O-N 3.26Å; S12-F15 PolarHBondContact O-N 3Å; S12-I16 WeakPolarHBondContact O-CB 3.48Å; S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 WeakPolarHBondContact O-CG1 3.5Å; S12-I16 PolarHBondContact O-N 3.1Å; S12-V201 WeakPolarHBondContact OG-CA 3.49Å; S12-S202 VanDerWaalsContact CB-O 3.3Å; S12-S202 WeakPolarHBondContact CB-O 3.25Å; S12-S202 PolarHBondContact OG-N 3.26Å; S12-S202 PolarHBondContact OG-O 3.47Å
13G98.1Very high93.6Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-56.9-49.8177.400000111.6P9 R10 I16 S17 G278 S282P9-G13 PolarHBondContact O-N 2.88Å; R10-G13 PolarHBondContact O-N 3.12Å; G13-I16 PolarHBondContact O-N 2.96Å; G13-S17 WeakPolarHBondContact O-CB 3.33Å; G13-S17 PolarHBondContact O-N 3.36Å; G13-S17 PolarHBondContact O-OG 3.43Å; G13-G278 WeakPolarHBondContact CA-O 3.49Å; G13-S282 WeakPolarHBondContact O-CB 3.15Å
14A98Very high95.5Very high36 Ų3651.9 Ų51.930%0.29828%0.276SS..Hα-helixtrans-58.9-48.7177.100000112.3R10 S12 I16 S17 E18R10-A14 PolarHBondContact O-N 3.05Å; R10-A14 VanDerWaalsContact O-N 3.15Å; S12-A14 PolarHBondContact O-N 3.26Å; A14-I16 VanDerWaalsContact C-N 3.32Å; A14-I16 PolarHBondContact O-N 3.14Å; A14-S17 PolarHBondContact O-N 3.02Å; A14-S17 PolarHBondContact O-OG 2.87Å; A14-S17 VanDerWaalsContact O-OG 3.05Å; A14-E18 WeakPolarHBondContact O-CB 3.4Å; A14-E18 VanDerWaalsContact O-CG 3.24Å; A14-E18 WeakPolarHBondContact O-CG 3.3Å; A14-E18 PolarHBondContact O-N 2.91Å
15F98.4Very high97Very high21 Ų2151.2 Ų51.29%0.09226%0.257CS..Hα-helixtrans-62.3-40178.3175.7-105.8000112.4L7 P11 S12 N19 Y196 K197 K199 V201L7-F15 HydrophobicContact CD1-CB 3.98Å; L7-F15 HydrophobicContact CD1-CD1 4.5Å; L7-F15 HydrophobicContact CD1-CG 4.28Å; P11-F15 WeakPolarHBondContact O-CB 3.47Å; P11-F15 PolarHBondContact O-N 3.17Å; S12-F15 PolarHBondContact O-N 3Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.42Å; F15-N19 PolarHBondContact O-N 3.35Å; F15-N19 PolarHBondContact O-ND2 3.27Å; F15-Y196 HydrophobicContact CD1-CD1 4.31Å; F15-Y196 AromaticContact CE1-CD1 3.94Å; F15-Y196 HydrophobicContact CE1-CD1 3.94Å; F15-Y196 WeakPolarHBondContact CE1-O 3.39Å; F15-K197 HydrophobicContact CZ-CB 4.34Å; F15-K199 HydrophobicContact CD1-CB 4.31Å; F15-K199 HydrophobicContact CD1-CD 4.12Å; F15-K199 HydrophobicContact CD2-CD 3.91Å; F15-K199 HydrophobicContact CE1-CB 3.75Å; F15-K199 HydrophobicContact CE1-CD 3.77Å; F15-K199 HydrophobicContact CE1-CG 3.92Å; F15-K199 HydrophobicContact CE2-CD 3.55Å; F15-K199 VanDerWaalsContact CE2-CE 3.42Å; F15-K199 HydrophobicContact CE2-CG 4.32Å; F15-K199 HydrophobicContact CG-CD 4.19Å; F15-K199 HydrophobicContact CZ-CB 4.11Å; F15-K199 HydrophobicContact CZ-CD 3.47Å; F15-K199 VanDerWaalsContact CZ-CD 3.47Å; F15-K199 HydrophobicContact CZ-CG 3.74Å; F15-V201 HydrophobicContact CD1-CG1 3.92Å
16I98.7Very high97.6Very high0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-68-45.9178.9-67.5161000110.4S12 G13 A14 N19 S20 Y196 V201 F203 V274 E275S12-I16 WeakPolarHBondContact O-CB 3.48Å; S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 WeakPolarHBondContact O-CG1 3.5Å; S12-I16 PolarHBondContact O-N 3.1Å; G13-I16 PolarHBondContact O-N 2.96Å; A14-I16 VanDerWaalsContact C-N 3.32Å; A14-I16 PolarHBondContact O-N 3.14Å; I16-N19 CarbonylContact O-C 3.54Å; I16-N19 PolarHBondContact O-N 2.83Å; I16-N19 VanDerWaalsContact O-N 3.13Å; I16-S20 WeakPolarHBondContact O-CB 3.2Å; I16-S20 PolarHBondContact O-N 3.15Å; I16-Y196 HydrophobicContact CB-CD1 4.36Å; I16-Y196 HydrophobicContact CB-CE1 4.36Å; I16-Y196 HydrophobicContact CG1-CD1 3.8Å; I16-Y196 HydrophobicContact CG1-CE1 4.29Å; I16-Y196 HydrophobicContact CG1-CG 4.27Å; I16-Y196 HydrophobicContact CG2-CD1 4.48Å; I16-Y196 HydrophobicContact CG2-CE1 4.19Å; I16-V201 HydrophobicContact CD1-CB 4.13Å; I16-V201 HydrophobicContact CD1-CG1 4.25Å; I16-V201 HydrophobicContact CD1-CG2 4.08Å; I16-V201 HydrophobicContact CG1-CG1 4.2Å; I16-F203 HydrophobicContact CD1-CE1 3.8Å; I16-F203 HydrophobicContact CD1-CZ 3.83Å; I16-V274 HydrophobicContact CD1-CG1 3.74Å; I16-V274 HydrophobicContact CG1-CG1 4.1Å; I16-V274 HydrophobicContact CG2-CG1 4.49Å; I16-E275 HydrophobicContact CG2-CB 4.48Å; I16-E275 HydrophobicContact CG2-CG 4.19Å
17S98.2Very high97.6Very high32 Ų3247 Ų4722%0.22425%0.245CC..Hα-helixtrans-66.3-39.5-177.564.90000112.9G13 A14 N19 S20 S282G13-S17 WeakPolarHBondContact O-CB 3.33Å; G13-S17 PolarHBondContact O-N 3.36Å; G13-S17 PolarHBondContact O-OG 3.43Å; A14-S17 PolarHBondContact O-N 3.02Å; A14-S17 PolarHBondContact O-OG 2.87Å; A14-S17 VanDerWaalsContact O-OG 3.05Å; S17-N19 PolarHBondContact O-N 3.47Å; S17-S20 PolarHBondContact O-N 3.35Å; S17-S282 WeakPolarHBondContact CB-OG 3.24Å; S17-S282 WeakPolarHBondContact OG-CB 3.48Å; S17-S282 PolarHBondContact OG-OG 3.34Å
18E98.1Very high97.6Very high150 Ų15048.1 Ų48.170%0.70126%0.257SS*.Hα-helixtrans-61.1-24173.7-74.8170.9-17400113.2A14A14-E18 WeakPolarHBondContact O-CB 3.4Å; A14-E18 VanDerWaalsContact O-CG 3.24Å; A14-E18 WeakPolarHBondContact O-CG 3.3Å; A14-E18 PolarHBondContact O-N 2.91Å
19N98.5Very high97.7Very high57 Ų5745.3 Ų45.331%0.30525%0.245SC..Hα-helixtrans-118.35.4-174.1-65.3-93.2000113.2F15 I16 S17 Y196 K197F15-N19 WeakPolarHBondContact CE2-ND2 3.42Å; F15-N19 PolarHBondContact O-N 3.35Å; F15-N19 PolarHBondContact O-ND2 3.27Å; I16-N19 CarbonylContact O-C 3.54Å; I16-N19 PolarHBondContact O-N 2.83Å; I16-N19 VanDerWaalsContact O-N 3.13Å; S17-N19 PolarHBondContact O-N 3.47Å; N19-Y196 HydrophobicContact CB-CE1 4.12Å; N19-Y196 PolarHBondContact O-OH 2.98Å; N19-Y196 VanDerWaalsContact O-OH 3.1Å; N19-K197 HydrophobicContact CB-CD 3.83Å; N19-K197 WeakPolarHBondContact O-CE 3.21Å; N19-K197 PolarHBondContact O-NZ 3.17Å
20S98.5Very high97.7Very high15 Ų1545.1 Ų45.111%0.10524%0.244CC..  trans-72.4140.1-176.3177.20000111.8I16 S17 V23 E275I16-S20 WeakPolarHBondContact O-CB 3.2Å; I16-S20 PolarHBondContact O-N 3.15Å; S17-S20 PolarHBondContact O-N 3.35Å; S20-V23 WeakPolarHBondContact CB-O 3.41Å; S20-V23 PolarHBondContact OG-N 3.4Å; S20-V23 PolarHBondContact OG-O 3.14Å; S20-E275 VanDerWaalsContact OG-CD 3.27Å; S20-E275 WeakPolarHBondContact OG-CG 3.38Å; S20-E275 PolarHBondContact OG-OE2 2.87Å
21E98.4Very high97.8Very high117 Ų11745 Ų4555%0.54725%0.247SC..SBendtrans-104.9-26.3178.6-69.9171-153.900112K197 E275E21-K197 WeakPolarHBondContact OE1-CE 3.3Å; E21-K197 IonicContact OE1-NZ 2.65Å; E21-K197 PolarHBondContact OE1-NZ 3.16Å; E21-E275 PolarHBondContact N-OE2 3.22Å
22H98.4Very high97.8Very high32 Ų3247.7 Ų47.715%0.14825%0.253CS..SBendtrans-115.7-9.6-170.9-65.2-69.1000114.5Y252 S253 L256 M272 E275H22-Y252 WeakPolarHBondContact O-CA 3.21Å; H22-S253 WeakPolarHBondContact CB-OG 3.13Å; H22-S253 PolarHBondContact ND1-OG 2.9Å; H22-S253 PolarHBondContact O-N 3.38Å; H22-L256 HydrophobicContact CB-CB 4.29Å; H22-L256 HydrophobicContact CB-CD2 4.21Å; H22-M272 HydrophobicContact CB-CG 4.25Å; H22-M272 WeakPolarHBondContact CE1-CE 3.32Å; H22-M272 VanDerWaalsContact NE2-CE 3.3Å; H22-M272 WeakPolarHBondContact NE2-CE 3.31Å; H22-E275 WeakPolarHBondContact CB-OE2 3.49Å; H22-E275 PolarHBondContact N-OE2 2.93Å
23V98.5Very high97.8Very high2 Ų247.7 Ų47.71%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-133.8116-178.7-173.60000110.6S20 L250 E251 Y252 L256 E275 I276 C279S20-V23 WeakPolarHBondContact CB-O 3.41Å; S20-V23 PolarHBondContact OG-N 3.4Å; S20-V23 PolarHBondContact OG-O 3.14Å; V23-L250 HydrophobicContact CG1-CB 4.39Å; V23-L250 HydrophobicContact CG1-CD1 4.42Å; V23-L250 HydrophobicContact CG1-CD2 4.14Å; V23-E251 WeakPolarHBondContact CA-O 3Å; V23-Y252 HydrophobicContact CB-CD1 4.3Å; V23-Y252 HydrophobicContact CB-CE1 4.42Å; V23-Y252 HydrophobicContact CG1-CD1 3.94Å; V23-Y252 HydrophobicContact CG1-CE1 3.76Å; V23-Y252 HydrophobicContact CG2-CD1 3.8Å; V23-Y252 HydrophobicContact CG2-CE1 3.87Å; V23-L256 HydrophobicContact CG2-CD2 3.64Å; V23-E275 HydrophobicContact CB-CB 4.31Å; V23-E275 HydrophobicContact CG2-CB 3.9Å; V23-I276 HydrophobicContact CG2-CG1 3.88Å; V23-C279 HydrophobicContact CB-CB 4.11Å; V23-C279 HydrophobicContact CG1-CB 3.48Å; V23-C279 VanDerWaalsContact CG1-CB 3.48Å; V23-C279 PolarHBondContact O-SG 3Å
24H98Very high97.7Very high97 Ų9747.7 Ų47.745%0.44925%0.253SS..EExtended strand (participates in β ladder)trans-112.4146.5179.2-55.1-62.5000111.3L250 E251H24-L250 CarbonylContact O-C 3.25Å; H24-L250 WeakPolarHBondContact O-CA 3.27Å; H24-E251 PolarHBondContact N-O 2.99Å; H24-E251 PolarHBondContact O-N 3.29Å
25I97.7Very high97.7Very high52 Ų5249.6 Ų49.627%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-93.4129.9175.5-57.5173.8000108.2I30 A249 L250 C279I25-I30 HydrophobicContact CG2-CD1 3.8Å; I25-I30 HydrophobicContact CG2-CG1 3.86Å; I25-A249 WeakPolarHBondContact CA-O 3.18Å; I25-L250 HydrophobicContact CG1-CD2 3.87Å; I25-C279 HydrophobicContact CD1-CB 4.48Å; I25-C279 HydrophobicContact CG1-CB 4.24Å
26S97.3Very high97.5Very high15 Ų1549.6 Ų49.611%0.10526%0.258CS..  trans-111.3114.1-177.7-1720000110.4S28 G29 I30 G248 A249 E251S26-S28 PolarHBondContact O-N 3.36Å; S26-S28 PolarHBondContact OG-OG 2.91Å; S26-G29 WeakPolarHBondContact O-CA 3.47Å; S26-G29 PolarHBondContact O-N 2.92Å; S26-I30 WeakPolarHBondContact O-CG1 3.37Å; S26-I30 PolarHBondContact O-N 3.33Å; S26-G248 WeakPolarHBondContact CB-O 3.23Å; S26-A249 PolarHBondContact N-O 3.15Å; S26-E251 WeakPolarHBondContact CB-OE1 3.44Å; S26-E251 PolarHBondContact OG-OE1 3.31Å
27P95.4Very high97.4Very high89 Ų8949.6 Ų49.658%0.57826%0.258SS*.Hα-helixtrans-55.8-36.8-179-28.235.3000113.2G29 I30 H31P27-G29 VanDerWaalsContact C-N 3.26Å; P27-G29 PolarHBondContact O-N 2.93Å; P27-I30 WeakPolarHBondContact O-CB 3.44Å; P27-I30 PolarHBondContact O-N 3.47Å; P27-H31 PolarHBondContact O-N 3.25Å
28S95.8Very high97.3Very high76 Ų7648.5 Ų48.553%0.53125%0.249SC..Hα-helixtrans-64-32.2177.374.30000113.2S26 K32S26-S28 PolarHBondContact O-N 3.36Å; S26-S28 PolarHBondContact OG-OG 2.91Å; S28-K32 WeakPolarHBondContact O-CG 3.45Å
29G96.9Very high97.2Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-79.9-36.9175.600000112.6S26 P27 H31 K32 V33S26-G29 WeakPolarHBondContact O-CA 3.47Å; S26-G29 PolarHBondContact O-N 2.92Å; P27-G29 VanDerWaalsContact C-N 3.26Å; P27-G29 PolarHBondContact O-N 2.93Å; G29-H31 VanDerWaalsContact C-N 3.28Å; G29-H31 PolarHBondContact O-N 3.4Å; G29-K32 WeakPolarHBondContact O-CB 3.46Å; G29-K32 PolarHBondContact O-N 2.94Å; G29-K32 VanDerWaalsContact O-N 3.13Å; G29-V33 WeakPolarHBondContact O-CG2 3.43Å; G29-V33 PolarHBondContact O-N 2.65Å
30I97.6Very high96.9Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-53.1-49.9171.1-66-68.4000109.9I25 S26 P27 K32 V33 A34 A249 A283 E285 I286 E289I25-I30 HydrophobicContact CG2-CD1 3.8Å; I25-I30 HydrophobicContact CG2-CG1 3.86Å; S26-I30 WeakPolarHBondContact O-CG1 3.37Å; S26-I30 PolarHBondContact O-N 3.33Å; P27-I30 WeakPolarHBondContact O-CB 3.44Å; P27-I30 PolarHBondContact O-N 3.47Å; I30-K32 VanDerWaalsContact C-N 3.3Å; I30-K32 PolarHBondContact O-N 2.82Å; I30-V33 PolarHBondContact O-N 3.06Å; I30-V33 VanDerWaalsContact O-N 3.09Å; I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 3.06Å; I30-A249 HydrophobicContact CD1-CB 4.13Å; I30-A283 HydrophobicContact CD1-CB 3.67Å; I30-E285 HydrophobicContact CG2-CB 3.65Å; I30-I286 HydrophobicContact CB-CG1 4.48Å; I30-I286 HydrophobicContact CD1-CD1 3.91Å; I30-I286 HydrophobicContact CD1-CG1 3.59Å; I30-I286 HydrophobicContact CG2-CG1 3.94Å; I30-E289 WeakPolarHBondContact CG2-OE1 3.46Å
31H97.7Very high96.6Very high93 Ų9342 Ų4243%0.43122%0.22SC..Hα-helixtrans-57.3-40.5178-173.564.7000113.2P27 G29 A34 K35 E289P27-H31 PolarHBondContact O-N 3.25Å; G29-H31 VanDerWaalsContact C-N 3.28Å; G29-H31 PolarHBondContact O-N 3.4Å; H31-A34 PolarHBondContact O-N 3.43Å; H31-K35 WeakPolarHBondContact O-CB 3.37Å; H31-K35 PolarHBondContact O-N 2.89Å; H31-E289 WeakPolarHBondContact CA-OE2 3.45Å; H31-E289 IonicContact CG-OE2 2.77Å; H31-E289 IonicContact ND1-OE2 2.61Å; H31-E289 PolarHBondContact ND1-OE2 3.47Å
32K97.6Very high96.4Very high118 Ų11843 Ų4351%0.51322%0.222SC..Hα-helixtrans-64.4-41.5176.8-70.4170.6-175.6170.30112.1S28 G29 I30 A36 F247S28-K32 WeakPolarHBondContact O-CG 3.45Å; G29-K32 WeakPolarHBondContact O-CB 3.46Å; G29-K32 PolarHBondContact O-N 2.94Å; G29-K32 VanDerWaalsContact O-N 3.13Å; I30-K32 VanDerWaalsContact C-N 3.3Å; I30-K32 PolarHBondContact O-N 2.82Å; K32-A36 PolarHBondContact O-N 2.63Å; K32-A36 VanDerWaalsContact O-N 3.09Å; K32-F247 HydrophobicContact CB-CD1 4.48Å; K32-F247 WeakPolarHBondContact CD-O 3.33Å
33V97.3Very high96.1Very high0 Ų044.6 Ų44.60%024%0.241CC..Hα-helixtrans-67.4-45.9177.1-176.10000110.2G29 I30 K35 A36 V37 L244 F247 A249 I286 L312G29-V33 WeakPolarHBondContact O-CG2 3.43Å; G29-V33 PolarHBondContact O-N 2.65Å; I30-V33 PolarHBondContact O-N 3.06Å; I30-V33 VanDerWaalsContact O-N 3.09Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 2.81Å; V33-A36 WeakPolarHBondContact O-CB 3.44Å; V33-A36 PolarHBondContact O-N 2.99Å; V33-A36 VanDerWaalsContact O-N 3.09Å; V33-V37 HydrophobicContact CG1-CG2 4.5Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 2.74Å; V33-L244 HydrophobicContact CG1-CD2 4.17Å; V33-L244 HydrophobicContact CG2-CD2 4.07Å; V33-F247 HydrophobicContact CG2-CB 3.43Å; V33-F247 VanDerWaalsContact CG2-CB 3.43Å; V33-F247 HydrophobicContact CG2-CD2 3.92Å; V33-F247 HydrophobicContact CG2-CG 3.83Å; V33-A249 HydrophobicContact CG2-CB 3.81Å; V33-I286 HydrophobicContact CB-CD1 4.15Å; V33-I286 HydrophobicContact CB-CG1 4.22Å; V33-I286 HydrophobicContact CB-CG2 4.28Å; V33-I286 HydrophobicContact CG1-CD1 3.94Å; V33-I286 HydrophobicContact CG1-CG1 4.28Å; V33-I286 HydrophobicContact CG1-CG2 3.73Å; V33-L312 HydrophobicContact CG1-CD1 4.32Å; V33-L312 HydrophobicContact CG1-CD2 3.67Å
34A97.1Very high95.6Very high0 Ų047.3 Ų47.30%027%0.269CS..Hα-helixtrans-58.9-41.2177.400000111.9I30 H31 A36 V37 Y38 E289 S290 L293I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 3.06Å; H31-A34 PolarHBondContact O-N 3.43Å; A34-A36 PolarHBondContact O-N 2.63Å; A34-V37 PolarHBondContact O-N 3.31Å; A34-Y38 WeakPolarHBondContact O-CB 3.41Å; A34-Y38 PolarHBondContact O-N 2.73Å; A34-E289 HydrophobicContact CB-CB 3.56Å; A34-S290 VanDerWaalsContact CA-OG 3.3Å; A34-S290 WeakPolarHBondContact CA-OG 3.43Å; A34-S290 PolarHBondContact O-OG 2.68Å; A34-L293 HydrophobicContact CB-CD1 4.46Å
35K97.2Very high94.9Very high76 Ų7647.8 Ų47.833%0.3327%0.272SS..Hα-helixtrans-62.4-41.4174.3-172.266.4176.973.70112.5H31 V33 Y38 D39 L293H31-K35 WeakPolarHBondContact O-CB 3.37Å; H31-K35 PolarHBondContact O-N 2.89Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 2.81Å; K35-Y38 HydrophobicContact CD-CD1 4Å; K35-Y38 PolarHBondContact O-N 3.06Å; K35-D39 IonicContact NZ-OD1 3.99Å; K35-D39 PolarHBondContact NZ-OD1 3.41Å; K35-D39 IonicContact NZ-OD2 3.68Å; K35-D39 PolarHBondContact NZ-OD2 2.8Å; K35-D39 WeakPolarHBondContact O-CB 3.47Å; K35-D39 PolarHBondContact O-N 3.15Å; K35-L293 HydrophobicContact CD-CD1 4.42Å
36A95.8Very high94.2Very high20 Ų2046.6 Ų46.617%0.16527%0.266CS..Hα-helixtrans-64.8-40.9176.800000112.2K32 V33 A34 D39 A40 F247 F311K32-A36 PolarHBondContact O-N 2.63Å; K32-A36 VanDerWaalsContact O-N 3.09Å; V33-A36 WeakPolarHBondContact O-CB 3.44Å; V33-A36 PolarHBondContact O-N 2.99Å; V33-A36 VanDerWaalsContact O-N 3.09Å; A34-A36 PolarHBondContact O-N 2.63Å; A36-D39 PolarHBondContact O-N 3.12Å; A36-A40 PolarHBondContact O-N 3.32Å; A36-F247 HydrophobicContact CB-CZ 4.33Å; A36-F311 HydrophobicContact CB-CE1 4.35Å; A36-F311 HydrophobicContact CB-CZ 4.46Å
37V95.4Very high92.8Very high0 Ų047.3 Ų47.30%027%0.271CS..Hα-helixtrans-62.3-47.1173.5173.30000110.5V33 A34 D39 A40 A41 L46 I286 S290 L303 V308 F311V33-V37 HydrophobicContact CG1-CG2 4.5Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 2.74Å; A34-V37 PolarHBondContact O-N 3.31Å; V37-D39 PolarHBondContact O-N 3.06Å; V37-A40 PolarHBondContact O-N 2.93Å; V37-A41 PolarHBondContact O-N 3.18Å; V37-L46 HydrophobicContact CG1-CD1 3.79Å; V37-L46 WeakPolarHBondContact O-CD1 3.15Å; V37-I286 HydrophobicContact CG2-CG2 4.41Å; V37-S290 WeakPolarHBondContact CB-OG 3.42Å; V37-S290 WeakPolarHBondContact CG1-OG 3.29Å; V37-L303 HydrophobicContact CG1-CD1 4.04Å; V37-L303 HydrophobicContact CG1-CD2 4.43Å; V37-V308 HydrophobicContact CG1-CG2 4.12Å; V37-V308 HydrophobicContact CG2-CG1 4.06Å; V37-F311 HydrophobicContact CB-CD1 4.47Å; V37-F311 HydrophobicContact CB-CE1 4.46Å; V37-F311 HydrophobicContact CG2-CD1 3.7Å; V37-F311 HydrophobicContact CG2-CE1 3.86Å
38Y95.6Very high91.4Very high10 Ų1046.8 Ų46.84%0.03926%0.261CS..Hα-helixtrans-58.4-44.7175.5160.1-96000112.4A34 K35 A40 A41 K42 L293 N297 V299A34-Y38 WeakPolarHBondContact O-CB 3.41Å; A34-Y38 PolarHBondContact O-N 2.73Å; K35-Y38 HydrophobicContact CD-CD1 4Å; K35-Y38 PolarHBondContact O-N 3.06Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.32Å; Y38-A41 WeakPolarHBondContact O-CB 3.46Å; Y38-A41 PolarHBondContact O-N 3.04Å; Y38-K42 HydrophobicContact CE1-CD 4.34Å; Y38-K42 WeakPolarHBondContact O-CB 3.46Å; Y38-K42 PolarHBondContact O-N 3.28Å; Y38-L293 HydrophobicContact CD2-CB 3.73Å; Y38-L293 HydrophobicContact CE2-CB 4.42Å; Y38-L293 WeakPolarHBondContact CE2-O 3.47Å; Y38-L293 HydrophobicContact CG-CB 3.86Å; Y38-L293 HydrophobicContact CG-CD1 4.49Å; Y38-N297 HydrophobicContact CE2-CB 3.84Å; Y38-N297 WeakPolarHBondContact OH-CB 3.45Å; Y38-V299 HydrophobicContact CE2-CB 4.42Å; Y38-V299 HydrophobicContact CE2-CG2 3.68Å
39D95.6Very high90.1Very high71 Ų7146.5 Ų46.538%0.3825%0.253SS..Hα-helixtrans-64.5-38.4179.6-75.5-30.7000111.5K35 A36 V37 K42 A43K35-D39 IonicContact NZ-OD1 3.99Å; K35-D39 PolarHBondContact NZ-OD1 3.41Å; K35-D39 IonicContact NZ-OD2 3.68Å; K35-D39 PolarHBondContact NZ-OD2 2.8Å; K35-D39 WeakPolarHBondContact O-CB 3.47Å; K35-D39 PolarHBondContact O-N 3.15Å; A36-D39 PolarHBondContact O-N 3.12Å; V37-D39 PolarHBondContact O-N 3.06Å; D39-K42 PolarHBondContact O-N 3.13Å; D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 3.43Å
40A93.2Very high88.7Confident5 Ų547.3 Ų47.34%0.04126%0.258CS..Hα-helixtrans-65.5-40.9172.500000112.5A36 V37 Y38 A43 G44 E45 L46 F311A36-A40 PolarHBondContact O-N 3.32Å; V37-A40 PolarHBondContact O-N 2.93Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.32Å; A40-A43 PolarHBondContact O-N 3.26Å; A40-G44 PolarHBondContact O-N 3.5Å; A40-E45 HydrophobicContact CB-CB 4.22Å; A40-E45 WeakPolarHBondContact O-CB 3.35Å; A40-E45 PolarHBondContact O-N 3.46Å; A40-L46 HydrophobicContact CB-CD1 4.28Å; A40-L46 HydrophobicContact CB-CD2 4.03Å; A40-L46 HydrophobicContact CB-CG 3.91Å; A40-F311 HydrophobicContact CB-CD2 3.76Å; A40-F311 HydrophobicContact CB-CE2 3.26Å; A40-F311 HydrophobicContact CB-CZ 3.71Å
41A92.5Very high87.8Confident10 Ų1047.8 Ų47.88%0.08326%0.259CS..Hα-helixtrans-59.3-47.5173.700000111.1V37 Y38 A43 G44 L46 V299 C301V37-A41 PolarHBondContact O-N 3.18Å; Y38-A41 WeakPolarHBondContact O-CB 3.46Å; Y38-A41 PolarHBondContact O-N 3.04Å; A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 PolarHBondContact O-N 3.06Å; A41-G44 PolarHBondContact O-N 3.13Å; A41-L46 HydrophobicContact CB-CD1 3.96Å; A41-L46 HydrophobicContact CB-CG 4.44Å; A41-V299 HydrophobicContact CB-CG1 4.08Å; A41-C301 HydrophobicContact CB-CB 3.96Å
42K93.1Very high86.8Confident137 Ų13745.4 Ų45.460%0.59625%0.249SC*.Hα-helixtrans-62.4-34.9178.7-176.3178.6-178.9174.10112.6Y38 D39 G44 V299Y38-K42 HydrophobicContact CE1-CD 4.34Å; Y38-K42 WeakPolarHBondContact O-CB 3.46Å; Y38-K42 PolarHBondContact O-N 3.28Å; D39-K42 PolarHBondContact O-N 3.13Å; K42-G44 PolarHBondContact O-N 3.41Å; K42-V299 HydrophobicContact CB-CG1 4.43Å; K42-V299 HydrophobicContact CB-CG2 4.23Å; K42-V299 HydrophobicContact CG-CG2 4.33Å
43A92.2Very high86Confident65 Ų6544.4 Ų44.454%0.53725%0.25SC..THydrogen-bonded Turntrans-76.8-5.6175.400000113.6D39 A40 A41 E45D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 3.43Å; A40-A43 PolarHBondContact O-N 3.26Å; A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 PolarHBondContact O-N 3.06Å; A43-E45 VanDerWaalsContact C-N 3.27Å; A43-E45 HydrophobicContact CB-CG 3.97Å
44G87.7Confident85.4Confident59 Ų5945 Ų4561%0.60825%0.253SS*.THydrogen-bonded Turntrans74.316.6-175.700000113.6A40 A41 K42 L46A40-G44 PolarHBondContact O-N 3.5Å; A41-G44 PolarHBondContact O-N 3.13Å; K42-G44 PolarHBondContact O-N 3.41Å; G44-L46 VanDerWaalsContact C-N 3.32Å
45E84.3Confident84.9Confident107 Ų10750.6 Ų50.650%0.528%0.284SS..  trans-81.3-15.1179.3-63.4-174.3-161.800112.7A40 A43 K318A40-E45 HydrophobicContact CB-CB 4.22Å; A40-E45 WeakPolarHBondContact O-CB 3.35Å; A40-E45 PolarHBondContact O-N 3.46Å; A43-E45 VanDerWaalsContact C-N 3.27Å; A43-E45 HydrophobicContact CB-CG 3.97Å; E45-K318 IonicContact OE2-NZ 2.78Å
46L83.1Confident84.5Confident27 Ų2747.3 Ų47.314%0.14127%0.27CS..  trans-98.188.7173.9-55.9-170.8000109.2V37 A40 A41 G44 L303 V307 F311V37-L46 HydrophobicContact CG1-CD1 3.79Å; V37-L46 WeakPolarHBondContact O-CD1 3.15Å; A40-L46 HydrophobicContact CB-CD1 4.28Å; A40-L46 HydrophobicContact CB-CD2 4.03Å; A40-L46 HydrophobicContact CB-CG 3.91Å; A41-L46 HydrophobicContact CB-CD1 3.96Å; A41-L46 HydrophobicContact CB-CG 4.44Å; G44-L46 VanDerWaalsContact C-N 3.32Å; L46-L303 HydrophobicContact CD1-CD2 3.63Å; L46-V307 HydrophobicContact CB-CG1 4.31Å; L46-F311 HydrophobicContact CD2-CB 3.54Å; L46-F311 HydrophobicContact CD2-CD2 3.61Å; L46-F311 HydrophobicContact CD2-CG 3.72Å
47S68.7Low84.3Confident31 Ų3146.7 Ų46.722%0.21726%0.264CS..  trans-87.4160.4167.7850000110N49 L50 D53S47-N49 PolarHBondContact OG-N 3.01Å; S47-N49 VanDerWaalsContact OG-N 3.14Å; S47-L50 WeakPolarHBondContact O-CD1 3.33Å; S47-L50 WeakPolarHBondContact O-CG 3.31Å; S47-L50 PolarHBondContact OG-N 3.09Å; S47-D53 PolarHBondContact OG-OD2 2.97Å
48Q64.9Low84Confident78 Ų7847.1 Ų47.136%0.36427%0.267SS..SBendtrans-81.9-11.3163.2-65.7-166-45.600111.9L50 Y216 N302Q48-L50 PolarHBondContact O-N 3.4Å; Q48-Y216 WeakPolarHBondContact O-CD1 3.47Å; Q48-N302 VanDerWaalsContact NE2-CB 3.27Å; Q48-N302 PolarHBondContact NE2-ND2 3.41Å
49N68.5Low83.7Confident69 Ų6953.1 Ų53.137%0.36929%0.293SS..  trans-91.319.4-177-67-33000111.6S47 W51 L52 D53S47-N49 PolarHBondContact OG-N 3.01Å; S47-N49 VanDerWaalsContact OG-N 3.14Å; N49-W51 PolarHBondContact O-N 3.05Å; N49-L52 HydrophobicContact CB-CB 4.2Å; N49-L52 HydrophobicContact CB-CD1 4.11Å; N49-L52 CarbonylContact O-C 3.59Å; N49-L52 WeakPolarHBondContact O-CA 3.21Å; N49-L52 WeakPolarHBondContact O-CB 3.47Å; N49-L52 PolarHBondContact O-N 2.79Å; N49-D53 VanDerWaalsContact O-CG 3.25Å; N49-D53 PolarHBondContact O-N 3.25Å
50L68.5Low83.5Confident18 Ų1851.6 Ų51.69%0.09428%0.284CS..THydrogen-bonded Turntrans-52.4-37.3-173.9-66.1159.6000112.8S47 Q48 C54 V307 Y310S47-L50 WeakPolarHBondContact O-CD1 3.33Å; S47-L50 WeakPolarHBondContact O-CG 3.31Å; S47-L50 PolarHBondContact OG-N 3.09Å; Q48-L50 PolarHBondContact O-N 3.4Å; L50-C54 PolarHBondContact O-N 3.01Å; L50-V307 HydrophobicContact CD1-CG1 4.23Å; L50-Y310 HydrophobicContact CB-CD1 3.81Å; L50-Y310 HydrophobicContact CB-CE1 3.64Å; L50-Y310 HydrophobicContact CB-CG 4.29Å; L50-Y310 HydrophobicContact CD1-CD1 3.51Å; L50-Y310 HydrophobicContact CD1-CE1 4.15Å; L50-Y310 HydrophobicContact CD1-CG 3.97Å; L50-Y310 HydrophobicContact CD2-CD1 3.65Å; L50-Y310 HydrophobicContact CD2-CE1 3.5Å; L50-Y310 VanDerWaalsContact CD2-CE1 3.5Å; L50-Y310 HydrophobicContact CG-CD1 3.8Å; L50-Y310 HydrophobicContact CG-CE1 3.89Å
51W77.3Confident83.5Confident10 Ų1055.7 Ų55.74%0.03831%0.313CS..THydrogen-bonded Turntrans-65-43.4174-170.9100.6000112.3N49 C54 H57 W68 C217N49-W51 PolarHBondContact O-N 3.05Å; W51-C54 WeakPolarHBondContact O-CB 3.45Å; W51-C54 PolarHBondContact O-N 3.04Å; W51-H57 AromaticContact CD1-CE1 3.75Å; W51-H57 AromaticContact CD1-ND1 3.68Å; W51-H57 AromaticContact CD2-ND1 3.69Å; W51-H57 AromaticContact CE2-ND1 3.56Å; W51-H57 AromaticContact CG-ND1 3.75Å; W51-H57 HydrophobicContact CH2-CB 4.25Å; W51-H57 HydrophobicContact CZ2-CB 4.19Å; W51-H57 AromaticContact NE1-CE1 3.77Å; W51-H57 AromaticContact NE1-ND1 3.57Å; W51-H57 PolarHBondContact O-ND1 3.29Å; W51-W68 AromaticContact CZ2-CD1 3.71Å; W51-W68 AromaticContact CZ2-NE1 3.94Å; W51-C217 HydrophobicContact CD2-CB 3.45Å; W51-C217 VanDerWaalsContact CD2-CB 3.45Å; W51-C217 HydrophobicContact CE3-CB 3.49Å; W51-C217 VanDerWaalsContact CE3-CB 3.49Å; W51-C217 HydrophobicContact CG-CB 4.02Å; W51-C217 HydrophobicContact CH2-CB 4.05Å; W51-C217 HydrophobicContact CZ2-CB 3.98Å; W51-C217 HydrophobicContact CZ3-CB 3.81Å
52L77.6Confident83.5Confident42 Ų4257.1 Ų57.122%0.2233%0.328CS..THydrogen-bonded Turntrans-71.6-31.5179.7-64.6167.6000112.2N49 C54 K59 K219N49-L52 HydrophobicContact CB-CB 4.2Å; N49-L52 HydrophobicContact CB-CD1 4.11Å; N49-L52 CarbonylContact O-C 3.59Å; N49-L52 WeakPolarHBondContact O-CA 3.21Å; N49-L52 WeakPolarHBondContact O-CB 3.47Å; N49-L52 PolarHBondContact O-N 2.79Å; L52-C54 PolarHBondContact O-N 3.38Å; L52-K59 PolarHBondContact O-NZ 3.18Å; L52-K219 HydrophobicContact CD1-CD 4.16Å; L52-K219 HydrophobicContact CD1-CG 3.74Å
53D81.4Confident83.7Confident97 Ų9756.6 Ų56.652%0.51932%0.322SS..THydrogen-bonded Turntrans-79.5-8.4-179.7-61.4-24.4000112S47 N49 D55S47-D53 PolarHBondContact OG-OD2 2.97Å; N49-D53 VanDerWaalsContact O-CG 3.25Å; N49-D53 PolarHBondContact O-N 3.25Å; D53-D55 PolarHBondContact O-N 2.94Å
54C83.9Confident83.8Confident12 Ų1259 Ų598%0.08132%0.323CS..  trans-76.8116.6176-171.70000111.3L50 W51 L52 V56 H57 K59L50-C54 PolarHBondContact O-N 3.01Å; W51-C54 WeakPolarHBondContact O-CB 3.45Å; W51-C54 PolarHBondContact O-N 3.04Å; L52-C54 PolarHBondContact O-N 3.38Å; C54-V56 VanDerWaalsContact C-N 3.27Å; C54-V56 PolarHBondContact O-N 3.39Å; C54-V56 WeakPolarHBondContact SG-CG2 3.43Å; C54-H57 HydrophobicContact CB-CB 4.28Å; C54-H57 WeakPolarHBondContact CB-ND1 3.32Å; C54-H57 PolarHBondContact O-N 3.3Å; C54-K59 PolarHBondContact O-NZ 3.19Å; C54-K59 VanDerWaalsContact O-NZ 3.11Å
55D86.8Confident84.2Confident119 Ų11956.1 Ų56.164%0.63629%0.294SS*.THydrogen-bonded Turntrans-66.5-27.1-176.3-70.6-34.3000114.3D53 H57 K105D53-D55 PolarHBondContact O-N 2.94Å; D55-H57 VanDerWaalsContact C-N 3.32Å; D55-K105 PolarHBondContact O-NZ 3.2Å
56V89Confident84.8Confident7 Ų751 Ų514%0.04227%0.27CS..THydrogen-bonded Turntrans-85.8-5.4179.8-58.90000113C54 L94 L98 C101 C102C54-V56 VanDerWaalsContact C-N 3.27Å; C54-V56 PolarHBondContact O-N 3.39Å; C54-V56 WeakPolarHBondContact SG-CG2 3.43Å; V56-L94 HydrophobicContact CG1-CD1 3.47Å; V56-L94 VanDerWaalsContact CG1-CD1 3.47Å; V56-L98 HydrophobicContact CG2-CB 4.35Å; V56-L98 HydrophobicContact CG2-CD2 3.69Å; V56-C101 HydrophobicContact CB-CB 4.03Å; V56-C101 HydrophobicContact CG2-CB 3.68Å; V56-C102 HydrophobicContact CB-CB 4.45Å; V56-C102 HydrophobicContact CG1-CB 4.23Å
57H90.2Very high85.6Confident6 Ų650.3 Ų50.33%0.02827%0.266CS..SBendtrans-85.5135.2169.8-65.2170000110W51 C54 D55 Y97W51-H57 AromaticContact CD1-CE1 3.75Å; W51-H57 AromaticContact CD1-ND1 3.68Å; W51-H57 AromaticContact CD2-ND1 3.69Å; W51-H57 AromaticContact CE2-ND1 3.56Å; W51-H57 AromaticContact CG-ND1 3.75Å; W51-H57 HydrophobicContact CH2-CB 4.25Å; W51-H57 HydrophobicContact CZ2-CB 4.19Å; W51-H57 AromaticContact NE1-CE1 3.77Å; W51-H57 AromaticContact NE1-ND1 3.57Å; W51-H57 PolarHBondContact O-ND1 3.29Å; C54-H57 HydrophobicContact CB-CB 4.28Å; C54-H57 WeakPolarHBondContact CB-ND1 3.32Å; C54-H57 PolarHBondContact O-N 3.3Å; D55-H57 VanDerWaalsContact C-N 3.32Å; H57-Y97 PolarHBondContact NE2-OH 2.95Å
58P89.6Confident86.9Confident10 Ų1048.9 Ų48.97%0.06526%0.256CS..  trans-65.6143.7173.632.6-37.6000109.3L60 W68 K105 L108P58-L60 HydrophobicContact CB-CD1 4.04Å; P58-L60 HydrophobicContact CB-CD2 4.27Å; P58-L60 HydrophobicContact CB-CG 3.78Å; P58-L60 HydrophobicContact CG-CD1 3.53Å; P58-L60 HydrophobicContact CG-CG 3.77Å; P58-L60 PolarHBondContact O-N 3.43Å; P58-W68 HydrophobicContact CG-CD2 3.62Å; P58-W68 HydrophobicContact CG-CE3 3.76Å; P58-W68 HydrophobicContact CG-CG 4.18Å; P58-W68 HydrophobicContact CG-CH2 3.9Å; P58-W68 HydrophobicContact CG-CZ2 3.86Å; P58-W68 HydrophobicContact CG-CZ3 3.88Å; P58-K105 HydrophobicContact CB-CG 4.35Å; P58-L108 HydrophobicContact CB-CD1 4.06Å; P58-L108 HydrophobicContact CG-CD1 3.91Å
59K89.9Confident88.4Confident135 Ų13545.2 Ų45.259%0.58724%0.239SC*.  trans-82.765-179.7-53.9-52-175.7-167.60110.3L52 C54L52-K59 PolarHBondContact O-NZ 3.18Å; C54-K59 PolarHBondContact O-NZ 3.19Å; C54-K59 VanDerWaalsContact O-NZ 3.11Å
60L91.7Very high89.8Confident39 Ų3942.1 Ų42.120%0.20422%0.222CC..  trans-88.5166.1-178.8-58174.8000111.4P58 E64 A65 W68 L108P58-L60 HydrophobicContact CB-CD1 4.04Å; P58-L60 HydrophobicContact CB-CD2 4.27Å; P58-L60 HydrophobicContact CB-CG 3.78Å; P58-L60 HydrophobicContact CG-CD1 3.53Å; P58-L60 HydrophobicContact CG-CG 3.77Å; P58-L60 PolarHBondContact O-N 3.43Å; L60-E64 HydrophobicContact CB-CB 4.11Å; L60-E64 HydrophobicContact CD1-CB 4.18Å; L60-E64 HydrophobicContact CD2-CB 4.17Å; L60-E64 HydrophobicContact CG-CB 4.37Å; L60-A65 HydrophobicContact CB-CB 3.96Å; L60-W68 HydrophobicContact CD1-CB 3.8Å; L60-W68 HydrophobicContact CD1-CG 4.22Å; L60-L108 HydrophobicContact CD1-CD1 3.96Å
61S92.1Very high91.2Very high92 Ų9241.4 Ų41.464%0.64322%0.218SC*.  trans-141.4163.5173.5680000111.7R63 E64 A65S61-R63 PolarHBondContact O-N 3.42Å; S61-E64 PolarHBondContact O-N 3.27Å; S61-A65 PolarHBondContact O-N 3.38Å
62G93.4Very high92.2Very high39 Ų3941.1 Ų41.140%0.40222%0.217SC..Hα-helixtrans54.2-130.6174.100000113E64 A65 V66G62-E64 VanDerWaalsContact C-N 3.31Å; G62-E64 PolarHBondContact O-N 2.66Å; G62-A65 PolarHBondContact O-N 3.28Å; G62-V66 WeakPolarHBondContact O-CG2 3.32Å; G62-V66 PolarHBondContact O-N 3.38Å
63R96.2Very high93.1Very high126 Ų12639.1 Ų39.148%0.47521%0.207SC..Hα-helixtrans-55.4-43.3-178.3178.4-178.5173.6172.85.1112.9S61 A65 V66 D67 G163 L166S61-R63 PolarHBondContact O-N 3.42Å; R63-A65 PolarHBondContact O-N 2.92Å; R63-V66 PolarHBondContact O-N 2.91Å; R63-D67 WeakPolarHBondContact CG-OD2 3.44Å; R63-D67 IonicContact NE-OD2 3.18Å; R63-D67 PolarHBondContact NE-OD2 3.36Å; R63-D67 PolarHBondContact O-N 3.46Å; R63-G163 PolarHBondContact NH2-O 3.2Å; R63-L166 HydrophobicContact CB-CD2 4.02Å; R63-L166 HydrophobicContact CG-CD2 4.39Å
64E96Very high93.9Very high115 Ų11534.5 Ų34.554%0.53718%0.182SC..Hα-helixtrans-66.9-39.7-173.9-62.4178.8152.300111.6L60 S61 G62 V66 W68L60-E64 HydrophobicContact CB-CB 4.11Å; L60-E64 HydrophobicContact CD1-CB 4.18Å; L60-E64 HydrophobicContact CD2-CB 4.17Å; L60-E64 HydrophobicContact CG-CB 4.37Å; S61-E64 PolarHBondContact O-N 3.27Å; G62-E64 VanDerWaalsContact C-N 3.31Å; G62-E64 PolarHBondContact O-N 2.66Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-W68 VanDerWaalsContact O-CB 3.3Å; E64-W68 WeakPolarHBondContact O-CB 3.47Å; E64-W68 PolarHBondContact O-N 3.22Å
65A95.3Very high94.6Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-63.3-41.2174.300000111.3L60 S61 G62 R63 W68 C69L60-A65 HydrophobicContact CB-CB 3.96Å; S61-A65 PolarHBondContact O-N 3.38Å; G62-A65 PolarHBondContact O-N 3.28Å; R63-A65 PolarHBondContact O-N 2.92Å; A65-W68 PolarHBondContact O-N 3.46Å; A65-C69 PolarHBondContact O-N 3.1Å; A65-C69 PolarHBondContact O-SG 3.34Å
66V97.7Very high95Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-65-48.9178.5171.20000111.9G62 R63 E64 W68 C69 F70 F165 L166 L169 L214 L218G62-V66 WeakPolarHBondContact O-CG2 3.32Å; G62-V66 PolarHBondContact O-N 3.38Å; R63-V66 PolarHBondContact O-N 2.91Å; E64-V66 VanDerWaalsContact C-N 3.33Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 2.96Å; V66-C69 PolarHBondContact O-N 2.74Å; V66-F70 PolarHBondContact O-N 3.15Å; V66-F165 HydrophobicContact CG1-CB 4.15Å; V66-F165 HydrophobicContact CG1-CD1 4.05Å; V66-L166 HydrophobicContact CG1-CB 4.16Å; V66-L166 HydrophobicContact CG2-CD1 4.25Å; V66-L169 HydrophobicContact CG1-CD2 4.25Å; V66-L169 HydrophobicContact CG2-CD2 3.77Å; V66-L214 HydrophobicContact CB-CD2 4Å; V66-L214 HydrophobicContact CG1-CD2 3.78Å; V66-L214 HydrophobicContact CG2-CD2 3.9Å; V66-L218 HydrophobicContact CG2-CD1 3.9Å
67D98Very high95.4Very high11 Ų1128.7 Ų28.76%0.05915%0.15CC..Hα-helixtrans-66.4-33.1179.8-72.9-26.1000111.3R63 M71 T164 F165R63-D67 WeakPolarHBondContact CG-OD2 3.44Å; R63-D67 IonicContact NE-OD2 3.18Å; R63-D67 PolarHBondContact NE-OD2 3.36Å; R63-D67 PolarHBondContact O-N 3.46Å; D67-M71 WeakPolarHBondContact O-CB 3.35Å; D67-M71 PolarHBondContact O-N 3.37Å; D67-T164 VanDerWaalsContact CG-OG1 3.27Å; D67-T164 WeakPolarHBondContact OD1-CA 3.36Å; D67-T164 PolarHBondContact OD1-OG1 3.2Å; D67-T164 PolarHBondContact OD2-OG1 3.38Å; D67-T164 VanDerWaalsContact OD2-OG1 3.04Å; D67-F165 PolarHBondContact OD1-N 2.79Å
68W97.1Very high95.7Very high2 Ų228.4 Ų28.41%0.00815%0.149CC..Hα-helixtrans-61.8-53169.6170.8-88.2000112.5W51 P58 L60 E64 A65 V66 F70 M71 V72 L104 K105 L108 T115W51-W68 AromaticContact CZ2-CD1 3.71Å; W51-W68 AromaticContact CZ2-NE1 3.94Å; P58-W68 HydrophobicContact CG-CD2 3.62Å; P58-W68 HydrophobicContact CG-CE3 3.76Å; P58-W68 HydrophobicContact CG-CG 4.18Å; P58-W68 HydrophobicContact CG-CH2 3.9Å; P58-W68 HydrophobicContact CG-CZ2 3.86Å; P58-W68 HydrophobicContact CG-CZ3 3.88Å; L60-W68 HydrophobicContact CD1-CB 3.8Å; L60-W68 HydrophobicContact CD1-CG 4.22Å; E64-W68 VanDerWaalsContact O-CB 3.3Å; E64-W68 WeakPolarHBondContact O-CB 3.47Å; E64-W68 PolarHBondContact O-N 3.22Å; A65-W68 PolarHBondContact O-N 3.46Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 2.96Å; W68-F70 VanDerWaalsContact C-N 3.27Å; W68-F70 PolarHBondContact O-N 2.87Å; W68-M71 HydrophobicContact CE3-CE 4.19Å; W68-M71 HydrophobicContact CZ3-CE 4.37Å; W68-M71 PolarHBondContact O-N 3.38Å; W68-V72 HydrophobicContact CD2-CG2 4.01Å; W68-V72 HydrophobicContact CG-CG2 4.36Å; W68-V72 HydrophobicContact CZ2-CG2 3.92Å; W68-V72 WeakPolarHBondContact O-CG2 3.25Å; W68-V72 PolarHBondContact O-N 2.88Å; W68-L104 HydrophobicContact CH2-CB 3.27Å; W68-L104 HydrophobicContact CH2-CD1 4.4Å; W68-L104 HydrophobicContact CH2-CG 4.47Å; W68-L104 HydrophobicContact CZ2-CB 4.26Å; W68-L104 HydrophobicContact CZ3-CB 3.52Å; W68-K105 HydrophobicContact CH2-CB 4.37Å; W68-L108 HydrophobicContact CE3-CD1 3.54Å; W68-L108 HydrophobicContact CE3-CG 4.43Å; W68-L108 HydrophobicContact CZ3-CD1 3.56Å; W68-L108 HydrophobicContact CZ3-CG 4.19Å; W68-T115 HydrophobicContact CB-CG2 4.17Å; W68-T115 HydrophobicContact CE3-CG2 3.8Å
69C96.7Very high95.9Very high1 Ų128.7 Ų28.71%0.00715%0.149CC..Hα-helixtrans-58.2-41.5-179.2-71.10000111.4A65 V66 S73 L210 D213 L214 C217A65-C69 PolarHBondContact O-N 3.1Å; A65-C69 PolarHBondContact O-SG 3.34Å; V66-C69 PolarHBondContact O-N 2.74Å; C69-S73 WeakPolarHBondContact O-CB 3.23Å; C69-S73 PolarHBondContact O-N 2.85Å; C69-S73 PolarHBondContact O-OG 3.11Å; C69-L210 HydrophobicContact CB-CD1 4.22Å; C69-D213 HydrophobicContact CB-CB 4.23Å; C69-L214 HydrophobicContact CB-CD2 3.84Å; C69-L214 HydrophobicContact CB-CG 4.24Å; C69-C217 VanDerWaalsContact SG-SG 3.67Å
70F98.3Very high96.1Very high4 Ų424.9 Ų24.92%0.01813%0.131CC..Hα-helixtrans-59.8-55.1174.4178-105.9000112V66 W68 V72 S73 V74 C153 L157 F165 F187 F190 L210V66-F70 PolarHBondContact O-N 3.15Å; W68-F70 VanDerWaalsContact C-N 3.27Å; W68-F70 PolarHBondContact O-N 2.87Å; F70-V72 PolarHBondContact O-N 2.8Å; F70-S73 PolarHBondContact O-N 3.1Å; F70-S73 VanDerWaalsContact O-N 3.13Å; F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CG2 4.36Å; F70-V74 HydrophobicContact CE1-CG2 3.85Å; F70-V74 HydrophobicContact CE2-CG2 3.98Å; F70-V74 HydrophobicContact CZ-CG2 3.73Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.45Å; F70-C153 HydrophobicContact CE1-CB 4.12Å; F70-C153 HydrophobicContact CZ-CB 3.82Å; F70-L157 HydrophobicContact CD1-CD1 3.7Å; F70-L157 HydrophobicContact CE1-CD1 3.38Å; F70-L157 HydrophobicContact CE1-CG 4.11Å; F70-L157 HydrophobicContact CZ-CD1 4.05Å; F70-L157 HydrophobicContact CZ-CG 4.34Å; F70-F165 HydrophobicContact CB-CB 3.68Å; F70-F165 HydrophobicContact CB-CD1 4.23Å; F70-F165 HydrophobicContact CB-CD2 4.19Å; F70-F165 HydrophobicContact CB-CG 3.76Å; F70-F165 HydrophobicContact CD1-CB 4.34Å; F70-F165 HydrophobicContact CD1-CD2 4.43Å; F70-F165 HydrophobicContact CD2-CB 4.13Å; F70-F165 HydrophobicContact CD2-CD1 4.29Å; F70-F165 AromaticContact CD2-CD2 3.07Å; F70-F165 HydrophobicContact CD2-CD2 3.07Å; F70-F165 AromaticContact CD2-CE2 3.44Å; F70-F165 HydrophobicContact CD2-CE2 3.44Å; F70-F165 VanDerWaalsContact CD2-CE2 3.44Å; F70-F165 AromaticContact CD2-CG 3.57Å; F70-F165 HydrophobicContact CD2-CG 3.57Å; F70-F165 HydrophobicContact CD2-CZ 4.21Å; F70-F165 AromaticContact CE2-CD2 3.37Å; F70-F165 HydrophobicContact CE2-CD2 3.37Å; F70-F165 AromaticContact CE2-CE2 3.57Å; F70-F165 HydrophobicContact CE2-CE2 3.57Å; F70-F165 HydrophobicContact CE2-CG 4.29Å; F70-F165 HydrophobicContact CG-CB 3.79Å; F70-F165 AromaticContact CG-CD2 3.66Å; F70-F165 HydrophobicContact CG-CD2 3.66Å; F70-F165 HydrophobicContact CG-CE2 4.42Å; F70-F165 AromaticContact CG-CG 3.73Å; F70-F165 HydrophobicContact CG-CG 3.73Å; F70-F165 HydrophobicContact CZ-CD2 4.16Å; F70-F187 HydrophobicContact CE2-CD1 4.27Å; F70-F187 HydrophobicContact CE2-CD2 4.43Å; F70-F187 HydrophobicContact CE2-CE1 4.14Å; F70-F187 HydrophobicContact CE2-CE2 4.32Å; F70-F187 HydrophobicContact CE2-CG 4.41Å; F70-F187 HydrophobicContact CE2-CZ 4.17Å; F70-F187 AromaticContact CZ-CD1 3.91Å; F70-F187 HydrophobicContact CZ-CD1 3.91Å; F70-F187 AromaticContact CZ-CE1 3.66Å; F70-F187 HydrophobicContact CZ-CE1 3.66Å; F70-F187 HydrophobicContact CZ-CG 4.49Å; F70-F187 HydrophobicContact CZ-CZ 4.05Å; F70-F190 HydrophobicContact CE2-CE2 4.21Å; F70-F190 HydrophobicContact CE2-CZ 4.48Å; F70-L210 HydrophobicContact CB-CD1 4.32Å; F70-L210 HydrophobicContact CD2-CD2 3.79Å; F70-L210 HydrophobicContact CE2-CD2 4.45Å
71M97.4Very high96.1Very high3 Ų324 Ų242%0.01513%0.129CC..Hα-helixtrans-57.8-49.5-177.4-178.9-80.2-72.900111.1D67 W68 S73 V74 I75 L104 I114 T115 L120 L150D67-M71 WeakPolarHBondContact O-CB 3.35Å; D67-M71 PolarHBondContact O-N 3.37Å; W68-M71 HydrophobicContact CE3-CE 4.19Å; W68-M71 HydrophobicContact CZ3-CE 4.37Å; W68-M71 PolarHBondContact O-N 3.38Å; M71-S73 VanDerWaalsContact C-N 3.3Å; M71-S73 PolarHBondContact O-N 2.7Å; M71-V74 PolarHBondContact O-N 3.03Å; M71-I75 WeakPolarHBondContact O-CG1 3.43Å; M71-I75 PolarHBondContact O-N 3.19Å; M71-I75 HydrophobicContact SD-CD1 3.49Å; M71-I75 WeakPolarHBondContact SD-CD1 3.44Å; M71-I75 HydrophobicContact SD-CG1 4.26Å; M71-L104 HydrophobicContact CE-CB 4.45Å; M71-L104 HydrophobicContact CE-CD1 3.9Å; M71-L104 HydrophobicContact CE-CD2 3.73Å; M71-L104 HydrophobicContact CE-CG 4.24Å; M71-L104 HydrophobicContact SD-CD1 4.17Å; M71-L104 HydrophobicContact SD-CD2 4.11Å; M71-I114 HydrophobicContact CE-CG2 4.31Å; M71-T115 HydrophobicContact CE-CG2 3.89Å; M71-L120 HydrophobicContact CG-CD1 4.03Å; M71-L150 HydrophobicContact CG-CD2 3.82Å
72V97Very high96Very high3 Ų328.6 Ų28.62%0.01814%0.138CC..Hα-helixtrans-56.2-46.9176.9171.40000110.3W68 F70 V74 I75 N76 Y97 L104W68-V72 HydrophobicContact CD2-CG2 4.01Å; W68-V72 HydrophobicContact CG-CG2 4.36Å; W68-V72 HydrophobicContact CZ2-CG2 3.92Å; W68-V72 WeakPolarHBondContact O-CG2 3.25Å; W68-V72 PolarHBondContact O-N 2.88Å; F70-V72 PolarHBondContact O-N 2.8Å; V72-V74 VanDerWaalsContact C-N 3.34Å; V72-V74 PolarHBondContact O-N 2.71Å; V72-I75 CarbonylContact O-C 3.5Å; V72-I75 PolarHBondContact O-N 3.06Å; V72-I75 VanDerWaalsContact O-N 3.12Å; V72-N76 VanDerWaalsContact O-CB 3.25Å; V72-N76 WeakPolarHBondContact O-CB 3.23Å; V72-N76 PolarHBondContact O-N 2.9Å; V72-Y97 HydrophobicContact CG1-CE2 3.93Å; V72-L104 HydrophobicContact CG2-CD1 3.91Å
73S97.5Very high96Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-65-32.5-178.5-64.60000114C69 F70 M71 I75 R206 L210C69-S73 WeakPolarHBondContact O-CB 3.23Å; C69-S73 PolarHBondContact O-N 2.85Å; C69-S73 PolarHBondContact O-OG 3.11Å; F70-S73 PolarHBondContact O-N 3.1Å; F70-S73 VanDerWaalsContact O-N 3.13Å; M71-S73 VanDerWaalsContact C-N 3.3Å; M71-S73 PolarHBondContact O-N 2.7Å; S73-I75 PolarHBondContact O-N 3.4Å; S73-R206 PolarHBondContact O-NE 3.13Å; S73-L210 WeakPolarHBondContact OG-CA 3.38Å; S73-L210 WeakPolarHBondContact OG-CB 3.49Å
74V98.2Very high95.9Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-61.7-36.5174.4172.90000110.8F70 M71 V72 F77 L149 L150 C153 F190 R206F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CG2 4.36Å; F70-V74 HydrophobicContact CE1-CG2 3.85Å; F70-V74 HydrophobicContact CE2-CG2 3.98Å; F70-V74 HydrophobicContact CZ-CG2 3.73Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.45Å; M71-V74 PolarHBondContact O-N 3.03Å; V72-V74 VanDerWaalsContact C-N 3.34Å; V72-V74 PolarHBondContact O-N 2.71Å; V74-F77 VanDerWaalsContact O-CE1 3.31Å; V74-F77 WeakPolarHBondContact O-CE1 3.38Å; V74-L149 HydrophobicContact CG1-CB 3.91Å; V74-L150 HydrophobicContact CB-CD2 3.89Å; V74-L150 HydrophobicContact CG1-CD2 3.76Å; V74-L150 HydrophobicContact CG1-CG 4.15Å; V74-C153 HydrophobicContact CG1-CB 4.38Å; V74-C153 HydrophobicContact CG2-CB 4.1Å; V74-F190 HydrophobicContact CB-CZ 4.47Å; V74-F190 HydrophobicContact CG2-CE2 3.82Å; V74-F190 HydrophobicContact CG2-CZ 3.78Å; V74-R206 PolarHBondContact O-NH2 3.41Å
75I97.4Very high96Very high1 Ų124.3 Ų24.31%0.00512%0.116CC..THydrogen-bonded Turntrans-112.212.8-172.365.2-177.7000114.6M71 V72 S73 F77 F100 R146 L150M71-I75 WeakPolarHBondContact O-CG1 3.43Å; M71-I75 PolarHBondContact O-N 3.19Å; M71-I75 HydrophobicContact SD-CD1 3.49Å; M71-I75 WeakPolarHBondContact SD-CD1 3.44Å; M71-I75 HydrophobicContact SD-CG1 4.26Å; V72-I75 CarbonylContact O-C 3.5Å; V72-I75 PolarHBondContact O-N 3.06Å; V72-I75 VanDerWaalsContact O-N 3.12Å; S73-I75 PolarHBondContact O-N 3.4Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.09Å; I75-F100 HydrophobicContact CD1-CE1 3.5Å; I75-F100 HydrophobicContact CD1-CZ 3.6Å; I75-F100 HydrophobicContact CG1-CE1 3.8Å; I75-F100 HydrophobicContact CG1-CZ 4.3Å; I75-R146 HydrophobicContact CB-CB 4.11Å; I75-R146 HydrophobicContact CB-CG 3.74Å; I75-R146 HydrophobicContact CG2-CB 3.67Å; I75-R146 HydrophobicContact CG2-CG 3.84Å; I75-R146 PolarHBondContact O-NE 2.85Å; I75-L150 HydrophobicContact CD1-CD1 4.15Å; I75-L150 HydrophobicContact CG2-CD1 3.69Å; I75-L150 HydrophobicContact CG2-CD2 3.93Å; I75-L150 HydrophobicContact CG2-CG 3.51Å
76N95.9Very high96.1Very high16 Ų1625.1 Ų25.19%0.08612%0.121CC..  trans-81.367.3-179.8-171.911000112.2V72 F79 Y97 K205V72-N76 VanDerWaalsContact O-CB 3.25Å; V72-N76 WeakPolarHBondContact O-CB 3.23Å; V72-N76 PolarHBondContact O-N 2.9Å; N76-F79 WeakPolarHBondContact OD1-CE2 3.29Å; N76-Y97 WeakPolarHBondContact OD1-CD2 3.33Å; N76-K205 PolarHBondContact O-NZ 3.04Å
77F97.2Very high96.1Very high0 Ų025.1 Ų25.10%012%0.121CC..  trans-150.6147.7178.458.1-96.7000113.1V74 I75 L142 R145 R146 L149 I335 Y337V74-F77 VanDerWaalsContact O-CE1 3.31Å; V74-F77 WeakPolarHBondContact O-CE1 3.38Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.09Å; F77-L142 HydrophobicContact CD2-CD1 4.28Å; F77-L142 HydrophobicContact CE2-CB 3.93Å; F77-L142 HydrophobicContact CE2-CD1 4.19Å; F77-R145 HydrophobicContact CE2-CB 4.5Å; F77-R145 HydrophobicContact CZ-CB 4.4Å; F77-R146 HydrophobicContact CE1-CG 4.05Å; F77-R146 HydrophobicContact CE2-CG 3.98Å; F77-R146 HydrophobicContact CZ-CB 4.37Å; F77-R146 HydrophobicContact CZ-CG 3.47Å; F77-R146 VanDerWaalsContact CZ-CG 3.47Å; F77-R146 VanDerWaalsContact O-CZ 3.25Å; F77-R146 PolarHBondContact O-NH2 3.47Å; F77-L149 HydrophobicContact CE1-CD1 3.77Å; F77-L149 HydrophobicContact CZ-CD1 3.96Å; F77-I335 WeakPolarHBondContact CB-O 3.28Å; F77-I335 HydrophobicContact CD1-CB 4.33Å; F77-I335 HydrophobicContact CD2-CB 4.32Å; F77-I335 HydrophobicContact CD2-CG2 4.25Å; F77-I335 HydrophobicContact CE1-CB 4.34Å; F77-I335 HydrophobicContact CE1-CG2 4.4Å; F77-I335 HydrophobicContact CE2-CB 4.38Å; F77-I335 HydrophobicContact CE2-CG2 3.89Å; F77-I335 HydrophobicContact CG-CB 4.32Å; F77-I335 HydrophobicContact CZ-CB 4.38Å; F77-I335 HydrophobicContact CZ-CG2 3.97Å; F77-Y337 CarbonylContact C-O 3.59Å; F77-Y337 VanDerWaalsContact C-O 3.25Å; F77-Y337 VanDerWaalsContact CA-O 3.3Å; F77-Y337 WeakPolarHBondContact CA-O 3.27Å; F77-Y337 VanDerWaalsContact CA-OXT 3.29Å; F77-Y337 WeakPolarHBondContact CA-OXT 3.39Å; F77-Y337 VanDerWaalsContact CB-O 3.24Å; F77-Y337 WeakPolarHBondContact CB-O 3.5Å
78S96.1Very high96.1Very high0 Ų030.2 Ų30.20%014%0.143CC..  trans7737.5159.1-86.50000114.7W80 R333 G334 Y337S78-W80 PolarHBondContact O-N 2.87Å; S78-R333 PolarHBondContact O-NH1 2.97Å; S78-R333 PolarHBondContact OG-NH1 3.18Å; S78-G334 PolarHBondContact OG-O 3.18Å; S78-Y337 VanDerWaalsContact CA-O 3.25Å; S78-Y337 WeakPolarHBondContact CA-O 2.81Å; S78-Y337 PolarHBondContact N-O 3.09Å; S78-Y337 PolarHBondContact N-OXT 2.94Å; S78-Y337 PolarHBondContact OG-O 3.35Å
79F95.6Very high96Very high15 Ų1531.4 Ų31.47%0.06615%0.149CC..  trans-74.3-17.2-176-68.7-79.9000115.9N76 A81 G96 Y97 F100 L140N76-F79 WeakPolarHBondContact OD1-CE2 3.29Å; F79-A81 PolarHBondContact O-N 3.09Å; F79-G96 VanDerWaalsContact CD1-C 3.45Å; F79-Y97 VanDerWaalsContact CD1-N 3.33Å; F79-Y97 HydrophobicContact CE2-CD2 4.05Å; F79-Y97 AromaticContact CZ-CD2 3.87Å; F79-Y97 HydrophobicContact CZ-CD2 3.87Å; F79-F100 HydrophobicContact CD1-CB 4.45Å; F79-F100 HydrophobicContact CE1-CB 3.69Å; F79-F100 AromaticContact CE1-CD1 3.79Å; F79-F100 HydrophobicContact CE1-CD1 3.79Å; F79-F100 AromaticContact CE1-CG 3.9Å; F79-F100 HydrophobicContact CE1-CG 3.9Å; F79-F100 HydrophobicContact CZ-CD1 4.03Å; F79-L140 HydrophobicContact CD1-CD1 3.78Å; F79-L140 HydrophobicContact CD1-CD2 3.78Å; F79-L140 HydrophobicContact CD1-CG 4.47Å; F79-L140 HydrophobicContact CE1-CD1 3.55Å; F79-L140 HydrophobicContact CE1-CD2 4.41Å
80W92.7Very high95.7Very high55 Ų5538.7 Ų38.721%0.20819%0.188CC..  trans-74.6125.8176.866.6-94.3000110S78 L265 F329 R331 C332 R333S78-W80 PolarHBondContact O-N 2.87Å; W80-L265 HydrophobicContact CH2-CD1 3.96Å; W80-L265 HydrophobicContact CZ2-CD1 3.89Å; W80-F329 HydrophobicContact CB-CE2 4.41Å; W80-F329 HydrophobicContact CB-CZ 4.39Å; W80-F329 HydrophobicContact CG-CE2 4.23Å; W80-R331 HydrophobicContact CH2-CB 4.28Å; W80-R331 HydrophobicContact CH2-CG 4.41Å; W80-R331 HydrophobicContact CZ2-CB 4.02Å; W80-R331 HydrophobicContact CZ2-CG 4.38Å; W80-C332 PolarHBondContact NE1-O 2.86Å; W80-C332 VanDerWaalsContact NE1-O 3.1Å; W80-R333 VanDerWaalsContact CE3-NH2 3.32Å; W80-R333 VanDerWaalsContact CH2-NH2 3.35Å; W80-R333 HydrophobicContact CZ2-CB 4.35Å; W80-R333 VanDerWaalsContact CZ3-NH2 3.3Å; W80-R333 PolarHBondContact O-NH1 3.26Å; W80-R333 PolarHBondContact O-NH2 3.43Å
81A92.1Very high95.3Very high20 Ų2042.6 Ų42.617%0.16523%0.23CC..  trans-151163.6-174.900000111.7F79 P83 P141F79-A81 PolarHBondContact O-N 3.09Å; A81-P83 CarbonylContact C-O 3.54Å; A81-P83 VanDerWaalsContact CB-O 3.23Å; A81-P83 WeakPolarHBondContact CB-O 3.25Å; A81-P141 HydrophobicContact CB-CG 3.75Å
82K90.5Very high95.2Very high189 Ų18948.8 Ų48.882%0.82226%0.258SS*.SBendtrans-135.4113.4168.8-69.7-173.4178.7-175.50109
83P93.2Very high95.1Very high90 Ų9052.3 Ų52.358%0.58428%0.28SS*.SBendcis-62.6166.7-5.130.6-36.2000112.1A81A81-P83 CarbonylContact C-O 3.54Å; A81-P83 VanDerWaalsContact CB-O 3.23Å; A81-P83 WeakPolarHBondContact CB-O 3.25Å
84R94.2Very high95Very high98 Ų9853.2 Ų53.237%0.3729%0.285SS..PPolyproline II helixtrans-75.6139.5176.3-63.2177.469.6-172.84.4109.1T86 H95R84-T86 PolarHBondContact O-N 2.97Å; R84-T86 PolarHBondContact O-OG1 3.04Å; R84-H95 VanDerWaalsContact CZ-CB 3.46Å; R84-H95 VanDerWaalsContact CZ-CD2 3.44Å; R84-H95 PolarHBondContact NH1-CD2 3.29Å; R84-H95 VanDerWaalsContact NH1-CD2 3.26Å; R84-H95 PolarHBondContact NH1-NE2 2.92Å
85F97.5Very high94.8Very high3 Ų355.7 Ų55.71%0.01330%0.296CS..PPolyproline II helixtrans-61.1120.2166.6-166.3-90.9000109.2V87 H95 G96 A99 F100 V103 L132 D134 N138 L140F85-V87 HydrophobicContact CE1-CG2 4.29Å; F85-H95 VanDerWaalsContact O-CA 3.23Å; F85-H95 WeakPolarHBondContact O-CA 2.85Å; F85-G96 PolarHBondContact O-N 2.88Å; F85-A99 HydrophobicContact CD1-CB 3.86Å; F85-A99 HydrophobicContact CE1-CB 4.27Å; F85-F100 HydrophobicContact CD1-CB 4.5Å; F85-F100 HydrophobicContact CE1-CB 4.16Å; F85-F100 HydrophobicContact CE1-CD2 4.07Å; F85-F100 AromaticContact CZ-CD2 3.98Å; F85-F100 HydrophobicContact CZ-CD2 3.98Å; F85-V103 HydrophobicContact CE1-CG2 3.9Å; F85-V103 HydrophobicContact CZ-CG2 3.96Å; F85-L132 WeakPolarHBondContact CZ-O 3.26Å; F85-D134 WeakPolarHBondContact CA-OD2 3.36Å; F85-D134 HydrophobicContact CD1-CB 4.03Å; F85-D134 HydrophobicContact CD2-CB 3.79Å; F85-D134 HydrophobicContact CE1-CB 3.86Å; F85-D134 HydrophobicContact CE2-CB 3.66Å; F85-D134 HydrophobicContact CG-CB 4.01Å; F85-D134 HydrophobicContact CZ-CB 3.69Å; F85-N138 WeakPolarHBondContact CE2-O 3.37Å; F85-L140 HydrophobicContact CB-CD2 3.5Å; F85-L140 HydrophobicContact CB-CG 4.14Å; F85-L140 HydrophobicContact CD1-CD2 4.39Å; F85-L140 HydrophobicContact CD1-CG 4.37Å; F85-L140 HydrophobicContact CD2-CB 4.47Å; F85-L140 HydrophobicContact CD2-CD1 4.41Å; F85-L140 HydrophobicContact CD2-CD2 3.92Å; F85-L140 HydrophobicContact CD2-CG 3.55Å; F85-L140 HydrophobicContact CE2-CD1 4.47Å; F85-L140 HydrophobicContact CE2-CG 3.93Å; F85-L140 HydrophobicContact CG-CD1 4.43Å; F85-L140 HydrophobicContact CG-CD2 3.69Å; F85-L140 HydrophobicContact CG-CG 3.77Å
86T98Very high94.6Very high17 Ų1756.1 Ų56.110%0.10430%0.301CS..EExtended strand (participates in β ladder)trans-139.9127.5-163.9-56.80000112.6R84 T93 L94 H95 D134 D135 Y136R84-T86 PolarHBondContact O-N 2.97Å; R84-T86 PolarHBondContact O-OG1 3.04Å; T86-T93 HydrophobicContact CG2-CG2 3.49Å; T86-T93 VanDerWaalsContact CG2-CG2 3.49Å; T86-L94 WeakPolarHBondContact CA-O 3.33Å; T86-H95 PolarHBondContact OG1-CE1 3.41Å; T86-H95 PolarHBondContact OG1-ND1 3.02Å; T86-D134 PolarHBondContact N-OD2 2.78Å; T86-D134 VanDerWaalsContact O-CB 3.27Å; T86-D134 WeakPolarHBondContact O-CB 3.3Å; T86-D135 PolarHBondContact O-N 3.1Å; T86-Y136 HydrophobicContact CG2-CE2 3.91Å
87V98.1Very high94.5Very high0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-130140179.6173.10000109.5F85 L94 A99 C102 V103 D134F85-V87 HydrophobicContact CE1-CG2 4.29Å; V87-L94 PolarHBondContact N-O 2.87Å; V87-L94 VanDerWaalsContact N-O 3.13Å; V87-L94 PolarHBondContact O-N 2.75Å; V87-A99 HydrophobicContact CB-CB 3.92Å; V87-A99 HydrophobicContact CG2-CB 3.92Å; V87-C102 HydrophobicContact CG1-CB 4.13Å; V87-V103 HydrophobicContact CG2-CG2 3.62Å; V87-D134 HydrophobicContact CG2-CB 4.18Å
88K96.8Very high94.4Very high118 Ų11859.5 Ų59.551%0.51332%0.317SS..EExtended strand (participates in β ladder)trans-94.5122.6171.4-67.6179.8178.9179.20109.4E92 R106 D135 Y136K88-E92 CarbonylContact C-O 3.53Å; K88-E92 VanDerWaalsContact CA-O 3.26Å; K88-E92 WeakPolarHBondContact CA-O 3.43Å; K88-R106 PolarHBondContact O-NH2 3.36Å; K88-D135 PolarHBondContact N-OD2 3.48Å; K88-Y136 WeakPolarHBondContact CE-OH 3.4Å
89D94.6Very high94.4Very high27 Ų2759.5 Ų59.514%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-135.5125-179.7-164.650000109.5G91 E92 L94 C102 R106D89-G91 PolarHBondContact O-N 3.39Å; D89-E92 PolarHBondContact N-O 2.96Å; D89-E92 WeakPolarHBondContact O-CA 3.38Å; D89-E92 WeakPolarHBondContact O-CB 3.49Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-L94 HydrophobicContact CB-CD1 3.71Å; D89-L94 HydrophobicContact CB-CG 4.37Å; D89-C102 VanDerWaalsContact CG-SG 3.58Å; D89-R106 IonicContact OD1-NH2 3.98Å
90N90.8Very high94.5Very high154 Ų15459 Ų5982%0.82431%0.314SS*.THydrogen-bonded Turntrans46.737.5179.8-63.7-34.5000115.6E92N90-E92 VanDerWaalsContact C-N 3.27Å; N90-E92 PolarHBondContact O-N 3.13Å
91G91.2Very high94.6Very high86 Ų8656.3 Ų56.389%0.88730%0.304SS*.THydrogen-bonded Turntrans85.6-10.5-178.600000114.6D89D89-G91 PolarHBondContact O-N 3.39Å
92E93.6Very high94.8Very high132 Ų13255.4 Ų55.462%0.61730%0.297SS*.EExtended strand (participates in β ladder)trans-88.9155.2173.8-58.2-163.1156.700112K88 D89 N90K88-E92 CarbonylContact C-O 3.53Å; K88-E92 VanDerWaalsContact CA-O 3.26Å; K88-E92 WeakPolarHBondContact CA-O 3.43Å; D89-E92 PolarHBondContact N-O 2.96Å; D89-E92 WeakPolarHBondContact O-CA 3.38Å; D89-E92 WeakPolarHBondContact O-CB 3.49Å; D89-E92 PolarHBondContact O-N 2.94Å; N90-E92 VanDerWaalsContact C-N 3.27Å; N90-E92 PolarHBondContact O-N 3.13Å
93T95.4Very high95.2Very high78 Ų7846.8 Ų46.848%0.47926%0.26SS..EExtended strand (participates in β ladder)trans-109.6109.3172.6-61.40000109.6T86T86-T93 HydrophobicContact CG2-CG2 3.49Å; T86-T93 VanDerWaalsContact CG2-CG2 3.49Å
94L95.1Very high95.4Very high19 Ų1942.5 Ų42.510%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-90.9156.7178.7-57.5174.5000110.9V56 T86 V87 D89 L98 A99 C102V56-L94 HydrophobicContact CG1-CD1 3.47Å; V56-L94 VanDerWaalsContact CG1-CD1 3.47Å; T86-L94 WeakPolarHBondContact CA-O 3.33Å; V87-L94 PolarHBondContact N-O 2.87Å; V87-L94 VanDerWaalsContact N-O 3.13Å; V87-L94 PolarHBondContact O-N 2.75Å; D89-L94 HydrophobicContact CB-CD1 3.71Å; D89-L94 HydrophobicContact CB-CG 4.37Å; L94-L98 HydrophobicContact CD2-CB 4.43Å; L94-A99 HydrophobicContact CB-CB 3.94Å; L94-C102 HydrophobicContact CD1-CB 3.91Å
95H94.5Very high95.5Very high51 Ų5139.9 Ų39.924%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-143.6156.2176.1-59.5-76.5000113.5R84 F85 T86 Y97R84-H95 VanDerWaalsContact CZ-CB 3.46Å; R84-H95 VanDerWaalsContact CZ-CD2 3.44Å; R84-H95 PolarHBondContact NH1-CD2 3.29Å; R84-H95 VanDerWaalsContact NH1-CD2 3.26Å; R84-H95 PolarHBondContact NH1-NE2 2.92Å; F85-H95 VanDerWaalsContact O-CA 3.23Å; F85-H95 WeakPolarHBondContact O-CA 2.85Å; T86-H95 PolarHBondContact OG1-CE1 3.41Å; T86-H95 PolarHBondContact OG1-ND1 3.02Å; H95-Y97 PolarHBondContact O-N 3.25Å
96G93.8Very high95.4Very high11 Ų1143.5 Ų43.511%0.11324%0.237CC..THydrogen-bonded Turntrans61.2-129.9172.400000111.5F79 F85 L98 A99 F100F79-G96 VanDerWaalsContact CD1-C 3.45Å; F85-G96 PolarHBondContact O-N 2.88Å; G96-L98 PolarHBondContact O-N 3.17Å; G96-A99 PolarHBondContact O-N 3.11Å; G96-F100 WeakPolarHBondContact O-CB 3.45Å; G96-F100 PolarHBondContact O-N 3.32Å
97Y94Very high95.4Very high35 Ų3543 Ų4314%0.13723%0.234CC..Hα-helixtrans-55.6-50.1-177.9172.5-99.8000113H57 V72 N76 F79 H95 A99 F100 C101 W313H57-Y97 PolarHBondContact NE2-OH 2.95Å; V72-Y97 HydrophobicContact CG1-CE2 3.93Å; N76-Y97 WeakPolarHBondContact OD1-CD2 3.33Å; F79-Y97 VanDerWaalsContact CD1-N 3.33Å; F79-Y97 HydrophobicContact CE2-CD2 4.05Å; F79-Y97 AromaticContact CZ-CD2 3.87Å; F79-Y97 HydrophobicContact CZ-CD2 3.87Å; H95-Y97 PolarHBondContact O-N 3.25Å; Y97-A99 VanDerWaalsContact C-N 3.35Å; Y97-A99 PolarHBondContact O-N 2.97Å; Y97-F100 WeakPolarHBondContact O-CA 3.45Å; Y97-F100 WeakPolarHBondContact O-CB 3.48Å; Y97-F100 PolarHBondContact O-N 3.35Å; Y97-C101 PolarHBondContact O-N 3.23Å; Y97-W313 AromaticContact CD1-CH2 3.75Å; Y97-W313 HydrophobicContact CD1-CH2 3.75Å; Y97-W313 AromaticContact CD1-CZ2 3.88Å; Y97-W313 HydrophobicContact CD1-CZ2 3.88Å; Y97-W313 HydrophobicContact CE1-CH2 4.3Å; Y97-W313 HydrophobicContact CG-CZ2 4.46Å
98L94.1Very high95.3Very high52 Ų5245 Ų4527%0.27224%0.244SC..Hα-helixtrans-63.5-39.8-178.8-64.2176.4000112.5V56 L94 G96 F100 C101 C102 W313V56-L98 HydrophobicContact CG2-CB 4.35Å; V56-L98 HydrophobicContact CG2-CD2 3.69Å; L94-L98 HydrophobicContact CD2-CB 4.43Å; G96-L98 PolarHBondContact O-N 3.17Å; L98-F100 VanDerWaalsContact C-N 3.28Å; L98-F100 PolarHBondContact O-N 2.81Å; L98-C101 PolarHBondContact O-N 3.49Å; L98-C102 PolarHBondContact O-N 2.85Å; L98-W313 HydrophobicContact CD1-CH2 4.38Å; L98-W313 HydrophobicContact CD2-CH2 3.93Å; L98-W313 HydrophobicContact CD2-CZ3 4.49Å; L98-W313 HydrophobicContact CG-CH2 3.99Å
99A96.4Very high95.2Very high0 Ų045.6 Ų45.60%025%0.249CC..Hα-helixtrans-62.3-39.5173.400000111.4F85 V87 L94 G96 Y97 C102 V103F85-A99 HydrophobicContact CD1-CB 3.86Å; F85-A99 HydrophobicContact CE1-CB 4.27Å; V87-A99 HydrophobicContact CB-CB 3.92Å; V87-A99 HydrophobicContact CG2-CB 3.92Å; L94-A99 HydrophobicContact CB-CB 3.94Å; G96-A99 PolarHBondContact O-N 3.11Å; Y97-A99 VanDerWaalsContact C-N 3.35Å; Y97-A99 PolarHBondContact O-N 2.97Å; A99-C102 WeakPolarHBondContact O-CB 3.5Å; A99-C102 PolarHBondContact O-N 2.92Å; A99-V103 WeakPolarHBondContact O-CG2 3.26Å; A99-V103 PolarHBondContact O-N 3.01Å
100F97Very high95.3Very high3 Ų347.4 Ų47.41%0.01327%0.268CS..Hα-helixtrans-68.5-40.9178.7-170.1-117.7000112.6I75 F79 F85 G96 Y97 L98 C102 V103 L104 L132 L140 M143I75-F100 HydrophobicContact CD1-CE1 3.5Å; I75-F100 HydrophobicContact CD1-CZ 3.6Å; I75-F100 HydrophobicContact CG1-CE1 3.8Å; I75-F100 HydrophobicContact CG1-CZ 4.3Å; F79-F100 HydrophobicContact CD1-CB 4.45Å; F79-F100 HydrophobicContact CE1-CB 3.69Å; F79-F100 AromaticContact CE1-CD1 3.79Å; F79-F100 HydrophobicContact CE1-CD1 3.79Å; F79-F100 AromaticContact CE1-CG 3.9Å; F79-F100 HydrophobicContact CE1-CG 3.9Å; F79-F100 HydrophobicContact CZ-CD1 4.03Å; F85-F100 HydrophobicContact CD1-CB 4.5Å; F85-F100 HydrophobicContact CE1-CB 4.16Å; F85-F100 HydrophobicContact CE1-CD2 4.07Å; F85-F100 AromaticContact CZ-CD2 3.98Å; F85-F100 HydrophobicContact CZ-CD2 3.98Å; G96-F100 WeakPolarHBondContact O-CB 3.45Å; G96-F100 PolarHBondContact O-N 3.32Å; Y97-F100 WeakPolarHBondContact O-CA 3.45Å; Y97-F100 WeakPolarHBondContact O-CB 3.48Å; Y97-F100 PolarHBondContact O-N 3.35Å; L98-F100 VanDerWaalsContact C-N 3.28Å; L98-F100 PolarHBondContact O-N 2.81Å; F100-C102 VanDerWaalsContact C-N 3.27Å; F100-C102 PolarHBondContact O-N 3Å; F100-V103 PolarHBondContact O-N 3.19Å; F100-V103 VanDerWaalsContact O-N 3.15Å; F100-L104 HydrophobicContact CD1-CD1 3.93Å; F100-L104 HydrophobicContact CD1-CG 4.5Å; F100-L104 HydrophobicContact CE1-CD1 3.7Å; F100-L104 HydrophobicContact CE1-CG 4.25Å; F100-L104 HydrophobicContact CZ-CD1 4.24Å; F100-L104 HydrophobicContact CZ-CD2 4.29Å; F100-L104 HydrophobicContact CZ-CG 4.34Å; F100-L104 WeakPolarHBondContact O-CG 3.49Å; F100-L104 PolarHBondContact O-N 3.25Å; F100-L132 HydrophobicContact CE2-CB 4.28Å; F100-L132 HydrophobicContact CE2-CD1 4.24Å; F100-L132 HydrophobicContact CZ-CD1 4.13Å; F100-L140 HydrophobicContact CB-CD1 3.97Å; F100-L140 HydrophobicContact CD1-CD1 4.15Å; F100-L140 HydrophobicContact CD2-CD1 3.35Å; F100-L140 HydrophobicContact CE2-CD1 3.8Å; F100-L140 HydrophobicContact CG-CD1 3.55Å; F100-L140 HydrophobicContact CZ-CD1 4.36Å; F100-M143 HydrophobicContact CE2-CE 4.48Å
101C96.2Very high95.6Very high0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-57.9-41170.6-68.60000111.6V56 Y97 L98 V103 L104 K105V56-C101 HydrophobicContact CB-CB 4.03Å; V56-C101 HydrophobicContact CG2-CB 3.68Å; Y97-C101 PolarHBondContact O-N 3.23Å; L98-C101 PolarHBondContact O-N 3.49Å; C101-V103 PolarHBondContact O-N 2.67Å; C101-L104 PolarHBondContact O-N 3.39Å; C101-K105 WeakPolarHBondContact O-CB 3.4Å; C101-K105 PolarHBondContact O-N 2.78Å
102C96.7Very high95.9Very high1 Ų146.6 Ų46.61%0.00724%0.237CC..Hα-helixtrans-60.4-43.5174.4-176.90000112.2V56 V87 D89 L94 L98 A99 F100 L104 K105 R106V56-C102 HydrophobicContact CB-CB 4.45Å; V56-C102 HydrophobicContact CG1-CB 4.23Å; V87-C102 HydrophobicContact CG1-CB 4.13Å; D89-C102 VanDerWaalsContact CG-SG 3.58Å; L94-C102 HydrophobicContact CD1-CB 3.91Å; L98-C102 PolarHBondContact O-N 2.85Å; A99-C102 WeakPolarHBondContact O-CB 3.5Å; A99-C102 PolarHBondContact O-N 2.92Å; F100-C102 VanDerWaalsContact C-N 3.27Å; F100-C102 PolarHBondContact O-N 3Å; C102-L104 PolarHBondContact O-N 3.28Å; C102-K105 PolarHBondContact O-N 3.48Å; C102-R106 WeakPolarHBondContact O-CG 3.31Å; C102-R106 PolarHBondContact O-N 2.89Å
103V97.8Very high96Very high8 Ų842.8 Ų42.85%0.04822%0.223CC..Hα-helixtrans-61-44174.8178.20000111.9F85 V87 A99 F100 C101 K105 R106 C107 V131 L132F85-V103 HydrophobicContact CE1-CG2 3.9Å; F85-V103 HydrophobicContact CZ-CG2 3.96Å; V87-V103 HydrophobicContact CG2-CG2 3.62Å; A99-V103 WeakPolarHBondContact O-CG2 3.26Å; A99-V103 PolarHBondContact O-N 3.01Å; F100-V103 PolarHBondContact O-N 3.19Å; F100-V103 VanDerWaalsContact O-N 3.15Å; C101-V103 PolarHBondContact O-N 2.67Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 3.37Å; V103-R106 WeakPolarHBondContact O-CB 3.4Å; V103-R106 PolarHBondContact O-N 2.76Å; V103-C107 PolarHBondContact O-N 3.05Å; V103-C107 PolarHBondContact O-SG 3.18Å; V103-V131 VanDerWaalsContact CG1-O 3.23Å; V103-V131 WeakPolarHBondContact CG1-O 3.47Å; V103-L132 HydrophobicContact CG1-CD2 4.2Å
104L97.4Very high96.1Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-64.8-39.4178.5-67.5172.4000111.7W68 M71 V72 F100 C101 C102 C107 L108 I114 L132W68-L104 HydrophobicContact CH2-CB 3.27Å; W68-L104 HydrophobicContact CH2-CD1 4.4Å; W68-L104 HydrophobicContact CH2-CG 4.47Å; W68-L104 HydrophobicContact CZ2-CB 4.26Å; W68-L104 HydrophobicContact CZ3-CB 3.52Å; M71-L104 HydrophobicContact CE-CB 4.45Å; M71-L104 HydrophobicContact CE-CD1 3.9Å; M71-L104 HydrophobicContact CE-CD2 3.73Å; M71-L104 HydrophobicContact CE-CG 4.24Å; M71-L104 HydrophobicContact SD-CD1 4.17Å; M71-L104 HydrophobicContact SD-CD2 4.11Å; V72-L104 HydrophobicContact CG2-CD1 3.91Å; F100-L104 HydrophobicContact CD1-CD1 3.93Å; F100-L104 HydrophobicContact CD1-CG 4.5Å; F100-L104 HydrophobicContact CE1-CD1 3.7Å; F100-L104 HydrophobicContact CE1-CG 4.25Å; F100-L104 HydrophobicContact CZ-CD1 4.24Å; F100-L104 HydrophobicContact CZ-CD2 4.29Å; F100-L104 HydrophobicContact CZ-CG 4.34Å; F100-L104 WeakPolarHBondContact O-CG 3.49Å; F100-L104 PolarHBondContact O-N 3.25Å; C101-L104 PolarHBondContact O-N 3.39Å; C102-L104 PolarHBondContact O-N 3.28Å; L104-C107 WeakPolarHBondContact O-CB 3.11Å; L104-C107 PolarHBondContact O-N 2.55Å; L104-L108 PolarHBondContact O-N 3.31Å; L104-I114 HydrophobicContact CD2-CG1 4.14Å; L104-L132 HydrophobicContact CD2-CD2 3.5Å; L104-L132 VanDerWaalsContact CD2-CD2 3.5Å
105K95.8Very high96.1Very high42 Ų4239 Ų3918%0.18320%0.201CC..Hα-helixtrans-61.6-44.9174.8177.3-177.3172.6-171.30110.9D55 P58 W68 C101 C102 V103 C107 L108 E109D55-K105 PolarHBondContact O-NZ 3.2Å; P58-K105 HydrophobicContact CB-CG 4.35Å; W68-K105 HydrophobicContact CH2-CB 4.37Å; C101-K105 WeakPolarHBondContact O-CB 3.4Å; C101-K105 PolarHBondContact O-N 2.78Å; C102-K105 PolarHBondContact O-N 3.48Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 3.37Å; K105-C107 VanDerWaalsContact C-N 3.27Å; K105-C107 PolarHBondContact O-N 2.56Å; K105-L108 WeakPolarHBondContact O-CB 3.5Å; K105-L108 PolarHBondContact O-N 2.82Å; K105-L108 VanDerWaalsContact O-N 3.09Å; K105-E109 WeakPolarHBondContact CE-OE1 3.27Å; K105-E109 WeakPolarHBondContact O-CG 3.32Å; K105-E109 PolarHBondContact O-N 2.86Å
106R96.1Very high96.3Very high80 Ų8039.5 Ų39.530%0.30221%0.208SC..Hα-helixtrans-60.3-34.7174.4-71.4173-176.7-178.90.5113.1K88 D89 C102 V103 L108 E109 A110 D135K88-R106 PolarHBondContact O-NH2 3.36Å; D89-R106 IonicContact OD1-NH2 3.98Å; C102-R106 WeakPolarHBondContact O-CG 3.31Å; C102-R106 PolarHBondContact O-N 2.89Å; V103-R106 WeakPolarHBondContact O-CB 3.4Å; V103-R106 PolarHBondContact O-N 2.76Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-E109 PolarHBondContact O-N 3.06Å; R106-A110 VanDerWaalsContact O-CB 3.32Å; R106-A110 WeakPolarHBondContact O-CB 3.4Å; R106-A110 PolarHBondContact O-N 3.37Å; R106-D135 IonicContact CZ-OD1 2.92Å; R106-D135 IonicContact NH1-OD1 3.92Å; R106-D135 PolarHBondContact NH1-OD1 2.73Å; R106-D135 IonicContact NH1-OD2 3.93Å
107C97.5Very high96.5Very high5 Ų539.1 Ų39.13%0.03420%0.204CC..Hα-helixtrans-62.3-44.3174.5-66.80000111V103 L104 K105 A110 E111 I112 I114V103-C107 PolarHBondContact O-N 3.05Å; V103-C107 PolarHBondContact O-SG 3.18Å; L104-C107 WeakPolarHBondContact O-CB 3.11Å; L104-C107 PolarHBondContact O-N 2.55Å; K105-C107 VanDerWaalsContact C-N 3.27Å; K105-C107 PolarHBondContact O-N 2.56Å; C107-A110 CarbonylContact O-C 3.16Å; C107-A110 PolarHBondContact O-N 2.87Å; C107-E111 PolarHBondContact O-N 3.07Å; C107-I112 HydrophobicContact CB-CB 4.17Å; C107-I112 HydrophobicContact CB-CD1 4.39Å; C107-I112 VanDerWaalsContact O-CB 3.31Å; C107-I112 WeakPolarHBondContact O-CB 3.48Å; C107-I112 PolarHBondContact O-N 2.67Å; C107-I114 HydrophobicContact CB-CB 4Å; C107-I114 HydrophobicContact CB-CG1 4.37Å; C107-I114 HydrophobicContact CB-CG2 3.72Å
108L96.4Very high96.7Very high43 Ų4340.1 Ų40.123%0.22522%0.219CC..Hα-helixtrans-65.1-42.4176.2-65.7179.3000112.5P58 L60 W68 L104 K105 R106 A110 E111 I114 T115P58-L108 HydrophobicContact CB-CD1 4.06Å; P58-L108 HydrophobicContact CG-CD1 3.91Å; L60-L108 HydrophobicContact CD1-CD1 3.96Å; W68-L108 HydrophobicContact CE3-CD1 3.54Å; W68-L108 HydrophobicContact CE3-CG 4.43Å; W68-L108 HydrophobicContact CZ3-CD1 3.56Å; W68-L108 HydrophobicContact CZ3-CG 4.19Å; L104-L108 PolarHBondContact O-N 3.31Å; K105-L108 WeakPolarHBondContact O-CB 3.5Å; K105-L108 PolarHBondContact O-N 2.82Å; K105-L108 VanDerWaalsContact O-N 3.09Å; R106-L108 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.38Å; L108-E111 PolarHBondContact O-N 2.88Å; L108-I114 HydrophobicContact CD2-CG2 3.89Å; L108-I114 HydrophobicContact CG-CG2 4.16Å; L108-T115 HydrophobicContact CD2-CG2 4.07Å
109E95.6Very high96.9Very high130 Ų13040.8 Ų40.861%0.60722%0.218SC*.Hα-helixtrans-62.6-28.7176.2-69.3168.3171.900112.5K105 R106 E111K105-E109 WeakPolarHBondContact CE-OE1 3.27Å; K105-E109 WeakPolarHBondContact O-CG 3.32Å; K105-E109 PolarHBondContact O-N 2.86Å; R106-E109 PolarHBondContact O-N 3.06Å; E109-E111 VanDerWaalsContact C-N 3.27Å
110A96.9Very high97Very high65 Ų6540.9 Ų40.954%0.53722%0.219SC..THydrogen-bonded Turntrans-88.113.5173.900000113.5R106 C107 L108 I112R106-A110 VanDerWaalsContact O-CB 3.32Å; R106-A110 WeakPolarHBondContact O-CB 3.4Å; R106-A110 PolarHBondContact O-N 3.37Å; C107-A110 CarbonylContact O-C 3.16Å; C107-A110 PolarHBondContact O-N 2.87Å; L108-A110 PolarHBondContact O-N 3.38Å; A110-I112 HydrophobicContact CB-CD1 4.25Å; A110-I112 HydrophobicContact CB-CG1 4.31Å; A110-I112 PolarHBondContact O-N 3.29Å; A110-I112 VanDerWaalsContact O-N 3.1Å
111E96.6Very high96.9Very high180 Ų18042.8 Ų42.884%0.84123%0.227SC*.THydrogen-bonded Turntrans57.722.3-179.2-54.7-175.1148.200114.1C107 L108 E109 P113C107-E111 PolarHBondContact O-N 3.07Å; L108-E111 PolarHBondContact O-N 2.88Å; E109-E111 VanDerWaalsContact C-N 3.27Å; E111-P113 WeakPolarHBondContact O-CD 3.23Å
112I97.3Very high96.9Very high43 Ų4348.5 Ų48.522%0.22126%0.258CS..  trans-76.7124.4171.7-59.8167.3000107.2C107 A110 I114 Y119 V131C107-I112 HydrophobicContact CB-CB 4.17Å; C107-I112 HydrophobicContact CB-CD1 4.39Å; C107-I112 VanDerWaalsContact O-CB 3.31Å; C107-I112 WeakPolarHBondContact O-CB 3.48Å; C107-I112 PolarHBondContact O-N 2.67Å; A110-I112 HydrophobicContact CB-CD1 4.25Å; A110-I112 HydrophobicContact CB-CG1 4.31Å; A110-I112 PolarHBondContact O-N 3.29Å; A110-I112 VanDerWaalsContact O-N 3.1Å; I112-I114 HydrophobicContact CG2-CB 4.35Å; I112-I114 PolarHBondContact O-N 2.78Å; I112-Y119 HydrophobicContact CG2-CE1 4.35Å; I112-V131 HydrophobicContact CD1-CB 4.3Å; I112-V131 HydrophobicContact CD1-CG1 3.83Å
113P96.2Very high97Very high52 Ų5248.9 Ų48.934%0.33826%0.261SS..  trans-77.249.7-175.131.6-35.9000112.7E111 T115 T116 Y119E111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-T115 PolarHBondContact O-N 3.34Å; P113-T116 WeakPolarHBondContact O-CB 3.19Å; P113-T116 PolarHBondContact O-N 3.04Å; P113-Y119 HydrophobicContact CB-CD1 4.47Å; P113-Y119 HydrophobicContact CB-CG 4.24Å; P113-Y119 HydrophobicContact CG-CD1 3.95Å; P113-Y119 HydrophobicContact CG-CD2 3.6Å; P113-Y119 HydrophobicContact CG-CE1 4.37Å; P113-Y119 HydrophobicContact CG-CE2 4.04Å; P113-Y119 HydrophobicContact CG-CG 3.54Å; P113-Y119 WeakPolarHBondContact O-CD1 3.47Å
114I96.3Very high97Very high1 Ų150.7 Ų50.71%0.00527%0.273CS..THydrogen-bonded Turntrans-67.5-7.9-173.1-157.163.7000113.6M71 L104 C107 L108 I112 Y119 L120 V131 L132M71-I114 HydrophobicContact CE-CG2 4.31Å; L104-I114 HydrophobicContact CD2-CG1 4.14Å; C107-I114 HydrophobicContact CB-CB 4Å; C107-I114 HydrophobicContact CB-CG1 4.37Å; C107-I114 HydrophobicContact CB-CG2 3.72Å; L108-I114 HydrophobicContact CD2-CG2 3.89Å; L108-I114 HydrophobicContact CG-CG2 4.16Å; I112-I114 HydrophobicContact CG2-CB 4.35Å; I112-I114 PolarHBondContact O-N 2.78Å; I114-Y119 HydrophobicContact CD1-CE1 4.34Å; I114-L120 HydrophobicContact CD1-CD2 3.99Å; I114-L120 WeakPolarHBondContact O-CD1 3.47Å; I114-V131 HydrophobicContact CD1-CG2 4.13Å; I114-L132 HydrophobicContact CD1-CD2 4.38Å; I114-L132 HydrophobicContact CG1-CD2 4.39Å
115T96.6Very high97.1Very high18 Ų1854 Ų5411%0.1129%0.286CS..THydrogen-bonded Turntrans-109.60.2173.1520000112.9W68 M71 L108 P113 P117W68-T115 HydrophobicContact CB-CG2 4.17Å; W68-T115 HydrophobicContact CE3-CG2 3.8Å; M71-T115 HydrophobicContact CE-CG2 3.89Å; L108-T115 HydrophobicContact CD2-CG2 4.07Å; P113-T115 PolarHBondContact O-N 3.34Å; T115-P117 WeakPolarHBondContact O-CD 3.39Å
116T98Very high97.2Very high60 Ų6057.9 Ų57.937%0.36831%0.309SS..  trans-90117.7-177.6-60.60000110.7P113 A118 Y119 L120P113-T116 WeakPolarHBondContact O-CB 3.19Å; P113-T116 PolarHBondContact O-N 3.04Å; T116-A118 HydrophobicContact CG2-CB 4.47Å; T116-A118 PolarHBondContact O-N 3.48Å; T116-Y119 WeakPolarHBondContact O-CB 3.34Å; T116-Y119 PolarHBondContact O-N 3.46Å; T116-Y119 VanDerWaalsContact O-N 3.1Å; T116-L120 PolarHBondContact O-N 3.04Å
117P98.2Very high97.3Very high4 Ų457.8 Ų57.83%0.02632%0.315CS..Hα-helixtrans-57.3-43-176.8-31.740.5000114.6T115 Y119 L120 E121 C154 L157 V158 G163T115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-Y119 PolarHBondContact O-N 3.38Å; P117-L120 PolarHBondContact O-N 2.88Å; P117-E121 WeakPolarHBondContact O-CB 3.37Å; P117-E121 PolarHBondContact O-N 3.47Å; P117-C154 HydrophobicContact CB-CB 3.89Å; P117-C154 WeakPolarHBondContact O-CB 3.37Å; P117-L157 HydrophobicContact CB-CB 4.1Å; P117-L157 HydrophobicContact CB-CD1 4.28Å; P117-L157 HydrophobicContact CG-CB 4.21Å; P117-L157 HydrophobicContact CG-CD1 3.68Å; P117-V158 HydrophobicContact CB-CG2 3.98Å; P117-G163 WeakPolarHBondContact CD-O 3.42Å; P117-G163 VanDerWaalsContact CG-O 3.31Å; P117-G163 WeakPolarHBondContact CG-O 3.48Å
118A97.7Very high97.3Very high55 Ų5557.6 Ų57.646%0.45531%0.313SS..Hα-helixtrans-62.5-30.717900000113.3T116 N122 V158T116-A118 HydrophobicContact CG2-CB 4.47Å; T116-A118 PolarHBondContact O-N 3.48Å; A118-N122 PolarHBondContact O-ND2 3.08Å; A118-V158 HydrophobicContact CB-CG2 4.45Å
119Y98.2Very high97.4Very high67 Ų6756.4 Ų56.426%0.26331%0.308SS..Hα-helixtrans-74.3-50.8172.7169-101.1000111.1I112 P113 I114 T116 P117 E121 N122 V123I112-Y119 HydrophobicContact CG2-CE1 4.35Å; P113-Y119 HydrophobicContact CB-CD1 4.47Å; P113-Y119 HydrophobicContact CB-CG 4.24Å; P113-Y119 HydrophobicContact CG-CD1 3.95Å; P113-Y119 HydrophobicContact CG-CD2 3.6Å; P113-Y119 HydrophobicContact CG-CE1 4.37Å; P113-Y119 HydrophobicContact CG-CE2 4.04Å; P113-Y119 HydrophobicContact CG-CG 3.54Å; P113-Y119 WeakPolarHBondContact O-CD1 3.47Å; I114-Y119 HydrophobicContact CD1-CE1 4.34Å; T116-Y119 WeakPolarHBondContact O-CB 3.34Å; T116-Y119 PolarHBondContact O-N 3.46Å; T116-Y119 VanDerWaalsContact O-N 3.1Å; P117-Y119 PolarHBondContact O-N 3.38Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.91Å; Y119-N122 CarbonylContact O-C 3.5Å; Y119-N122 PolarHBondContact O-N 2.61Å; Y119-V123 HydrophobicContact CE1-CB 4.24Å; Y119-V123 HydrophobicContact CE1-CG2 4.14Å; Y119-V123 HydrophobicContact CE2-CG2 4.38Å; Y119-V123 PolarHBondContact O-N 3.04Å
120L97.7Very high97.5Very high2 Ų256.6 Ų56.61%0.0131%0.307CS..Hα-helixtrans-64.3-31.9-176.3-73.2176.3000113.4M71 I114 T116 P117 N122 L150 K151 C154M71-L120 HydrophobicContact CG-CD1 4.03Å; I114-L120 HydrophobicContact CD1-CD2 3.99Å; I114-L120 WeakPolarHBondContact O-CD1 3.47Å; T116-L120 PolarHBondContact O-N 3.04Å; P117-L120 PolarHBondContact O-N 2.88Å; L120-N122 PolarHBondContact O-N 2.77Å; L120-L150 HydrophobicContact CD1-CD2 4.3Å; L120-L150 HydrophobicContact CD2-CD1 4.34Å; L120-K151 WeakPolarHBondContact O-CG 3.4Å; L120-C154 HydrophobicContact CB-CB 4.14Å; L120-C154 VanDerWaalsContact CB-SG 3.56Å; L120-C154 VanDerWaalsContact CD1-SG 3.57Å
121E96.3Very high97.6Very high42 Ų4255.2 Ų55.220%0.19629%0.292CS..Hα-helixtrans-62.1-31.6172.9-178.4179.3-17600111.7P117 Y119 K151 C154 K155P117-E121 WeakPolarHBondContact O-CB 3.37Å; P117-E121 PolarHBondContact O-N 3.47Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.91Å; E121-K151 VanDerWaalsContact O-CE 3.27Å; E121-K151 WeakPolarHBondContact O-CE 3.48Å; E121-K151 PolarHBondContact O-NZ 3.3Å; E121-C154 HydrophobicContact CB-CB 4.33Å; E121-K155 HydrophobicContact CG-CB 4.08Å; E121-K155 WeakPolarHBondContact OE1-CG 3.41Å
122N96.6Very high97.6Very high120 Ų12046.7 Ų46.764%0.64225%0.252SS*.Hα-helixtrans-105.7-16.2-171.2-69.5-65000114.3A118 Y119 L120 S124A118-N122 PolarHBondContact O-ND2 3.08Å; Y119-N122 CarbonylContact O-C 3.5Å; Y119-N122 PolarHBondContact O-N 2.61Å; L120-N122 PolarHBondContact O-N 2.77Å; N122-S124 PolarHBondContact O-N 3.29Å
123V97.9Very high97.6Very high10 Ų1051 Ų516%0.06127%0.265CS..  trans-57.7138-178.473.80000112.2Y119 D127 F128 W147 K151Y119-V123 HydrophobicContact CE1-CB 4.24Å; Y119-V123 HydrophobicContact CE1-CG2 4.14Å; Y119-V123 HydrophobicContact CE2-CG2 4.38Å; Y119-V123 PolarHBondContact O-N 3.04Å; V123-D127 HydrophobicContact CG2-CB 3.91Å; V123-F128 HydrophobicContact CG1-CB 4.42Å; V123-F128 HydrophobicContact CG1-CD2 4.27Å; V123-F128 HydrophobicContact CG2-CB 4.49Å; V123-W147 PolarHBondContact O-NE1 3.3Å; V123-K151 PolarHBondContact O-NZ 3.45Å
124S98.2Very high97.7Very high45 Ų4548.9 Ų48.932%0.31525%0.251SS..  trans-71.2156.2174.680.80000110.6N122 D126 D127 F128N122-S124 PolarHBondContact O-N 3.29Å; S124-D126 VanDerWaalsContact C-N 3.27Å; S124-D126 PolarHBondContact O-N 3.4Å; S124-D127 WeakPolarHBondContact OG-CB 3.12Å; S124-D127 PolarHBondContact OG-N 2.87Å; S124-D127 PolarHBondContact OG-OD2 3.46Å; S124-F128 VanDerWaalsContact O-CB 3.29Å; S124-F128 WeakPolarHBondContact O-CB 3.11Å; S124-F128 PolarHBondContact O-N 3.37Å
125Y98.6Very high97.8Very high71 Ų7152.3 Ų52.328%0.27827%0.269SS..Hα-helixtrans-64.3-35.8176.5177.8-116.1000112F128 C129 M143 F144 W147Y125-F128 PolarHBondContact O-N 3.03Å; Y125-C129 WeakPolarHBondContact CE2-SG 3.36Å; Y125-C129 WeakPolarHBondContact O-CB 3.22Å; Y125-C129 PolarHBondContact O-N 2.81Å; Y125-C129 PolarHBondContact O-SG 3.36Å; Y125-M143 HydrophobicContact CE2-CG 4.43Å; Y125-F144 HydrophobicContact CD1-CD2 4.36Å; Y125-F144 AromaticContact CD2-CD2 3.84Å; Y125-F144 HydrophobicContact CD2-CD2 3.84Å; Y125-F144 HydrophobicContact CE1-CD2 4.3Å; Y125-F144 HydrophobicContact CE2-CB 3.95Å; Y125-F144 AromaticContact CE2-CD2 3.79Å; Y125-F144 HydrophobicContact CE2-CD2 3.79Å; Y125-F144 HydrophobicContact CE2-CG 4.38Å; Y125-F144 HydrophobicContact CG-CD2 4.13Å; Y125-W147 HydrophobicContact CD2-CB 3.85Å; Y125-W147 AromaticContact CD2-CD2 3.94Å; Y125-W147 HydrophobicContact CD2-CD2 3.94Å; Y125-W147 HydrophobicContact CD2-CE3 4.23Å; Y125-W147 AromaticContact CD2-CG 3.77Å; Y125-W147 HydrophobicContact CD2-CG 3.77Å; Y125-W147 HydrophobicContact CE2-CB 4.32Å; Y125-W147 HydrophobicContact CG-CD2 4.4Å
126D98.5Very high97.8Very high122 Ų12258 Ų5865%0.65229%0.29SS*.Hα-helixtrans-68.3-44.9-179.7-68.1-21000111.5S124 F128 C129 K130S124-D126 VanDerWaalsContact C-N 3.27Å; S124-D126 PolarHBondContact O-N 3.4Å; D126-F128 VanDerWaalsContact C-N 3.32Å; D126-F128 PolarHBondContact O-N 3.41Å; D126-C129 PolarHBondContact O-N 3.44Å; D126-K130 VanDerWaalsContact O-CB 3.31Å; D126-K130 WeakPolarHBondContact O-CB 3.42Å; D126-K130 PolarHBondContact O-N 3.38Å
127D98.1Very high97.7Very high79 Ų7957.2 Ų57.242%0.42229%0.293SS..Hα-helixtrans-64.1-40.2175.6-66.9-45.9000111.2V123 S124 C129 K130 V131V123-D127 HydrophobicContact CG2-CB 3.91Å; S124-D127 WeakPolarHBondContact OG-CB 3.12Å; S124-D127 PolarHBondContact OG-N 2.87Å; S124-D127 PolarHBondContact OG-OD2 3.46Å; D127-C129 PolarHBondContact O-N 2.88Å; D127-K130 WeakPolarHBondContact O-CB 3.48Å; D127-K130 PolarHBondContact O-N 2.59Å; D127-V131 PolarHBondContact O-N 3.04Å
128F98.3Very high97.7Very high1 Ų159.4 Ų59.40%0.00431%0.305CS..Hα-helixtrans-59.9-46.2175-174.4-100.8000111.9V123 S124 Y125 D126 K130 V131 L132 M143 R146 W147 L150V123-F128 HydrophobicContact CG1-CB 4.42Å; V123-F128 HydrophobicContact CG1-CD2 4.27Å; V123-F128 HydrophobicContact CG2-CB 4.49Å; S124-F128 VanDerWaalsContact O-CB 3.29Å; S124-F128 WeakPolarHBondContact O-CB 3.11Å; S124-F128 PolarHBondContact O-N 3.37Å; Y125-F128 PolarHBondContact O-N 3.03Å; D126-F128 VanDerWaalsContact C-N 3.32Å; D126-F128 PolarHBondContact O-N 3.41Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.29Å; F128-V131 WeakPolarHBondContact O-CG2 3.32Å; F128-L132 HydrophobicContact CD1-CD1 4.15Å; F128-L132 HydrophobicContact CD2-CD1 3.94Å; F128-L132 HydrophobicContact CE1-CD1 3.64Å; F128-L132 HydrophobicContact CE2-CD1 3.36Å; F128-L132 HydrophobicContact CE2-CG 4.41Å; F128-L132 HydrophobicContact CG-CD1 4.3Å; F128-L132 HydrophobicContact CZ-CD1 3.21Å; F128-L132 HydrophobicContact CZ-CG 4.49Å; F128-L132 WeakPolarHBondContact O-CB 3.45Å; F128-L132 WeakPolarHBondContact O-CG 3.39Å; F128-L132 PolarHBondContact O-N 3.42Å; F128-L132 VanDerWaalsContact O-N 3.14Å; F128-M143 HydrophobicContact CD1-CG 4.35Å; F128-M143 HydrophobicContact CD1-SD 4.14Å; F128-M143 HydrophobicContact CE1-CG 4.18Å; F128-M143 HydrophobicContact CE1-SD 3.51Å; F128-M143 VanDerWaalsContact CE1-SD 3.51Å; F128-M143 HydrophobicContact CZ-SD 4.41Å; F128-R146 HydrophobicContact CE1-CB 4.18Å; F128-R146 HydrophobicContact CZ-CB 4.21Å; F128-W147 HydrophobicContact CD1-CB 3.69Å; F128-W147 HydrophobicContact CD1-CG 4.25Å; F128-W147 HydrophobicContact CE1-CB 3.75Å; F128-W147 HydrophobicContact CG-CB 4.24Å; F128-W147 AromaticContact CG-CD1 3.77Å; F128-W147 HydrophobicContact CG-CG 4.38Å; F128-W147 HydrophobicContact CZ-CB 4.39Å; F128-L150 HydrophobicContact CE2-CD1 3.46Å; F128-L150 VanDerWaalsContact CE2-CD1 3.46Å; F128-L150 HydrophobicContact CZ-CD1 3.64Å
129C98.3Very high97.7Very high17 Ų1760.1 Ų60.112%0.11530%0.301CS..Hα-helixtrans-66.6-36.7176.5-70.10000112.7Y125 D126 D127 V131 L132 R133 L139Y125-C129 WeakPolarHBondContact CE2-SG 3.36Å; Y125-C129 WeakPolarHBondContact O-CB 3.22Å; Y125-C129 PolarHBondContact O-N 2.81Å; Y125-C129 PolarHBondContact O-SG 3.36Å; D126-C129 PolarHBondContact O-N 3.44Å; D127-C129 PolarHBondContact O-N 2.88Å; C129-V131 VanDerWaalsContact C-N 3.29Å; C129-V131 PolarHBondContact O-N 2.96Å; C129-L132 PolarHBondContact O-N 3.34Å; C129-R133 PolarHBondContact O-N 3.39Å; C129-L139 HydrophobicContact CB-CD1 3.98Å; C129-L139 HydrophobicContact CB-CD2 4.06Å
130K97.9Very high97.7Very high135 Ų13557.1 Ų57.159%0.58729%0.289SS*.Hα-helixtrans-60.9-39.4-179.4-179-179.7175.4-1750111.9D126 D127 F128 R133D126-K130 VanDerWaalsContact O-CB 3.31Å; D126-K130 WeakPolarHBondContact O-CB 3.42Å; D126-K130 PolarHBondContact O-N 3.38Å; D127-K130 WeakPolarHBondContact O-CB 3.48Å; D127-K130 PolarHBondContact O-N 2.59Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.29Å; K130-R133 PolarHBondContact O-NE 2.91Å
131V97.5Very high97.7Very high35 Ų3558.5 Ų58.521%0.21230%0.298CS..Hα-helixtrans-88.9-23-177.7-54.30000113.2V103 I112 I114 D127 F128 C129V103-V131 VanDerWaalsContact CG1-O 3.23Å; V103-V131 WeakPolarHBondContact CG1-O 3.47Å; I112-V131 HydrophobicContact CD1-CB 4.3Å; I112-V131 HydrophobicContact CD1-CG1 3.83Å; I114-V131 HydrophobicContact CD1-CG2 4.13Å; D127-V131 PolarHBondContact O-N 3.04Å; F128-V131 WeakPolarHBondContact O-CG2 3.32Å; C129-V131 VanDerWaalsContact C-N 3.29Å; C129-V131 PolarHBondContact O-N 2.96Å
132L97.9Very high97.7Very high1 Ų159.3 Ų59.31%0.00530%0.304CS..SBendtrans-103.817.4-175.3-61.6-166.9000115.9F85 F100 V103 L104 I114 F128 C129 M143F85-L132 WeakPolarHBondContact CZ-O 3.26Å; F100-L132 HydrophobicContact CE2-CB 4.28Å; F100-L132 HydrophobicContact CE2-CD1 4.24Å; F100-L132 HydrophobicContact CZ-CD1 4.13Å; V103-L132 HydrophobicContact CG1-CD2 4.2Å; L104-L132 HydrophobicContact CD2-CD2 3.5Å; L104-L132 VanDerWaalsContact CD2-CD2 3.5Å; I114-L132 HydrophobicContact CD1-CD2 4.38Å; I114-L132 HydrophobicContact CG1-CD2 4.39Å; F128-L132 HydrophobicContact CD1-CD1 4.15Å; F128-L132 HydrophobicContact CD2-CD1 3.94Å; F128-L132 HydrophobicContact CE1-CD1 3.64Å; F128-L132 HydrophobicContact CE2-CD1 3.36Å; F128-L132 HydrophobicContact CE2-CG 4.41Å; F128-L132 HydrophobicContact CG-CD1 4.3Å; F128-L132 HydrophobicContact CZ-CD1 3.21Å; F128-L132 HydrophobicContact CZ-CG 4.49Å; F128-L132 WeakPolarHBondContact O-CB 3.45Å; F128-L132 WeakPolarHBondContact O-CG 3.39Å; F128-L132 PolarHBondContact O-N 3.42Å; F128-L132 VanDerWaalsContact O-N 3.14Å; C129-L132 PolarHBondContact O-N 3.34Å; L132-M143 HydrophobicContact CB-CE 4.14Å; L132-M143 HydrophobicContact CB-SD 4.46Å; L132-M143 HydrophobicContact CD1-SD 4.46Å
133R97.7Very high97.8Very high135 Ų13553.8 Ų53.851%0.50927%0.274SS..  trans-82.5155.1172.765.7-167.7177.5169.12.5111.9C129 K130 N138 L139C129-R133 PolarHBondContact O-N 3.39Å; K130-R133 PolarHBondContact O-NE 2.91Å; R133-N138 WeakPolarHBondContact CA-O 3.34Å; R133-L139 HydrophobicContact CB-CD2 3.95Å
134D98Very high97.8Very high6 Ų657.8 Ų57.83%0.03229%0.291CS..  trans-77.6179.1172.680.90.5000112.4F85 T86 V87 Y136 G137 N138F85-D134 WeakPolarHBondContact CA-OD2 3.36Å; F85-D134 HydrophobicContact CD1-CB 4.03Å; F85-D134 HydrophobicContact CD2-CB 3.79Å; F85-D134 HydrophobicContact CE1-CB 3.86Å; F85-D134 HydrophobicContact CE2-CB 3.66Å; F85-D134 HydrophobicContact CG-CB 4.01Å; F85-D134 HydrophobicContact CZ-CB 3.69Å; T86-D134 PolarHBondContact N-OD2 2.78Å; T86-D134 VanDerWaalsContact O-CB 3.27Å; T86-D134 WeakPolarHBondContact O-CB 3.3Å; V87-D134 HydrophobicContact CG2-CB 4.18Å; D134-Y136 PolarHBondContact O-N 2.82Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.48Å; D134-Y136 PolarHBondContact OD1-N 2.93Å; D134-G137 PolarHBondContact O-N 3.3Å; D134-G137 PolarHBondContact OD1-N 2.88Å; D134-G137 VanDerWaalsContact OD1-N 3.11Å; D134-N138 PolarHBondContact N-O 2.66Å; D134-N138 WeakPolarHBondContact OD1-CB 3.45Å; D134-N138 PolarHBondContact OD1-N 3.38Å; D134-N138 PolarHBondContact OD1-ND2 3.32Å; D134-N138 PolarHBondContact OD2-ND2 2.84Å
135D97.7Very high97.8Very high73 Ų7360.3 Ų60.339%0.3929%0.293SS..THydrogen-bonded Turntrans-63.5-12.1-176.9-70.8-9.9000113.6T86 K88 R106T86-D135 PolarHBondContact O-N 3.1Å; K88-D135 PolarHBondContact N-OD2 3.48Å; R106-D135 IonicContact CZ-OD1 2.92Å; R106-D135 IonicContact NH1-OD1 3.92Å; R106-D135 PolarHBondContact NH1-OD1 2.73Å; R106-D135 IonicContact NH1-OD2 3.93Å
136Y97Very high97.8Very high138 Ų13856.9 Ų56.954%0.54128%0.28SS..THydrogen-bonded Turntrans-109.98.3179-56.5-82.9000112.3T86 K88 D134 N138T86-Y136 HydrophobicContact CG2-CE2 3.91Å; K88-Y136 WeakPolarHBondContact CE-OH 3.4Å; D134-Y136 PolarHBondContact O-N 2.82Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.48Å; D134-Y136 PolarHBondContact OD1-N 2.93Å; Y136-N138 VanDerWaalsContact C-N 3.32Å; Y136-N138 WeakPolarHBondContact CB-ND2 3.46Å; Y136-N138 PolarHBondContact O-N 2.96Å
137G96.5Very high97.8Very high43 Ų4353.2 Ų53.244%0.44326%0.257SS..SBendtrans7810.6179.800000114.8D134D134-G137 PolarHBondContact O-N 3.3Å; D134-G137 PolarHBondContact OD1-N 2.88Å; D134-G137 VanDerWaalsContact OD1-N 3.11Å
138N97.5Very high97.8Very high51 Ų5151.8 Ų51.827%0.27325%0.248SC..  trans-78.5148.4175.9-52.5-70.7000111.1F85 R133 D134 Y136F85-N138 WeakPolarHBondContact CE2-O 3.37Å; R133-N138 WeakPolarHBondContact CA-O 3.34Å; D134-N138 PolarHBondContact N-O 2.66Å; D134-N138 WeakPolarHBondContact OD1-CB 3.45Å; D134-N138 PolarHBondContact OD1-N 3.38Å; D134-N138 PolarHBondContact OD1-ND2 3.32Å; D134-N138 PolarHBondContact OD2-ND2 2.84Å; Y136-N138 VanDerWaalsContact C-N 3.32Å; Y136-N138 WeakPolarHBondContact CB-ND2 3.46Å; Y136-N138 PolarHBondContact O-N 2.96Å
139L97.4Very high97.8Very high69 Ų6951.9 Ų51.936%0.36125%0.248SC..  trans-104.2151.3169.7-61.7173.2000110.3C129 R133 M143C129-L139 HydrophobicContact CB-CD1 3.98Å; C129-L139 HydrophobicContact CB-CD2 4.06Å; R133-L139 HydrophobicContact CB-CD2 3.95Å; L139-M143 HydrophobicContact CB-CB 4.26Å; L139-M143 HydrophobicContact CB-CE 4.19Å; L139-M143 HydrophobicContact CB-CG 4.43Å; L139-M143 HydrophobicContact CD1-CG 4.39Å; L139-M143 HydrophobicContact CD2-CE 4.02Å; L139-M143 HydrophobicContact CD2-CG 4.34Å
140L97.7Very high97.8Very high4 Ų451.2 Ų51.22%0.02124%0.244CC..  trans-64.5147.6169.1-75.9165.3000111.2F79 F85 F100 M143F79-L140 HydrophobicContact CD1-CD1 3.78Å; F79-L140 HydrophobicContact CD1-CD2 3.78Å; F79-L140 HydrophobicContact CD1-CG 4.47Å; F79-L140 HydrophobicContact CE1-CD1 3.55Å; F79-L140 HydrophobicContact CE1-CD2 4.41Å; F85-L140 HydrophobicContact CB-CD2 3.5Å; F85-L140 HydrophobicContact CB-CG 4.14Å; F85-L140 HydrophobicContact CD1-CD2 4.39Å; F85-L140 HydrophobicContact CD1-CG 4.37Å; F85-L140 HydrophobicContact CD2-CB 4.47Å; F85-L140 HydrophobicContact CD2-CD1 4.41Å; F85-L140 HydrophobicContact CD2-CD2 3.92Å; F85-L140 HydrophobicContact CD2-CG 3.55Å; F85-L140 HydrophobicContact CE2-CD1 4.47Å; F85-L140 HydrophobicContact CE2-CG 3.93Å; F85-L140 HydrophobicContact CG-CD1 4.43Å; F85-L140 HydrophobicContact CG-CD2 3.69Å; F85-L140 HydrophobicContact CG-CG 3.77Å; F100-L140 HydrophobicContact CB-CD1 3.97Å; F100-L140 HydrophobicContact CD1-CD1 4.15Å; F100-L140 HydrophobicContact CD2-CD1 3.35Å; F100-L140 HydrophobicContact CE2-CD1 3.8Å; F100-L140 HydrophobicContact CG-CD1 3.55Å; F100-L140 HydrophobicContact CZ-CD1 4.36Å; L140-M143 HydrophobicContact CB-CE 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.25Å; L140-M143 PolarHBondContact O-N 3.5Å
141P97.3Very high97.8Very high31 Ų3147.4 Ų47.420%0.20123%0.227CC..THydrogen-bonded Turntrans-54.6144.3170.2-23.633.3000111.1A81 M143 R146 R333A81-P141 HydrophobicContact CB-CG 3.75Å; P141-M143 VanDerWaalsContact C-N 3.29Å; P141-M143 PolarHBondContact O-N 3.03Å; P141-R146 PolarHBondContact O-NH1 3.33Å; P141-R333 VanDerWaalsContact CB-NH1 3.28Å
142L97.5Very high97.9Very high59 Ų5950.3 Ų50.331%0.30924%0.238SC..THydrogen-bonded Turntrans62.730.2-177.3-48.9-179.9000113.7F77 F144 R145 R146 R333F77-L142 HydrophobicContact CD2-CD1 4.28Å; F77-L142 HydrophobicContact CE2-CB 3.93Å; F77-L142 HydrophobicContact CE2-CD1 4.19Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 2.97Å; L142-R145 HydrophobicContact CB-CB 4.15Å; L142-R145 HydrophobicContact CB-CG 4.3Å; L142-R145 PolarHBondContact O-N 3.2Å; L142-R145 VanDerWaalsContact O-N 3.08Å; L142-R146 PolarHBondContact O-N 3.28Å; L142-R333 HydrophobicContact CD1-CG 4.23Å
143M98Very high97.9Very high5 Ų550.4 Ų50.43%0.02524%0.239CC..Hα-helixtrans-57.5-41.4175.6-169.458.679.100112.5F100 Y125 F128 L132 L139 L140 P141 R145 R146 W147F100-M143 HydrophobicContact CE2-CE 4.48Å; Y125-M143 HydrophobicContact CE2-CG 4.43Å; F128-M143 HydrophobicContact CD1-CG 4.35Å; F128-M143 HydrophobicContact CD1-SD 4.14Å; F128-M143 HydrophobicContact CE1-CG 4.18Å; F128-M143 HydrophobicContact CE1-SD 3.51Å; F128-M143 VanDerWaalsContact CE1-SD 3.51Å; F128-M143 HydrophobicContact CZ-SD 4.41Å; L132-M143 HydrophobicContact CB-CE 4.14Å; L132-M143 HydrophobicContact CB-SD 4.46Å; L132-M143 HydrophobicContact CD1-SD 4.46Å; L139-M143 HydrophobicContact CB-CB 4.26Å; L139-M143 HydrophobicContact CB-CE 4.19Å; L139-M143 HydrophobicContact CB-CG 4.43Å; L139-M143 HydrophobicContact CD1-CG 4.39Å; L139-M143 HydrophobicContact CD2-CE 4.02Å; L139-M143 HydrophobicContact CD2-CG 4.34Å; L140-M143 HydrophobicContact CB-CE 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.25Å; L140-M143 PolarHBondContact O-N 3.5Å; P141-M143 VanDerWaalsContact C-N 3.29Å; P141-M143 PolarHBondContact O-N 3.03Å; M143-R145 VanDerWaalsContact C-N 3.29Å; M143-R145 PolarHBondContact O-N 3.43Å; M143-R146 WeakPolarHBondContact O-CB 3.38Å; M143-R146 PolarHBondContact O-N 3.3Å; M143-R146 VanDerWaalsContact O-N 3.1Å; M143-R146 HydrophobicContact SD-CB 4.38Å; M143-W147 PolarHBondContact O-N 3.43Å
144F98.4Very high98Very high94 Ų9444.1 Ų44.141%0.41222%0.216SC..Hα-helixtrans-58.6-39.8174.1-173.6-107.5000112.6Y125 L142 W147 Q148Y125-F144 HydrophobicContact CD1-CD2 4.36Å; Y125-F144 AromaticContact CD2-CD2 3.84Å; Y125-F144 HydrophobicContact CD2-CD2 3.84Å; Y125-F144 HydrophobicContact CE1-CD2 4.3Å; Y125-F144 HydrophobicContact CE2-CB 3.95Å; Y125-F144 AromaticContact CE2-CD2 3.79Å; Y125-F144 HydrophobicContact CE2-CD2 3.79Å; Y125-F144 HydrophobicContact CE2-CG 4.38Å; Y125-F144 HydrophobicContact CG-CD2 4.13Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 2.97Å; F144-W147 AromaticContact CD2-CE3 3.9Å; F144-W147 HydrophobicContact CD2-CE3 3.9Å; F144-W147 HydrophobicContact CD2-CZ3 4.27Å; F144-W147 AromaticContact CE2-CE3 3.6Å; F144-W147 HydrophobicContact CE2-CE3 3.6Å; F144-W147 AromaticContact CE2-CZ3 3.5Å; F144-W147 HydrophobicContact CE2-CZ3 3.5Å; F144-W147 VanDerWaalsContact CE2-CZ3 3.5Å; F144-W147 HydrophobicContact CZ-CE3 4.23Å; F144-W147 AromaticContact CZ-CZ3 3.9Å; F144-W147 HydrophobicContact CZ-CZ3 3.9Å; F144-W147 PolarHBondContact O-N 2.78Å; F144-Q148 HydrophobicContact CD1-CG 4.28Å; F144-Q148 HydrophobicContact CE1-CG 3.97Å; F144-Q148 HydrophobicContact CZ-CG 4.16Å; F144-Q148 WeakPolarHBondContact O-CG 3.29Å; F144-Q148 PolarHBondContact O-N 3.07Å
145R98.4Very high98Very high97 Ų9748.2 Ų48.237%0.36623%0.233SC..Hα-helixtrans-66.9-37.7175-63.7-63.1-66.8167.9-5.7111.9F77 L142 M143 W147 Q148 L149F77-R145 HydrophobicContact CE2-CB 4.5Å; F77-R145 HydrophobicContact CZ-CB 4.4Å; L142-R145 HydrophobicContact CB-CB 4.15Å; L142-R145 HydrophobicContact CB-CG 4.3Å; L142-R145 PolarHBondContact O-N 3.2Å; L142-R145 VanDerWaalsContact O-N 3.08Å; M143-R145 VanDerWaalsContact C-N 3.29Å; M143-R145 PolarHBondContact O-N 3.43Å; R145-W147 VanDerWaalsContact C-N 3.34Å; R145-Q148 PolarHBondContact O-N 3.38Å; R145-L149 WeakPolarHBondContact O-CB 3.24Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.3Å; R145-L149 PolarHBondContact O-N 3.02Å
146R98.4Very high98Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-58.9-46.7173.5-72.1-177.4172.478-13.4111.7I75 F77 F128 P141 L142 M143 L149 L150I75-R146 HydrophobicContact CB-CB 4.11Å; I75-R146 HydrophobicContact CB-CG 3.74Å; I75-R146 HydrophobicContact CG2-CB 3.67Å; I75-R146 HydrophobicContact CG2-CG 3.84Å; I75-R146 PolarHBondContact O-NE 2.85Å; F77-R146 HydrophobicContact CE1-CG 4.05Å; F77-R146 HydrophobicContact CE2-CG 3.98Å; F77-R146 HydrophobicContact CZ-CB 4.37Å; F77-R146 HydrophobicContact CZ-CG 3.47Å; F77-R146 VanDerWaalsContact CZ-CG 3.47Å; F77-R146 VanDerWaalsContact O-CZ 3.25Å; F77-R146 PolarHBondContact O-NH2 3.47Å; F128-R146 HydrophobicContact CE1-CB 4.18Å; F128-R146 HydrophobicContact CZ-CB 4.21Å; P141-R146 PolarHBondContact O-NH1 3.33Å; L142-R146 PolarHBondContact O-N 3.28Å; M143-R146 WeakPolarHBondContact O-CB 3.38Å; M143-R146 PolarHBondContact O-N 3.3Å; M143-R146 VanDerWaalsContact O-N 3.1Å; M143-R146 HydrophobicContact SD-CB 4.38Å; R146-L149 PolarHBondContact O-N 3.22Å; R146-L150 WeakPolarHBondContact O-CG 3.39Å; R146-L150 PolarHBondContact O-N 3.13Å
147W98.6Very high98.1Very high45 Ų4539.7 Ų39.717%0.1720%0.197CC..Hα-helixtrans-59.5-48.4176.9173.675.3000111.9V123 Y125 F128 M143 F144 R145 L150 K151V123-W147 PolarHBondContact O-NE1 3.3Å; Y125-W147 HydrophobicContact CD2-CB 3.85Å; Y125-W147 AromaticContact CD2-CD2 3.94Å; Y125-W147 HydrophobicContact CD2-CD2 3.94Å; Y125-W147 HydrophobicContact CD2-CE3 4.23Å; Y125-W147 AromaticContact CD2-CG 3.77Å; Y125-W147 HydrophobicContact CD2-CG 3.77Å; Y125-W147 HydrophobicContact CE2-CB 4.32Å; Y125-W147 HydrophobicContact CG-CD2 4.4Å; F128-W147 HydrophobicContact CD1-CB 3.69Å; F128-W147 HydrophobicContact CD1-CG 4.25Å; F128-W147 HydrophobicContact CE1-CB 3.75Å; F128-W147 HydrophobicContact CG-CB 4.24Å; F128-W147 AromaticContact CG-CD1 3.77Å; F128-W147 HydrophobicContact CG-CG 4.38Å; F128-W147 HydrophobicContact CZ-CB 4.39Å; M143-W147 PolarHBondContact O-N 3.43Å; F144-W147 AromaticContact CD2-CE3 3.9Å; F144-W147 HydrophobicContact CD2-CE3 3.9Å; F144-W147 HydrophobicContact CD2-CZ3 4.27Å; F144-W147 AromaticContact CE2-CE3 3.6Å; F144-W147 HydrophobicContact CE2-CE3 3.6Å; F144-W147 AromaticContact CE2-CZ3 3.5Å; F144-W147 HydrophobicContact CE2-CZ3 3.5Å; F144-W147 VanDerWaalsContact CE2-CZ3 3.5Å; F144-W147 HydrophobicContact CZ-CE3 4.23Å; F144-W147 AromaticContact CZ-CZ3 3.9Å; F144-W147 HydrophobicContact CZ-CZ3 3.9Å; F144-W147 PolarHBondContact O-N 2.78Å; R145-W147 VanDerWaalsContact C-N 3.34Å; W147-L150 PolarHBondContact O-N 3.46Å; W147-K151 HydrophobicContact CD2-CD 3.97Å; W147-K151 HydrophobicContact CH2-CD 4Å; W147-K151 HydrophobicContact CZ2-CD 3.39Å; W147-K151 WeakPolarHBondContact O-CG 3.49Å; W147-K151 PolarHBondContact O-N 2.91Å; W147-K151 VanDerWaalsContact O-N 3.11Å
148Q98.5Very high98.2Very high48 Ų4840.5 Ų40.522%0.22419%0.193CC..Hα-helixtrans-58.8-50176.8-70.5-176.6-58.200112F144 R145 L150 K151 E152F144-Q148 HydrophobicContact CD1-CG 4.28Å; F144-Q148 HydrophobicContact CE1-CG 3.97Å; F144-Q148 HydrophobicContact CZ-CG 4.16Å; F144-Q148 WeakPolarHBondContact O-CG 3.29Å; F144-Q148 PolarHBondContact O-N 3.07Å; R145-Q148 PolarHBondContact O-N 3.38Å; Q148-L150 PolarHBondContact O-N 2.87Å; Q148-K151 PolarHBondContact O-N 3.41Å; Q148-E152 WeakPolarHBondContact O-CG 3.35Å; Q148-E152 PolarHBondContact O-N 3.32Å
149L98.5Very high98.2Very high3 Ų343.8 Ų43.82%0.01621%0.207CC..Hα-helixtrans-64-38.7-177.3-70.9-176.2000112.5V74 F77 R145 R146 E152 C153 S189 I335V74-L149 HydrophobicContact CG1-CB 3.91Å; F77-L149 HydrophobicContact CE1-CD1 3.77Å; F77-L149 HydrophobicContact CZ-CD1 3.96Å; R145-L149 WeakPolarHBondContact O-CB 3.24Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.3Å; R145-L149 PolarHBondContact O-N 3.02Å; R146-L149 PolarHBondContact O-N 3.22Å; L149-E152 PolarHBondContact O-N 3.43Å; L149-C153 VanDerWaalsContact O-CB 3.23Å; L149-C153 WeakPolarHBondContact O-CB 3.17Å; L149-C153 PolarHBondContact O-N 3.45Å; L149-C153 PolarHBondContact O-SG 3.05Å; L149-S189 VanDerWaalsContact CD2-CB 3.42Å; L149-I335 HydrophobicContact CD1-CB 4.27Å; L149-I335 HydrophobicContact CD1-CD1 4.27Å; L149-I335 HydrophobicContact CD1-CG2 4.05Å
150L98.1Very high98.3Very high3 Ų345.5 Ų45.52%0.01621%0.213CC..Hα-helixtrans-63.9-44.5174.2-77173000111.6M71 V74 I75 L120 F128 R146 W147 Q148 E152 C153 C154M71-L150 HydrophobicContact CG-CD2 3.82Å; V74-L150 HydrophobicContact CB-CD2 3.89Å; V74-L150 HydrophobicContact CG1-CD2 3.76Å; V74-L150 HydrophobicContact CG1-CG 4.15Å; I75-L150 HydrophobicContact CD1-CD1 4.15Å; I75-L150 HydrophobicContact CG2-CD1 3.69Å; I75-L150 HydrophobicContact CG2-CD2 3.93Å; I75-L150 HydrophobicContact CG2-CG 3.51Å; L120-L150 HydrophobicContact CD1-CD2 4.3Å; L120-L150 HydrophobicContact CD2-CD1 4.34Å; F128-L150 HydrophobicContact CE2-CD1 3.46Å; F128-L150 VanDerWaalsContact CE2-CD1 3.46Å; F128-L150 HydrophobicContact CZ-CD1 3.64Å; R146-L150 WeakPolarHBondContact O-CG 3.39Å; R146-L150 PolarHBondContact O-N 3.13Å; W147-L150 PolarHBondContact O-N 3.46Å; Q148-L150 PolarHBondContact O-N 2.87Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.96Å; L150-C153 PolarHBondContact O-N 3.03Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.8Å; L150-C154 PolarHBondContact O-SG 2.67Å
151K98.4Very high98.3Very high55 Ų5545.7 Ų45.724%0.23921%0.214CC..Hα-helixtrans-59.3-47.1176.7-71.5175.679.682.70111.7L120 E121 V123 W147 Q148 K155L120-K151 WeakPolarHBondContact O-CG 3.4Å; E121-K151 VanDerWaalsContact O-CE 3.27Å; E121-K151 WeakPolarHBondContact O-CE 3.48Å; E121-K151 PolarHBondContact O-NZ 3.3Å; V123-K151 PolarHBondContact O-NZ 3.45Å; W147-K151 HydrophobicContact CD2-CD 3.97Å; W147-K151 HydrophobicContact CH2-CD 4Å; W147-K151 HydrophobicContact CZ2-CD 3.39Å; W147-K151 WeakPolarHBondContact O-CG 3.49Å; W147-K151 PolarHBondContact O-N 2.91Å; W147-K151 VanDerWaalsContact O-N 3.11Å; Q148-K151 PolarHBondContact O-N 3.41Å; K151-K155 VanDerWaalsContact O-CB 3.25Å; K151-K155 WeakPolarHBondContact O-CB 3.24Å; K151-K155 PolarHBondContact O-N 3.06Å
152E98.3Very high98.3Very high97 Ų9750.4 Ų50.445%0.45324%0.237SC..Hα-helixtrans-60.1-50178.4-70.7166.4-165.200111.6Q148 L149 L150 I156Q148-E152 WeakPolarHBondContact O-CG 3.35Å; Q148-E152 PolarHBondContact O-N 3.32Å; L149-E152 PolarHBondContact O-N 3.43Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.96Å; E152-I156 WeakPolarHBondContact O-CG1 3.45Å; E152-I156 PolarHBondContact O-N 2.96Å
153C98.6Very high98.3Very high3 Ų348.2 Ų48.22%0.0223%0.229CC..Hα-helixtrans-67.4-41-179.8-74.20000112.7F70 V74 L149 L150 I156 L157 F187F70-C153 HydrophobicContact CE1-CB 4.12Å; F70-C153 HydrophobicContact CZ-CB 3.82Å; V74-C153 HydrophobicContact CG1-CB 4.38Å; V74-C153 HydrophobicContact CG2-CB 4.1Å; L149-C153 VanDerWaalsContact O-CB 3.23Å; L149-C153 WeakPolarHBondContact O-CB 3.17Å; L149-C153 PolarHBondContact O-N 3.45Å; L149-C153 PolarHBondContact O-SG 3.05Å; L150-C153 PolarHBondContact O-N 3.03Å; C153-I156 PolarHBondContact O-N 3.13Å; C153-L157 PolarHBondContact O-N 3.24Å; C153-L157 VanDerWaalsContact O-N 3.09Å; C153-F187 HydrophobicContact CB-CD1 4Å; C153-F187 HydrophobicContact CB-CE1 4.4Å
154C98.5Very high98.4Very high3 Ų348.5 Ų48.52%0.0223%0.231CC..Hα-helixtrans-70.5-36.4179.9-70.20000112.3P117 L120 E121 L150 I156 L157 V158P117-C154 HydrophobicContact CB-CB 3.89Å; P117-C154 WeakPolarHBondContact O-CB 3.37Å; L120-C154 HydrophobicContact CB-CB 4.14Å; L120-C154 VanDerWaalsContact CB-SG 3.56Å; L120-C154 VanDerWaalsContact CD1-SG 3.57Å; E121-C154 HydrophobicContact CB-CB 4.33Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.8Å; L150-C154 PolarHBondContact O-SG 2.67Å; C154-I156 VanDerWaalsContact C-N 3.29Å; C154-I156 PolarHBondContact O-N 3.4Å; C154-L157 WeakPolarHBondContact O-CB 3.47Å; C154-L157 PolarHBondContact O-N 3.46Å; C154-L157 VanDerWaalsContact O-N 3.15Å; C154-V158 WeakPolarHBondContact O-CG2 3.45Å; C154-V158 PolarHBondContact O-N 3.4Å
155K98.4Very high98.4Very high92 Ų9244 Ų4440%0.421%0.211SC..Hα-helixtrans-55.8-45.9170.5178.1171.2-174.8-178.70111.6E121 K151 L157 V158 E159E121-K155 HydrophobicContact CG-CB 4.08Å; E121-K155 WeakPolarHBondContact OE1-CG 3.41Å; K151-K155 VanDerWaalsContact O-CB 3.25Å; K151-K155 WeakPolarHBondContact O-CB 3.24Å; K151-K155 PolarHBondContact O-N 3.06Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 PolarHBondContact O-N 3.3Å; K155-V158 PolarHBondContact O-N 3.43Å; K155-E159 VanDerWaalsContact CE-CD 3.42Å; K155-E159 WeakPolarHBondContact CE-OE1 3.28Å; K155-E159 HydrophobicContact CG-CG 4.31Å; K155-E159 IonicContact NZ-OE1 3.73Å; K155-E159 WeakPolarHBondContact O-CB 3.3Å; K155-E159 WeakPolarHBondContact O-CG 3.5Å; K155-E159 PolarHBondContact O-N 3.02Å
156I98.5Very high98.4Very high32 Ų3240.7 Ų40.716%0.16420%0.2CC..Hα-helixtrans-61.9-41.3177.4-65.8169.2000111E152 C153 C154 Q160 F161 N186 F187E152-I156 WeakPolarHBondContact O-CG1 3.45Å; E152-I156 PolarHBondContact O-N 2.96Å; C153-I156 PolarHBondContact O-N 3.13Å; C154-I156 VanDerWaalsContact C-N 3.29Å; C154-I156 PolarHBondContact O-N 3.4Å; I156-Q160 WeakPolarHBondContact O-CB 3.43Å; I156-Q160 PolarHBondContact O-N 2.93Å; I156-F161 HydrophobicContact CG2-CD2 4.09Å; I156-F161 HydrophobicContact CG2-CE2 3.82Å; I156-N186 WeakPolarHBondContact CD1-O 3.49Å; I156-N186 HydrophobicContact CG2-CB 4.32Å; I156-F187 HydrophobicContact CB-CD1 4.44Å; I156-F187 HydrophobicContact CB-CE1 3.93Å; I156-F187 HydrophobicContact CD1-CD1 4.36Å; I156-F187 HydrophobicContact CG2-CD1 4.28Å; I156-F187 HydrophobicContact CG2-CE1 3.66Å; I156-F187 HydrophobicContact CG2-CZ 4.03Å
157L98.6Very high98.4Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-61.6-44.2174.7-70.4-177.8000112.7F70 P117 C153 C154 K155 F161 D162 G163 F165 F187F70-L157 HydrophobicContact CD1-CD1 3.7Å; F70-L157 HydrophobicContact CE1-CD1 3.38Å; F70-L157 HydrophobicContact CE1-CG 4.11Å; F70-L157 HydrophobicContact CZ-CD1 4.05Å; F70-L157 HydrophobicContact CZ-CG 4.34Å; P117-L157 HydrophobicContact CB-CB 4.1Å; P117-L157 HydrophobicContact CB-CD1 4.28Å; P117-L157 HydrophobicContact CG-CB 4.21Å; P117-L157 HydrophobicContact CG-CD1 3.68Å; C153-L157 PolarHBondContact O-N 3.24Å; C153-L157 VanDerWaalsContact O-N 3.09Å; C154-L157 WeakPolarHBondContact O-CB 3.47Å; C154-L157 PolarHBondContact O-N 3.46Å; C154-L157 VanDerWaalsContact O-N 3.15Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 PolarHBondContact O-N 3.3Å; L157-F161 HydrophobicContact CD2-CB 3.87Å; L157-F161 HydrophobicContact CD2-CD2 4.1Å; L157-F161 HydrophobicContact CD2-CG 4.28Å; L157-F161 CarbonylContact O-C 3.16Å; L157-F161 WeakPolarHBondContact O-CA 3.41Å; L157-F161 PolarHBondContact O-N 3.32Å; L157-D162 PolarHBondContact O-N 2.96Å; L157-G163 WeakPolarHBondContact O-CA 3.33Å; L157-G163 PolarHBondContact O-N 2.78Å; L157-F165 HydrophobicContact CD1-CB 4.41Å; L157-F165 HydrophobicContact CD2-CB 4.36Å; L157-F165 HydrophobicContact CD2-CD2 4.17Å; L157-F187 HydrophobicContact CD2-CE1 4.21Å; L157-F187 HydrophobicContact CD2-CZ 3.72Å; L157-F187 HydrophobicContact CG-CE1 4.27Å; L157-F187 HydrophobicContact CG-CZ 4.28Å
158V98.5Very high98.4Very high60 Ų6039.6 Ų39.636%0.36420%0.199SC..Hα-helixtrans-64.8-44.8179.4171.20000111.3P117 A118 C154 K155P117-V158 HydrophobicContact CB-CG2 3.98Å; A118-V158 HydrophobicContact CB-CG2 4.45Å; C154-V158 WeakPolarHBondContact O-CG2 3.45Å; C154-V158 PolarHBondContact O-N 3.4Å; K155-V158 PolarHBondContact O-N 3.43Å
159E98.2Very high98.4Very high119 Ų11937.3 Ų37.356%0.55619%0.188SC*.Hα-helixtrans-77.6-29.8-174.9-69.7178.9160.400113.6K155K155-E159 VanDerWaalsContact CE-CD 3.42Å; K155-E159 WeakPolarHBondContact CE-OE1 3.28Å; K155-E159 HydrophobicContact CG-CG 4.31Å; K155-E159 IonicContact NZ-OE1 3.73Å; K155-E159 WeakPolarHBondContact O-CB 3.3Å; K155-E159 WeakPolarHBondContact O-CG 3.5Å; K155-E159 PolarHBondContact O-N 3.02Å
160Q98Very high98.4Very high106 Ų10643.2 Ų43.250%0.49521%0.214SC..Hα-helixtrans-129.3-15.4-165.6-56178.340.700114.9I156I156-Q160 WeakPolarHBondContact O-CB 3.43Å; I156-Q160 PolarHBondContact O-N 2.93Å
161F98.4Very high98.3Very high8 Ų847.8 Ų47.84%0.03524%0.235CC..SBendtrans-136.137.6-171.5-59-74.2000112.7I156 L157 G163 T164 T167 C168 N186 F187I156-F161 HydrophobicContact CG2-CD2 4.09Å; I156-F161 HydrophobicContact CG2-CE2 3.82Å; L157-F161 HydrophobicContact CD2-CB 3.87Å; L157-F161 HydrophobicContact CD2-CD2 4.1Å; L157-F161 HydrophobicContact CD2-CG 4.28Å; L157-F161 CarbonylContact O-C 3.16Å; L157-F161 WeakPolarHBondContact O-CA 3.41Å; L157-F161 PolarHBondContact O-N 3.32Å; F161-G163 PolarHBondContact O-N 2.84Å; F161-T164 PolarHBondContact O-N 3.25Å; F161-T167 HydrophobicContact CB-CG2 4.26Å; F161-T167 HydrophobicContact CD1-CG2 4.12Å; F161-T167 WeakPolarHBondContact O-CB 3.5Å; F161-T167 PolarHBondContact O-OG1 3.49Å; F161-C168 WeakPolarHBondContact CD1-SG 3.38Å; F161-C168 WeakPolarHBondContact CG-SG 3.42Å; F161-N186 HydrophobicContact CE2-CB 3.97Å; F161-N186 HydrophobicContact CZ-CB 4.1Å; F161-F187 HydrophobicContact CD2-CZ 4.27Å; F161-F187 HydrophobicContact CE2-CZ 4.21Å
162D98Very high98.3Very high130 Ų13045.1 Ų45.170%0.69522%0.223SC*.THydrogen-bonded Turntrans5426.4174.9-48.7-56.1000114.7L157 T164 T167L157-D162 PolarHBondContact O-N 2.96Å; D162-T164 VanDerWaalsContact C-N 3.32Å; D162-T164 PolarHBondContact O-N 3.29Å; D162-T167 WeakPolarHBondContact OD2-CG2 3.48Å; D162-T167 PolarHBondContact OD2-OG1 3.27Å; D162-T167 VanDerWaalsContact OD2-OG1 3.13Å
163G98.1Very high98.2Very high13 Ų1346.7 Ų46.713%0.13424%0.235CC..THydrogen-bonded Turntrans66.327.7-17800000114.4R63 P117 L157 F161R63-G163 PolarHBondContact NH2-O 3.2Å; P117-G163 WeakPolarHBondContact CD-O 3.42Å; P117-G163 VanDerWaalsContact CG-O 3.31Å; P117-G163 WeakPolarHBondContact CG-O 3.48Å; L157-G163 WeakPolarHBondContact O-CA 3.33Å; L157-G163 PolarHBondContact O-N 2.78Å; F161-G163 PolarHBondContact O-N 2.84Å
164T98.5Very high98.1Very high10 Ų1048.1 Ų48.16%0.06124%0.242CC..SBendtrans-152.6144.3175.9178.50000112.5D67 F161 D162 L166 T167D67-T164 VanDerWaalsContact CG-OG1 3.27Å; D67-T164 WeakPolarHBondContact OD1-CA 3.36Å; D67-T164 PolarHBondContact OD1-OG1 3.2Å; D67-T164 PolarHBondContact OD2-OG1 3.38Å; D67-T164 VanDerWaalsContact OD2-OG1 3.04Å; F161-T164 PolarHBondContact O-N 3.25Å; D162-T164 VanDerWaalsContact C-N 3.32Å; D162-T164 PolarHBondContact O-N 3.29Å; T164-L166 HydrophobicContact CG2-CB 4.04Å; T164-L166 PolarHBondContact O-N 2.77Å; T164-L166 WeakPolarHBondContact OG1-CB 3.26Å; T164-L166 PolarHBondContact OG1-N 3.15Å; T164-L166 VanDerWaalsContact OG1-N 3.14Å; T164-T167 PolarHBondContact O-N 2.86Å
165F98.6Very high98.1Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-71.2-15.7173.5-166-96.6000112.3V66 D67 F70 L157 T167 C168 L169 L179 I183 F187 L210 L214V66-F165 HydrophobicContact CG1-CB 4.15Å; V66-F165 HydrophobicContact CG1-CD1 4.05Å; D67-F165 PolarHBondContact OD1-N 2.79Å; F70-F165 HydrophobicContact CB-CB 3.68Å; F70-F165 HydrophobicContact CB-CD1 4.23Å; F70-F165 HydrophobicContact CB-CD2 4.19Å; F70-F165 HydrophobicContact CB-CG 3.76Å; F70-F165 HydrophobicContact CD1-CB 4.34Å; F70-F165 HydrophobicContact CD1-CD2 4.43Å; F70-F165 HydrophobicContact CD2-CB 4.13Å; F70-F165 HydrophobicContact CD2-CD1 4.29Å; F70-F165 AromaticContact CD2-CD2 3.07Å; F70-F165 HydrophobicContact CD2-CD2 3.07Å; F70-F165 AromaticContact CD2-CE2 3.44Å; F70-F165 HydrophobicContact CD2-CE2 3.44Å; F70-F165 VanDerWaalsContact CD2-CE2 3.44Å; F70-F165 AromaticContact CD2-CG 3.57Å; F70-F165 HydrophobicContact CD2-CG 3.57Å; F70-F165 HydrophobicContact CD2-CZ 4.21Å; F70-F165 AromaticContact CE2-CD2 3.37Å; F70-F165 HydrophobicContact CE2-CD2 3.37Å; F70-F165 AromaticContact CE2-CE2 3.57Å; F70-F165 HydrophobicContact CE2-CE2 3.57Å; F70-F165 HydrophobicContact CE2-CG 4.29Å; F70-F165 HydrophobicContact CG-CB 3.79Å; F70-F165 AromaticContact CG-CD2 3.66Å; F70-F165 HydrophobicContact CG-CD2 3.66Å; F70-F165 HydrophobicContact CG-CE2 4.42Å; F70-F165 AromaticContact CG-CG 3.73Å; F70-F165 HydrophobicContact CG-CG 3.73Å; F70-F165 HydrophobicContact CZ-CD2 4.16Å; L157-F165 HydrophobicContact CD1-CB 4.41Å; L157-F165 HydrophobicContact CD2-CB 4.36Å; L157-F165 HydrophobicContact CD2-CD2 4.17Å; F165-T167 PolarHBondContact O-N 3.32Å; F165-C168 HydrophobicContact CD1-CB 4.44Å; F165-C168 HydrophobicContact CD2-CB 4Å; F165-C168 HydrophobicContact CE1-CB 4.22Å; F165-C168 HydrophobicContact CE2-CB 3.79Å; F165-C168 HydrophobicContact CG-CB 4.33Å; F165-C168 HydrophobicContact CZ-CB 3.9Å; F165-C168 WeakPolarHBondContact O-CB 3.28Å; F165-C168 PolarHBondContact O-N 3.24Å; F165-L169 PolarHBondContact O-N 3.31Å; F165-L179 HydrophobicContact CE1-CD1 4.1Å; F165-L179 HydrophobicContact CZ-CD1 3.98Å; F165-I183 HydrophobicContact CE2-CG1 4.22Å; F165-I183 HydrophobicContact CZ-CD1 4.1Å; F165-I183 HydrophobicContact CZ-CG1 3.76Å; F165-F187 HydrophobicContact CD2-CE2 4.34Å; F165-F187 HydrophobicContact CD2-CZ 4.4Å; F165-F187 AromaticContact CE2-CE2 3.86Å; F165-F187 HydrophobicContact CE2-CE2 3.86Å; F165-F187 HydrophobicContact CE2-CZ 4.36Å; F165-L210 HydrophobicContact CE1-CD1 4.48Å; F165-L210 HydrophobicContact CE1-CD2 4.09Å; F165-L210 HydrophobicContact CE1-CG 4.38Å; F165-L210 HydrophobicContact CE2-CD2 4.15Å; F165-L210 HydrophobicContact CZ-CD2 3.72Å; F165-L210 HydrophobicContact CZ-CG 4.43Å; F165-L214 HydrophobicContact CD1-CD1 4.01Å; F165-L214 HydrophobicContact CE1-CD1 3.53Å
166L98.4Very high98.1Very high27 Ų2744.4 Ų44.414%0.14123%0.228CC..Hα-helixtrans-56.9-31.7174.3-177.861.5000112.5R63 V66 T164 L169 K170 P223R63-L166 HydrophobicContact CB-CD2 4.02Å; R63-L166 HydrophobicContact CG-CD2 4.39Å; V66-L166 HydrophobicContact CG1-CB 4.16Å; V66-L166 HydrophobicContact CG2-CD1 4.25Å; T164-L166 HydrophobicContact CG2-CB 4.04Å; T164-L166 PolarHBondContact O-N 2.77Å; T164-L166 WeakPolarHBondContact OG1-CB 3.26Å; T164-L166 PolarHBondContact OG1-N 3.15Å; T164-L166 VanDerWaalsContact OG1-N 3.14Å; L166-L169 HydrophobicContact CD1-CD2 4.33Å; L166-L169 PolarHBondContact O-N 3.5Å; L166-K170 HydrophobicContact CD1-CG 4.46Å; L166-K170 HydrophobicContact CG-CD 4.34Å; L166-K170 WeakPolarHBondContact O-CG 3.47Å; L166-K170 PolarHBondContact O-N 3.01Å; L166-P223 HydrophobicContact CD1-CG 3.64Å
167T98.5Very high98.1Very high22 Ų2244.8 Ų44.814%0.13523%0.232CC..Hα-helixtrans-65.8-44175.8-63.40000111F161 D162 T164 F165 L169 K170 Q171F161-T167 HydrophobicContact CB-CG2 4.26Å; F161-T167 HydrophobicContact CD1-CG2 4.12Å; F161-T167 WeakPolarHBondContact O-CB 3.5Å; F161-T167 PolarHBondContact O-OG1 3.49Å; D162-T167 WeakPolarHBondContact OD2-CG2 3.48Å; D162-T167 PolarHBondContact OD2-OG1 3.27Å; D162-T167 VanDerWaalsContact OD2-OG1 3.13Å; T164-T167 PolarHBondContact O-N 2.86Å; F165-T167 PolarHBondContact O-N 3.32Å; T167-L169 VanDerWaalsContact C-N 3.32Å; T167-L169 PolarHBondContact O-N 2.92Å; T167-K170 PolarHBondContact O-N 3.34Å; T167-Q171 VanDerWaalsContact O-CG 3.27Å; T167-Q171 WeakPolarHBondContact O-CG 3.43Å; T167-Q171 PolarHBondContact O-N 2.88Å
168C98.6Very high98Very high0 Ų048.3 Ų48.30%025%0.25CS..Hα-helixtrans-58.5-44.5172.3-59.20000111.7F161 F165 Q171 C172 L179 I182F161-C168 WeakPolarHBondContact CD1-SG 3.38Å; F161-C168 WeakPolarHBondContact CG-SG 3.42Å; F165-C168 HydrophobicContact CD1-CB 4.44Å; F165-C168 HydrophobicContact CD2-CB 4Å; F165-C168 HydrophobicContact CE1-CB 4.22Å; F165-C168 HydrophobicContact CE2-CB 3.79Å; F165-C168 HydrophobicContact CG-CB 4.33Å; F165-C168 HydrophobicContact CZ-CB 3.9Å; F165-C168 WeakPolarHBondContact O-CB 3.28Å; F165-C168 PolarHBondContact O-N 3.24Å; C168-Q171 PolarHBondContact O-N 2.84Å; C168-C172 PolarHBondContact O-N 2.91Å; C168-L179 HydrophobicContact CB-CD1 4.45Å; C168-I182 HydrophobicContact CB-CG2 4.02Å
169L98.5Very high98Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-62.5-44.7-179.6-179.457.8000111.6V66 F165 L166 T167 Q171 C172 L179 L214 L218 P223 A224 F226V66-L169 HydrophobicContact CG1-CD2 4.25Å; V66-L169 HydrophobicContact CG2-CD2 3.77Å; F165-L169 PolarHBondContact O-N 3.31Å; L166-L169 HydrophobicContact CD1-CD2 4.33Å; L166-L169 PolarHBondContact O-N 3.5Å; T167-L169 VanDerWaalsContact C-N 3.32Å; T167-L169 PolarHBondContact O-N 2.92Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.47Å; L169-C172 PolarHBondContact O-N 3.1Å; L169-C172 PolarHBondContact O-SG 3.49Å; L169-L179 HydrophobicContact CD1-CD2 3.78Å; L169-L214 HydrophobicContact CD1-CD1 4.48Å; L169-L214 HydrophobicContact CD2-CD2 4.35Å; L169-L218 HydrophobicContact CD2-CD1 3.81Å; L169-P223 WeakPolarHBondContact CD1-O 3.34Å; L169-P223 HydrophobicContact CD2-CG 3.77Å; L169-P223 HydrophobicContact CG-CB 4.28Å; L169-P223 HydrophobicContact CG-CG 3.94Å; L169-P223 WeakPolarHBondContact CG-O 3.48Å; L169-A224 HydrophobicContact CD1-CB 4.12Å; L169-A224 HydrophobicContact CD2-CB 4.31Å; L169-F226 HydrophobicContact CD1-CE1 3.76Å; L169-F226 HydrophobicContact CD1-CZ 3.53Å
170K98Very high98Very high128 Ų12840 Ų4056%0.55721%0.208SC*.Hα-helixtrans-63.7-35.7175.1-73.1173.9176.51790112.9L166 T167 C172 P223L166-K170 HydrophobicContact CD1-CG 4.46Å; L166-K170 HydrophobicContact CG-CD 4.34Å; L166-K170 WeakPolarHBondContact O-CG 3.47Å; L166-K170 PolarHBondContact O-N 3.01Å; T167-K170 PolarHBondContact O-N 3.34Å; K170-C172 VanDerWaalsContact C-N 3.26Å; K170-C172 PolarHBondContact O-N 3.16Å; K170-P223 HydrophobicContact CG-CB 4.03Å; K170-P223 HydrophobicContact CG-CG 4.3Å
171Q97.9Very high98Very high98 Ų9837.8 Ų37.846%0.45820%0.199SC..Hα-helixtrans-70.6-17.9-179.6-74.6176.510.100113.9T167 C168 L169 N173 I182T167-Q171 VanDerWaalsContact O-CG 3.27Å; T167-Q171 WeakPolarHBondContact O-CG 3.43Å; T167-Q171 PolarHBondContact O-N 2.88Å; C168-Q171 PolarHBondContact O-N 2.84Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.47Å; Q171-N173 PolarHBondContact O-N 2.98Å; Q171-I182 HydrophobicContact CB-CD1 3.95Å
172C97.5Very high98Very high0 Ų038.7 Ų38.70%020%0.204CC..THydrogen-bonded Turntrans-74.9-10-178.183.50000114.1C168 L169 K170 N174 S175 N178 L179 I182C168-C172 PolarHBondContact O-N 2.91Å; L169-C172 PolarHBondContact O-N 3.1Å; L169-C172 PolarHBondContact O-SG 3.49Å; K170-C172 VanDerWaalsContact C-N 3.26Å; K170-C172 PolarHBondContact O-N 3.16Å; C172-N174 PolarHBondContact O-N 3.14Å; C172-S175 PolarHBondContact O-N 2.92Å; C172-N178 HydrophobicContact CB-CB 4.18Å; C172-N178 WeakPolarHBondContact O-CB 3.4Å; C172-N178 PolarHBondContact O-ND2 2.88Å; C172-L179 HydrophobicContact CB-CB 3.68Å; C172-L179 HydrophobicContact CB-CD1 4.19Å; C172-L179 HydrophobicContact CB-CG 4.47Å; C172-I182 HydrophobicContact CB-CD1 3.94Å
173N95.2Very high98Very high130 Ų13032.5 Ų32.570%0.69517%0.171SC*.  trans51.751.3-179.3-59.5-37.4000112.6Q171 S175Q171-N173 PolarHBondContact O-N 2.98Å; N173-S175 VanDerWaalsContact C-N 3.27Å; N173-S175 PolarHBondContact O-N 3.32Å
174N97.7Very high97.9Very high33 Ų3332.8 Ų32.818%0.17617%0.17CC..SBendtrans5736.8177.3-66.3-21.8000114.4C172 E222 A225 F226 N227C172-N174 PolarHBondContact O-N 3.14Å; N174-E222 VanDerWaalsContact ND2-CD 3.31Å; N174-E222 PolarHBondContact ND2-OE1 3.11Å; N174-E222 PolarHBondContact ND2-OE2 3.42Å; N174-E222 PolarHBondContact OD1-OE2 3.46Å; N174-A225 WeakPolarHBondContact CB-O 3.4Å; N174-F226 WeakPolarHBondContact O-CA 3.32Å; N174-N227 PolarHBondContact O-N 2.62Å; N174-N227 PolarHBondContact O-ND2 3.29Å
175S98.4Very high97.8Very high17 Ų1735.8 Ų35.812%0.11919%0.188CC..  trans-126.3119.5171163.20000111C172 N173 V177 N178 L179 D228C172-S175 PolarHBondContact O-N 2.92Å; N173-S175 VanDerWaalsContact C-N 3.27Å; N173-S175 PolarHBondContact O-N 3.32Å; S175-V177 VanDerWaalsContact C-N 3.28Å; S175-V177 PolarHBondContact O-N 3.35Å; S175-V177 PolarHBondContact OG-N 2.92Å; S175-N178 WeakPolarHBondContact CB-ND2 3.47Å; S175-N178 PolarHBondContact O-N 2.9Å; S175-N178 PolarHBondContact OG-N 3.44Å; S175-L179 PolarHBondContact O-N 2.91Å; S175-D228 VanDerWaalsContact CA-OD1 3.25Å; S175-D228 WeakPolarHBondContact CA-OD1 3.49Å; S175-D228 WeakPolarHBondContact CB-OD2 3.23Å; S175-D228 PolarHBondContact OG-OD2 2.98Å
176A98.2Very high97.8Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-56.4-42171.100000111.1L179 L180 V211 F226 D228A176-L179 PolarHBondContact O-N 3.39Å; A176-L180 WeakPolarHBondContact O-CG 3.31Å; A176-L180 PolarHBondContact O-N 2.99Å; A176-V211 HydrophobicContact CB-CG1 3.62Å; A176-F226 HydrophobicContact CB-CB 4.08Å; A176-F226 HydrophobicContact CB-CD2 4.12Å; A176-F226 HydrophobicContact CB-CG 4.03Å; A176-D228 WeakPolarHBondContact CB-OD1 3.41Å; A176-D228 PolarHBondContact N-OD1 3.13Å
177V97.7Very high97.8Very high40 Ų4036.1 Ų36.124%0.24219%0.19CC..Hα-helixtrans-67.7-40.5177.9178.20000111.4F8 S175 L179 L180 N181 D228 E231F8-V177 HydrophobicContact CE1-CG1 4.48Å; S175-V177 VanDerWaalsContact C-N 3.28Å; S175-V177 PolarHBondContact O-N 3.35Å; S175-V177 PolarHBondContact OG-N 2.92Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-L180 WeakPolarHBondContact O-CB 3.33Å; V177-L180 PolarHBondContact O-N 2.97Å; V177-N181 PolarHBondContact O-N 3.23Å; V177-N181 PolarHBondContact O-ND2 3.3Å; V177-N181 VanDerWaalsContact O-ND2 3.11Å; V177-D228 WeakPolarHBondContact CG2-OD2 3.25Å; V177-D228 PolarHBondContact N-OD2 2.93Å; V177-E231 HydrophobicContact CG2-CB 3.71Å; V177-E231 HydrophobicContact CG2-CG 3.98Å
178N97.9Very high97.7Very high74 Ų7439.5 Ų39.540%0.39621%0.212SC..Hα-helixtrans-64.5-39.8173.7-74.1-18.2000111.7C172 S175 N181 I182C172-N178 HydrophobicContact CB-CB 4.18Å; C172-N178 WeakPolarHBondContact O-CB 3.4Å; C172-N178 PolarHBondContact O-ND2 2.88Å; S175-N178 WeakPolarHBondContact CB-ND2 3.47Å; S175-N178 PolarHBondContact O-N 2.9Å; S175-N178 PolarHBondContact OG-N 3.44Å; N178-N181 WeakPolarHBondContact O-CB 3.49Å; N178-N181 PolarHBondContact O-N 3.26Å; N178-N181 VanDerWaalsContact O-N 3.15Å; N178-I182 WeakPolarHBondContact O-CG1 3.46Å; N178-I182 PolarHBondContact O-N 2.9Å
179L98.6Very high97.6Very high0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-63.6-42.2176-174.756.3000111.2F165 C168 L169 C172 S175 A176 V177 N181 I182 I183 V211 L214 F226F165-L179 HydrophobicContact CE1-CD1 4.1Å; F165-L179 HydrophobicContact CZ-CD1 3.98Å; C168-L179 HydrophobicContact CB-CD1 4.45Å; L169-L179 HydrophobicContact CD1-CD2 3.78Å; C172-L179 HydrophobicContact CB-CB 3.68Å; C172-L179 HydrophobicContact CB-CD1 4.19Å; C172-L179 HydrophobicContact CB-CG 4.47Å; S175-L179 PolarHBondContact O-N 2.91Å; A176-L179 PolarHBondContact O-N 3.39Å; V177-L179 VanDerWaalsContact C-N 3.34Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 3.32Å; L179-I182 PolarHBondContact O-N 3.37Å; L179-I183 HydrophobicContact CD1-CD1 4.41Å; L179-I183 HydrophobicContact CD1-CG1 4.47Å; L179-I183 HydrophobicContact CG-CD1 3.97Å; L179-I183 WeakPolarHBondContact O-CD1 3.19Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 3.22Å; L179-V211 HydrophobicContact CB-CG2 4.22Å; L179-V211 HydrophobicContact CD2-CB 4.48Å; L179-V211 HydrophobicContact CD2-CG1 4.36Å; L179-V211 HydrophobicContact CD2-CG2 3.87Å; L179-V211 HydrophobicContact CG-CG2 3.94Å; L179-L214 HydrophobicContact CD2-CD1 3.88Å; L179-F226 HydrophobicContact CD2-CE1 4.17Å; L179-F226 HydrophobicContact CD2-CE2 4.42Å; L179-F226 HydrophobicContact CD2-CZ 3.58Å
180L97.7Very high97.6Very high5 Ų540.2 Ų40.23%0.02622%0.217CC..Hα-helixtrans-56.2-45.5170.9-75.3176000111.4A176 V177 I182 I183 L184 A207 Q208 V211 L232A176-L180 WeakPolarHBondContact O-CG 3.31Å; A176-L180 PolarHBondContact O-N 2.99Å; V177-L180 WeakPolarHBondContact O-CB 3.33Å; V177-L180 PolarHBondContact O-N 2.97Å; L180-I182 PolarHBondContact O-N 3.44Å; L180-I183 PolarHBondContact O-N 3.01Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.85Å; L180-A207 HydrophobicContact CD2-CB 3.61Å; L180-Q208 HydrophobicContact CD2-CG 4.39Å; L180-V211 HydrophobicContact CD2-CG2 3.81Å; L180-V211 HydrophobicContact CG-CG2 3.98Å; L180-L232 HydrophobicContact CD1-CD2 3.7Å; L180-L232 HydrophobicContact CG-CD2 4.41Å
181N97Very high97.5Very high59 Ų5936.1 Ų36.132%0.31621%0.205SC..Hα-helixtrans-62.3-41.6177.7-76.2-48.8000112.9V177 N178 L179 I183 L184 T185V177-N181 PolarHBondContact O-N 3.23Å; V177-N181 PolarHBondContact O-ND2 3.3Å; V177-N181 VanDerWaalsContact O-ND2 3.11Å; N178-N181 WeakPolarHBondContact O-CB 3.49Å; N178-N181 PolarHBondContact O-N 3.26Å; N178-N181 VanDerWaalsContact O-N 3.15Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 3.32Å; N181-I183 VanDerWaalsContact C-N 3.35Å; N181-L184 PolarHBondContact O-N 2.88Å; N181-T185 VanDerWaalsContact O-CB 3.29Å; N181-T185 WeakPolarHBondContact O-CB 3.36Å; N181-T185 PolarHBondContact O-N 2.89Å; N181-T185 PolarHBondContact O-OG1 3.3Å
182I98.2Very high97.5Very high26 Ų2631.7 Ų31.713%0.13318%0.184CC..Hα-helixtrans-61.2-46.3173.9-68.1167000109.7C168 Q171 C172 N178 L179 L180 L184 T185 N186C168-I182 HydrophobicContact CB-CG2 4.02Å; Q171-I182 HydrophobicContact CB-CD1 3.95Å; C172-I182 HydrophobicContact CB-CD1 3.94Å; N178-I182 WeakPolarHBondContact O-CG1 3.46Å; N178-I182 PolarHBondContact O-N 2.9Å; L179-I182 PolarHBondContact O-N 3.37Å; L180-I182 PolarHBondContact O-N 3.44Å; I182-L184 PolarHBondContact O-N 3.2Å; I182-T185 PolarHBondContact O-N 2.07Å; I182-N186 WeakPolarHBondContact O-CB 3.43Å; I182-N186 PolarHBondContact O-N 3.41Å; I182-N186 VanDerWaalsContact O-N 3.12Å; I182-N186 PolarHBondContact O-ND2 3.45Å
183I98.5Very high97.5Very high0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-58.7-50.6179.2-69.7160.4000110.6F165 L179 L180 N181 T185 N186 F187 F190 A207 L210 V211F165-I183 HydrophobicContact CE2-CG1 4.22Å; F165-I183 HydrophobicContact CZ-CD1 4.1Å; F165-I183 HydrophobicContact CZ-CG1 3.76Å; L179-I183 HydrophobicContact CD1-CD1 4.41Å; L179-I183 HydrophobicContact CD1-CG1 4.47Å; L179-I183 HydrophobicContact CG-CD1 3.97Å; L179-I183 WeakPolarHBondContact O-CD1 3.19Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 3.22Å; L180-I183 PolarHBondContact O-N 3.01Å; N181-I183 VanDerWaalsContact C-N 3.35Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 2.97Å; I183-N186 PolarHBondContact O-N 2.92Å; I183-F187 WeakPolarHBondContact O-CA 3.36Å; I183-F187 WeakPolarHBondContact O-CB 3.24Å; I183-F187 PolarHBondContact O-N 2.88Å; I183-F190 HydrophobicContact CG2-CB 3.73Å; I183-F190 HydrophobicContact CG2-CD1 4.19Å; I183-F190 HydrophobicContact CG2-CD2 3.85Å; I183-F190 HydrophobicContact CG2-CE2 4.47Å; I183-F190 HydrophobicContact CG2-CG 3.67Å; I183-A207 HydrophobicContact CG2-CB 4.09Å; I183-L210 HydrophobicContact CD1-CD2 3.75Å; I183-L210 HydrophobicContact CD1-CG 4.21Å; I183-L210 HydrophobicContact CG1-CD2 4.22Å; I183-V211 HydrophobicContact CD1-CG2 3.85Å
184L97.1Very high97.6Very high20 Ų2028.4 Ų28.411%0.10517%0.17CC..Hα-helixtrans-70.9-27.3-175.5-62.1172.8000113.4L3 L180 N181 I182 F190 L204L3-L184 HydrophobicContact CD1-CD1 3.71Å; L3-L184 HydrophobicContact CG-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.85Å; N181-L184 PolarHBondContact O-N 2.88Å; I182-L184 PolarHBondContact O-N 3.2Å; L184-F190 HydrophobicContact CD2-CB 4.41Å; L184-L204 HydrophobicContact CD1-CD1 3.63Å; L184-L204 HydrophobicContact CD1-CD2 4.21Å; L184-L204 HydrophobicContact CD2-CD1 4.43Å; L184-L204 HydrophobicContact CD2-CD2 3.73Å
185T96.7Very high97.6Very high72 Ų7232.4 Ų32.444%0.44219%0.19SC..Hα-helixtrans-72.5-38.7176.3-61.90000111.3L2 N181 I182 I183L2-T185 HydrophobicContact CD1-CG2 3.88Å; N181-T185 VanDerWaalsContact O-CB 3.29Å; N181-T185 WeakPolarHBondContact O-CB 3.36Å; N181-T185 PolarHBondContact O-N 2.89Å; N181-T185 PolarHBondContact O-OG1 3.3Å; I182-T185 PolarHBondContact O-N 2.07Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 2.97Å
186N98.3Very high97.6Very high34 Ų3432 Ų3218%0.18219%0.186CC..Hα-helixtrans-105.5-23.9-168.6-63.4-74.9000113.8I156 F161 I182 I183 P188I156-N186 WeakPolarHBondContact CD1-O 3.49Å; I156-N186 HydrophobicContact CG2-CB 4.32Å; F161-N186 HydrophobicContact CE2-CB 3.97Å; F161-N186 HydrophobicContact CZ-CB 4.1Å; I182-N186 WeakPolarHBondContact O-CB 3.43Å; I182-N186 PolarHBondContact O-N 3.41Å; I182-N186 VanDerWaalsContact O-N 3.12Å; I182-N186 PolarHBondContact O-ND2 3.45Å; I183-N186 PolarHBondContact O-N 2.92Å; N186-P188 WeakPolarHBondContact O-CD 3.18Å
187F98.1Very high97.5Very high0 Ų036.8 Ų36.80%021%0.207CC..  trans-125.981.7-175.5-51.1-80.8000110.8F70 C153 I156 L157 F161 F165 I183 S189 F190F70-F187 HydrophobicContact CE2-CD1 4.27Å; F70-F187 HydrophobicContact CE2-CD2 4.43Å; F70-F187 HydrophobicContact CE2-CE1 4.14Å; F70-F187 HydrophobicContact CE2-CE2 4.32Å; F70-F187 HydrophobicContact CE2-CG 4.41Å; F70-F187 HydrophobicContact CE2-CZ 4.17Å; F70-F187 AromaticContact CZ-CD1 3.91Å; F70-F187 HydrophobicContact CZ-CD1 3.91Å; F70-F187 AromaticContact CZ-CE1 3.66Å; F70-F187 HydrophobicContact CZ-CE1 3.66Å; F70-F187 HydrophobicContact CZ-CG 4.49Å; F70-F187 HydrophobicContact CZ-CZ 4.05Å; C153-F187 HydrophobicContact CB-CD1 4Å; C153-F187 HydrophobicContact CB-CE1 4.4Å; I156-F187 HydrophobicContact CB-CD1 4.44Å; I156-F187 HydrophobicContact CB-CE1 3.93Å; I156-F187 HydrophobicContact CD1-CD1 4.36Å; I156-F187 HydrophobicContact CG2-CD1 4.28Å; I156-F187 HydrophobicContact CG2-CE1 3.66Å; I156-F187 HydrophobicContact CG2-CZ 4.03Å; L157-F187 HydrophobicContact CD2-CE1 4.21Å; L157-F187 HydrophobicContact CD2-CZ 3.72Å; L157-F187 HydrophobicContact CG-CE1 4.27Å; L157-F187 HydrophobicContact CG-CZ 4.28Å; F161-F187 HydrophobicContact CD2-CZ 4.27Å; F161-F187 HydrophobicContact CE2-CZ 4.21Å; F165-F187 HydrophobicContact CD2-CE2 4.34Å; F165-F187 HydrophobicContact CD2-CZ 4.4Å; F165-F187 AromaticContact CE2-CE2 3.86Å; F165-F187 HydrophobicContact CE2-CE2 3.86Å; F165-F187 HydrophobicContact CE2-CZ 4.36Å; I183-F187 WeakPolarHBondContact O-CA 3.36Å; I183-F187 WeakPolarHBondContact O-CB 3.24Å; I183-F187 PolarHBondContact O-N 2.88Å; F187-S189 PolarHBondContact O-N 3.16Å; F187-F190 HydrophobicContact CB-CD2 3.57Å; F187-F190 HydrophobicContact CB-CE2 4.03Å; F187-F190 WeakPolarHBondContact O-CB 3.3Å; F187-F190 PolarHBondContact O-N 2.91Å
188P96.1Very high97.5Very high94 Ų9438.3 Ų38.361%0.6123%0.231SC*.G310 helixtrans-56.7-25.2-172.7-27.835.3000115N186 F190 S191N186-P188 WeakPolarHBondContact O-CD 3.18Å; P188-F190 PolarHBondContact O-N 3.26Å; P188-F190 VanDerWaalsContact O-N 3.13Å; P188-S191 WeakPolarHBondContact O-CB 3.37Å; P188-S191 PolarHBondContact O-N 2.9Å
189S97.1Very high97.5Very high13 Ų1339.8 Ų39.89%0.09123%0.234CC..G310 helixtrans-65.3-13.1179.277.80000114.3L149 F187 R206L149-S189 VanDerWaalsContact CD2-CB 3.42Å; F187-S189 PolarHBondContact O-N 3.16Å; S189-R206 PolarHBondContact O-NH1 2.97Å; S189-R206 PolarHBondContact O-NH2 2.78Å; S189-R206 VanDerWaalsContact O-NH2 3.16Å; S189-R206 PolarHBondContact OG-NH2 2.8Å; S189-R206 VanDerWaalsContact OG-NH2 3.13Å
190F98Very high97.4Very high1 Ų144.9 Ų44.90%0.00426%0.256CS..G310 helixtrans-88.5-7.9172.3-75-85.9000113.4F70 V74 I183 L184 F187 P188 D192 R206 A207 L210F70-F190 HydrophobicContact CE2-CE2 4.21Å; F70-F190 HydrophobicContact CE2-CZ 4.48Å; V74-F190 HydrophobicContact CB-CZ 4.47Å; V74-F190 HydrophobicContact CG2-CE2 3.82Å; V74-F190 HydrophobicContact CG2-CZ 3.78Å; I183-F190 HydrophobicContact CG2-CB 3.73Å; I183-F190 HydrophobicContact CG2-CD1 4.19Å; I183-F190 HydrophobicContact CG2-CD2 3.85Å; I183-F190 HydrophobicContact CG2-CE2 4.47Å; I183-F190 HydrophobicContact CG2-CG 3.67Å; L184-F190 HydrophobicContact CD2-CB 4.41Å; F187-F190 HydrophobicContact CB-CD2 3.57Å; F187-F190 HydrophobicContact CB-CE2 4.03Å; F187-F190 WeakPolarHBondContact O-CB 3.3Å; F187-F190 PolarHBondContact O-N 2.91Å; P188-F190 PolarHBondContact O-N 3.26Å; P188-F190 VanDerWaalsContact O-N 3.13Å; F190-D192 VanDerWaalsContact C-N 3.27Å; F190-D192 PolarHBondContact O-N 3.32Å; F190-R206 HydrophobicContact CD1-CB 3.65Å; F190-R206 HydrophobicContact CE1-CB 3.81Å; F190-A207 HydrophobicContact CB-CB 4.2Å; F190-A207 HydrophobicContact CD1-CB 4.04Å; F190-A207 HydrophobicContact CG-CB 4.49Å; F190-L210 HydrophobicContact CE1-CD2 4.29Å; F190-L210 HydrophobicContact CZ-CD2 4.09Å
191S96.3Very high97.5Very high43 Ų4344.6 Ų44.630%0.30125%0.254SS..  trans-76.675.8-178.6-159.90000111.7P188 V193 F336P188-S191 WeakPolarHBondContact O-CB 3.37Å; P188-S191 PolarHBondContact O-N 2.9Å; S191-V193 PolarHBondContact O-N 3.46Å; S191-V193 VanDerWaalsContact O-N 3.14Å; S191-F336 WeakPolarHBondContact O-CZ 3.48Å
192D97.3Very high97.5Very high4 Ų441.8 Ų41.82%0.02124%0.239CC..  trans-81.783.7177-177.56.4000109.8F190 S202 F203 L204 K205 R277 F336F190-D192 VanDerWaalsContact C-N 3.27Å; F190-D192 PolarHBondContact O-N 3.32Å; D192-S202 WeakPolarHBondContact O-CA 3.5Å; D192-S202 WeakPolarHBondContact O-CB 3.34Å; D192-F203 PolarHBondContact O-N 2.99Å; D192-L204 PolarHBondContact O-N 2.99Å; D192-K205 PolarHBondContact OD2-N 3.31Å; D192-R277 IonicContact OD1-CZ 3.57Å; D192-R277 IonicContact OD1-NH1 3.4Å; D192-R277 PolarHBondContact OD1-NH1 3.12Å; D192-R277 IonicContact OD1-NH2 3.69Å; D192-R277 IonicContact OD2-CZ 2.73Å; D192-R277 IonicContact OD2-NH1 3.32Å; D192-R277 PolarHBondContact OD2-NH1 3.4Å; D192-R277 IonicContact OD2-NH2 2.97Å; D192-R277 PolarHBondContact OD2-NH2 3.38Å; D192-F336 HydrophobicContact CB-CB 4.39Å; D192-F336 HydrophobicContact CB-CD1 3.51Å; D192-F336 HydrophobicContact CB-CE1 3.88Å; D192-F336 HydrophobicContact CB-CG 3.96Å
193V97.1Very high97.5Very high49 Ų4940.7 Ų40.730%0.29723%0.234SC..EExtended strand (participates in β ladder)trans-126139.2-171.4176.50000110T6 S191 V201T6-V193 HydrophobicContact CG2-CG1 3.9Å; T6-V193 HydrophobicContact CG2-CG2 4.01Å; S191-V193 PolarHBondContact O-N 3.46Å; S191-V193 VanDerWaalsContact O-N 3.14Å; V193-V201 CarbonylContact C-O 3.6Å; V193-V201 WeakPolarHBondContact CA-O 3.31Å; V193-V201 WeakPolarHBondContact CG1-O 3.37Å
194A97.1Very high97.4Very high12 Ų1240.7 Ų40.710%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-130.6167.1174.100000111.2K200 V201 V274A194-K200 WeakPolarHBondContact O-CA 3.2Å; A194-V201 HydrophobicContact CB-CG2 4.14Å; A194-V201 PolarHBondContact N-O 3.39Å; A194-V201 WeakPolarHBondContact O-CG2 3.31Å; A194-V201 PolarHBondContact O-N 3.14Å; A194-V274 HydrophobicContact CB-CG2 3.75Å
195I97.8Very high97.4Very high118 Ų11840 Ų4061%0.60523%0.23SC*.EExtended strand (participates in β ladder)trans-106.5119.3168.6-62.2173.9000107.6K199 K200I195-K199 CarbonylContact C-O 3.47Å; I195-K199 WeakPolarHBondContact CA-O 3.37Å; I195-K200 HydrophobicContact CG1-CG 4.29Å
196Y98.3Very high97.4Very high7 Ų736.8 Ų36.83%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-124.8123.2177.9-172.2-110.7000109.8F15 I16 N19 G198 K199 V274 E275F15-Y196 HydrophobicContact CD1-CD1 4.31Å; F15-Y196 AromaticContact CE1-CD1 3.94Å; F15-Y196 HydrophobicContact CE1-CD1 3.94Å; F15-Y196 WeakPolarHBondContact CE1-O 3.39Å; I16-Y196 HydrophobicContact CB-CD1 4.36Å; I16-Y196 HydrophobicContact CB-CE1 4.36Å; I16-Y196 HydrophobicContact CG1-CD1 3.8Å; I16-Y196 HydrophobicContact CG1-CE1 4.29Å; I16-Y196 HydrophobicContact CG1-CG 4.27Å; I16-Y196 HydrophobicContact CG2-CD1 4.48Å; I16-Y196 HydrophobicContact CG2-CE1 4.19Å; N19-Y196 HydrophobicContact CB-CE1 4.12Å; N19-Y196 PolarHBondContact O-OH 2.98Å; N19-Y196 VanDerWaalsContact O-OH 3.1Å; Y196-G198 PolarHBondContact O-N 2.92Å; Y196-K199 PolarHBondContact N-O 2.97Å; Y196-K199 PolarHBondContact O-N 3.19Å; Y196-V274 HydrophobicContact CD2-CB 4.26Å; Y196-V274 HydrophobicContact CD2-CG1 3.6Å; Y196-V274 HydrophobicContact CE2-CG1 4.36Å; Y196-V274 HydrophobicContact CG-CG1 3.75Å; Y196-E275 HydrophobicContact CE2-CG 3.76Å; Y196-E275 VanDerWaalsContact OH-CG 3.3Å; Y196-E275 WeakPolarHBondContact OH-CG 3.39Å; Y196-E275 PolarHBondContact OH-OE1 3.35Å
197K97.6Very high97.4Very high101 Ų10135.2 Ų35.244%0.43920%0.201SC..THydrogen-bonded Turntrans4445.6-179.3-65.6-174.3171.8-166.60113.1F15 N19 E21 K199F15-K197 HydrophobicContact CZ-CB 4.34Å; N19-K197 HydrophobicContact CB-CD 3.83Å; N19-K197 WeakPolarHBondContact O-CE 3.21Å; N19-K197 PolarHBondContact O-NZ 3.17Å; E21-K197 WeakPolarHBondContact OE1-CE 3.3Å; E21-K197 IonicContact OE1-NZ 2.65Å; E21-K197 PolarHBondContact OE1-NZ 3.16Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 3.09Å
198G96.6Very high97.4Very high73 Ų7335.3 Ų35.375%0.75320%0.201SC*.THydrogen-bonded Turntrans80.9-4177.800000116.3Y196Y196-G198 PolarHBondContact O-N 2.92Å
199K97.5Very high97.4Very high104 Ų10431.7 Ų31.745%0.45218%0.177SC..EExtended strand (participates in β ladder)trans-106.2144.8177-62.7-166-171.2170.80112F15 I195 Y196 K197 V201F15-K199 HydrophobicContact CD1-CB 4.31Å; F15-K199 HydrophobicContact CD1-CD 4.12Å; F15-K199 HydrophobicContact CD2-CD 3.91Å; F15-K199 HydrophobicContact CE1-CB 3.75Å; F15-K199 HydrophobicContact CE1-CD 3.77Å; F15-K199 HydrophobicContact CE1-CG 3.92Å; F15-K199 HydrophobicContact CE2-CD 3.55Å; F15-K199 VanDerWaalsContact CE2-CE 3.42Å; F15-K199 HydrophobicContact CE2-CG 4.32Å; F15-K199 HydrophobicContact CG-CD 4.19Å; F15-K199 HydrophobicContact CZ-CB 4.11Å; F15-K199 HydrophobicContact CZ-CD 3.47Å; F15-K199 VanDerWaalsContact CZ-CD 3.47Å; F15-K199 HydrophobicContact CZ-CG 3.74Å; I195-K199 CarbonylContact C-O 3.47Å; I195-K199 WeakPolarHBondContact CA-O 3.37Å; Y196-K199 PolarHBondContact N-O 2.97Å; Y196-K199 PolarHBondContact O-N 3.19Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 3.09Å; K199-V201 PolarHBondContact O-N 3.31Å
200K97.8Very high97.4Very high107 Ų10731 Ų3147%0.46517%0.172SC..EExtended strand (participates in β ladder)trans-78.9116.3170-71.6-176.3178.8-178.40109.3T6 L7 A194 I195T6-K200 WeakPolarHBondContact CA-O 3.33Å; T6-K200 HydrophobicContact CG2-CB 4.17Å; L7-K200 PolarHBondContact N-O 3.46Å; A194-K200 WeakPolarHBondContact O-CA 3.2Å; I195-K200 HydrophobicContact CG1-CG 4.29Å
201V98.2Very high97.4Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-114.5155178.5-68.70000109.5L7 S12 F15 I16 V193 A194 K199 V274L7-V201 HydrophobicContact CD1-CG1 4.4Å; S12-V201 WeakPolarHBondContact OG-CA 3.49Å; F15-V201 HydrophobicContact CD1-CG1 3.92Å; I16-V201 HydrophobicContact CD1-CB 4.13Å; I16-V201 HydrophobicContact CD1-CG1 4.25Å; I16-V201 HydrophobicContact CD1-CG2 4.08Å; I16-V201 HydrophobicContact CG1-CG1 4.2Å; V193-V201 CarbonylContact C-O 3.6Å; V193-V201 WeakPolarHBondContact CA-O 3.31Å; V193-V201 WeakPolarHBondContact CG1-O 3.37Å; A194-V201 HydrophobicContact CB-CG2 4.14Å; A194-V201 PolarHBondContact N-O 3.39Å; A194-V201 WeakPolarHBondContact O-CG2 3.31Å; A194-V201 PolarHBondContact O-N 3.14Å; K199-V201 PolarHBondContact O-N 3.31Å; V201-V274 HydrophobicContact CG2-CG1 4.3Å
202S97.4Very high97.4Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-136.1152.6178.170.90000112.3L7 P9 S12 D192L7-S202 WeakPolarHBondContact O-CB 3.41Å; L7-S202 PolarHBondContact O-N 2.86Å; L7-S202 PolarHBondContact O-OG 3.42Å; P9-S202 WeakPolarHBondContact CA-O 3.14Å; S12-S202 VanDerWaalsContact CB-O 3.3Å; S12-S202 WeakPolarHBondContact CB-O 3.25Å; S12-S202 PolarHBondContact OG-N 3.26Å; S12-S202 PolarHBondContact OG-O 3.47Å; D192-S202 WeakPolarHBondContact O-CA 3.5Å; D192-S202 WeakPolarHBondContact O-CB 3.34Å
203F97.6Very high97.3Very high3 Ų329.9 Ų29.91%0.01316%0.163CC..  trans-116.8-29.6174.5-54.9-72.1000111.4I16 D192 K205 Q208 V274 R277 I281I16-F203 HydrophobicContact CD1-CE1 3.8Å; I16-F203 HydrophobicContact CD1-CZ 3.83Å; D192-F203 PolarHBondContact O-N 2.99Å; F203-K205 PolarHBondContact O-N 3.49Å; F203-Q208 PolarHBondContact O-NE2 2.95Å; F203-V274 HydrophobicContact CE2-CG2 4.3Å; F203-V274 HydrophobicContact CZ-CB 4.26Å; F203-V274 HydrophobicContact CZ-CG1 3.93Å; F203-V274 HydrophobicContact CZ-CG2 4.39Å; F203-R277 VanDerWaalsContact CB-NH2 3.34Å; F203-R277 HydrophobicContact CD1-CB 3.66Å; F203-R277 VanDerWaalsContact CD2-CZ 3.49Å; F203-R277 HydrophobicContact CE1-CB 3.33Å; F203-R277 HydrophobicContact CE1-CG 4.5Å; F203-R277 HydrophobicContact CE2-CB 4.28Å; F203-R277 HydrophobicContact CG-CB 4.28Å; F203-R277 HydrophobicContact CZ-CB 3.64Å; F203-I281 HydrophobicContact CB-CD1 4.49Å; F203-I281 HydrophobicContact CD1-CD1 3.71Å
204L97.1Very high97.2Very high0 Ų027.6 Ų27.60%015%0.149CC..  trans49.131.6174.3-52.6-174.3000113.7P9 L184 D192 R206 A207 Q208P9-L204 HydrophobicContact CG-CB 4.02Å; P9-L204 HydrophobicContact CG-CD1 4Å; P9-L204 HydrophobicContact CG-CG 4Å; L184-L204 HydrophobicContact CD1-CD1 3.63Å; L184-L204 HydrophobicContact CD1-CD2 4.21Å; L184-L204 HydrophobicContact CD2-CD1 4.43Å; L184-L204 HydrophobicContact CD2-CD2 3.73Å; D192-L204 PolarHBondContact O-N 2.99Å; L204-R206 PolarHBondContact O-N 3.25Å; L204-A207 HydrophobicContact CB-CB 4.26Å; L204-A207 WeakPolarHBondContact O-CA 3.38Å; L204-A207 WeakPolarHBondContact O-CB 3.41Å; L204-A207 PolarHBondContact O-N 3Å; L204-Q208 HydrophobicContact CB-CG 4.22Å; L204-Q208 WeakPolarHBondContact O-CG 3.33Å; L204-Q208 PolarHBondContact O-N 2.81Å
205K97Very high97.2Very high6 Ų628.3 Ų28.33%0.02615%0.15CC..Hα-helixtrans-53.8-51.2-164.9169.6-94-146.7157.70112.8N76 D192 F203 A207 Q208 I209 F235 D237 F336 Y337N76-K205 PolarHBondContact O-NZ 3.04Å; D192-K205 PolarHBondContact OD2-N 3.31Å; F203-K205 PolarHBondContact O-N 3.49Å; K205-A207 VanDerWaalsContact C-N 3.32Å; K205-A207 PolarHBondContact O-N 3.34Å; K205-Q208 PolarHBondContact O-N 3.14Å; K205-I209 HydrophobicContact CD-CD1 3.83Å; K205-I209 HydrophobicContact CG-CD1 4.17Å; K205-I209 VanDerWaalsContact O-CG1 3.29Å; K205-I209 WeakPolarHBondContact O-CG1 3.24Å; K205-I209 PolarHBondContact O-N 3.44Å; K205-F235 HydrophobicContact CG-CB 4.15Å; K205-D237 WeakPolarHBondContact CE-OD1 3.39Å; K205-D237 IonicContact NZ-OD1 3.96Å; K205-D237 PolarHBondContact NZ-OD1 3.14Å; K205-F336 WeakPolarHBondContact CD-O 3.35Å; K205-F336 PolarHBondContact NZ-O 2.7Å; K205-Y337 PolarHBondContact NZ-OXT 3.34Å; K205-Y337 VanDerWaalsContact NZ-OXT 3.07Å
206R97.3Very high96.9Very high4 Ų423.4 Ų23.42%0.01512%0.124CC..Hα-helixtrans-66.2-31.9178-81.3170.440.8-140.9-18.6113.2S73 V74 S189 F190 L204 L210 I335S73-R206 PolarHBondContact O-NE 3.13Å; V74-R206 PolarHBondContact O-NH2 3.41Å; S189-R206 PolarHBondContact O-NH1 2.97Å; S189-R206 PolarHBondContact O-NH2 2.78Å; S189-R206 VanDerWaalsContact O-NH2 3.16Å; S189-R206 PolarHBondContact OG-NH2 2.8Å; S189-R206 VanDerWaalsContact OG-NH2 3.13Å; F190-R206 HydrophobicContact CD1-CB 3.65Å; F190-R206 HydrophobicContact CE1-CB 3.81Å; L204-R206 PolarHBondContact O-N 3.25Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 3.15Å; R206-I335 WeakPolarHBondContact CD-O 3.26Å; R206-I335 PolarHBondContact NH1-O 3.21Å
207A98Very high96.7Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-73.4-43.3179.300000110.3L180 I183 F190 L204 K205 L210 V211L180-A207 HydrophobicContact CD2-CB 3.61Å; I183-A207 HydrophobicContact CG2-CB 4.09Å; F190-A207 HydrophobicContact CB-CB 4.2Å; F190-A207 HydrophobicContact CD1-CB 4.04Å; F190-A207 HydrophobicContact CG-CB 4.49Å; L204-A207 HydrophobicContact CB-CB 4.26Å; L204-A207 WeakPolarHBondContact O-CA 3.38Å; L204-A207 WeakPolarHBondContact O-CB 3.41Å; L204-A207 PolarHBondContact O-N 3Å; K205-A207 VanDerWaalsContact C-N 3.32Å; K205-A207 PolarHBondContact O-N 3.34Å; A207-L210 WeakPolarHBondContact O-CB 3.39Å; A207-L210 PolarHBondContact O-N 3.21Å; A207-V211 WeakPolarHBondContact O-CG2 3.5Å; A207-V211 PolarHBondContact O-N 3.35Å
208Q97.7Very high96.5Very high2 Ų219.7 Ų19.71%0.00911%0.11CC..Hα-helixtrans-63-42.9175.1-62.8-166.992.400111.4P9 L180 F203 L204 K205 L210 V211 A212 L232 T233 F235P9-Q208 HydrophobicContact CG-CG 4.49Å; L180-Q208 HydrophobicContact CD2-CG 4.39Å; F203-Q208 PolarHBondContact O-NE2 2.95Å; L204-Q208 HydrophobicContact CB-CG 4.22Å; L204-Q208 WeakPolarHBondContact O-CG 3.33Å; L204-Q208 PolarHBondContact O-N 2.81Å; K205-Q208 PolarHBondContact O-N 3.14Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 3.2Å; Q208-V211 PolarHBondContact O-N 3.12Å; Q208-A212 WeakPolarHBondContact O-CB 3.4Å; Q208-A212 PolarHBondContact O-N 3.13Å; Q208-L232 HydrophobicContact CB-CD2 4.45Å; Q208-L232 HydrophobicContact CG-CD2 4.3Å; Q208-T233 PolarHBondContact NE2-OG1 3.23Å; Q208-T233 PolarHBondContact OE1-OG1 3.05Å; Q208-F235 HydrophobicContact CB-CD1 3.72Å; Q208-F235 HydrophobicContact CB-CE1 3.58Å
209I96.1Very high96.3Very high18 Ų1822.4 Ų22.49%0.09210%0.101CC..Hα-helixtrans-57-47.7172.6-72.8171.3000110.8K205 V211 A212 D213 F235K205-I209 HydrophobicContact CD-CD1 3.83Å; K205-I209 HydrophobicContact CG-CD1 4.17Å; K205-I209 VanDerWaalsContact O-CG1 3.29Å; K205-I209 WeakPolarHBondContact O-CG1 3.24Å; K205-I209 PolarHBondContact O-N 3.44Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 3.39Å; I209-A212 PolarHBondContact O-N 3.39Å; I209-D213 WeakPolarHBondContact CG2-OD2 3.38Å; I209-D213 WeakPolarHBondContact O-CB 3.44Å; I209-D213 PolarHBondContact O-N 3.45Å; I209-F235 HydrophobicContact CD1-CB 4.14Å; I209-F235 HydrophobicContact CD1-CD2 4.2Å; I209-F235 HydrophobicContact CD1-CG 4.26Å; I209-F235 HydrophobicContact CG1-CB 3.96Å; I209-F235 HydrophobicContact CG1-CD1 4.13Å; I209-F235 HydrophobicContact CG1-CD2 3.4Å; I209-F235 HydrophobicContact CG1-CE2 3.85Å; I209-F235 HydrophobicContact CG1-CG 3.55Å; I209-F235 HydrophobicContact CG1-CZ 4.4Å
210L97.7Very high96.1Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-57.6-47.7179.2175.854.3000111.9C69 F70 S73 F165 I183 F190 R206 A207 Q208 D213 L214C69-L210 HydrophobicContact CB-CD1 4.22Å; F70-L210 HydrophobicContact CB-CD1 4.32Å; F70-L210 HydrophobicContact CD2-CD2 3.79Å; F70-L210 HydrophobicContact CE2-CD2 4.45Å; S73-L210 WeakPolarHBondContact OG-CA 3.38Å; S73-L210 WeakPolarHBondContact OG-CB 3.49Å; F165-L210 HydrophobicContact CE1-CD1 4.48Å; F165-L210 HydrophobicContact CE1-CD2 4.09Å; F165-L210 HydrophobicContact CE1-CG 4.38Å; F165-L210 HydrophobicContact CE2-CD2 4.15Å; F165-L210 HydrophobicContact CZ-CD2 3.72Å; F165-L210 HydrophobicContact CZ-CG 4.43Å; I183-L210 HydrophobicContact CD1-CD2 3.75Å; I183-L210 HydrophobicContact CD1-CG 4.21Å; I183-L210 HydrophobicContact CG1-CD2 4.22Å; F190-L210 HydrophobicContact CE1-CD2 4.29Å; F190-L210 HydrophobicContact CZ-CD2 4.09Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 3.15Å; A207-L210 WeakPolarHBondContact O-CB 3.39Å; A207-L210 PolarHBondContact O-N 3.21Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 3.2Å; L210-D213 PolarHBondContact O-N 2.86Å; L210-L214 HydrophobicContact CD1-CD1 3.73Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 WeakPolarHBondContact O-CD1 3.39Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.95Å
211V97.9Very high95.9Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-62.6-44.9178.8178.10000111.1A176 L179 L180 I183 A207 Q208 I209 L214 F215 F226 L232A176-V211 HydrophobicContact CB-CG1 3.62Å; L179-V211 HydrophobicContact CB-CG2 4.22Å; L179-V211 HydrophobicContact CD2-CB 4.48Å; L179-V211 HydrophobicContact CD2-CG1 4.36Å; L179-V211 HydrophobicContact CD2-CG2 3.87Å; L179-V211 HydrophobicContact CG-CG2 3.94Å; L180-V211 HydrophobicContact CD2-CG2 3.81Å; L180-V211 HydrophobicContact CG-CG2 3.98Å; I183-V211 HydrophobicContact CD1-CG2 3.85Å; A207-V211 WeakPolarHBondContact O-CG2 3.5Å; A207-V211 PolarHBondContact O-N 3.35Å; Q208-V211 PolarHBondContact O-N 3.12Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 3.39Å; V211-L214 PolarHBondContact O-N 3.42Å; V211-F215 PolarHBondContact O-N 2.91Å; V211-F215 VanDerWaalsContact O-N 3.09Å; V211-F226 HydrophobicContact CG1-CD2 4.02Å; V211-F226 HydrophobicContact CG1-CE2 3.63Å; V211-F226 HydrophobicContact CG1-CZ 4.24Å; V211-F226 WeakPolarHBondContact O-CE2 3.47Å; V211-L232 HydrophobicContact CB-CD1 4.17Å; V211-L232 HydrophobicContact CG1-CD1 4.05Å; V211-L232 HydrophobicContact CG1-CD2 4.46Å
212A95.6Very high95.8Very high1 Ų125.4 Ų25.41%0.00812%0.124CC..Hα-helixtrans-63.2-46.5177.400000112.4Q208 I209 L214 F215 Y216 L232 F235Q208-A212 WeakPolarHBondContact O-CB 3.4Å; Q208-A212 PolarHBondContact O-N 3.13Å; I209-A212 PolarHBondContact O-N 3.39Å; A212-L214 VanDerWaalsContact C-N 3.28Å; A212-L214 PolarHBondContact O-N 3Å; A212-F215 WeakPolarHBondContact O-CB 3.26Å; A212-F215 PolarHBondContact O-N 3.04Å; A212-F215 VanDerWaalsContact O-N 3.17Å; A212-Y216 HydrophobicContact CB-CD2 4.34Å; A212-Y216 HydrophobicContact CB-CE2 4.1Å; A212-Y216 WeakPolarHBondContact O-CD2 3.36Å; A212-Y216 PolarHBondContact O-N 2.91Å; A212-L232 HydrophobicContact CB-CD1 4.06Å; A212-F235 HydrophobicContact CB-CE2 4.25Å; A212-F235 HydrophobicContact CB-CZ 3.6Å
213D95.2Very high95.7Very high23 Ų2326.7 Ų26.712%0.12313%0.132CC..Hα-helixtrans-60.5-38.2179.1-78.7-12.1000111.5C69 I209 L210 C217C69-D213 HydrophobicContact CB-CB 4.23Å; I209-D213 WeakPolarHBondContact CG2-OD2 3.38Å; I209-D213 WeakPolarHBondContact O-CB 3.44Å; I209-D213 PolarHBondContact O-N 3.45Å; L210-D213 PolarHBondContact O-N 2.86Å; D213-C217 WeakPolarHBondContact O-CB 3.33Å; D213-C217 PolarHBondContact O-N 3.5Å; D213-C217 PolarHBondContact O-SG 3.13Å
214L96.5Very high95.7Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-66.8-42.4175.5-69.4166.2000112.3V66 C69 F165 L169 L179 L210 V211 A212 L218V66-L214 HydrophobicContact CB-CD2 4Å; V66-L214 HydrophobicContact CG1-CD2 3.78Å; V66-L214 HydrophobicContact CG2-CD2 3.9Å; C69-L214 HydrophobicContact CB-CD2 3.84Å; C69-L214 HydrophobicContact CB-CG 4.24Å; F165-L214 HydrophobicContact CD1-CD1 4.01Å; F165-L214 HydrophobicContact CE1-CD1 3.53Å; L169-L214 HydrophobicContact CD1-CD1 4.48Å; L169-L214 HydrophobicContact CD2-CD2 4.35Å; L179-L214 HydrophobicContact CD2-CD1 3.88Å; L210-L214 HydrophobicContact CD1-CD1 3.73Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 WeakPolarHBondContact O-CD1 3.39Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.95Å; V211-L214 PolarHBondContact O-N 3.42Å; A212-L214 VanDerWaalsContact C-N 3.28Å; A212-L214 PolarHBondContact O-N 3Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 2.67Å
215F95.6Very high95.6Very high27 Ų2727.7 Ų27.712%0.11814%0.141CC..Hα-helixtrans-59.3-51.3174.9-177.8-95.6000110.8V211 A212 L218 K219 G220 A224 F226 I229V211-F215 PolarHBondContact O-N 2.91Å; V211-F215 VanDerWaalsContact O-N 3.09Å; A212-F215 WeakPolarHBondContact O-CB 3.26Å; A212-F215 PolarHBondContact O-N 3.04Å; A212-F215 VanDerWaalsContact O-N 3.17Å; F215-L218 CarbonylContact O-C 3.42Å; F215-L218 PolarHBondContact O-N 3.03Å; F215-K219 PolarHBondContact O-N 3.25Å; F215-G220 PolarHBondContact O-N 3.04Å; F215-A224 WeakPolarHBondContact CD2-O 3.46Å; F215-F226 HydrophobicContact CB-CD2 3.84Å; F215-F226 HydrophobicContact CB-CE2 3.93Å; F215-F226 HydrophobicContact CD2-CB 4.15Å; F215-F226 AromaticContact CD2-CD2 3.69Å; F215-F226 HydrophobicContact CD2-CD2 3.69Å; F215-F226 HydrophobicContact CD2-CE2 4.47Å; F215-F226 HydrophobicContact CD2-CG 4.24Å; F215-F226 HydrophobicContact CE2-CB 4.49Å; F215-F226 HydrophobicContact CG-CD2 4.2Å; F215-I229 HydrophobicContact CB-CD1 4.13Å; F215-I229 HydrophobicContact CD1-CG1 4.17Å; F215-I229 HydrophobicContact CD2-CB 4.42Å; F215-I229 HydrophobicContact CD2-CD1 4.44Å; F215-I229 HydrophobicContact CD2-CG1 4.24Å; F215-I229 HydrophobicContact CE1-CG1 4.42Å; F215-I229 HydrophobicContact CE2-CB 4.38Å; F215-I229 HydrophobicContact CE2-CG1 4.49Å; F215-I229 HydrophobicContact CE2-CG2 4.35Å; F215-I229 HydrophobicContact CG-CD1 4.13Å; F215-I229 HydrophobicContact CG-CG1 4.08Å; F215-I229 HydrophobicContact CZ-CG2 4.27Å
216Y92.8Very high95.7Very high15 Ų1527.9 Ų27.96%0.05914%0.142CC..Hα-helixtrans-74.4-37.3-175.3-64.4-58.3000113.6Q48 A212 L218 K219 N304 V307Q48-Y216 WeakPolarHBondContact O-CD1 3.47Å; A212-Y216 HydrophobicContact CB-CD2 4.34Å; A212-Y216 HydrophobicContact CB-CE2 4.1Å; A212-Y216 WeakPolarHBondContact O-CD2 3.36Å; A212-Y216 PolarHBondContact O-N 2.91Å; Y216-L218 PolarHBondContact O-N 3.49Å; Y216-K219 PolarHBondContact O-N 3.43Å; Y216-K219 VanDerWaalsContact O-N 3.1Å; Y216-N304 VanDerWaalsContact OH-CG 3.3Å; Y216-N304 PolarHBondContact OH-ND2 2.97Å; Y216-N304 PolarHBondContact OH-OD1 3.42Å; Y216-V307 HydrophobicContact CE1-CG2 4.36Å; Y216-V307 WeakPolarHBondContact OH-CG2 3.31Å
217C93.1Very high95.7Very high9 Ų934.6 Ų34.66%0.06118%0.178CC..Hα-helixtrans-66.9-27.717880.70000112.2W51 C69 D213W51-C217 HydrophobicContact CD2-CB 3.45Å; W51-C217 VanDerWaalsContact CD2-CB 3.45Å; W51-C217 HydrophobicContact CE3-CB 3.49Å; W51-C217 VanDerWaalsContact CE3-CB 3.49Å; W51-C217 HydrophobicContact CG-CB 4.02Å; W51-C217 HydrophobicContact CH2-CB 4.05Å; W51-C217 HydrophobicContact CZ2-CB 3.98Å; W51-C217 HydrophobicContact CZ3-CB 3.81Å; C69-C217 VanDerWaalsContact SG-SG 3.67Å; D213-C217 WeakPolarHBondContact O-CB 3.33Å; D213-C217 PolarHBondContact O-N 3.5Å; D213-C217 PolarHBondContact O-SG 3.13Å
218L94Very high95.6Very high22 Ų2236.3 Ų36.312%0.11519%0.187CC..THydrogen-bonded Turntrans-98.610.5173.9-62173.9000113.2V66 L169 L214 F215 Y216 G220 E221 A224V66-L218 HydrophobicContact CG2-CD1 3.9Å; L169-L218 HydrophobicContact CD2-CD1 3.81Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 2.67Å; F215-L218 CarbonylContact O-C 3.42Å; F215-L218 PolarHBondContact O-N 3.03Å; Y216-L218 PolarHBondContact O-N 3.49Å; L218-G220 PolarHBondContact O-N 3.02Å; L218-G220 VanDerWaalsContact O-N 3.13Å; L218-E221 WeakPolarHBondContact O-CB 3.25Å; L218-E221 PolarHBondContact O-N 3.25Å; L218-A224 HydrophobicContact CB-CB 4.17Å; L218-A224 HydrophobicContact CD1-CB 3.65Å; L218-A224 HydrophobicContact CG-CB 4.49Å
219K92.3Very high95.5Very high129 Ų12936.9 Ų36.956%0.56119%0.19SC*.THydrogen-bonded Turntrans56.626.6176.5-54173.9-177173.40114.8L52 F215 Y216 E221L52-K219 HydrophobicContact CD1-CD 4.16Å; L52-K219 HydrophobicContact CD1-CG 3.74Å; F215-K219 PolarHBondContact O-N 3.25Å; Y216-K219 PolarHBondContact O-N 3.43Å; Y216-K219 VanDerWaalsContact O-N 3.1Å; K219-E221 PolarHBondContact O-N 3.21Å
220G92.8Very high95.5Very high21 Ų2139.5 Ų39.522%0.21620%0.204CC..THydrogen-bonded Turntrans68.519-175.200000113.9F215 L218 A225F215-G220 PolarHBondContact O-N 3.04Å; L218-G220 PolarHBondContact O-N 3.02Å; L218-G220 VanDerWaalsContact O-N 3.13Å; G220-A225 WeakPolarHBondContact O-CA 3.47Å; G220-A225 WeakPolarHBondContact O-CB 3.41Å
221E94.8Very high95.4Very high127 Ų12744.7 Ų44.759%0.59323%0.229SC*.  trans-93.4165.9174.4-60.2178-173.700111.2L218 K219 A224 A225L218-E221 WeakPolarHBondContact O-CB 3.25Å; L218-E221 PolarHBondContact O-N 3.25Å; K219-E221 PolarHBondContact O-N 3.21Å; E221-A224 CarbonylContact O-C 3.28Å; E221-A224 VanDerWaalsContact O-C 3.28Å; E221-A224 WeakPolarHBondContact O-CA 3.36Å; E221-A224 PolarHBondContact O-N 2.98Å; E221-A225 PolarHBondContact O-N 2.9Å
222E95.6Very high95.3Very high127 Ų12744.8 Ų44.859%0.59323%0.229SC*.THydrogen-bonded Turntrans-53.9138.6176.2-68.1-67164.300112N174N174-E222 VanDerWaalsContact ND2-CD 3.31Å; N174-E222 PolarHBondContact ND2-OE1 3.11Å; N174-E222 PolarHBondContact ND2-OE2 3.42Å; N174-E222 PolarHBondContact OD1-OE2 3.46Å
223P95.6Very high95.3Very high26 Ų2645 Ų4517%0.16923%0.231CC..THydrogen-bonded Turncis-93.422.93.235.9-34.6000114.6L166 L169 K170L166-P223 HydrophobicContact CD1-CG 3.64Å; L169-P223 WeakPolarHBondContact CD1-O 3.34Å; L169-P223 HydrophobicContact CD2-CG 3.77Å; L169-P223 HydrophobicContact CG-CB 4.28Å; L169-P223 HydrophobicContact CG-CG 3.94Å; L169-P223 WeakPolarHBondContact CG-O 3.48Å; K170-P223 HydrophobicContact CG-CB 4.03Å; K170-P223 HydrophobicContact CG-CG 4.3Å
224A96.4Very high95.2Very high0 Ų044.9 Ų44.90%023%0.23CC..  trans-114.830.3177.500000112.4L169 F215 L218 E221 F226L169-A224 HydrophobicContact CD1-CB 4.12Å; L169-A224 HydrophobicContact CD2-CB 4.31Å; F215-A224 WeakPolarHBondContact CD2-O 3.46Å; L218-A224 HydrophobicContact CB-CB 4.17Å; L218-A224 HydrophobicContact CD1-CB 3.65Å; L218-A224 HydrophobicContact CG-CB 4.49Å; E221-A224 CarbonylContact O-C 3.28Å; E221-A224 VanDerWaalsContact O-C 3.28Å; E221-A224 WeakPolarHBondContact O-CA 3.36Å; E221-A224 PolarHBondContact O-N 2.98Å; A224-F226 HydrophobicContact CB-CE1 4.29Å; A224-F226 HydrophobicContact CB-CE2 4.09Å; A224-F226 HydrophobicContact CB-CZ 3.87Å; A224-F226 PolarHBondContact O-N 3.31Å
225A96.6Very high95.1Very high25 Ų2545.8 Ų45.821%0.20723%0.233CC..  trans-76.958.917700000111.3N174 G220 E221 N227N174-A225 WeakPolarHBondContact CB-O 3.4Å; G220-A225 WeakPolarHBondContact O-CA 3.47Å; G220-A225 WeakPolarHBondContact O-CB 3.41Å; E221-A225 PolarHBondContact O-N 2.9Å; A225-N227 PolarHBondContact O-N 3.48Å
226F97.7Very high94.8Very high10 Ų1044.5 Ų44.54%0.04423%0.228CC..  trans-65.1125.2-171.7-55.7-41.7000112.3L169 N174 A176 L179 V211 F215 A224 D228 I229L169-F226 HydrophobicContact CD1-CE1 3.76Å; L169-F226 HydrophobicContact CD1-CZ 3.53Å; N174-F226 WeakPolarHBondContact O-CA 3.32Å; A176-F226 HydrophobicContact CB-CB 4.08Å; A176-F226 HydrophobicContact CB-CD2 4.12Å; A176-F226 HydrophobicContact CB-CG 4.03Å; L179-F226 HydrophobicContact CD2-CE1 4.17Å; L179-F226 HydrophobicContact CD2-CE2 4.42Å; L179-F226 HydrophobicContact CD2-CZ 3.58Å; V211-F226 HydrophobicContact CG1-CD2 4.02Å; V211-F226 HydrophobicContact CG1-CE2 3.63Å; V211-F226 HydrophobicContact CG1-CZ 4.24Å; V211-F226 WeakPolarHBondContact O-CE2 3.47Å; F215-F226 HydrophobicContact CB-CD2 3.84Å; F215-F226 HydrophobicContact CB-CE2 3.93Å; F215-F226 HydrophobicContact CD2-CB 4.15Å; F215-F226 AromaticContact CD2-CD2 3.69Å; F215-F226 HydrophobicContact CD2-CD2 3.69Å; F215-F226 HydrophobicContact CD2-CE2 4.47Å; F215-F226 HydrophobicContact CD2-CG 4.24Å; F215-F226 HydrophobicContact CE2-CB 4.49Å; F215-F226 HydrophobicContact CG-CD2 4.2Å; A224-F226 HydrophobicContact CB-CE1 4.29Å; A224-F226 HydrophobicContact CB-CE2 4.09Å; A224-F226 HydrophobicContact CB-CZ 3.87Å; A224-F226 PolarHBondContact O-N 3.31Å; F226-D228 VanDerWaalsContact C-N 3.29Å; F226-D228 PolarHBondContact O-N 3.05Å; F226-I229 HydrophobicContact CB-CB 4.26Å; F226-I229 HydrophobicContact CD2-CD1 4.18Å
227N96.9Very high94.7Very high144 Ų14444.6 Ų44.677%0.7723%0.229SC*.THydrogen-bonded Turntrans-80.3-11.6179.5-60.3-66.9000113.6N174 A225N174-N227 PolarHBondContact O-N 2.62Å; N174-N227 PolarHBondContact O-ND2 3.29Å; A225-N227 PolarHBondContact O-N 3.48Å
228D97.5Very high94.8Very high36 Ų3645.2 Ų45.219%0.19323%0.231CC..THydrogen-bonded Turntrans-131.527.4-170.461.1-12.1000111.5S175 A176 V177 F226 D230 E231S175-D228 VanDerWaalsContact CA-OD1 3.25Å; S175-D228 WeakPolarHBondContact CA-OD1 3.49Å; S175-D228 WeakPolarHBondContact CB-OD2 3.23Å; S175-D228 PolarHBondContact OG-OD2 2.98Å; A176-D228 WeakPolarHBondContact CB-OD1 3.41Å; A176-D228 PolarHBondContact N-OD1 3.13Å; V177-D228 WeakPolarHBondContact CG2-OD2 3.25Å; V177-D228 PolarHBondContact N-OD2 2.93Å; F226-D228 VanDerWaalsContact C-N 3.29Å; F226-D228 PolarHBondContact O-N 3.05Å; D228-D230 PolarHBondContact O-N 2.71Å; D228-D230 VanDerWaalsContact O-N 3.15Å; D228-E231 HydrophobicContact CB-CG 3.99Å; D228-E231 VanDerWaalsContact O-CB 3.26Å; D228-E231 WeakPolarHBondContact O-CB 3.39Å; D228-E231 PolarHBondContact O-N 3.48Å
229I95.6Very high94.8Very high14 Ų1445.4 Ų45.47%0.07223%0.23CC..G310 helixtrans-57.5-28.7178.8-172.157.5000112.8F215 F226 E231 L232F215-I229 HydrophobicContact CB-CD1 4.13Å; F215-I229 HydrophobicContact CD1-CG1 4.17Å; F215-I229 HydrophobicContact CD2-CB 4.42Å; F215-I229 HydrophobicContact CD2-CD1 4.44Å; F215-I229 HydrophobicContact CD2-CG1 4.24Å; F215-I229 HydrophobicContact CE1-CG1 4.42Å; F215-I229 HydrophobicContact CE2-CB 4.38Å; F215-I229 HydrophobicContact CE2-CG1 4.49Å; F215-I229 HydrophobicContact CE2-CG2 4.35Å; F215-I229 HydrophobicContact CG-CD1 4.13Å; F215-I229 HydrophobicContact CG-CG1 4.08Å; F215-I229 HydrophobicContact CZ-CG2 4.27Å; F226-I229 HydrophobicContact CB-CB 4.26Å; F226-I229 HydrophobicContact CD2-CD1 4.18Å; I229-E231 PolarHBondContact O-N 2.94Å; I229-L232 HydrophobicContact CD1-CD1 3.6Å; I229-L232 HydrophobicContact CD1-CG 4.14Å; I229-L232 WeakPolarHBondContact O-CB 3.39Å; I229-L232 WeakPolarHBondContact O-CG 3.24Å; I229-L232 PolarHBondContact O-N 2.97Å
230D94.9Very high94.8Very high73 Ų7339.3 Ų39.339%0.3920%0.203SC..G310 helixtrans-68.2-12.2175.7-75.8-60000114.1R10 D228 L232 R291 N304R10-D230 PolarHBondContact NH2-O 3.31Å; D228-D230 PolarHBondContact O-N 2.71Å; D228-D230 VanDerWaalsContact O-N 3.15Å; D230-L232 PolarHBondContact O-N 3.21Å; D230-R291 IonicContact OD1-NH2 2.67Å; D230-R291 PolarHBondContact OD1-NH2 2.87Å; D230-N304 WeakPolarHBondContact OD1-CB 3.49Å
231E96Very high95Very high109 Ų10938.3 Ų38.351%0.50919%0.193SC..G310 helixtrans-71-22.2173-69.2-61.515000112.4V177 D228 I229V177-E231 HydrophobicContact CG2-CB 3.71Å; V177-E231 HydrophobicContact CG2-CG 3.98Å; D228-E231 HydrophobicContact CB-CG 3.99Å; D228-E231 VanDerWaalsContact O-CB 3.26Å; D228-E231 WeakPolarHBondContact O-CB 3.39Å; D228-E231 PolarHBondContact O-N 3.48Å; I229-E231 PolarHBondContact O-N 2.94Å
232L96.1Very high95Very high2 Ų232.3 Ų32.31%0.0117%0.165CC..  trans-61.8156.5171.8-59.8-168.5000111.1R10 L180 Q208 V211 A212 I229 D230R10-L232 PolarHBondContact NH2-O 2.87Å; L180-L232 HydrophobicContact CD1-CD2 3.7Å; L180-L232 HydrophobicContact CG-CD2 4.41Å; Q208-L232 HydrophobicContact CB-CD2 4.45Å; Q208-L232 HydrophobicContact CG-CD2 4.3Å; V211-L232 HydrophobicContact CB-CD1 4.17Å; V211-L232 HydrophobicContact CG1-CD1 4.05Å; V211-L232 HydrophobicContact CG1-CD2 4.46Å; A212-L232 HydrophobicContact CB-CD1 4.06Å; I229-L232 HydrophobicContact CD1-CD1 3.6Å; I229-L232 HydrophobicContact CD1-CG 4.14Å; I229-L232 WeakPolarHBondContact O-CB 3.39Å; I229-L232 WeakPolarHBondContact O-CG 3.24Å; I229-L232 PolarHBondContact O-N 2.97Å; D230-L232 PolarHBondContact O-N 3.21Å
233T96.1Very high95Very high6 Ų626.2 Ų26.24%0.03714%0.137CC..  trans-120.7173.3177.160.30000109.7P9 R10 Q208 F235 I281P9-T233 HydrophobicContact CB-CG2 4.13Å; P9-T233 VanDerWaalsContact CB-OG1 3.24Å; P9-T233 WeakPolarHBondContact CB-OG1 3.31Å; R10-T233 HydrophobicContact CB-CG2 3.71Å; R10-T233 HydrophobicContact CG-CG2 4.42Å; Q208-T233 PolarHBondContact NE2-OG1 3.23Å; Q208-T233 PolarHBondContact OE1-OG1 3.05Å; T233-F235 VanDerWaalsContact O-CD1 3.31Å; T233-F235 WeakPolarHBondContact O-CD1 3.29Å; T233-F235 VanDerWaalsContact O-CE1 3.24Å; T233-F235 WeakPolarHBondContact O-CE1 3.24Å; T233-I281 HydrophobicContact CG2-CG2 3.99Å
234M93.1Very high95Very high21 Ų2125 Ų2510%0.10313%0.129CC..  trans-60.9154.117468.8178.9-62.300112.3A236 V240 L244 I281 D309M234-A236 PolarHBondContact O-N 3.12Å; M234-A236 VanDerWaalsContact O-N 3.13Å; M234-V240 HydrophobicContact CE-CB 4Å; M234-V240 HydrophobicContact CE-CG1 3.2Å; M234-L244 HydrophobicContact CE-CD1 4Å; M234-L244 HydrophobicContact SD-CD1 4.4Å; M234-I281 HydrophobicContact CG-CB 4.46Å; M234-I281 HydrophobicContact CG-CG1 3.97Å; M234-D309 HydrophobicContact CB-CB 4.24Å
235F94.1Very high95Very high18 Ų1825.5 Ų25.58%0.07913%0.132CC..  trans-94.868.4-172.1-48.5-34.1000109.5K205 Q208 I209 A212 T233 D237 S306 D309K205-F235 HydrophobicContact CG-CB 4.15Å; Q208-F235 HydrophobicContact CB-CD1 3.72Å; Q208-F235 HydrophobicContact CB-CE1 3.58Å; I209-F235 HydrophobicContact CD1-CB 4.14Å; I209-F235 HydrophobicContact CD1-CD2 4.2Å; I209-F235 HydrophobicContact CD1-CG 4.26Å; I209-F235 HydrophobicContact CG1-CB 3.96Å; I209-F235 HydrophobicContact CG1-CD1 4.13Å; I209-F235 HydrophobicContact CG1-CD2 3.4Å; I209-F235 HydrophobicContact CG1-CE2 3.85Å; I209-F235 HydrophobicContact CG1-CG 3.55Å; I209-F235 HydrophobicContact CG1-CZ 4.4Å; A212-F235 HydrophobicContact CB-CE2 4.25Å; A212-F235 HydrophobicContact CB-CZ 3.6Å; T233-F235 VanDerWaalsContact O-CD1 3.31Å; T233-F235 WeakPolarHBondContact O-CD1 3.29Å; T233-F235 VanDerWaalsContact O-CE1 3.24Å; T233-F235 WeakPolarHBondContact O-CE1 3.24Å; F235-D237 VanDerWaalsContact C-N 3.29Å; F235-D237 PolarHBondContact O-N 2.7Å; F235-S306 WeakPolarHBondContact CZ-OG 3.42Å; F235-D309 HydrophobicContact CD2-CB 4.17Å; F235-D309 VanDerWaalsContact CD2-OD2 3.25Å; F235-D309 WeakPolarHBondContact CD2-OD2 3.34Å; F235-D309 PolarHBondContact N-OD1 3.27Å
236A88.5Confident95Very high1 Ų127 Ų271%0.00813%0.132CC..  trans-58.282.9-171.600000113.6M234 R277 I281M234-A236 PolarHBondContact O-N 3.12Å; M234-A236 VanDerWaalsContact O-N 3.13Å; A236-R277 HydrophobicContact CB-CB 3.99Å; A236-R277 HydrophobicContact CB-CG 4.42Å; A236-R277 WeakPolarHBondContact CB-O 3.22Å; A236-R277 PolarHBondContact O-NE 2.92Å; A236-R277 PolarHBondContact O-NH2 3.42Å; A236-I281 HydrophobicContact CB-CD1 4.31Å; A236-I281 HydrophobicContact CB-CG1 3.87Å
237D91.7Very high94.9Very high16 Ų1628 Ų289%0.08614%0.137CC..SBendtrans-94.1-146.2174.4-172.646.6000109.6K205 F235 P241 H330 Y337K205-D237 WeakPolarHBondContact CE-OD1 3.39Å; K205-D237 IonicContact NZ-OD1 3.96Å; K205-D237 PolarHBondContact NZ-OD1 3.14Å; F235-D237 VanDerWaalsContact C-N 3.29Å; F235-D237 PolarHBondContact O-N 2.7Å; D237-P241 WeakPolarHBondContact O-CD 3.46Å; D237-P241 WeakPolarHBondContact O-CG 3.5Å; D237-H330 PolarHBondContact O-CE1 2.86Å; D237-H330 VanDerWaalsContact O-CE1 3.27Å; D237-Y337 WeakPolarHBondContact OD1-CA 3.49Å; D237-Y337 WeakPolarHBondContact OD1-CD1 3.41Å
238Y94Very high94.9Very high22 Ų2222.2 Ų22.29%0.08611%0.111CC..SBendtrans-97.5-20.6178.363.2-87.9000114.4Q242 F329Y238-Q242 WeakPolarHBondContact O-CB 3.43Å; Y238-F329 HydrophobicContact CD2-CB 4.06Å; Y238-F329 HydrophobicContact CD2-CD1 4.49Å; Y238-F329 AromaticContact CD2-CD2 3.42Å; Y238-F329 HydrophobicContact CD2-CD2 3.42Å; Y238-F329 VanDerWaalsContact CD2-CD2 3.42Å; Y238-F329 AromaticContact CD2-CE2 3.93Å; Y238-F329 HydrophobicContact CD2-CE2 3.93Å; Y238-F329 AromaticContact CD2-CG 3.75Å; Y238-F329 HydrophobicContact CD2-CG 3.75Å; Y238-F329 HydrophobicContact CE2-CD2 4.14Å; Y238-F329 HydrophobicContact CE2-CE2 4.21Å; Y238-F329 HydrophobicContact CE2-CG 4.5Å; Y238-F329 HydrophobicContact CG-CD2 4.02Å
239R93.7Very high94.9Very high26 Ų2620.5 Ų20.510%0.09810%0.102CC..Hα-helixtrans-85.5-43.3-176.7-69.4-55.9-168.1178.5-4.6114.2Q242 L243R239-Q242 WeakPolarHBondContact O-CB 3.44Å; R239-Q242 PolarHBondContact O-N 3.25Å; R239-L243 PolarHBondContact O-N 3.45Å
240V94Very high95Very high1 Ų119.9 Ų19.91%0.00610%0.099CC..Hα-helixtrans-68.3-46-177.9-171.70000110.9M234 Q242 L243 L244 L312 W313M234-V240 HydrophobicContact CE-CB 4Å; M234-V240 HydrophobicContact CE-CG1 3.2Å; V240-Q242 VanDerWaalsContact C-N 3.29Å; V240-Q242 PolarHBondContact O-N 2.95Å; V240-L243 PolarHBondContact O-N 3.46Å; V240-L244 WeakPolarHBondContact O-CG 3.25Å; V240-L244 PolarHBondContact O-N 2.81Å; V240-L312 HydrophobicContact CG1-CB 3.85Å; V240-L312 HydrophobicContact CG1-CD1 3.71Å; V240-L312 HydrophobicContact CG1-CG 4.45Å; V240-W313 HydrophobicContact CG2-CB 4.25Å
241P95.6Very high95.2Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-60.7-37.8174.2-25.237000113D237 L243 L244 V245 L250 I276 S280D237-P241 WeakPolarHBondContact O-CD 3.46Å; D237-P241 WeakPolarHBondContact O-CG 3.5Å; P241-L243 VanDerWaalsContact C-N 3.28Å; P241-L243 PolarHBondContact O-N 3.35Å; P241-L244 PolarHBondContact O-N 2.77Å; P241-V245 WeakPolarHBondContact O-CG2 3.47Å; P241-V245 PolarHBondContact O-N 3.39Å; P241-L250 HydrophobicContact CB-CD1 4.48Å; P241-I276 HydrophobicContact CB-CG2 3.5Å; P241-I276 HydrophobicContact CG-CG2 4.05Å; P241-S280 VanDerWaalsContact CB-OG 3.23Å; P241-S280 WeakPolarHBondContact CB-OG 3.47Å; P241-S280 WeakPolarHBondContact CG-OG 3.46Å
242Q95.5Very high95.2Very high1 Ų116.3 Ų16.31%0.0058%0.079CC..Hα-helixtrans-58.3-41.2173.8164.6179.371.300111.7Y238 R239 V240 V245 Y246 V323 V327 F329Y238-Q242 WeakPolarHBondContact O-CB 3.43Å; R239-Q242 WeakPolarHBondContact O-CB 3.44Å; R239-Q242 PolarHBondContact O-N 3.25Å; V240-Q242 VanDerWaalsContact C-N 3.29Å; V240-Q242 PolarHBondContact O-N 2.95Å; Q242-V245 PolarHBondContact O-N 3.11Å; Q242-Y246 PolarHBondContact O-N 2.73Å; Q242-V323 HydrophobicContact CG-CG1 3.62Å; Q242-V327 HydrophobicContact CG-CB 4.38Å; Q242-V327 HydrophobicContact CG-CG1 4.42Å; Q242-V327 PolarHBondContact NE2-O 3.21Å; Q242-F329 HydrophobicContact CB-CB 4.22Å
243L95.2Very high95.3Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-72-36.9178.4-170.866.6000112R239 V240 P241 V245 Y246 F247 L312 Y315 C316 V323R239-L243 PolarHBondContact O-N 3.45Å; V240-L243 PolarHBondContact O-N 3.46Å; P241-L243 VanDerWaalsContact C-N 3.28Å; P241-L243 PolarHBondContact O-N 3.35Å; L243-V245 VanDerWaalsContact C-N 3.29Å; L243-V245 PolarHBondContact O-N 2.71Å; L243-Y246 HydrophobicContact CD1-CD1 3.84Å; L243-Y246 HydrophobicContact CD1-CG 4.33Å; L243-Y246 VanDerWaalsContact O-CB 3.31Å; L243-Y246 WeakPolarHBondContact O-CB 3.46Å; L243-Y246 PolarHBondContact O-N 2.91Å; L243-Y246 VanDerWaalsContact O-N 3.09Å; L243-F247 HydrophobicContact CD1-CD2 4.06Å; L243-F247 HydrophobicContact CD1-CE2 3.67Å; L243-F247 HydrophobicContact CD2-CE2 4.01Å; L243-F247 HydrophobicContact CG-CD2 3.85Å; L243-F247 HydrophobicContact CG-CE2 3.68Å; L243-F247 WeakPolarHBondContact O-CD2 3.34Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-L312 HydrophobicContact CD2-CB 3.91Å; L243-L312 HydrophobicContact CD2-CD2 3.79Å; L243-L312 HydrophobicContact CD2-CG 4.45Å; L243-L312 WeakPolarHBondContact CD2-O 3.37Å; L243-Y315 HydrophobicContact CD1-CD1 3.67Å; L243-Y315 HydrophobicContact CD1-CE1 3.98Å; L243-Y315 HydrophobicContact CD2-CD1 3.77Å; L243-Y315 HydrophobicContact CD2-CG 4.2Å; L243-Y315 HydrophobicContact CG-CD1 4.38Å; L243-C316 HydrophobicContact CB-CB 4.41Å; L243-C316 HydrophobicContact CD2-CB 4.25Å; L243-V323 HydrophobicContact CD1-CG1 4.48Å; L243-V323 HydrophobicContact CD1-CG2 3.86Å
244L96.9Very high95.4Very high0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-60.4-39.9174.1-65.4-176.6000111.6V33 M234 V240 P241 F247 G248 A249 L250 A283 I286 L312V33-L244 HydrophobicContact CG1-CD2 4.17Å; V33-L244 HydrophobicContact CG2-CD2 4.07Å; M234-L244 HydrophobicContact CE-CD1 4Å; M234-L244 HydrophobicContact SD-CD1 4.4Å; V240-L244 WeakPolarHBondContact O-CG 3.25Å; V240-L244 PolarHBondContact O-N 2.81Å; P241-L244 PolarHBondContact O-N 2.77Å; L244-F247 PolarHBondContact O-N 3.17Å; L244-G248 CarbonylContact O-C 3.56Å; L244-G248 PolarHBondContact O-N 3.34Å; L244-G248 VanDerWaalsContact O-N 3.13Å; L244-A249 HydrophobicContact CB-CB 4.22Å; L244-A249 HydrophobicContact CD2-CB 4.31Å; L244-A249 WeakPolarHBondContact O-CB 3.47Å; L244-A249 PolarHBondContact O-N 3.04Å; L244-L250 HydrophobicContact CB-CB 4.35Å; L244-L250 HydrophobicContact CB-CD1 3.82Å; L244-L250 HydrophobicContact CB-CG 3.77Å; L244-L250 HydrophobicContact CD1-CD1 3.91Å; L244-L250 HydrophobicContact CD1-CG 4.19Å; L244-L250 PolarHBondContact O-N 3.05Å; L244-A283 HydrophobicContact CD1-CB 4.34Å; L244-I286 HydrophobicContact CD2-CD1 3.54Å; L244-L312 HydrophobicContact CD2-CD1 4.03Å
245V96.5Very high95.7Very high10 Ų1025 Ų256%0.06114%0.138CC..Hα-helixtrans-66.8-38.4172.7-179.10000112P241 Q242 L243 F247 G248 L250 Y252 V327P241-V245 WeakPolarHBondContact O-CG2 3.47Å; P241-V245 PolarHBondContact O-N 3.39Å; Q242-V245 PolarHBondContact O-N 3.11Å; L243-V245 VanDerWaalsContact C-N 3.29Å; L243-V245 PolarHBondContact O-N 2.71Å; V245-F247 VanDerWaalsContact C-N 3.3Å; V245-F247 PolarHBondContact O-N 3Å; V245-G248 WeakPolarHBondContact O-CA 3.29Å; V245-G248 PolarHBondContact O-N 2.87Å; V245-L250 WeakPolarHBondContact CA-O 3.34Å; V245-L250 HydrophobicContact CG2-CB 3.72Å; V245-Y252 HydrophobicContact CG2-CD1 4.07Å; V245-Y252 HydrophobicContact CG2-CD2 4.07Å; V245-Y252 HydrophobicContact CG2-CE1 3.51Å; V245-Y252 HydrophobicContact CG2-CE2 3.53Å; V245-Y252 HydrophobicContact CG2-CG 4.32Å; V245-Y252 WeakPolarHBondContact CG2-OH 3.5Å; V245-V327 HydrophobicContact CB-CG1 3.97Å; V245-V327 HydrophobicContact CB-CG2 4.26Å; V245-V327 HydrophobicContact CG1-CB 4.45Å; V245-V327 HydrophobicContact CG1-CG1 3.76Å; V245-V327 HydrophobicContact CG1-CG2 3.79Å
246Y95.6Very high95.9Very high57 Ų5724.1 Ų24.122%0.22414%0.135CC..Hα-helixtrans-59-41.1177.6173.4-96.9000112.1Q242 L243 G248 E322 V323Q242-Y246 PolarHBondContact O-N 2.73Å; L243-Y246 HydrophobicContact CD1-CD1 3.84Å; L243-Y246 HydrophobicContact CD1-CG 4.33Å; L243-Y246 VanDerWaalsContact O-CB 3.31Å; L243-Y246 WeakPolarHBondContact O-CB 3.46Å; L243-Y246 PolarHBondContact O-N 2.91Å; L243-Y246 VanDerWaalsContact O-N 3.09Å; Y246-G248 PolarHBondContact O-N 2.89Å; Y246-E322 HydrophobicContact CE2-CG 4.2Å; Y246-E322 PolarHBondContact OH-OE1 3.06Å; Y246-V323 HydrophobicContact CD1-CG2 4.28Å; Y246-V323 HydrophobicContact CD2-CG2 4.26Å; Y246-V323 HydrophobicContact CE1-CG2 4.49Å; Y246-V323 HydrophobicContact CE2-CG2 4.47Å; Y246-V323 HydrophobicContact CG-CG2 4.16Å
247F95.7Very high96.3Very high32 Ų3229.3 Ų29.314%0.1415%0.154CC..THydrogen-bonded Turntrans-79.1-6.9172.9-75-69.9000114K32 V33 A36 L243 L244 V245 A249 Y315K32-F247 HydrophobicContact CB-CD1 4.48Å; K32-F247 WeakPolarHBondContact CD-O 3.33Å; V33-F247 HydrophobicContact CG2-CB 3.43Å; V33-F247 VanDerWaalsContact CG2-CB 3.43Å; V33-F247 HydrophobicContact CG2-CD2 3.92Å; V33-F247 HydrophobicContact CG2-CG 3.83Å; A36-F247 HydrophobicContact CB-CZ 4.33Å; L243-F247 HydrophobicContact CD1-CD2 4.06Å; L243-F247 HydrophobicContact CD1-CE2 3.67Å; L243-F247 HydrophobicContact CD2-CE2 4.01Å; L243-F247 HydrophobicContact CG-CD2 3.85Å; L243-F247 HydrophobicContact CG-CE2 3.68Å; L243-F247 WeakPolarHBondContact O-CD2 3.34Å; L243-F247 PolarHBondContact O-N 2.95Å; L244-F247 PolarHBondContact O-N 3.17Å; V245-F247 VanDerWaalsContact C-N 3.3Å; V245-F247 PolarHBondContact O-N 3Å; F247-A249 VanDerWaalsContact C-N 3.33Å; F247-Y315 HydrophobicContact CE2-CD1 4.35Å; F247-Y315 HydrophobicContact CE2-CE1 4.09Å; F247-Y315 HydrophobicContact CZ-CD1 4.43Å; F247-Y315 AromaticContact CZ-CE1 3.8Å; F247-Y315 HydrophobicContact CZ-CE1 3.8Å; F247-Y315 HydrophobicContact CZ-CE2 4.37Å; F247-Y315 AromaticContact CZ-CZ 3.77Å
248G96.8Very high96.6Very high22 Ų2232 Ų3223%0.22717%0.168CC..THydrogen-bonded Turntrans78.111.8-176.700000114.2S26 L244 V245 Y246 L250S26-G248 WeakPolarHBondContact CB-O 3.23Å; L244-G248 CarbonylContact O-C 3.56Å; L244-G248 PolarHBondContact O-N 3.34Å; L244-G248 VanDerWaalsContact O-N 3.13Å; V245-G248 WeakPolarHBondContact O-CA 3.29Å; V245-G248 PolarHBondContact O-N 2.87Å; Y246-G248 PolarHBondContact O-N 2.89Å; G248-L250 VanDerWaalsContact C-N 3.27Å
249A97.8Very high96.8Very high0 Ų032.9 Ų32.90%017%0.174CC..SBendtrans-68.3-29.817400000112.1I25 S26 I30 V33 L244 F247I25-A249 WeakPolarHBondContact CA-O 3.18Å; S26-A249 PolarHBondContact N-O 3.15Å; I30-A249 HydrophobicContact CD1-CB 4.13Å; V33-A249 HydrophobicContact CG2-CB 3.81Å; L244-A249 HydrophobicContact CB-CB 4.22Å; L244-A249 HydrophobicContact CD2-CB 4.31Å; L244-A249 WeakPolarHBondContact O-CB 3.47Å; L244-A249 PolarHBondContact O-N 3.04Å; F247-A249 VanDerWaalsContact C-N 3.33Å
250L97.8Very high96.9Very high1 Ų131.8 Ų31.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-116136.7169.5-63.5-179.1000110.8V23 H24 I25 P241 L244 V245 G248 Y252 C279 S280V23-L250 HydrophobicContact CG1-CB 4.39Å; V23-L250 HydrophobicContact CG1-CD1 4.42Å; V23-L250 HydrophobicContact CG1-CD2 4.14Å; H24-L250 CarbonylContact O-C 3.25Å; H24-L250 WeakPolarHBondContact O-CA 3.27Å; I25-L250 HydrophobicContact CG1-CD2 3.87Å; P241-L250 HydrophobicContact CB-CD1 4.48Å; L244-L250 HydrophobicContact CB-CB 4.35Å; L244-L250 HydrophobicContact CB-CD1 3.82Å; L244-L250 HydrophobicContact CB-CG 3.77Å; L244-L250 HydrophobicContact CD1-CD1 3.91Å; L244-L250 HydrophobicContact CD1-CG 4.19Å; L244-L250 PolarHBondContact O-N 3.05Å; V245-L250 WeakPolarHBondContact CA-O 3.34Å; V245-L250 HydrophobicContact CG2-CB 3.72Å; G248-L250 VanDerWaalsContact C-N 3.27Å; L250-Y252 HydrophobicContact CB-CE1 4.33Å; L250-C279 HydrophobicContact CD2-CB 3.97Å; L250-S280 WeakPolarHBondContact CD1-OG 3.5Å
251E97.7Very high97Very high92 Ų9236.5 Ų36.543%0.4320%0.199SC..EExtended strand (participates in β ladder)trans-118.6122.5177-66.2-178.7-15900109.7V23 H24 S26V23-E251 WeakPolarHBondContact CA-O 3Å; H24-E251 PolarHBondContact N-O 2.99Å; H24-E251 PolarHBondContact O-N 3.29Å; S26-E251 WeakPolarHBondContact CB-OE1 3.44Å; S26-E251 PolarHBondContact OG-OE1 3.31Å
252Y97.8Very high97.1Very high14 Ų1443.3 Ų43.36%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-94138.9177.7-63.8-15.7000111.4H22 V23 V245 L250 L256 R257 L260 I276H22-Y252 WeakPolarHBondContact O-CA 3.21Å; V23-Y252 HydrophobicContact CB-CD1 4.3Å; V23-Y252 HydrophobicContact CB-CE1 4.42Å; V23-Y252 HydrophobicContact CG1-CD1 3.94Å; V23-Y252 HydrophobicContact CG1-CE1 3.76Å; V23-Y252 HydrophobicContact CG2-CD1 3.8Å; V23-Y252 HydrophobicContact CG2-CE1 3.87Å; V245-Y252 HydrophobicContact CG2-CD1 4.07Å; V245-Y252 HydrophobicContact CG2-CD2 4.07Å; V245-Y252 HydrophobicContact CG2-CE1 3.51Å; V245-Y252 HydrophobicContact CG2-CE2 3.53Å; V245-Y252 HydrophobicContact CG2-CG 4.32Å; V245-Y252 WeakPolarHBondContact CG2-OH 3.5Å; L250-Y252 HydrophobicContact CB-CE1 4.33Å; Y252-L256 HydrophobicContact CD1-CD2 3.75Å; Y252-L256 HydrophobicContact CD2-CD2 4.04Å; Y252-L256 HydrophobicContact CD2-CG 4.18Å; Y252-L256 HydrophobicContact CE1-CD2 4.24Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 HydrophobicContact CG-CD2 3.64Å; Y252-L256 HydrophobicContact CG-CG 4.11Å; Y252-R257 PolarHBondContact O-NE 2.98Å; Y252-L260 HydrophobicContact CD2-CD1 3.43Å; Y252-L260 VanDerWaalsContact CD2-CD1 3.43Å; Y252-L260 HydrophobicContact CE2-CD1 3.49Å; Y252-L260 VanDerWaalsContact CE2-CD1 3.49Å; Y252-I276 HydrophobicContact CE1-CG1 3.99Å; Y252-I276 WeakPolarHBondContact OH-CG2 3.39Å
253S98.2Very high97.1Very high26 Ų2649.1 Ų49.118%0.18225%0.254CS..  trans-56.4160.7168.465.30000112.3H22 D255 L256 R257H22-S253 WeakPolarHBondContact CB-OG 3.13Å; H22-S253 PolarHBondContact ND1-OG 2.9Å; H22-S253 PolarHBondContact O-N 3.38Å; S253-D255 VanDerWaalsContact C-N 3.31Å; S253-D255 PolarHBondContact O-N 3.2Å; S253-L256 PolarHBondContact O-N 3.44Å; S253-L256 PolarHBondContact OG-N 3.09Å; S253-R257 WeakPolarHBondContact O-CG 3.43Å; S253-R257 PolarHBondContact O-N 3.23Å
254A97.9Very high97.2Very high78 Ų7852.9 Ų52.965%0.64527%0.272SS*.Hα-helixtrans-58.2-42.6179.200000112.4R257 D258A254-R257 PolarHBondContact O-N 3.33Å; A254-D258 PolarHBondContact O-N 3.27Å
255D98.3Very high97.2Very high107 Ų10757.5 Ų57.557%0.57230%0.295SS*.Hα-helixtrans-63.2-45.3-179.8-64.4-17.2000111.8S253 R257 D258 L259 M272S253-D255 VanDerWaalsContact C-N 3.31Å; S253-D255 PolarHBondContact O-N 3.2Å; D255-R257 VanDerWaalsContact C-N 3.34Å; D255-R257 PolarHBondContact O-N 2.97Å; D255-D258 PolarHBondContact O-N 3.46Å; D255-L259 PolarHBondContact O-N 2.94Å; D255-L259 VanDerWaalsContact O-N 3.14Å; D255-M272 HydrophobicContact CB-CE 4.29Å
256L98.2Very high97.3Very high0 Ų057.3 Ų57.30%029%0.294CS..Hα-helixtrans-63.5-42.1176.6179.853.4000111.1H22 V23 Y252 S253 D258 L259 L260 F266 M272 I276H22-L256 HydrophobicContact CB-CB 4.29Å; H22-L256 HydrophobicContact CB-CD2 4.21Å; V23-L256 HydrophobicContact CG2-CD2 3.64Å; Y252-L256 HydrophobicContact CD1-CD2 3.75Å; Y252-L256 HydrophobicContact CD2-CD2 4.04Å; Y252-L256 HydrophobicContact CD2-CG 4.18Å; Y252-L256 HydrophobicContact CE1-CD2 4.24Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 HydrophobicContact CG-CD2 3.64Å; Y252-L256 HydrophobicContact CG-CG 4.11Å; S253-L256 PolarHBondContact O-N 3.44Å; S253-L256 PolarHBondContact OG-N 3.09Å; L256-D258 VanDerWaalsContact C-N 3.34Å; L256-D258 PolarHBondContact O-N 2.78Å; L256-L259 PolarHBondContact O-N 3.31Å; L256-L260 HydrophobicContact CD1-CD1 4.46Å; L256-L260 HydrophobicContact CD1-CG 4.33Å; L256-L260 HydrophobicContact CG-CD1 4.29Å; L256-L260 VanDerWaalsContact O-CG 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.43Å; L256-L260 PolarHBondContact O-N 3.23Å; L256-L260 VanDerWaalsContact O-N 3.1Å; L256-F266 HydrophobicContact CD1-CE1 4.22Å; L256-F266 HydrophobicContact CD1-CZ 3.79Å; L256-M272 HydrophobicContact CB-SD 4.46Å; L256-M272 HydrophobicContact CD1-CB 4.08Å; L256-M272 HydrophobicContact CD1-CG 4.43Å; L256-M272 HydrophobicContact CD1-SD 4.03Å; L256-I276 HydrophobicContact CD1-CD1 4.06Å; L256-I276 HydrophobicContact CD2-CD1 4.04Å; L256-I276 HydrophobicContact CD2-CG1 3.92Å
257R97.1Very high97.3Very high110 Ų11057.1 Ų57.142%0.41530%0.304SS..Hα-helixtrans-60.6-42.3176.3-71.9179.9-173.2-87.82.3112.2Y252 S253 A254 D255 L260 V261Y252-R257 PolarHBondContact O-NE 2.98Å; S253-R257 WeakPolarHBondContact O-CG 3.43Å; S253-R257 PolarHBondContact O-N 3.23Å; A254-R257 PolarHBondContact O-N 3.33Å; D255-R257 VanDerWaalsContact C-N 3.34Å; D255-R257 PolarHBondContact O-N 2.97Å; R257-L260 PolarHBondContact O-N 3.28Å; R257-V261 WeakPolarHBondContact O-CG2 3.19Å; R257-V261 PolarHBondContact O-N 3.47Å
258D97.8Very high97.4Very high72 Ų7258.3 Ų58.339%0.38532%0.317SS..Hα-helixtrans-61.2-45.1178.1177.165.9000111.9A254 D255 L256 L260 V261 K262A254-D258 PolarHBondContact O-N 3.27Å; D255-D258 PolarHBondContact O-N 3.46Å; L256-D258 VanDerWaalsContact C-N 3.34Å; L256-D258 PolarHBondContact O-N 2.78Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.04Å; D258-V261 PolarHBondContact O-N 3.4Å; D258-K262 VanDerWaalsContact CG-NZ 3.31Å; D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 WeakPolarHBondContact O-CG 3.45Å; D258-K262 PolarHBondContact O-N 2.96Å; D258-K262 WeakPolarHBondContact OD1-CE 3.33Å; D258-K262 IonicContact OD1-NZ 3.31Å; D258-K262 PolarHBondContact OD1-NZ 3.25Å; D258-K262 VanDerWaalsContact OD2-CE 3.28Å; D258-K262 WeakPolarHBondContact OD2-CE 3Å; D258-K262 IonicContact OD2-NZ 3.19Å; D258-K262 PolarHBondContact OD2-NZ 3.41Å
259L98.1Very high97.4Very high41 Ų4158.7 Ų58.722%0.21532%0.321CS..Hα-helixtrans-59.3-42.2175.2-70.1174.4000112.3D255 L256 K262 K263 H264 F266 M272D255-L259 PolarHBondContact O-N 2.94Å; D255-L259 VanDerWaalsContact O-N 3.14Å; L256-L259 PolarHBondContact O-N 3.31Å; L259-K262 CarbonylContact O-C 3.59Å; L259-K262 PolarHBondContact O-N 2.74Å; L259-K263 PolarHBondContact O-N 2.93Å; L259-H264 HydrophobicContact CB-CB 3.97Å; L259-H264 HydrophobicContact CD2-CB 4.1Å; L259-H264 VanDerWaalsContact O-CB 3.25Å; L259-H264 WeakPolarHBondContact O-CB 3.32Å; L259-H264 PolarHBondContact O-N 3.46Å; L259-F266 HydrophobicContact CB-CZ 4.03Å; L259-F266 HydrophobicContact CD1-CE1 4.12Å; L259-F266 HydrophobicContact CD1-CZ 4.18Å; L259-M272 HydrophobicContact CD1-CE 4.25Å; L259-M272 HydrophobicContact CD1-SD 3.48Å; L259-M272 WeakPolarHBondContact CD1-SD 3.13Å
260L96.7Very high97.4Very high4 Ų461.6 Ų61.62%0.02134%0.336CS..Hα-helixtrans-65.3-42.8179.1-67.7175.7000112.4Y252 L256 R257 D258 K262 K263 F266 P328 H330Y252-L260 HydrophobicContact CD2-CD1 3.43Å; Y252-L260 VanDerWaalsContact CD2-CD1 3.43Å; Y252-L260 HydrophobicContact CE2-CD1 3.49Å; Y252-L260 VanDerWaalsContact CE2-CD1 3.49Å; L256-L260 HydrophobicContact CD1-CD1 4.46Å; L256-L260 HydrophobicContact CD1-CG 4.33Å; L256-L260 HydrophobicContact CG-CD1 4.29Å; L256-L260 VanDerWaalsContact O-CG 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.43Å; L256-L260 PolarHBondContact O-N 3.23Å; L256-L260 VanDerWaalsContact O-N 3.1Å; R257-L260 PolarHBondContact O-N 3.28Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.04Å; L260-K262 VanDerWaalsContact C-N 3.33Å; L260-K263 PolarHBondContact O-N 3.21Å; L260-F266 HydrophobicContact CD2-CE2 3.96Å; L260-F266 HydrophobicContact CD2-CZ 4.42Å; L260-P328 HydrophobicContact CB-CB 4.22Å; L260-H330 HydrophobicContact CD2-CB 3.65Å
261V96Very high97.4Very high99 Ų9964.8 Ų64.860%0.636%0.358SS*.Hα-helixtrans-61-43.8175.2169.20000110.7R257 D258 K263R257-V261 WeakPolarHBondContact O-CG2 3.19Å; R257-V261 PolarHBondContact O-N 3.47Å; D258-V261 PolarHBondContact O-N 3.4Å; V261-K263 PolarHBondContact O-N 3.04Å; V261-K263 VanDerWaalsContact O-N 3.12Å
262K97.1Very high97.4Very high143 Ų14361.8 Ų61.862%0.62235%0.345SS*.THydrogen-bonded Turntrans-69.5-2.4175.5-71.5172.1-179.91670113.9D258 L259 L260 H264D258-K262 VanDerWaalsContact CG-NZ 3.31Å; D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 WeakPolarHBondContact O-CG 3.45Å; D258-K262 PolarHBondContact O-N 2.96Å; D258-K262 WeakPolarHBondContact OD1-CE 3.33Å; D258-K262 IonicContact OD1-NZ 3.31Å; D258-K262 PolarHBondContact OD1-NZ 3.25Å; D258-K262 VanDerWaalsContact OD2-CE 3.28Å; D258-K262 WeakPolarHBondContact OD2-CE 3Å; D258-K262 IonicContact OD2-NZ 3.19Å; D258-K262 PolarHBondContact OD2-NZ 3.41Å; L259-K262 CarbonylContact O-C 3.59Å; L259-K262 PolarHBondContact O-N 2.74Å; L260-K262 VanDerWaalsContact C-N 3.33Å; K262-H264 PolarHBondContact O-N 3.33Å
263K95.5Very high97.4Very high123 Ų12361.2 Ų61.254%0.53534%0.343SS..THydrogen-bonded Turntrans59.533.9-178.7-54.8-176.3-179.6158.50113L259 L260 V261L259-K263 PolarHBondContact O-N 2.93Å; L260-K263 PolarHBondContact O-N 3.21Å; V261-K263 PolarHBondContact O-N 3.04Å; V261-K263 VanDerWaalsContact O-N 3.12Å
264H97.5Very high97.4Very high80 Ų8060 Ų6037%0.3733%0.334SS..  trans-51.1140.1176.8-175.875.4000111.3L259 K262 F266L259-H264 HydrophobicContact CB-CB 3.97Å; L259-H264 HydrophobicContact CD2-CB 4.1Å; L259-H264 VanDerWaalsContact O-CB 3.25Å; L259-H264 WeakPolarHBondContact O-CB 3.32Å; L259-H264 PolarHBondContact O-N 3.46Å; K262-H264 PolarHBondContact O-N 3.33Å; H264-F266 HydrophobicContact CB-CE2 4.43Å; H264-F266 AromaticContact CD2-CD1 3.88Å; H264-F266 AromaticContact CD2-CD2 3.94Å; H264-F266 AromaticContact CD2-CE1 3.92Å; H264-F266 AromaticContact CD2-CE2 3.96Å; H264-F266 AromaticContact CD2-CG 3.89Å; H264-F266 AromaticContact CD2-CZ 3.96Å
265L97.5Very high97.5Very high96 Ų9656.4 Ų56.450%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-100.2100.4176.4-17768.7000108W80 R331 R333W80-L265 HydrophobicContact CH2-CD1 3.96Å; W80-L265 HydrophobicContact CZ2-CD1 3.89Å; L265-R331 CarbonylContact C-O 3.58Å; L265-R331 WeakPolarHBondContact CA-O 3.34Å; L265-R331 HydrophobicContact CD1-CB 3.96Å; L265-R333 HydrophobicContact CD1-CB 4.11Å
266F97.9Very high97.5Very high6 Ų651.3 Ų51.33%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-67.5143.5174.9-62.8-92.8000110L256 L259 L260 H264 D270 M272 E273 H330 R331L256-F266 HydrophobicContact CD1-CE1 4.22Å; L256-F266 HydrophobicContact CD1-CZ 3.79Å; L259-F266 HydrophobicContact CB-CZ 4.03Å; L259-F266 HydrophobicContact CD1-CE1 4.12Å; L259-F266 HydrophobicContact CD1-CZ 4.18Å; L260-F266 HydrophobicContact CD2-CE2 3.96Å; L260-F266 HydrophobicContact CD2-CZ 4.42Å; H264-F266 HydrophobicContact CB-CE2 4.43Å; H264-F266 AromaticContact CD2-CD1 3.88Å; H264-F266 AromaticContact CD2-CD2 3.94Å; H264-F266 AromaticContact CD2-CE1 3.92Å; H264-F266 AromaticContact CD2-CE2 3.96Å; H264-F266 AromaticContact CD2-CG 3.89Å; H264-F266 AromaticContact CD2-CZ 3.96Å; F266-D270 WeakPolarHBondContact CA-OD2 3.39Å; F266-D270 HydrophobicContact CD1-CB 4.43Å; F266-M272 HydrophobicContact CE1-CB 3.96Å; F266-M272 HydrophobicContact CE1-SD 4.34Å; F266-E273 HydrophobicContact CB-CB 4.2Å; F266-E273 HydrophobicContact CD1-CB 4.38Å; F266-E273 HydrophobicContact CG-CB 4.46Å; F266-H330 HydrophobicContact CD2-CB 4.09Å; F266-H330 HydrophobicContact CE2-CB 4.02Å; F266-R331 PolarHBondContact N-O 3.35Å
267A96.9Very high97.5Very high54 Ų5451.3 Ų51.345%0.44628%0.277SS..PPolyproline II helixtrans-77.4150.7162.600000110G269 D270A267-G269 PolarHBondContact O-N 2.78Å; A267-D270 PolarHBondContact N-OD2 3.26Å; A267-D270 WeakPolarHBondContact O-CB 3.43Å; A267-D270 VanDerWaalsContact O-CG 3.32Å; A267-D270 PolarHBondContact O-N 3.03Å
268S96.3Very high97.5Very high57 Ų5746 Ų4640%0.39926%0.257SS..THydrogen-bonded Turntrans-67.7128.6171.7-165.90000109.2E273S268-E273 WeakPolarHBondContact CA-OE2 3.39Å
269G97Very high97.6Very high30 Ų3042.7 Ų42.731%0.30924%0.239SC..THydrogen-bonded Turntrans91.40.8-173.400000114.5A267 E273A267-G269 PolarHBondContact O-N 2.78Å; G269-E273 PolarHBondContact N-OE2 2.99Å
270D97.4Very high97.5Very high60 Ų6040.7 Ų40.732%0.32123%0.229SC..  trans-60.7141.4171.6-79.6-14.6000110.3F266 A267 M272 E273 V274F266-D270 WeakPolarHBondContact CA-OD2 3.39Å; F266-D270 HydrophobicContact CD1-CB 4.43Å; A267-D270 PolarHBondContact N-OD2 3.26Å; A267-D270 WeakPolarHBondContact O-CB 3.43Å; A267-D270 VanDerWaalsContact O-CG 3.32Å; A267-D270 PolarHBondContact O-N 3.03Å; D270-M272 PolarHBondContact O-N 3.06Å; D270-E273 HydrophobicContact CB-CB 3.94Å; D270-E273 WeakPolarHBondContact O-CB 3.35Å; D270-E273 PolarHBondContact O-N 2.86Å; D270-V274 WeakPolarHBondContact O-CB 3.32Å; D270-V274 WeakPolarHBondContact O-CG2 3.16Å; D270-V274 PolarHBondContact O-N 3.41Å
271S98.1Very high97.6Very high68 Ų6840.7 Ų40.748%0.47623%0.229SC..Hα-helixtrans-56.3-47.5-175.454.90000112.9E273 V274 E275S271-E273 VanDerWaalsContact C-N 3.32Å; S271-E273 PolarHBondContact O-N 3.21Å; S271-V274 PolarHBondContact O-N 3.46Å; S271-E275 WeakPolarHBondContact O-CB 3.48Å; S271-E275 VanDerWaalsContact O-CG 3.26Å; S271-E275 WeakPolarHBondContact O-CG 3.42Å; S271-E275 PolarHBondContact O-N 3.35Å
272M98.4Very high97.6Very high30 Ų3037.1 Ų37.115%0.14821%0.208CC..Hα-helixtrans-65.7-33.8177.8-72.4177.8177.100112.9H22 D255 L256 L259 F266 D270 I276H22-M272 HydrophobicContact CB-CG 4.25Å; H22-M272 WeakPolarHBondContact CE1-CE 3.32Å; H22-M272 VanDerWaalsContact NE2-CE 3.3Å; H22-M272 WeakPolarHBondContact NE2-CE 3.31Å; D255-M272 HydrophobicContact CB-CE 4.29Å; L256-M272 HydrophobicContact CB-SD 4.46Å; L256-M272 HydrophobicContact CD1-CB 4.08Å; L256-M272 HydrophobicContact CD1-CG 4.43Å; L256-M272 HydrophobicContact CD1-SD 4.03Å; L259-M272 HydrophobicContact CD1-CE 4.25Å; L259-M272 HydrophobicContact CD1-SD 3.48Å; L259-M272 WeakPolarHBondContact CD1-SD 3.13Å; F266-M272 HydrophobicContact CE1-CB 3.96Å; F266-M272 HydrophobicContact CE1-SD 4.34Å; D270-M272 PolarHBondContact O-N 3.06Å; M272-I276 WeakPolarHBondContact O-CD1 3.4Å; M272-I276 VanDerWaalsContact O-CG1 3.25Å; M272-I276 WeakPolarHBondContact O-CG1 3.34Å; M272-I276 PolarHBondContact O-N 3.19Å
273E98.1Very high97.5Very high1 Ų130.6 Ų30.61%0.00518%0.18CC..Hα-helixtrans-65.8-49.8175.4174.7-89.1108.900110.7F266 S268 G269 D270 S271 E275 I276 R277 Y337F266-E273 HydrophobicContact CB-CB 4.2Å; F266-E273 HydrophobicContact CD1-CB 4.38Å; F266-E273 HydrophobicContact CG-CB 4.46Å; S268-E273 WeakPolarHBondContact CA-OE2 3.39Å; G269-E273 PolarHBondContact N-OE2 2.99Å; D270-E273 HydrophobicContact CB-CB 3.94Å; D270-E273 WeakPolarHBondContact O-CB 3.35Å; D270-E273 PolarHBondContact O-N 2.86Å; S271-E273 VanDerWaalsContact C-N 3.32Å; S271-E273 PolarHBondContact O-N 3.21Å; E273-E275 VanDerWaalsContact C-N 3.29Å; E273-E275 PolarHBondContact O-N 3.15Å; E273-I276 WeakPolarHBondContact O-CB 3.45Å; E273-I276 PolarHBondContact O-N 3.44Å; E273-I276 VanDerWaalsContact O-N 3.15Å; E273-R277 PolarHBondContact O-N 3.09Å; E273-R277 VanDerWaalsContact O-N 3.11Å; E273-R277 WeakPolarHBondContact OE1-CD 3.46Å; E273-Y337 HydrophobicContact CG-CE2 4.47Å; E273-Y337 WeakPolarHBondContact CG-OH 3.36Å; E273-Y337 PolarHBondContact OE1-OH 3.13Å
274V98.6Very high96.8Very high0 Ų027.9 Ų27.90%017%0.174CC..Hα-helixtrans-59.1-41.2177166.30000110.9I16 A194 Y196 V201 F203 D270 S271 R277 G278I16-V274 HydrophobicContact CD1-CG1 3.74Å; I16-V274 HydrophobicContact CG1-CG1 4.1Å; I16-V274 HydrophobicContact CG2-CG1 4.49Å; A194-V274 HydrophobicContact CB-CG2 3.75Å; Y196-V274 HydrophobicContact CD2-CB 4.26Å; Y196-V274 HydrophobicContact CD2-CG1 3.6Å; Y196-V274 HydrophobicContact CE2-CG1 4.36Å; Y196-V274 HydrophobicContact CG-CG1 3.75Å; V201-V274 HydrophobicContact CG2-CG1 4.3Å; F203-V274 HydrophobicContact CE2-CG2 4.3Å; F203-V274 HydrophobicContact CZ-CB 4.26Å; F203-V274 HydrophobicContact CZ-CG1 3.93Å; F203-V274 HydrophobicContact CZ-CG2 4.39Å; D270-V274 WeakPolarHBondContact O-CB 3.32Å; D270-V274 WeakPolarHBondContact O-CG2 3.16Å; D270-V274 PolarHBondContact O-N 3.41Å; S271-V274 PolarHBondContact O-N 3.46Å; V274-R277 PolarHBondContact O-N 3.32Å; V274-G278 PolarHBondContact O-N 2.89Å
275E98.7Very high96.2Very high3 Ų328.7 Ų28.71%0.01418%0.178CC..Hα-helixtrans-62.8-43.3175.4-76.6178.6-152.300112.5I16 S20 E21 H22 V23 Y196 S271 E273 R277 G278 C279I16-E275 HydrophobicContact CG2-CB 4.48Å; I16-E275 HydrophobicContact CG2-CG 4.19Å; S20-E275 VanDerWaalsContact OG-CD 3.27Å; S20-E275 WeakPolarHBondContact OG-CG 3.38Å; S20-E275 PolarHBondContact OG-OE2 2.87Å; E21-E275 PolarHBondContact N-OE2 3.22Å; H22-E275 WeakPolarHBondContact CB-OE2 3.49Å; H22-E275 PolarHBondContact N-OE2 2.93Å; V23-E275 HydrophobicContact CB-CB 4.31Å; V23-E275 HydrophobicContact CG2-CB 3.9Å; Y196-E275 HydrophobicContact CE2-CG 3.76Å; Y196-E275 VanDerWaalsContact OH-CG 3.3Å; Y196-E275 WeakPolarHBondContact OH-CG 3.39Å; Y196-E275 PolarHBondContact OH-OE1 3.35Å; S271-E275 WeakPolarHBondContact O-CB 3.48Å; S271-E275 VanDerWaalsContact O-CG 3.26Å; S271-E275 WeakPolarHBondContact O-CG 3.42Å; S271-E275 PolarHBondContact O-N 3.35Å; E273-E275 VanDerWaalsContact C-N 3.29Å; E273-E275 PolarHBondContact O-N 3.15Å; E275-R277 VanDerWaalsContact C-N 3.31Å; E275-R277 PolarHBondContact O-N 2.89Å; E275-G278 PolarHBondContact O-N 3.36Å; E275-C279 VanDerWaalsContact O-CB 3.28Å; E275-C279 WeakPolarHBondContact O-CB 3.45Å; E275-C279 PolarHBondContact O-N 3Å; E275-C279 PolarHBondContact O-SG 3.47Å; E275-C279 VanDerWaalsContact O-SG 3.38Å
276I98.4Very high96.1Very high0 Ų024.4 Ų24.40%016%0.156CC..Hα-helixtrans-57.1-48.1175.3-70.4162.1000110.5V23 P241 Y252 L256 M272 E273 S280 H330V23-I276 HydrophobicContact CG2-CG1 3.88Å; P241-I276 HydrophobicContact CB-CG2 3.5Å; P241-I276 HydrophobicContact CG-CG2 4.05Å; Y252-I276 HydrophobicContact CE1-CG1 3.99Å; Y252-I276 WeakPolarHBondContact OH-CG2 3.39Å; L256-I276 HydrophobicContact CD1-CD1 4.06Å; L256-I276 HydrophobicContact CD2-CD1 4.04Å; L256-I276 HydrophobicContact CD2-CG1 3.92Å; M272-I276 WeakPolarHBondContact O-CD1 3.4Å; M272-I276 VanDerWaalsContact O-CG1 3.25Å; M272-I276 WeakPolarHBondContact O-CG1 3.34Å; M272-I276 PolarHBondContact O-N 3.19Å; E273-I276 WeakPolarHBondContact O-CB 3.45Å; E273-I276 PolarHBondContact O-N 3.44Å; E273-I276 VanDerWaalsContact O-N 3.15Å; I276-S280 WeakPolarHBondContact O-CB 3.26Å; I276-S280 PolarHBondContact O-N 2.79Å; I276-S280 PolarHBondContact O-OG 3.39Å; I276-H330 HydrophobicContact CD1-CB 3.75Å; I276-H330 VanDerWaalsContact CG2-CE1 3.49Å; I276-H330 WeakPolarHBondContact CG2-CE1 3.38Å
277R98.1Very high95.9Very high0 Ų025 Ų250%016%0.159CC..Hα-helixtrans-70.9-44.4-177.8-62.4-178.784.4-177.70.4112.2D192 F203 A236 E273 V274 E275 S280 I281 Y337D192-R277 IonicContact OD1-CZ 3.57Å; D192-R277 IonicContact OD1-NH1 3.4Å; D192-R277 PolarHBondContact OD1-NH1 3.12Å; D192-R277 IonicContact OD1-NH2 3.69Å; D192-R277 IonicContact OD2-CZ 2.73Å; D192-R277 IonicContact OD2-NH1 3.32Å; D192-R277 PolarHBondContact OD2-NH1 3.4Å; D192-R277 IonicContact OD2-NH2 2.97Å; D192-R277 PolarHBondContact OD2-NH2 3.38Å; F203-R277 VanDerWaalsContact CB-NH2 3.34Å; F203-R277 HydrophobicContact CD1-CB 3.66Å; F203-R277 VanDerWaalsContact CD2-CZ 3.49Å; F203-R277 HydrophobicContact CE1-CB 3.33Å; F203-R277 HydrophobicContact CE1-CG 4.5Å; F203-R277 HydrophobicContact CE2-CB 4.28Å; F203-R277 HydrophobicContact CG-CB 4.28Å; F203-R277 HydrophobicContact CZ-CB 3.64Å; A236-R277 HydrophobicContact CB-CB 3.99Å; A236-R277 HydrophobicContact CB-CG 4.42Å; A236-R277 WeakPolarHBondContact CB-O 3.22Å; A236-R277 PolarHBondContact O-NE 2.92Å; A236-R277 PolarHBondContact O-NH2 3.42Å; E273-R277 PolarHBondContact O-N 3.09Å; E273-R277 VanDerWaalsContact O-N 3.11Å; E273-R277 WeakPolarHBondContact OE1-CD 3.46Å; V274-R277 PolarHBondContact O-N 3.32Å; E275-R277 VanDerWaalsContact C-N 3.31Å; E275-R277 PolarHBondContact O-N 2.89Å; R277-S280 WeakPolarHBondContact O-CB 3.41Å; R277-S280 PolarHBondContact O-N 2.79Å; R277-I281 PolarHBondContact O-N 3.34Å; R277-Y337 VanDerWaalsContact CD-OH 3.29Å; R277-Y337 WeakPolarHBondContact CD-OH 3.5Å
278G98.3Very high95.7Very high0 Ų027.3 Ų27.30%016%0.161CC..Hα-helixtrans-66.7-46-177.100000112.7G13 V274 E275 S280 I281 S282G13-G278 WeakPolarHBondContact CA-O 3.49Å; V274-G278 PolarHBondContact O-N 2.89Å; E275-G278 PolarHBondContact O-N 3.36Å; G278-S280 PolarHBondContact O-N 3.48Å; G278-I281 PolarHBondContact O-N 2.69Å; G278-S282 WeakPolarHBondContact O-CB 3.48Å; G278-S282 PolarHBondContact O-N 3.3Å
279C98.3Very high95.8Very high1 Ų126.9 Ų26.91%0.00715%0.152CC..Hα-helixtrans-66-29.9175-65.70000112.1V23 I25 L250 E275 S282 A283V23-C279 HydrophobicContact CB-CB 4.11Å; V23-C279 HydrophobicContact CG1-CB 3.48Å; V23-C279 VanDerWaalsContact CG1-CB 3.48Å; V23-C279 PolarHBondContact O-SG 3Å; I25-C279 HydrophobicContact CD1-CB 4.48Å; I25-C279 HydrophobicContact CG1-CB 4.24Å; L250-C279 HydrophobicContact CD2-CB 3.97Å; E275-C279 VanDerWaalsContact O-CB 3.28Å; E275-C279 WeakPolarHBondContact O-CB 3.45Å; E275-C279 PolarHBondContact O-N 3Å; E275-C279 PolarHBondContact O-SG 3.47Å; E275-C279 VanDerWaalsContact O-SG 3.38Å; C279-S282 PolarHBondContact O-N 2.9Å; C279-A283 PolarHBondContact O-N 3.26Å
280S97.8Very high95.7Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-61.7-55.9169.7-57.60000110P241 L250 I276 R277 G278 S282 A283P241-S280 VanDerWaalsContact CB-OG 3.23Å; P241-S280 WeakPolarHBondContact CB-OG 3.47Å; P241-S280 WeakPolarHBondContact CG-OG 3.46Å; L250-S280 WeakPolarHBondContact CD1-OG 3.5Å; I276-S280 WeakPolarHBondContact O-CB 3.26Å; I276-S280 PolarHBondContact O-N 2.79Å; I276-S280 PolarHBondContact O-OG 3.39Å; R277-S280 WeakPolarHBondContact O-CB 3.41Å; R277-S280 PolarHBondContact O-N 2.79Å; G278-S280 PolarHBondContact O-N 3.48Å; S280-S282 PolarHBondContact O-N 2.75Å; S280-S282 VanDerWaalsContact O-N 3.17Å; S280-A283 WeakPolarHBondContact O-CB 3.21Å; S280-A283 PolarHBondContact O-N 3.5Å
281I97.4Very high95.6Very high4 Ų426 Ų262%0.02114%0.135CC..Hα-helixtrans-55.6-37.4178.7-68.3-179.5000112.3P9 F203 T233 M234 A236 R277 G278 A283 V284P9-I281 HydrophobicContact CB-CD1 4.23Å; P9-I281 WeakPolarHBondContact O-CG2 3.45Å; F203-I281 HydrophobicContact CB-CD1 4.49Å; F203-I281 HydrophobicContact CD1-CD1 3.71Å; T233-I281 HydrophobicContact CG2-CG2 3.99Å; M234-I281 HydrophobicContact CG-CB 4.46Å; M234-I281 HydrophobicContact CG-CG1 3.97Å; A236-I281 HydrophobicContact CB-CD1 4.31Å; A236-I281 HydrophobicContact CB-CG1 3.87Å; R277-I281 PolarHBondContact O-N 3.34Å; G278-I281 PolarHBondContact O-N 2.69Å; I281-A283 PolarHBondContact O-N 2.86Å; I281-V284 VanDerWaalsContact O-CG1 3.31Å; I281-V284 WeakPolarHBondContact O-CG1 3.48Å
282S97.3Very high95.5Very high23 Ų2327.8 Ų27.816%0.16114%0.136CC..THydrogen-bonded Turntrans-73.7-8.3178.8-169.60000114.3G13 S17 G278 C279 S280 V284G13-S282 WeakPolarHBondContact O-CB 3.15Å; S17-S282 WeakPolarHBondContact CB-OG 3.24Å; S17-S282 WeakPolarHBondContact OG-CB 3.48Å; S17-S282 PolarHBondContact OG-OG 3.34Å; G278-S282 WeakPolarHBondContact O-CB 3.48Å; G278-S282 PolarHBondContact O-N 3.3Å; C279-S282 PolarHBondContact O-N 2.9Å; S280-S282 PolarHBondContact O-N 2.75Å; S280-S282 VanDerWaalsContact O-N 3.17Å; S282-V284 PolarHBondContact O-N 2.91Å
283A93.8Very high95.4Very high6 Ų627.6 Ų27.65%0.0514%0.135CC..  trans-73.241.4173.500000112.1I30 L244 C279 S280 I281 E285 I286I30-A283 HydrophobicContact CD1-CB 3.67Å; L244-A283 HydrophobicContact CD1-CB 4.34Å; C279-A283 PolarHBondContact O-N 3.26Å; S280-A283 WeakPolarHBondContact O-CB 3.21Å; S280-A283 PolarHBondContact O-N 3.5Å; I281-A283 PolarHBondContact O-N 2.86Å; A283-E285 PolarHBondContact O-N 3.1Å; A283-I286 HydrophobicContact CB-CD1 3.74Å; A283-I286 HydrophobicContact CB-CG1 4.39Å; A283-I286 WeakPolarHBondContact O-CB 3.13Å; A283-I286 WeakPolarHBondContact O-CD1 3.25Å; A283-I286 VanDerWaalsContact O-CG1 3.32Å; A283-I286 WeakPolarHBondContact O-CG1 3.45Å; A283-I286 PolarHBondContact O-N 3.03Å
284V81.3Confident95.3Very high66 Ų6627.7 Ų27.740%0.414%0.136SC..THydrogen-bonded Turntrans-63.8-28.5-174-62.10000112.8I281 S282 I286 L287I281-V284 VanDerWaalsContact O-CG1 3.31Å; I281-V284 WeakPolarHBondContact O-CG1 3.48Å; S282-V284 PolarHBondContact O-N 2.91Å; V284-I286 PolarHBondContact O-N 3.1Å; V284-I286 VanDerWaalsContact O-N 3.13Å; V284-L287 PolarHBondContact O-N 2.98Å
285E85.6Confident95.2Very high98 Ų9835.2 Ų35.246%0.45817%0.171SC..Hα-helixtrans-57.5-25.9177.3-71.8175.2176.400112.3I30 A283 L287 E288 E289I30-E285 HydrophobicContact CG2-CB 3.65Å; A283-E285 PolarHBondContact O-N 3.1Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.97Å; E285-E288 PolarHBondContact O-N 2.8Å; E285-E289 WeakPolarHBondContact O-CB 3.43Å; E285-E289 PolarHBondContact O-N 3.22Å
286I93.7Very high95.1Very high6 Ų640.8 Ų40.83%0.03120%0.197CC..Hα-helixtrans-54.9-45.8173.8-64.6168.6000110.5I30 V33 V37 L244 A283 V284 S290 V308I30-I286 HydrophobicContact CB-CG1 4.48Å; I30-I286 HydrophobicContact CD1-CD1 3.91Å; I30-I286 HydrophobicContact CD1-CG1 3.59Å; I30-I286 HydrophobicContact CG2-CG1 3.94Å; V33-I286 HydrophobicContact CB-CD1 4.15Å; V33-I286 HydrophobicContact CB-CG1 4.22Å; V33-I286 HydrophobicContact CB-CG2 4.28Å; V33-I286 HydrophobicContact CG1-CD1 3.94Å; V33-I286 HydrophobicContact CG1-CG1 4.28Å; V33-I286 HydrophobicContact CG1-CG2 3.73Å; V37-I286 HydrophobicContact CG2-CG2 4.41Å; L244-I286 HydrophobicContact CD2-CD1 3.54Å; A283-I286 HydrophobicContact CB-CD1 3.74Å; A283-I286 HydrophobicContact CB-CG1 4.39Å; A283-I286 WeakPolarHBondContact O-CB 3.13Å; A283-I286 WeakPolarHBondContact O-CD1 3.25Å; A283-I286 VanDerWaalsContact O-CG1 3.32Å; A283-I286 WeakPolarHBondContact O-CG1 3.45Å; A283-I286 PolarHBondContact O-N 3.03Å; V284-I286 PolarHBondContact O-N 3.1Å; V284-I286 VanDerWaalsContact O-N 3.13Å; I286-S290 VanDerWaalsContact O-CB 3.25Å; I286-S290 WeakPolarHBondContact O-CB 3.08Å; I286-S290 PolarHBondContact O-N 3.25Å; I286-S290 PolarHBondContact O-OG 3.49Å; I286-V308 HydrophobicContact CG2-CG1 3.98Å
287L93.9Very high95Very high18 Ų1844.7 Ų44.79%0.09422%0.218CC..Hα-helixtrans-68.7-47.6-177.4175.960.5000111V284 E285 S290 R291 L303 V308V284-L287 PolarHBondContact O-N 2.98Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.97Å; L287-S290 PolarHBondContact O-N 3.42Å; L287-R291 HydrophobicContact CD1-CG 4.28Å; L287-R291 WeakPolarHBondContact O-CG 3.33Å; L287-R291 PolarHBondContact O-N 3.07Å; L287-L303 HydrophobicContact CD1-CB 3.73Å; L287-V308 HydrophobicContact CD1-CG2 3.89Å
288E94.5Very high94.8Very high103 Ų10351.9 Ų51.948%0.48126%0.257SS..Hα-helixtrans-66.9-44-177.3-62.3-52.8135.400111.8E285 S290 R291 Q292E285-E288 PolarHBondContact O-N 2.8Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 3.09Å; E288-R291 PolarHBondContact O-N 3.43Å; E288-R291 IonicContact OE1-CZ 3.67Å; E288-R291 IonicContact OE1-NH1 2.87Å; E288-R291 PolarHBondContact OE1-NH1 3.28Å; E288-Q292 WeakPolarHBondContact O-CB 2.81Å; E288-Q292 PolarHBondContact O-N 2.75Å
289E96.4Very high94.5Very high48 Ų4853.1 Ų53.122%0.22426%0.264CS..Hα-helixtrans-62.5-38.9173.3-76.2-167.4-137.200111.8I30 H31 A34 E285 Q292 L293I30-E289 WeakPolarHBondContact CG2-OE1 3.46Å; H31-E289 WeakPolarHBondContact CA-OE2 3.45Å; H31-E289 IonicContact CG-OE2 2.77Å; H31-E289 IonicContact ND1-OE2 2.61Å; H31-E289 PolarHBondContact ND1-OE2 3.47Å; A34-E289 HydrophobicContact CB-CB 3.56Å; E285-E289 WeakPolarHBondContact O-CB 3.43Å; E285-E289 PolarHBondContact O-N 3.22Å; E289-Q292 PolarHBondContact O-N 3.21Å; E289-L293 WeakPolarHBondContact O-CB 3.18Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.19Å; E289-L293 PolarHBondContact O-N 3.28Å
290S95.7Very high94Very high0 Ų061.1 Ų61.10%031%0.307CS..Hα-helixtrans-63.9-42.5176.4-58.80000111.7A34 V37 I286 L287 E288 L293 C294A34-S290 VanDerWaalsContact CA-OG 3.3Å; A34-S290 WeakPolarHBondContact CA-OG 3.43Å; A34-S290 PolarHBondContact O-OG 2.68Å; V37-S290 WeakPolarHBondContact CB-OG 3.42Å; V37-S290 WeakPolarHBondContact CG1-OG 3.29Å; I286-S290 VanDerWaalsContact O-CB 3.25Å; I286-S290 WeakPolarHBondContact O-CB 3.08Å; I286-S290 PolarHBondContact O-N 3.25Å; I286-S290 PolarHBondContact O-OG 3.49Å; L287-S290 PolarHBondContact O-N 3.42Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 3.09Å; S290-L293 PolarHBondContact O-N 3.37Å; S290-C294 PolarHBondContact O-N 3.32Å
291R95.3Very high93.5Very high72 Ų7262.8 Ų62.827%0.27232%0.318SS..Hα-helixtrans-62.4-45.6175.8-76.5172170173.6-8.9110.8D230 L287 E288 C294 Q295 L303D230-R291 IonicContact OD1-NH2 2.67Å; D230-R291 PolarHBondContact OD1-NH2 2.87Å; L287-R291 HydrophobicContact CD1-CG 4.28Å; L287-R291 WeakPolarHBondContact O-CG 3.33Å; L287-R291 PolarHBondContact O-N 3.07Å; E288-R291 PolarHBondContact O-N 3.43Å; E288-R291 IonicContact OE1-CZ 3.67Å; E288-R291 IonicContact OE1-NH1 2.87Å; E288-R291 PolarHBondContact OE1-NH1 3.28Å; R291-C294 PolarHBondContact O-N 2.92Å; R291-Q295 WeakPolarHBondContact O-CB 3.47Å; R291-Q295 PolarHBondContact O-N 2.62Å; R291-L303 HydrophobicContact CG-CB 4.25Å; R291-L303 VanDerWaalsContact CZ-O 3.27Å; R291-L303 PolarHBondContact NE-O 2.92Å; R291-L303 PolarHBondContact NH2-O 3.15Å
292Q96.2Very high93Very high104 Ų10467.1 Ų67.149%0.48634%0.341SS..Hα-helixtrans-59.4-48.7176.4-178.1178.2-7.600111.4E288 E289 C294 Q295 E296E288-Q292 WeakPolarHBondContact O-CB 2.81Å; E288-Q292 PolarHBondContact O-N 2.75Å; E289-Q292 PolarHBondContact O-N 3.21Å; Q292-C294 VanDerWaalsContact C-N 3.35Å; Q292-C294 PolarHBondContact O-N 2.9Å; Q292-Q295 PolarHBondContact O-N 2.89Å; Q292-Q295 VanDerWaalsContact O-N 3.16Å; Q292-E296 HydrophobicContact CG-CG 4.27Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.25Å; Q292-E296 PolarHBondContact NE2-OE1 2.98Å; Q292-E296 WeakPolarHBondContact O-CB 3.34Å; Q292-E296 WeakPolarHBondContact O-CG 3.14Å; Q292-E296 PolarHBondContact O-N 3.45Å
293L97Very high92.7Very high27 Ų2766.2 Ų66.214%0.14133%0.334CS..Hα-helixtrans-60.7-41.4177.4-71.8167.6000112.2A34 K35 Y38 E289 S290 N297A34-L293 HydrophobicContact CB-CD1 4.46Å; K35-L293 HydrophobicContact CD-CD1 4.42Å; Y38-L293 HydrophobicContact CD2-CB 3.73Å; Y38-L293 HydrophobicContact CE2-CB 4.42Å; Y38-L293 WeakPolarHBondContact CE2-O 3.47Å; Y38-L293 HydrophobicContact CG-CB 3.86Å; Y38-L293 HydrophobicContact CG-CD1 4.49Å; E289-L293 WeakPolarHBondContact O-CB 3.18Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.19Å; E289-L293 PolarHBondContact O-N 3.28Å; S290-L293 PolarHBondContact O-N 3.37Å; L293-N297 WeakPolarHBondContact O-CB 3.42Å; L293-N297 PolarHBondContact O-N 3.1Å; L293-N297 PolarHBondContact O-ND2 2.93Å
294C95.7Very high92.7Very high3 Ų366.1 Ų66.12%0.0233%0.333CS..Hα-helixtrans-59.3-49.5173.1-87.30000110.9S290 R291 Q292 N297 N298 V299 C301S290-C294 PolarHBondContact O-N 3.32Å; R291-C294 PolarHBondContact O-N 2.92Å; Q292-C294 VanDerWaalsContact C-N 3.35Å; Q292-C294 PolarHBondContact O-N 2.9Å; C294-N297 CarbonylContact O-C 3.54Å; C294-N297 PolarHBondContact O-N 3.02Å; C294-N298 PolarHBondContact O-N 3.25Å; C294-V299 HydrophobicContact CB-CB 4.21Å; C294-V299 WeakPolarHBondContact CB-O 3.44Å; C294-V299 PolarHBondContact O-N 3.11Å; C294-C301 HydrophobicContact CB-CB 4.43Å; C294-C301 WeakPolarHBondContact CB-SG 3.3Å; C294-C301 WeakPolarHBondContact SG-CB 3.49Å; C294-C301 CovalentContact SG-SG 2.07Å; C294-C301 PolarHBondContact SG-SG 3.27Å
295Q95.6Very high93.3Very high158 Ų15863.7 Ų63.774%0.73832%0.32SS*.Hα-helixtrans-62.1-49.6-177.3-175.3179.26.600112.1R291 Q292 N297 N298R291-Q295 WeakPolarHBondContact O-CB 3.47Å; R291-Q295 PolarHBondContact O-N 2.62Å; Q292-Q295 PolarHBondContact O-N 2.89Å; Q292-Q295 VanDerWaalsContact O-N 3.16Å; Q295-N297 PolarHBondContact O-N 3.31Å; Q295-N298 PolarHBondContact O-N 2.91Å
296E96.4Very high93.6Very high119 Ų11959.2 Ų59.256%0.55630%0.3SS*.Hα-helixtrans-61-29.1179.8-72.3175.1176.300112.8Q292Q292-E296 HydrophobicContact CG-CG 4.27Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.25Å; Q292-E296 PolarHBondContact NE2-OE1 2.98Å; Q292-E296 WeakPolarHBondContact O-CB 3.34Å; Q292-E296 WeakPolarHBondContact O-CG 3.14Å; Q292-E296 PolarHBondContact O-N 3.45Å
297N96.3Very high93.5Very high82 Ų8259 Ų5944%0.43930%0.299SS..THydrogen-bonded Turntrans-105.111.6-177.4-66.9-89.5000113.5Y38 L293 C294 Q295 V299Y38-N297 HydrophobicContact CE2-CB 3.84Å; Y38-N297 WeakPolarHBondContact OH-CB 3.45Å; L293-N297 WeakPolarHBondContact O-CB 3.42Å; L293-N297 PolarHBondContact O-N 3.1Å; L293-N297 PolarHBondContact O-ND2 2.93Å; C294-N297 CarbonylContact O-C 3.54Å; C294-N297 PolarHBondContact O-N 3.02Å; Q295-N297 PolarHBondContact O-N 3.31Å; N297-V299 HydrophobicContact CB-CG2 4.24Å; N297-V299 PolarHBondContact O-N 3.27Å
298N94.5Very high93.5Very high152 Ų15258.7 Ų58.781%0.81330%0.298SS*.THydrogen-bonded Turntrans52.535.3-178.5-57.8-71.7000114C294 Q295C294-N298 PolarHBondContact O-N 3.25Å; Q295-N298 PolarHBondContact O-N 2.91Å
299V93Very high93.4Very high25 Ų2554.3 Ų54.315%0.15228%0.278CS..  trans-86.6112.6173.11790000107.9Y38 A41 K42 C294 N297 C301Y38-V299 HydrophobicContact CE2-CB 4.42Å; Y38-V299 HydrophobicContact CE2-CG2 3.68Å; A41-V299 HydrophobicContact CB-CG1 4.08Å; K42-V299 HydrophobicContact CB-CG1 4.43Å; K42-V299 HydrophobicContact CB-CG2 4.23Å; K42-V299 HydrophobicContact CG-CG2 4.33Å; C294-V299 HydrophobicContact CB-CB 4.21Å; C294-V299 WeakPolarHBondContact CB-O 3.44Å; C294-V299 PolarHBondContact O-N 3.11Å; N297-V299 HydrophobicContact CB-CG2 4.24Å; N297-V299 PolarHBondContact O-N 3.27Å; V299-C301 HydrophobicContact CG1-CB 4.44Å; V299-C301 PolarHBondContact O-N 2.85Å; V299-C301 VanDerWaalsContact O-N 3.12Å
300N87.5Confident93.1Very high169 Ų16955.1 Ų55.190%0.90428%0.279SS*.  trans-72.6105177-17422.9000109.8
301C85.7Confident92.9Very high35 Ų3555.6 Ų55.624%0.23628%0.281CS..  trans-142.7134.9-17877.80000108.8A41 C294 V299 L303A41-C301 HydrophobicContact CB-CB 3.96Å; C294-C301 HydrophobicContact CB-CB 4.43Å; C294-C301 WeakPolarHBondContact CB-SG 3.3Å; C294-C301 WeakPolarHBondContact SG-CB 3.49Å; C294-C301 CovalentContact SG-SG 2.07Å; C294-C301 PolarHBondContact SG-SG 3.27Å; V299-C301 HydrophobicContact CG1-CB 4.44Å; V299-C301 PolarHBondContact O-N 2.85Å; V299-C301 VanDerWaalsContact O-N 3.12Å; C301-L303 HydrophobicContact CB-CD2 4.44Å; C301-L303 HydrophobicContact CB-CG 4.24Å; C301-L303 VanDerWaalsContact SG-CG 3.57Å
302N87.5Confident92.8Very high96 Ų9652.3 Ų52.351%0.51327%0.269SS..  trans-107.789.5171.9-174-0.3000108.6Q48Q48-N302 VanDerWaalsContact NE2-CB 3.27Å; Q48-N302 PolarHBondContact NE2-ND2 3.41Å
303L91.6Very high92.6Very high3 Ų350.1 Ų50.12%0.01626%0.256CS..  trans-93.6136.6-176.7-59.7178.3000110.4V37 L46 L287 R291 C301 V307V37-L303 HydrophobicContact CG1-CD1 4.04Å; V37-L303 HydrophobicContact CG1-CD2 4.43Å; L46-L303 HydrophobicContact CD1-CD2 3.63Å; L287-L303 HydrophobicContact CD1-CB 3.73Å; R291-L303 HydrophobicContact CG-CB 4.25Å; R291-L303 VanDerWaalsContact CZ-O 3.27Å; R291-L303 PolarHBondContact NE-O 2.92Å; R291-L303 PolarHBondContact NH2-O 3.15Å; C301-L303 HydrophobicContact CB-CD2 4.44Å; C301-L303 HydrophobicContact CB-CG 4.24Å; C301-L303 VanDerWaalsContact SG-CG 3.57Å; L303-V307 HydrophobicContact CD2-CG1 4.01Å
304N93.1Very high92.2Very high4 Ų450.2 Ų50.22%0.02126%0.258CS..  trans-137.7177162.465.140.4000109.1Y216 D230 S306 V307 V308Y216-N304 VanDerWaalsContact OH-CG 3.3Å; Y216-N304 PolarHBondContact OH-ND2 2.97Å; Y216-N304 PolarHBondContact OH-OD1 3.42Å; D230-N304 WeakPolarHBondContact OD1-CB 3.49Å; N304-S306 PolarHBondContact O-N 3.21Å; N304-S306 VanDerWaalsContact O-N 3.16Å; N304-S306 WeakPolarHBondContact OD1-CA 3.39Å; N304-S306 WeakPolarHBondContact OD1-CB 3.38Å; N304-S306 PolarHBondContact OD1-N 3.42Å; N304-V307 PolarHBondContact O-N 2.82Å; N304-V307 PolarHBondContact OD1-N 2.97Å; N304-V307 VanDerWaalsContact OD1-N 3.09Å; N304-V308 PolarHBondContact O-N 3.39Å; N304-V308 VanDerWaalsContact O-N 3.14Å
305A93.8Very high92Very high16 Ų1652.4 Ų52.413%0.13227%0.266CS..Hα-helixtrans-57.6-32.8-176.700000113.4D309A305-D309 WeakPolarHBondContact O-CB 3.48Å; A305-D309 PolarHBondContact O-N 3.13Å
306S92.5Very high91.8Very high3 Ų345 Ų452%0.02123%0.231CC..Hα-helixtrans-72.4-40.6-179.6-50.20000112.1F235 N304 V308 D309 Y310F235-S306 WeakPolarHBondContact CZ-OG 3.42Å; N304-S306 PolarHBondContact O-N 3.21Å; N304-S306 VanDerWaalsContact O-N 3.16Å; N304-S306 WeakPolarHBondContact OD1-CA 3.39Å; N304-S306 WeakPolarHBondContact OD1-CB 3.38Å; N304-S306 PolarHBondContact OD1-N 3.42Å; S306-V308 VanDerWaalsContact C-N 3.35Å; S306-D309 PolarHBondContact O-N 3.32Å; S306-Y310 WeakPolarHBondContact O-CB 3.4Å; S306-Y310 PolarHBondContact O-N 3.36Å
307V91.8Very high91.3Very high3 Ų340.9 Ų40.92%0.01822%0.218CC..Hα-helixtrans-63.1-44.2175.5178.80000110.3L46 L50 Y216 L303 N304 Y310 F311L46-V307 HydrophobicContact CB-CG1 4.31Å; L50-V307 HydrophobicContact CD1-CG1 4.23Å; Y216-V307 HydrophobicContact CE1-CG2 4.36Å; Y216-V307 WeakPolarHBondContact OH-CG2 3.31Å; L303-V307 HydrophobicContact CD2-CG1 4.01Å; N304-V307 PolarHBondContact O-N 2.82Å; N304-V307 PolarHBondContact OD1-N 2.97Å; N304-V307 VanDerWaalsContact OD1-N 3.09Å; V307-Y310 PolarHBondContact O-N 2.91Å; V307-F311 PolarHBondContact O-N 3.48Å
308V92.8Very high91Very high11 Ų1144.3 Ų44.37%0.06723%0.229CC..Hα-helixtrans-63.1-46.6176.8175.40000110.8V37 I286 L287 N304 S306 Y310 F311 L312V37-V308 HydrophobicContact CG1-CG2 4.12Å; V37-V308 HydrophobicContact CG2-CG1 4.06Å; I286-V308 HydrophobicContact CG2-CG1 3.98Å; L287-V308 HydrophobicContact CD1-CG2 3.89Å; N304-V308 PolarHBondContact O-N 3.39Å; N304-V308 VanDerWaalsContact O-N 3.14Å; S306-V308 VanDerWaalsContact C-N 3.35Å; V308-Y310 PolarHBondContact O-N 2.95Å; V308-F311 WeakPolarHBondContact O-CB 3.45Å; V308-F311 PolarHBondContact O-N 3.48Å; V308-L312 HydrophobicContact CG1-CD1 3.98Å; V308-L312 HydrophobicContact CG1-CG 4.33Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.38Å; V308-L312 PolarHBondContact O-N 3.25Å
309D93.4Very high90.9Very high11 Ų1140.2 Ų40.26%0.05921%0.205CC..Hα-helixtrans-57.4-47.7177.8-172.692.6000112M234 F235 A305 S306 F311 L312 W313M234-D309 HydrophobicContact CB-CB 4.24Å; F235-D309 HydrophobicContact CD2-CB 4.17Å; F235-D309 VanDerWaalsContact CD2-OD2 3.25Å; F235-D309 WeakPolarHBondContact CD2-OD2 3.34Å; F235-D309 PolarHBondContact N-OD1 3.27Å; A305-D309 WeakPolarHBondContact O-CB 3.48Å; A305-D309 PolarHBondContact O-N 3.13Å; S306-D309 PolarHBondContact O-N 3.32Å; D309-F311 PolarHBondContact O-N 3.36Å; D309-L312 PolarHBondContact O-N 2.84Å; D309-W313 WeakPolarHBondContact O-CB 3.46Å; D309-W313 PolarHBondContact O-N 3.34Å
310Y90.3Very high90.7Very high64 Ų6442.3 Ų42.325%0.25121%0.21SC..Hα-helixtrans-61.7-43.1178.8-174.5-90.3000112.3L50 S306 V307 V308 L312 W313 T314L50-Y310 HydrophobicContact CB-CD1 3.81Å; L50-Y310 HydrophobicContact CB-CE1 3.64Å; L50-Y310 HydrophobicContact CB-CG 4.29Å; L50-Y310 HydrophobicContact CD1-CD1 3.51Å; L50-Y310 HydrophobicContact CD1-CE1 4.15Å; L50-Y310 HydrophobicContact CD1-CG 3.97Å; L50-Y310 HydrophobicContact CD2-CD1 3.65Å; L50-Y310 HydrophobicContact CD2-CE1 3.5Å; L50-Y310 VanDerWaalsContact CD2-CE1 3.5Å; L50-Y310 HydrophobicContact CG-CD1 3.8Å; L50-Y310 HydrophobicContact CG-CE1 3.89Å; S306-Y310 WeakPolarHBondContact O-CB 3.4Å; S306-Y310 PolarHBondContact O-N 3.36Å; V307-Y310 PolarHBondContact O-N 2.91Å; V308-Y310 PolarHBondContact O-N 2.95Å; Y310-L312 PolarHBondContact O-N 2.82Å; Y310-W313 HydrophobicContact CE2-CE3 4.42Å; Y310-W313 HydrophobicContact CE2-CZ3 4.43Å; Y310-W313 PolarHBondContact O-N 3.17Å; Y310-T314 HydrophobicContact CD1-CG2 3.87Å; Y310-T314 HydrophobicContact CE1-CG2 3.4Å; Y310-T314 VanDerWaalsContact CE1-CG2 3.4Å; Y310-T314 HydrophobicContact CE2-CG2 4.27Å; Y310-T314 WeakPolarHBondContact O-CG2 3.5Å; Y310-T314 PolarHBondContact O-N 3.18Å; Y310-T314 PolarHBondContact O-OG1 3.05Å
311F91.4Very high90.8Very high11 Ų1137.7 Ų37.75%0.04820%0.195CC..Hα-helixtrans-57.5-49.7173.6168.5-108000111.6A36 V37 A40 L46 V307 V308 D309 W313 T314 Y315A36-F311 HydrophobicContact CB-CE1 4.35Å; A36-F311 HydrophobicContact CB-CZ 4.46Å; V37-F311 HydrophobicContact CB-CD1 4.47Å; V37-F311 HydrophobicContact CB-CE1 4.46Å; V37-F311 HydrophobicContact CG2-CD1 3.7Å; V37-F311 HydrophobicContact CG2-CE1 3.86Å; A40-F311 HydrophobicContact CB-CD2 3.76Å; A40-F311 HydrophobicContact CB-CE2 3.26Å; A40-F311 HydrophobicContact CB-CZ 3.71Å; L46-F311 HydrophobicContact CD2-CB 3.54Å; L46-F311 HydrophobicContact CD2-CD2 3.61Å; L46-F311 HydrophobicContact CD2-CG 3.72Å; V307-F311 PolarHBondContact O-N 3.48Å; V308-F311 WeakPolarHBondContact O-CB 3.45Å; V308-F311 PolarHBondContact O-N 3.48Å; D309-F311 PolarHBondContact O-N 3.36Å; F311-W313 VanDerWaalsContact C-N 3.3Å; F311-W313 PolarHBondContact O-N 3.04Å; F311-T314 WeakPolarHBondContact CA-OG1 3.34Å; F311-T314 PolarHBondContact O-N 3.04Å; F311-T314 PolarHBondContact O-OG1 3.38Å; F311-Y315 HydrophobicContact CE2-CD2 4.31Å; F311-Y315 AromaticContact CZ-CD2 3.97Å; F311-Y315 HydrophobicContact CZ-CD2 3.97Å; F311-Y315 VanDerWaalsContact O-CB 3.26Å; F311-Y315 WeakPolarHBondContact O-CB 3.4Å; F311-Y315 PolarHBondContact O-N 2.94Å
312L92.7Very high91.2Very high2 Ų240.4 Ų40.41%0.0121%0.205CC..Hα-helixtrans-62.5-40179.7-66.1177.3000111.4V33 V240 L243 L244 V308 D309 Y310 C316V33-L312 HydrophobicContact CG1-CD1 4.32Å; V33-L312 HydrophobicContact CG1-CD2 3.67Å; V240-L312 HydrophobicContact CG1-CB 3.85Å; V240-L312 HydrophobicContact CG1-CD1 3.71Å; V240-L312 HydrophobicContact CG1-CG 4.45Å; L243-L312 HydrophobicContact CD2-CB 3.91Å; L243-L312 HydrophobicContact CD2-CD2 3.79Å; L243-L312 HydrophobicContact CD2-CG 4.45Å; L243-L312 WeakPolarHBondContact CD2-O 3.37Å; L244-L312 HydrophobicContact CD2-CD1 4.03Å; V308-L312 HydrophobicContact CG1-CD1 3.98Å; V308-L312 HydrophobicContact CG1-CG 4.33Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.38Å; V308-L312 PolarHBondContact O-N 3.25Å; D309-L312 PolarHBondContact O-N 2.84Å; Y310-L312 PolarHBondContact O-N 2.82Å; L312-C316 VanDerWaalsContact O-CB 3.31Å; L312-C316 WeakPolarHBondContact O-CB 3.45Å; L312-C316 PolarHBondContact O-N 3.41Å
313W91.5Very high91.5Very high58 Ų5835.9 Ų35.922%0.2218%0.18CC..Hα-helixtrans-64-46.4176.6-178.586.2000112.4Y97 L98 V240 D309 Y310 F311 C316 A317Y97-W313 AromaticContact CD1-CH2 3.75Å; Y97-W313 HydrophobicContact CD1-CH2 3.75Å; Y97-W313 AromaticContact CD1-CZ2 3.88Å; Y97-W313 HydrophobicContact CD1-CZ2 3.88Å; Y97-W313 HydrophobicContact CE1-CH2 4.3Å; Y97-W313 HydrophobicContact CG-CZ2 4.46Å; L98-W313 HydrophobicContact CD1-CH2 4.38Å; L98-W313 HydrophobicContact CD2-CH2 3.93Å; L98-W313 HydrophobicContact CD2-CZ3 4.49Å; L98-W313 HydrophobicContact CG-CH2 3.99Å; V240-W313 HydrophobicContact CG2-CB 4.25Å; D309-W313 WeakPolarHBondContact O-CB 3.46Å; D309-W313 PolarHBondContact O-N 3.34Å; Y310-W313 HydrophobicContact CE2-CE3 4.42Å; Y310-W313 HydrophobicContact CE2-CZ3 4.43Å; Y310-W313 PolarHBondContact O-N 3.17Å; F311-W313 VanDerWaalsContact C-N 3.3Å; F311-W313 PolarHBondContact O-N 3.04Å; W313-C316 PolarHBondContact O-N 3.27Å; W313-A317 PolarHBondContact O-N 3.45Å
314T89.5Confident91.4Very high29 Ų2938.8 Ų38.818%0.17820%0.195CC..Hα-helixtrans-67.9-39.2177.752.80000112.3Y310 F311 C316 A317 K318Y310-T314 HydrophobicContact CD1-CG2 3.87Å; Y310-T314 HydrophobicContact CE1-CG2 3.4Å; Y310-T314 VanDerWaalsContact CE1-CG2 3.4Å; Y310-T314 HydrophobicContact CE2-CG2 4.27Å; Y310-T314 WeakPolarHBondContact O-CG2 3.5Å; Y310-T314 PolarHBondContact O-N 3.18Å; Y310-T314 PolarHBondContact O-OG1 3.05Å; F311-T314 WeakPolarHBondContact CA-OG1 3.34Å; F311-T314 PolarHBondContact O-N 3.04Å; F311-T314 PolarHBondContact O-OG1 3.38Å; T314-C316 PolarHBondContact O-N 3.35Å; T314-A317 WeakPolarHBondContact O-CB 3.37Å; T314-A317 PolarHBondContact O-N 3.31Å; T314-A317 VanDerWaalsContact O-N 3.1Å; T314-K318 PolarHBondContact O-N 3.33Å
315Y91.5Very high91.3Very high50 Ų5048.6 Ų48.620%0.19623%0.232CC..Hα-helixtrans-57.9-48.6172.5-172.5-76.7000110.7L243 F247 F311 A317 K318 H319L243-Y315 HydrophobicContact CD1-CD1 3.67Å; L243-Y315 HydrophobicContact CD1-CE1 3.98Å; L243-Y315 HydrophobicContact CD2-CD1 3.77Å; L243-Y315 HydrophobicContact CD2-CG 4.2Å; L243-Y315 HydrophobicContact CG-CD1 4.38Å; F247-Y315 HydrophobicContact CE2-CD1 4.35Å; F247-Y315 HydrophobicContact CE2-CE1 4.09Å; F247-Y315 HydrophobicContact CZ-CD1 4.43Å; F247-Y315 AromaticContact CZ-CE1 3.8Å; F247-Y315 HydrophobicContact CZ-CE1 3.8Å; F247-Y315 HydrophobicContact CZ-CE2 4.37Å; F247-Y315 AromaticContact CZ-CZ 3.77Å; F311-Y315 HydrophobicContact CE2-CD2 4.31Å; F311-Y315 AromaticContact CZ-CD2 3.97Å; F311-Y315 HydrophobicContact CZ-CD2 3.97Å; F311-Y315 VanDerWaalsContact O-CB 3.26Å; F311-Y315 WeakPolarHBondContact O-CB 3.4Å; F311-Y315 PolarHBondContact O-N 2.94Å; Y315-A317 PolarHBondContact O-N 3.32Å; Y315-K318 PolarHBondContact O-N 3.22Å; Y315-H319 HydrophobicContact CD1-CB 4.31Å; Y315-H319 AromaticContact CD1-CD2 3.72Å; Y315-H319 AromaticContact CD2-CD2 3.94Å; Y315-H319 HydrophobicContact CE1-CB 3.97Å; Y315-H319 AromaticContact CE1-CD2 3.5Å; Y315-H319 VanDerWaalsContact CE1-CD2 3.5Å; Y315-H319 WeakPolarHBondContact CE1-CD2 3.38Å; Y315-H319 AromaticContact CE1-CG 3.72Å; Y315-H319 AromaticContact CE2-CD2 3.74Å; Y315-H319 AromaticContact CE2-NE2 3.75Å; Y315-H319 AromaticContact CG-CD2 3.93Å; Y315-H319 AromaticContact CZ-CD2 3.5Å; Y315-H319 AromaticContact CZ-CG 3.92Å; Y315-H319 AromaticContact CZ-NE2 3.76Å; Y315-H319 PolarHBondContact O-CD2 3.42Å; Y315-H319 PolarHBondContact O-N 3.14Å
316C90.2Very high91.1Very high1 Ų151.4 Ų51.41%0.00725%0.251CS..Hα-helixtrans-60.7-32.1176.6-171.10000112.2L243 L312 W313 T314 R320L243-C316 HydrophobicContact CB-CB 4.41Å; L243-C316 HydrophobicContact CD2-CB 4.25Å; L312-C316 VanDerWaalsContact O-CB 3.31Å; L312-C316 WeakPolarHBondContact O-CB 3.45Å; L312-C316 PolarHBondContact O-N 3.41Å; W313-C316 PolarHBondContact O-N 3.27Å; T314-C316 PolarHBondContact O-N 3.35Å; C316-R320 WeakPolarHBondContact O-CA 3.46Å; C316-R320 WeakPolarHBondContact O-CB 3.32Å; C316-R320 PolarHBondContact O-N 3.32Å; C316-R320 VanDerWaalsContact O-N 3.12Å
317A87.8Confident91Very high34 Ų3451.6 Ų51.628%0.28125%0.252SS..Hα-helixtrans-70.1-45.2174.100000112.6W313 T314 Y315 R320W313-A317 PolarHBondContact O-N 3.45Å; T314-A317 WeakPolarHBondContact O-CB 3.37Å; T314-A317 PolarHBondContact O-N 3.31Å; T314-A317 VanDerWaalsContact O-N 3.1Å; Y315-A317 PolarHBondContact O-N 3.32Å; A317-R320 WeakPolarHBondContact O-CB 3.39Å
318K89.1Confident91.1Very high153 Ų15353.3 Ų53.367%0.66526%0.263SS*.Hα-helixtrans-64.8-42.2177.4-70.3177.6-178.91770112.1E45 T314 Y315E45-K318 IonicContact OE2-NZ 2.78Å; T314-K318 PolarHBondContact O-N 3.33Å; Y315-K318 PolarHBondContact O-N 3.22Å
319H91.6Very high91.2Very high66 Ų6653.6 Ų53.631%0.30626%0.264SS..THydrogen-bonded Turntrans-98.820.5-177.3-63.8-88.6000113.6Y315 A321 E322 V323Y315-H319 HydrophobicContact CD1-CB 4.31Å; Y315-H319 AromaticContact CD1-CD2 3.72Å; Y315-H319 AromaticContact CD2-CD2 3.94Å; Y315-H319 HydrophobicContact CE1-CB 3.97Å; Y315-H319 AromaticContact CE1-CD2 3.5Å; Y315-H319 VanDerWaalsContact CE1-CD2 3.5Å; Y315-H319 WeakPolarHBondContact CE1-CD2 3.38Å; Y315-H319 AromaticContact CE1-CG 3.72Å; Y315-H319 AromaticContact CE2-CD2 3.74Å; Y315-H319 AromaticContact CE2-NE2 3.75Å; Y315-H319 AromaticContact CG-CD2 3.93Å; Y315-H319 AromaticContact CZ-CD2 3.5Å; Y315-H319 AromaticContact CZ-CG 3.92Å; Y315-H319 AromaticContact CZ-NE2 3.76Å; Y315-H319 PolarHBondContact O-CD2 3.42Å; Y315-H319 PolarHBondContact O-N 3.14Å; H319-A321 VanDerWaalsContact C-N 3.33Å; H319-A321 PolarHBondContact O-N 3.42Å; H319-A321 VanDerWaalsContact O-N 3.15Å; H319-E322 IonicContact ND1-OE2 2.82Å; H319-E322 WeakPolarHBondContact O-CB 3.43Å; H319-E322 PolarHBondContact O-N 3.43Å; H319-E322 VanDerWaalsContact O-N 3.14Å; H319-V323 HydrophobicContact CB-CG2 4.09Å; H319-V323 WeakPolarHBondContact O-CG2 3.36Å; H319-V323 PolarHBondContact O-N 3.2Å
320R89.2Confident91.3Very high70 Ų7053.1 Ų53.126%0.26426%0.261SS..Hα-helixtrans-53.7-43.8-167.5179.9-178.8-70.6144.5-4.6114.3C316 A317 E322 L324C316-R320 WeakPolarHBondContact O-CA 3.46Å; C316-R320 WeakPolarHBondContact O-CB 3.32Å; C316-R320 PolarHBondContact O-N 3.32Å; C316-R320 VanDerWaalsContact O-N 3.12Å; A317-R320 WeakPolarHBondContact O-CB 3.39Å; R320-E322 VanDerWaalsContact C-N 3.34Å; R320-L324 HydrophobicContact CG-CD1 3.58Å; R320-L324 HydrophobicContact CG-CG 4.13Å; R320-L324 WeakPolarHBondContact O-CB 3.5Å; R320-L324 WeakPolarHBondContact O-CG 3.39Å; R320-L324 PolarHBondContact O-N 3.36Å
321A90Very high91.6Very high72 Ų7252 Ų5260%0.59526%0.256SS*.Hα-helixtrans-65.7-39.2-175.400000112H319 R325H319-A321 VanDerWaalsContact C-N 3.33Å; H319-A321 PolarHBondContact O-N 3.42Å; H319-A321 VanDerWaalsContact O-N 3.15Å; A321-R325 WeakPolarHBondContact O-CB 3.38Å; A321-R325 PolarHBondContact O-N 3.03Å
322E93.7Very high91.9Very high92 Ų9251.6 Ų51.643%0.4326%0.255SS..Hα-helixtrans-69.1-52.2176.1178.6178.6-162.300110.8Y246 H319 R320 L324 R325 S326Y246-E322 HydrophobicContact CE2-CG 4.2Å; Y246-E322 PolarHBondContact OH-OE1 3.06Å; H319-E322 IonicContact ND1-OE2 2.82Å; H319-E322 WeakPolarHBondContact O-CB 3.43Å; H319-E322 PolarHBondContact O-N 3.43Å; H319-E322 VanDerWaalsContact O-N 3.14Å; R320-E322 VanDerWaalsContact C-N 3.34Å; E322-L324 PolarHBondContact O-N 3.35Å; E322-R325 PolarHBondContact O-N 3.05Å; E322-R325 VanDerWaalsContact O-N 3.15Å; E322-S326 PolarHBondContact O-N 3.07Å; E322-S326 VanDerWaalsContact O-N 3.17Å
323V93.3Very high92Very high0 Ų054.8 Ų54.80%027%0.267CS..Hα-helixtrans-60.1-45.3-179.3175.40000111.5Q242 L243 Y246 H319 R325 S326 V327Q242-V323 HydrophobicContact CG-CG1 3.62Å; L243-V323 HydrophobicContact CD1-CG1 4.48Å; L243-V323 HydrophobicContact CD1-CG2 3.86Å; Y246-V323 HydrophobicContact CD1-CG2 4.28Å; Y246-V323 HydrophobicContact CD2-CG2 4.26Å; Y246-V323 HydrophobicContact CE1-CG2 4.49Å; Y246-V323 HydrophobicContact CE2-CG2 4.47Å; Y246-V323 HydrophobicContact CG-CG2 4.16Å; H319-V323 HydrophobicContact CB-CG2 4.09Å; H319-V323 WeakPolarHBondContact O-CG2 3.36Å; H319-V323 PolarHBondContact O-N 3.2Å; V323-R325 VanDerWaalsContact C-N 3.29Å; V323-R325 PolarHBondContact O-N 3.24Å; V323-S326 PolarHBondContact O-N 2.99Å; V323-V327 PolarHBondContact O-N 3.3Å
324L89.9Confident92.2Very high64 Ų6452.7 Ų52.734%0.33526%0.263SS..Hα-helixtrans-65.1-29.6178.7-82.3174.5000113.7R320 E322 F329R320-L324 HydrophobicContact CG-CD1 3.58Å; R320-L324 HydrophobicContact CG-CG 4.13Å; R320-L324 WeakPolarHBondContact O-CB 3.5Å; R320-L324 WeakPolarHBondContact O-CG 3.39Å; R320-L324 PolarHBondContact O-N 3.36Å; E322-L324 PolarHBondContact O-N 3.35Å; L324-F329 HydrophobicContact CD2-CD1 3.62Å; L324-F329 HydrophobicContact CD2-CE1 3.77Å
325R90.6Very high92.6Very high210 Ų21052.6 Ų52.679%0.79226%0.261SS*.Hα-helixtrans-73.5-34.8177.7-172.4-176.2-62.6146.40.7111.1A321 E322 V323A321-R325 WeakPolarHBondContact O-CB 3.38Å; A321-R325 PolarHBondContact O-N 3.03Å; E322-R325 PolarHBondContact O-N 3.05Å; E322-R325 VanDerWaalsContact O-N 3.15Å; V323-R325 VanDerWaalsContact C-N 3.29Å; V323-R325 PolarHBondContact O-N 3.24Å
326S90.3Very high92.8Very high75 Ų7552 Ų5252%0.52426%0.26SS..Hα-helixtrans-80.2-48.9-179.1-177.30000112.4E322 V323E322-S326 PolarHBondContact O-N 3.07Å; E322-S326 VanDerWaalsContact O-N 3.17Å; V323-S326 PolarHBondContact O-N 2.99Å
327V91Very high92.7Very high7 Ų752 Ų524%0.04226%0.26CS..  trans-133.7115-173-174.80000109.6Q242 V245 V323Q242-V327 HydrophobicContact CG-CB 4.38Å; Q242-V327 HydrophobicContact CG-CG1 4.42Å; Q242-V327 PolarHBondContact NE2-O 3.21Å; V245-V327 HydrophobicContact CB-CG1 3.97Å; V245-V327 HydrophobicContact CB-CG2 4.26Å; V245-V327 HydrophobicContact CG1-CB 4.45Å; V245-V327 HydrophobicContact CG1-CG1 3.76Å; V245-V327 HydrophobicContact CG1-CG2 3.79Å; V323-V327 PolarHBondContact O-N 3.3Å
328P94.2Very high92.9Very high39 Ų3953 Ų5325%0.25326%0.258SS..PPolyproline II helixtrans-66139.8168.2-14.928.3000110.7L260L260-P328 HydrophobicContact CB-CB 4.22Å
329F94.7Very high93.1Very high18 Ų1847.7 Ų47.78%0.07924%0.237CC..PPolyproline II helixtrans-78.4150.8172.560.8-86.1000111W80 Y238 Q242 L324 R331W80-F329 HydrophobicContact CB-CE2 4.41Å; W80-F329 HydrophobicContact CB-CZ 4.39Å; W80-F329 HydrophobicContact CG-CE2 4.23Å; Y238-F329 HydrophobicContact CD2-CB 4.06Å; Y238-F329 HydrophobicContact CD2-CD1 4.49Å; Y238-F329 AromaticContact CD2-CD2 3.42Å; Y238-F329 HydrophobicContact CD2-CD2 3.42Å; Y238-F329 VanDerWaalsContact CD2-CD2 3.42Å; Y238-F329 AromaticContact CD2-CE2 3.93Å; Y238-F329 HydrophobicContact CD2-CE2 3.93Å; Y238-F329 AromaticContact CD2-CG 3.75Å; Y238-F329 HydrophobicContact CD2-CG 3.75Å; Y238-F329 HydrophobicContact CE2-CD2 4.14Å; Y238-F329 HydrophobicContact CE2-CE2 4.21Å; Y238-F329 HydrophobicContact CE2-CG 4.5Å; Y238-F329 HydrophobicContact CG-CD2 4.02Å; Q242-F329 HydrophobicContact CB-CB 4.22Å; L324-F329 HydrophobicContact CD2-CD1 3.62Å; L324-F329 HydrophobicContact CD2-CE1 3.77Å; F329-R331 HydrophobicContact CD2-CG 4.21Å; F329-R331 HydrophobicContact CE2-CG 3.77Å; F329-R331 HydrophobicContact CZ-CG 4.49Å
330H95.4Very high93.2Very high1 Ų146.7 Ų46.71%0.00523%0.233CC..PPolyproline II helixtrans-68.5131.3171.964.9-85000109.9D237 L260 F266 I276 Y337D237-H330 PolarHBondContact O-CE1 2.86Å; D237-H330 VanDerWaalsContact O-CE1 3.27Å; L260-H330 HydrophobicContact CD2-CB 3.65Å; F266-H330 HydrophobicContact CD2-CB 4.09Å; F266-H330 HydrophobicContact CE2-CB 4.02Å; I276-H330 HydrophobicContact CD1-CB 3.75Å; I276-H330 VanDerWaalsContact CG2-CE1 3.49Å; I276-H330 WeakPolarHBondContact CG2-CE1 3.38Å; H330-Y337 AromaticContact CD2-CE1 4Å; H330-Y337 AromaticContact NE2-CE1 3.25Å; H330-Y337 VanDerWaalsContact NE2-CE1 3.25Å; H330-Y337 WeakPolarHBondContact NE2-CE1 3.33Å; H330-Y337 AromaticContact NE2-CZ 3.83Å
331R96.3Very high93.4Very high41 Ų4145.3 Ų45.316%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-95.8113.9178.4-68.5179.4-177.775.33.8108.2W80 L265 F266 F329W80-R331 HydrophobicContact CH2-CB 4.28Å; W80-R331 HydrophobicContact CH2-CG 4.41Å; W80-R331 HydrophobicContact CZ2-CB 4.02Å; W80-R331 HydrophobicContact CZ2-CG 4.38Å; L265-R331 CarbonylContact C-O 3.58Å; L265-R331 WeakPolarHBondContact CA-O 3.34Å; L265-R331 HydrophobicContact CD1-CB 3.96Å; F266-R331 PolarHBondContact N-O 3.35Å; F329-R331 HydrophobicContact CD2-CG 4.21Å; F329-R331 HydrophobicContact CE2-CG 3.77Å; F329-R331 HydrophobicContact CZ-CG 4.49Å
332C96.5Very high93.7Very high1 Ų143.6 Ų43.61%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-119.5141.1162.5-172.80000108.3W80 Y337W80-C332 PolarHBondContact NE1-O 2.86Å; W80-C332 VanDerWaalsContact NE1-O 3.1Å; C332-Y337 HydrophobicContact CB-CD1 4.42Å; C332-Y337 HydrophobicContact CB-CD2 3.56Å; C332-Y337 HydrophobicContact CB-CE1 4.33Å; C332-Y337 HydrophobicContact CB-CE2 3.44Å; C332-Y337 VanDerWaalsContact CB-CE2 3.44Å; C332-Y337 HydrophobicContact CB-CG 4Å; C332-Y337 VanDerWaalsContact SG-CD2 3.56Å; C332-Y337 WeakPolarHBondContact SG-CE2 3.43Å
333R96.4Very high93.6Very high70 Ų7040.4 Ų40.426%0.26419%0.194SC..  trans-113.9111.9175.2179.964.365.3-168.55.8108S78 W80 P141 L142 L265S78-R333 PolarHBondContact O-NH1 2.97Å; S78-R333 PolarHBondContact OG-NH1 3.18Å; W80-R333 VanDerWaalsContact CE3-NH2 3.32Å; W80-R333 VanDerWaalsContact CH2-NH2 3.35Å; W80-R333 HydrophobicContact CZ2-CB 4.35Å; W80-R333 VanDerWaalsContact CZ3-NH2 3.3Å; W80-R333 PolarHBondContact O-NH1 3.26Å; W80-R333 PolarHBondContact O-NH2 3.43Å; P141-R333 VanDerWaalsContact CB-NH1 3.28Å; L142-R333 HydrophobicContact CD1-CG 4.23Å; L265-R333 HydrophobicContact CD1-CB 4.11Å
334G95.9Very high93.7Very high14 Ų1443.3 Ų43.314%0.14421%0.208CC..SBendtrans-174.3-176.1-179.100000112S78 F336S78-G334 PolarHBondContact OG-O 3.18Å; G334-F336 VanDerWaalsContact C-N 3.28Å
335I96.9Very high94Very high27 Ų2741.7 Ų41.714%0.13820%0.198CC..SBendtrans-84.9-2.2179.665.6169.5000113.2F77 L149 R206F77-I335 WeakPolarHBondContact CB-O 3.28Å; F77-I335 HydrophobicContact CD1-CB 4.33Å; F77-I335 HydrophobicContact CD2-CB 4.32Å; F77-I335 HydrophobicContact CD2-CG2 4.25Å; F77-I335 HydrophobicContact CE1-CB 4.34Å; F77-I335 HydrophobicContact CE1-CG2 4.4Å; F77-I335 HydrophobicContact CE2-CB 4.38Å; F77-I335 HydrophobicContact CE2-CG2 3.89Å; F77-I335 HydrophobicContact CG-CB 4.32Å; F77-I335 HydrophobicContact CZ-CB 4.38Å; F77-I335 HydrophobicContact CZ-CG2 3.97Å; L149-I335 HydrophobicContact CD1-CB 4.27Å; L149-I335 HydrophobicContact CD1-CD1 4.27Å; L149-I335 HydrophobicContact CD1-CG2 4.05Å; R206-I335 WeakPolarHBondContact CD-O 3.26Å; R206-I335 PolarHBondContact NH1-O 3.21Å
336F95.5Very high94.2Very high37 Ų3727.7 Ų27.716%0.16215%0.149CC..  trans-102.8-13.4-177.9-55.6-51.9000113.5S191 D192 K205 G334S191-F336 WeakPolarHBondContact O-CZ 3.48Å; D192-F336 HydrophobicContact CB-CB 4.39Å; D192-F336 HydrophobicContact CB-CD1 3.51Å; D192-F336 HydrophobicContact CB-CE1 3.88Å; D192-F336 HydrophobicContact CB-CG 3.96Å; K205-F336 WeakPolarHBondContact CD-O 3.35Å; K205-F336 PolarHBondContact NZ-O 2.7Å; G334-F336 VanDerWaalsContact C-N 3.28Å
337Y87.9Confident94.6Very high2 Ų223.4 Ų23.41%0.00811%0.114CC..  trans-119.60176.9-69.4-86.7000109.6F77 S78 K205 D237 E273 R277 H330 C332F77-Y337 CarbonylContact C-O 3.59Å; F77-Y337 VanDerWaalsContact C-O 3.25Å; F77-Y337 VanDerWaalsContact CA-O 3.3Å; F77-Y337 WeakPolarHBondContact CA-O 3.27Å; F77-Y337 VanDerWaalsContact CA-OXT 3.29Å; F77-Y337 WeakPolarHBondContact CA-OXT 3.39Å; F77-Y337 VanDerWaalsContact CB-O 3.24Å; F77-Y337 WeakPolarHBondContact CB-O 3.5Å; S78-Y337 VanDerWaalsContact CA-O 3.25Å; S78-Y337 WeakPolarHBondContact CA-O 2.81Å; S78-Y337 PolarHBondContact N-O 3.09Å; S78-Y337 PolarHBondContact N-OXT 2.94Å; S78-Y337 PolarHBondContact OG-O 3.35Å; K205-Y337 PolarHBondContact NZ-OXT 3.34Å; K205-Y337 VanDerWaalsContact NZ-OXT 3.07Å; D237-Y337 WeakPolarHBondContact OD1-CA 3.49Å; D237-Y337 WeakPolarHBondContact OD1-CD1 3.41Å; E273-Y337 HydrophobicContact CG-CE2 4.47Å; E273-Y337 WeakPolarHBondContact CG-OH 3.36Å; E273-Y337 PolarHBondContact OE1-OH 3.13Å; R277-Y337 VanDerWaalsContact CD-OH 3.29Å; R277-Y337 WeakPolarHBondContact CD-OH 3.5Å; H330-Y337 AromaticContact CD2-CE1 4Å; H330-Y337 AromaticContact NE2-CE1 3.25Å; H330-Y337 VanDerWaalsContact NE2-CE1 3.25Å; H330-Y337 WeakPolarHBondContact NE2-CE1 3.33Å; H330-Y337 AromaticContact NE2-CZ 3.83Å; C332-Y337 HydrophobicContact CB-CD1 4.42Å; C332-Y337 HydrophobicContact CB-CD2 3.56Å; C332-Y337 HydrophobicContact CB-CE1 4.33Å; C332-Y337 HydrophobicContact CB-CE2 3.44Å; C332-Y337 VanDerWaalsContact CB-CE2 3.44Å; C332-Y337 HydrophobicContact CB-CG 4Å; C332-Y337 VanDerWaalsContact SG-CD2 3.56Å; C332-Y337 WeakPolarHBondContact SG-CE2 3.43Å

Retrieved 337 of 337 residues in 657.8 ms (Link to these results)

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