G4LY75_SCHMA Loading...

very-long-chain enoyl-CoA reductase

AlphaFold DB , UniProt , Accession G4LY75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 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
1M85Confident92.4Very high42 Ų4259.6 Ų59.621%0.20729%0.286CS..  01480-54.1178.885.100109.6N19 V20 I62 E66 G72 I74M1-N19 PolarHBondContact O-N 2.78Å; M1-V20 PolarHBondContact N-O 3.34Å; M1-V20 PolarHBondContact O-N 2.84Å; M1-I62 HydrophobicContact SD-CD1 4.1Å; M1-I62 HydrophobicContact SD-CG1 4.25Å; M1-E66 HydrophobicContact CE-CB 3.8Å; M1-E66 HydrophobicContact CE-CG 3.6Å; M1-E66 WeakPolarHBondContact CE-OE2 3.41Å; M1-G72 CarbonylContact C-O 3.53Å; M1-G72 WeakPolarHBondContact CA-O 3.05Å; M1-I74 HydrophobicContact CE-CD1 3.47Å; M1-I74 VanDerWaalsContact CE-CD1 3.47Å; M1-I74 HydrophobicContact CE-CG1 4.15Å; M1-I74 HydrophobicContact SD-CD1 4.32Å
2K90.7Very high92.6Very high68 Ų6866.4 Ų66.430%0.29631%0.313SS..EExtended strand (participates in β ladder)trans-93.8125.9172.2-169164.1-174.1158.50109.3F4 T16 W17 E18 G72 C73 I74K2-F4 HydrophobicContact CD-CE1 4.44Å; K2-F4 HydrophobicContact CD-CE2 4.12Å; K2-F4 HydrophobicContact CD-CZ 3.67Å; K2-F4 VanDerWaalsContact CE-CZ 3.43Å; K2-F4 HydrophobicContact CG-CE1 4.46Å; K2-F4 HydrophobicContact CG-CE2 3.82Å; K2-F4 HydrophobicContact CG-CZ 3.77Å; K2-T16 HydrophobicContact CG-CG2 4.48Å; K2-W17 CarbonylContact C-O 3.59Å; K2-W17 VanDerWaalsContact CA-O 3.3Å; K2-W17 WeakPolarHBondContact CA-O 3.2Å; K2-E18 HydrophobicContact CD-CG 4.24Å; K2-E18 WeakPolarHBondContact CE-OE1 3.21Å; K2-E18 HydrophobicContact CG-CG 4.27Å; K2-E18 IonicContact NZ-OE1 2.71Å; K2-E18 PolarHBondContact NZ-OE1 3.4Å; K2-G72 PolarHBondContact N-O 3.14Å; K2-C73 CarbonylContact O-C 3.58Å; K2-C73 VanDerWaalsContact O-CA 3.29Å; K2-C73 WeakPolarHBondContact O-CA 3.47Å; K2-I74 PolarHBondContact O-N 3.5Å
3V93.1Very high92.8Very high0 Ų067.2 Ų67.20%032%0.32CS..EExtended strand (participates in β ladder)trans-120.3127.8-175.8178.10000109.1V5 T16 W17 V20 L29 I62 I74 F76V3-V5 HydrophobicContact CG1-CG2 4.47Å; V3-T16 WeakPolarHBondContact O-CA 3.29Å; V3-W17 HydrophobicContact CB-CE3 4.12Å; V3-W17 HydrophobicContact CG1-CE3 3.92Å; V3-W17 HydrophobicContact CG1-CZ3 4.2Å; V3-W17 PolarHBondContact N-O 2.85Å; V3-W17 PolarHBondContact O-N 3.22Å; V3-V20 HydrophobicContact CB-CG2 4.12Å; V3-V20 HydrophobicContact CG2-CB 3.96Å; V3-V20 HydrophobicContact CG2-CG1 4.28Å; V3-V20 HydrophobicContact CG2-CG2 3.78Å; V3-L29 HydrophobicContact CG1-CD1 4.43Å; V3-I62 HydrophobicContact CG2-CD1 4.11Å; V3-I74 WeakPolarHBondContact CA-O 3.31Å; V3-F76 HydrophobicContact CG1-CD2 3.72Å; V3-F76 HydrophobicContact CG1-CE2 4.04Å
4F94.2Very high92.9Very high41 Ų4164.7 Ų64.718%0.1831%0.309CS..EExtended strand (participates in β ladder)trans-111.6132.3175.1-57.8-86.3000109.1K2 L13 T16 C73 I74 N75 F76K2-F4 HydrophobicContact CD-CE1 4.44Å; K2-F4 HydrophobicContact CD-CE2 4.12Å; K2-F4 HydrophobicContact CD-CZ 3.67Å; K2-F4 VanDerWaalsContact CE-CZ 3.43Å; K2-F4 HydrophobicContact CG-CE1 4.46Å; K2-F4 HydrophobicContact CG-CE2 3.82Å; K2-F4 HydrophobicContact CG-CZ 3.77Å; F4-L13 HydrophobicContact CB-CD1 3.96Å; F4-L13 HydrophobicContact CD1-CD1 3.96Å; F4-L13 HydrophobicContact CG-CD1 4.46Å; F4-T16 HydrophobicContact CD1-CG2 3.74Å; F4-T16 HydrophobicContact CE1-CG2 3.62Å; F4-T16 HydrophobicContact CZ-CG2 4.47Å; F4-C73 HydrophobicContact CE2-CB 4.19Å; F4-I74 PolarHBondContact N-O 3.27Å; F4-N75 VanDerWaalsContact CB-OD1 3.31Å; F4-N75 WeakPolarHBondContact CB-OD1 3.25Å; F4-F76 PolarHBondContact O-N 3.31Å
5V95Very high93Very high1 Ų162 Ų621%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-114.4120.2174-177.90000108.5V3 L14 L15 W17 I33 F76 L78V3-V5 HydrophobicContact CG1-CG2 4.47Å; V5-L14 WeakPolarHBondContact O-CA 3.41Å; V5-L14 VanDerWaalsContact O-CB 3.29Å; V5-L14 WeakPolarHBondContact O-CB 3.48Å; V5-L14 PolarHBondContact O-N 2.87Å; V5-L15 HydrophobicContact CB-CB 4.31Å; V5-L15 PolarHBondContact N-O 3.38Å; V5-L15 PolarHBondContact O-N 3.1Å; V5-W17 HydrophobicContact CG2-CE3 4.35Å; V5-W17 HydrophobicContact CG2-CH2 3.94Å; V5-W17 HydrophobicContact CG2-CZ3 3.55Å; V5-I33 HydrophobicContact CG1-CD1 3.96Å; V5-I33 HydrophobicContact CG2-CD1 4.35Å; V5-F76 CarbonylContact C-O 3.56Å; V5-F76 WeakPolarHBondContact CA-O 3.43Å; V5-L78 HydrophobicContact CG1-CB 3.8Å
6R95.7Very high93.2Very high65 Ų6561.7 Ų61.725%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-114.1155.8-178.5-67.5167.9170.7-94.9-0.7111D11 K12 L13 N75 F76 Y77 L78R6-D11 WeakPolarHBondContact CD-OD1 3.42Å; R6-D11 PolarHBondContact NH1-O 3.09Å; R6-D11 VanDerWaalsContact NH1-O 3.09Å; R6-D11 IonicContact NH1-OD1 3.32Å; R6-D11 PolarHBondContact NH1-OD1 2.97Å; R6-D11 IonicContact NH1-OD2 3.01Å; R6-D11 PolarHBondContact NH1-OD2 3.36Å; R6-K12 CarbonylContact C-O 3.57Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.36Å; R6-L13 HydrophobicContact CG-CD1 4.1Å; R6-N75 PolarHBondContact NE-OD1 3.23Å; R6-F76 PolarHBondContact N-O 3.36Å; R6-Y77 HydrophobicContact CB-CD1 3.88Å; R6-Y77 HydrophobicContact CB-CE1 4.02Å; R6-Y77 CarbonylContact O-C 3.43Å; R6-Y77 VanDerWaalsContact O-CA 3.32Å; R6-Y77 WeakPolarHBondContact O-CA 3.27Å; R6-L78 PolarHBondContact O-N 3.11Å
7E94.8Very high93.2Very high70 Ų7058.5 Ų58.533%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-79.2129.2173.4-176.3172.6-141.200111K9 T10 D11 K12 L14E7-K9 HydrophobicContact CG-CB 4.44Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-K9 VanDerWaalsContact O-N 3.1Å; E7-T10 WeakPolarHBondContact OE2-CG2 3.27Å; E7-T10 PolarHBondContact OE2-OG1 3.46Å; E7-D11 WeakPolarHBondContact O-CA 3.37Å; E7-D11 PolarHBondContact O-N 3.09Å; E7-K12 PolarHBondContact N-O 2.9Å; E7-L14 HydrophobicContact CB-CD1 4Å; E7-L14 HydrophobicContact CB-CD2 4.19Å; E7-L14 HydrophobicContact CB-CG 4.19Å
8C92.6Very high93.2Very high21 Ų2161.9 Ų61.914%0.14230%0.299CS..THydrogen-bonded Turntrans-57.8-27.9-179.7-75.90000114.9Y77 L78 K79C8-Y77 WeakPolarHBondContact SG-CB 3.2Å; C8-L78 PolarHBondContact N-O 2.91Å; C8-K79 HydrophobicContact CB-CB 4.19Å
9K91Very high93Very high186 Ų18666.3 Ų66.381%0.80933%0.325SS*.THydrogen-bonded Turntrans-86.9-41.4-173-71.4-174.8178.7-179.30113E7E7-K9 HydrophobicContact CG-CB 4.44Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-K9 VanDerWaalsContact O-N 3.1Å
10T92.9Very high92.9Very high85 Ų8563.2 Ų63.252%0.52131%0.31SS..THydrogen-bonded Turntrans-110.5-7.7-169.5600000112.6E7 K12E7-T10 WeakPolarHBondContact OE2-CG2 3.27Å; E7-T10 PolarHBondContact OE2-OG1 3.46Å; T10-K12 PolarHBondContact O-N 3.08Å; T10-K12 VanDerWaalsContact OG1-CB 3.25Å; T10-K12 WeakPolarHBondContact OG1-CB 3.48Å; T10-K12 PolarHBondContact OG1-N 2.94Å
11D91.8Very high92.8Very high77 Ų7764.4 Ų64.441%0.41232%0.322SS..  trans56.212.9-168.5-167.236000114.1R6 E7 L13 Y77R6-D11 WeakPolarHBondContact CD-OD1 3.42Å; R6-D11 PolarHBondContact NH1-O 3.09Å; R6-D11 VanDerWaalsContact NH1-O 3.09Å; R6-D11 IonicContact NH1-OD1 3.32Å; R6-D11 PolarHBondContact NH1-OD1 2.97Å; R6-D11 IonicContact NH1-OD2 3.01Å; R6-D11 PolarHBondContact NH1-OD2 3.36Å; E7-D11 WeakPolarHBondContact O-CA 3.37Å; E7-D11 PolarHBondContact O-N 3.09Å; D11-L13 PolarHBondContact O-N 3.08Å; D11-Y77 VanDerWaalsContact OD1-CE1 3.26Å; D11-Y77 WeakPolarHBondContact OD1-CE1 3.3Å
12K94.7Very high92.9Very high141 Ų14165.8 Ų65.861%0.61334%0.336SS*.  trans-65.6129.6178.9-176176.5179.1175.50109.8R6 E7 T10 L14R6-K12 CarbonylContact C-O 3.57Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.36Å; E7-K12 PolarHBondContact N-O 2.9Å; T10-K12 PolarHBondContact O-N 3.08Å; T10-K12 VanDerWaalsContact OG1-CB 3.25Å; T10-K12 WeakPolarHBondContact OG1-CB 3.48Å; T10-K12 PolarHBondContact OG1-N 2.94Å; K12-L14 PolarHBondContact O-N 2.86Å
13L95Very high92.9Very high76 Ų7664.3 Ų64.340%0.39834%0.34SS..EExtended strand (participates in β ladder)trans-63.6124170.3-176.364.1000109.9F4 R6 D11F4-L13 HydrophobicContact CB-CD1 3.96Å; F4-L13 HydrophobicContact CD1-CD1 3.96Å; F4-L13 HydrophobicContact CG-CD1 4.46Å; R6-L13 HydrophobicContact CG-CD1 4.1Å; D11-L13 PolarHBondContact O-N 3.08Å
14L94.1Very high92.9Very high33 Ų3365.3 Ų65.317%0.17335%0.346CS..EExtended strand (participates in β ladder)trans-101.1-49-177.9-60176.7000111.7V5 E7 K12 L78V5-L14 WeakPolarHBondContact O-CA 3.41Å; V5-L14 VanDerWaalsContact O-CB 3.29Å; V5-L14 WeakPolarHBondContact O-CB 3.48Å; V5-L14 PolarHBondContact O-N 2.87Å; E7-L14 HydrophobicContact CB-CD1 4Å; E7-L14 HydrophobicContact CB-CD2 4.19Å; E7-L14 HydrophobicContact CB-CG 4.19Å; K12-L14 PolarHBondContact O-N 2.86Å; L14-L78 HydrophobicContact CD1-CB 4.21Å; L14-L78 HydrophobicContact CD1-CD2 3.88Å
15L95.1Very high92.9Very high24 Ų2464.8 Ų64.813%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-145149-175.6-62.1171.5000109.7V5 W17 I33 E36 R37V5-L15 HydrophobicContact CB-CB 4.31Å; V5-L15 PolarHBondContact N-O 3.38Å; V5-L15 PolarHBondContact O-N 3.1Å; L15-W17 HydrophobicContact CB-CZ2 4.09Å; L15-W17 HydrophobicContact CD1-CH2 4.06Å; L15-W17 HydrophobicContact CD1-CZ2 3.55Å; L15-W17 HydrophobicContact CG-CZ2 4.41Å; L15-I33 HydrophobicContact CD1-CB 4.26Å; L15-I33 HydrophobicContact CD1-CG1 4.02Å; L15-I33 HydrophobicContact CD1-CG2 4.26Å; L15-E36 HydrophobicContact CD2-CB 4.4Å; L15-E36 WeakPolarHBondContact CD2-OE2 3.35Å; L15-R37 HydrophobicContact CD1-CG 4.11Å; L15-R37 HydrophobicContact CD2-CG 4.14Å; L15-R37 HydrophobicContact CG-CG 4.37Å
16T95.2Very high92.9Very high57 Ų5764.8 Ų64.835%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-134.5132.5174.3-57.60000108.4K2 V3 F4K2-T16 HydrophobicContact CG-CG2 4.48Å; V3-T16 WeakPolarHBondContact O-CA 3.29Å; F4-T16 HydrophobicContact CD1-CG2 3.74Å; F4-T16 HydrophobicContact CE1-CG2 3.62Å; F4-T16 HydrophobicContact CZ-CG2 4.47Å
17W94.4Very high92.8Very high8 Ų864.7 Ų64.73%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-128.9136.3175.4-55.8-53.1000110.8K2 V3 V5 L15 V20 L29 R32 I33 E36K2-W17 CarbonylContact C-O 3.59Å; K2-W17 VanDerWaalsContact CA-O 3.3Å; K2-W17 WeakPolarHBondContact CA-O 3.2Å; V3-W17 HydrophobicContact CB-CE3 4.12Å; V3-W17 HydrophobicContact CG1-CE3 3.92Å; V3-W17 HydrophobicContact CG1-CZ3 4.2Å; V3-W17 PolarHBondContact N-O 2.85Å; V3-W17 PolarHBondContact O-N 3.22Å; V5-W17 HydrophobicContact CG2-CE3 4.35Å; V5-W17 HydrophobicContact CG2-CH2 3.94Å; V5-W17 HydrophobicContact CG2-CZ3 3.55Å; L15-W17 HydrophobicContact CB-CZ2 4.09Å; L15-W17 HydrophobicContact CD1-CH2 4.06Å; L15-W17 HydrophobicContact CD1-CZ2 3.55Å; L15-W17 HydrophobicContact CG-CZ2 4.41Å; W17-V20 HydrophobicContact CB-CG2 3.53Å; W17-L29 HydrophobicContact CE3-CD2 4.17Å; W17-L29 HydrophobicContact CZ3-CD2 3.78Å; W17-R32 VanDerWaalsContact CG-CZ 3.42Å; W17-R32 HydrophobicContact CH2-CB 4.27Å; W17-R32 HydrophobicContact CH2-CG 4.24Å; W17-R32 HydrophobicContact CZ2-CB 4.05Å; W17-R32 HydrophobicContact CZ2-CG 3.58Å; W17-R32 VanDerWaalsContact NE1-NE 3.11Å; W17-I33 HydrophobicContact CH2-CG1 3.63Å; W17-I33 HydrophobicContact CZ2-CG1 4.3Å; W17-E36 PolarHBondContact NE1-OE1 3.23Å; W17-E36 PolarHBondContact NE1-OE2 2.91Å
18E91.8Very high92.8Very high119 Ų11965 Ų6556%0.55635%0.354SS*.SBendtrans-103158.5174-58.8-169.2158.700110K2 V20K2-E18 HydrophobicContact CD-CG 4.24Å; K2-E18 WeakPolarHBondContact CE-OE1 3.21Å; K2-E18 HydrophobicContact CG-CG 4.27Å; K2-E18 IonicContact NZ-OE1 2.71Å; K2-E18 PolarHBondContact NZ-OE1 3.4Å; E18-V20 PolarHBondContact O-N 3.37Å; E18-V20 VanDerWaalsContact O-N 3.1Å
19N89.9Confident92.9Very high146 Ų14664.1 Ų64.178%0.78135%0.348SS*.SBendtrans53.531.8177.4-58.7-34.1000115.1M1 P21M1-N19 PolarHBondContact O-N 2.78Å; N19-P21 WeakPolarHBondContact O-CD 3.38Å
20V90.6Very high93.2Very high4 Ų455.8 Ų55.82%0.02431%0.312CS..  trans-65.4126.5174.5-172.30000109.2M1 V3 W17 E18 T24 I62M1-V20 PolarHBondContact N-O 3.34Å; M1-V20 PolarHBondContact O-N 2.84Å; V3-V20 HydrophobicContact CB-CG2 4.12Å; V3-V20 HydrophobicContact CG2-CB 3.96Å; V3-V20 HydrophobicContact CG2-CG1 4.28Å; V3-V20 HydrophobicContact CG2-CG2 3.78Å; W17-V20 HydrophobicContact CB-CG2 3.53Å; E18-V20 PolarHBondContact O-N 3.37Å; E18-V20 VanDerWaalsContact O-N 3.1Å; V20-T24 HydrophobicContact CG1-CG2 4.09Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.39Å; V20-I62 HydrophobicContact CB-CD1 4.15Å; V20-I62 HydrophobicContact CG1-CD1 3.52Å
21P91.8Very high93.3Very high88 Ų8854.8 Ų54.857%0.57130%0.304SS*.  trans-59.8139.6177.1-24.233.9000111.8N19 G23 T24 I62N19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-G23 PolarHBondContact O-N 3.24Å; P21-T24 VanDerWaalsContact O-CB 3.27Å; P21-T24 WeakPolarHBondContact O-CB 3.27Å; P21-T24 PolarHBondContact O-N 3.17Å; P21-T24 VanDerWaalsContact O-N 3.08Å; P21-T24 PolarHBondContact O-OG1 3.06Å; P21-I62 WeakPolarHBondContact O-CD1 3.41Å
22S86.6Confident93.5Very high72 Ų7255.7 Ų55.750%0.50330%0.301SS..THydrogen-bonded Turntrans-61-30.5-178.353.80000113.7T24 S63S22-T24 PolarHBondContact O-N 3.02Å; S22-S63 WeakPolarHBondContact O-CB 3.33Å; S22-S63 PolarHBondContact O-OG 2.95Å
23G90.5Very high93.6Very high36 Ų3649 Ų4937%0.37127%0.272SS..THydrogen-bonded Turntrans-74.7-5.1177.500000115.4P21 T25P21-G23 PolarHBondContact O-N 3.24Å; G23-T25 PolarHBondContact O-N 3.45Å
24T93.7Very high93.7Very high22 Ų2249.5 Ų49.514%0.13527%0.269CS..  trans-59.3131.7-179.6-54.80000110.2V20 P21 S22 D28 L29 R61 I62V20-T24 HydrophobicContact CG1-CG2 4.09Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.39Å; P21-T24 VanDerWaalsContact O-CB 3.27Å; P21-T24 WeakPolarHBondContact O-CB 3.27Å; P21-T24 PolarHBondContact O-N 3.17Å; P21-T24 VanDerWaalsContact O-N 3.08Å; P21-T24 PolarHBondContact O-OG1 3.06Å; S22-T24 PolarHBondContact O-N 3.02Å; T24-D28 HydrophobicContact CG2-CB 3.64Å; T24-L29 HydrophobicContact CG2-CD2 3.9Å; T24-L29 HydrophobicContact CG2-CG 4.28Å; T24-R61 WeakPolarHBondContact O-CA 3.42Å; T24-I62 WeakPolarHBondContact O-CG2 3.18Å; T24-I62 PolarHBondContact O-N 3.32Å
25T94.6Very high93.7Very high30 Ų3053.4 Ų53.418%0.18429%0.29CS..BIsolated β-bridgetrans-88.1163.6178.566.80000111.7G23 L27 D28 L29 K60G23-T25 PolarHBondContact O-N 3.45Å; T25-L27 PolarHBondContact O-N 3.21Å; T25-L27 PolarHBondContact OG1-N 2.94Å; T25-D28 WeakPolarHBondContact CB-OD2 3.33Å; T25-D28 PolarHBondContact N-OD2 2.91Å; T25-D28 WeakPolarHBondContact O-CB 3.47Å; T25-D28 PolarHBondContact O-N 3.47Å; T25-D28 PolarHBondContact OG1-N 3.17Å; T25-D28 VanDerWaalsContact OG1-N 3.14Å; T25-D28 PolarHBondContact OG1-OD2 3.18Å; T25-L29 PolarHBondContact O-N 2.99Å; T25-L29 VanDerWaalsContact O-N 3.09Å; T25-K60 WeakPolarHBondContact CA-O 3.44Å
26I94Very high93.8Very high0 Ų056.8 Ų56.80%031%0.305CS..Hα-helixtrans-60.1-34.5170.7-63.5-56.8000111.2L29 K30 I47 I56 K60 I62 F65 F76I26-L29 HydrophobicContact CD1-CD1 4.25Å; I26-L29 WeakPolarHBondContact O-CB 3.27Å; I26-L29 PolarHBondContact O-N 2.79Å; I26-K30 WeakPolarHBondContact O-CG 3.33Å; I26-K30 PolarHBondContact O-N 3.46Å; I26-I47 HydrophobicContact CD1-CG2 4.27Å; I26-I47 HydrophobicContact CG2-CB 3.92Å; I26-I47 HydrophobicContact CG2-CG1 4Å; I26-I47 HydrophobicContact CG2-CG2 4.36Å; I26-I56 HydrophobicContact CD1-CD1 4.24Å; I26-I56 HydrophobicContact CD1-CG2 4.17Å; I26-I56 HydrophobicContact CG1-CB 4.19Å; I26-I56 HydrophobicContact CG1-CG2 3.65Å; I26-K60 HydrophobicContact CG1-CB 4.48Å; I26-K60 PolarHBondContact N-O 2.9Å; I26-I62 HydrophobicContact CD1-CG2 4.33Å; I26-F65 HydrophobicContact CD1-CE2 4.49Å; I26-F76 HydrophobicContact CD1-CE1 4.02Å; I26-F76 HydrophobicContact CD1-CZ 3.95Å
27L93.4Very high93.7Very high64 Ų6459.4 Ų59.434%0.33531%0.308SS..Hα-helixtrans-61.4-44.7174.1-175.956.9000112.1T25 L29 K30 N31 V42 D58T25-L27 PolarHBondContact O-N 3.21Å; T25-L27 PolarHBondContact OG1-N 2.94Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.36Å; L27-K30 PolarHBondContact O-N 3.06Å; L27-K30 VanDerWaalsContact O-N 3.11Å; L27-N31 PolarHBondContact O-N 3.33Å; L27-N31 PolarHBondContact O-ND2 2.8Å; L27-V42 HydrophobicContact CD1-CG1 4.07Å; L27-D58 HydrophobicContact CB-CB 4.18Å; L27-D58 PolarHBondContact N-O 3.03Å
28D95.3Very high93.5Very high75 Ų7565.2 Ų65.240%0.40133%0.334SS..Hα-helixtrans-61.1-42.2177.3-60-41.1000111.1T24 T25 K30 N31 R32T24-D28 HydrophobicContact CG2-CB 3.64Å; T25-D28 WeakPolarHBondContact CB-OD2 3.33Å; T25-D28 PolarHBondContact N-OD2 2.91Å; T25-D28 WeakPolarHBondContact O-CB 3.47Å; T25-D28 PolarHBondContact O-N 3.47Å; T25-D28 PolarHBondContact OG1-N 3.17Å; T25-D28 VanDerWaalsContact OG1-N 3.14Å; T25-D28 PolarHBondContact OG1-OD2 3.18Å; D28-K30 PolarHBondContact O-N 2.96Å; D28-N31 PolarHBondContact O-N 3.46Å; D28-R32 WeakPolarHBondContact O-CB 3.22Å; D28-R32 PolarHBondContact O-N 3.08Å
29L95.2Very high93.4Very high3 Ų367.2 Ų67.22%0.01634%0.341CS..Hα-helixtrans-58.5-48172.7-66.8-170.1000111V3 W17 T24 T25 I26 L27 N31 R32 I33 I62 F76V3-L29 HydrophobicContact CG1-CD1 4.43Å; W17-L29 HydrophobicContact CE3-CD2 4.17Å; W17-L29 HydrophobicContact CZ3-CD2 3.78Å; T24-L29 HydrophobicContact CG2-CD2 3.9Å; T24-L29 HydrophobicContact CG2-CG 4.28Å; T25-L29 PolarHBondContact O-N 2.99Å; T25-L29 VanDerWaalsContact O-N 3.09Å; I26-L29 HydrophobicContact CD1-CD1 4.25Å; I26-L29 WeakPolarHBondContact O-CB 3.27Å; I26-L29 PolarHBondContact O-N 2.79Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.36Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.18Å; L29-R32 WeakPolarHBondContact O-CB 3.41Å; L29-R32 PolarHBondContact O-N 3.29Å; L29-R32 VanDerWaalsContact O-N 3.14Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 2.99Å; L29-I33 PolarHBondContact O-N 3.05Å; L29-I62 HydrophobicContact CD1-CG2 3.55Å; L29-I62 HydrophobicContact CD2-CG2 4.43Å; L29-I62 HydrophobicContact CG-CG2 3.99Å; L29-F76 HydrophobicContact CD1-CD2 3.69Å; L29-F76 HydrophobicContact CD1-CE2 3.5Å; L29-F76 HydrophobicContact CD1-CZ 4.3Å
30K96Very high93.5Very high12 Ų1260.8 Ų60.85%0.05231%0.307CS..Hα-helixtrans-61.4-40.9-179.7-69.4178.2-178.6-176.30112.9I26 L27 D28 R32 I33 Y34 V42 Q45 I47 D58I26-K30 WeakPolarHBondContact O-CG 3.33Å; I26-K30 PolarHBondContact O-N 3.46Å; L27-K30 PolarHBondContact O-N 3.06Å; L27-K30 VanDerWaalsContact O-N 3.11Å; D28-K30 PolarHBondContact O-N 2.96Å; K30-R32 VanDerWaalsContact C-N 3.34Å; K30-I33 PolarHBondContact O-N 3.25Å; K30-Y34 PolarHBondContact O-N 3.11Å; K30-V42 HydrophobicContact CB-CG1 3.92Å; K30-V42 HydrophobicContact CD-CG1 4.35Å; K30-Q45 HydrophobicContact CB-CB 4.48Å; K30-Q45 VanDerWaalsContact CB-OE1 3.26Å; K30-Q45 HydrophobicContact CD-CB 4.02Å; K30-Q45 WeakPolarHBondContact CE-O 3.17Å; K30-Q45 HydrophobicContact CG-CB 3.94Å; K30-Q45 PolarHBondContact NZ-O 3.44Å; K30-Q45 PolarHBondContact O-NE2 2.79Å; K30-Q45 VanDerWaalsContact O-NE2 3.09Å; K30-Q45 PolarHBondContact O-OE1 3.32Å; K30-I47 HydrophobicContact CG-CD1 4.4Å; K30-I47 HydrophobicContact CG-CG1 3.8Å; K30-D58 VanDerWaalsContact CE-OD1 3.24Å; K30-D58 WeakPolarHBondContact CE-OD1 3.47Å; K30-D58 IonicContact NZ-OD1 3.98Å; K30-D58 PolarHBondContact NZ-OD1 3.47Å; K30-D58 IonicContact NZ-OD2 2.59Å; K30-D58 PolarHBondContact NZ-OD2 3Å
31N96.4Very high93.6Very high64 Ų6465.5 Ų65.534%0.34233%0.329SS..Hα-helixtrans-60.6-45.6174.7-72.7-32.6000110.5L27 D28 L29 Y34 L35 V42L27-N31 PolarHBondContact O-N 3.33Å; L27-N31 PolarHBondContact O-ND2 2.8Å; D28-N31 PolarHBondContact O-N 3.46Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.18Å; N31-Y34 PolarHBondContact O-N 3.31Å; N31-L35 WeakPolarHBondContact O-CG 3.47Å; N31-L35 PolarHBondContact O-N 3.48Å; N31-V42 WeakPolarHBondContact OD1-CG2 3.49Å
32R96.2Very high93.7Very high96 Ų9662.8 Ų62.836%0.36231%0.31SS..Hα-helixtrans-62.7-44.9176.9-167.9175.3179.6169.11.4112.7W17 D28 L29 K30 Y34 L35 E36W17-R32 VanDerWaalsContact CG-CZ 3.42Å; W17-R32 HydrophobicContact CH2-CB 4.27Å; W17-R32 HydrophobicContact CH2-CG 4.24Å; W17-R32 HydrophobicContact CZ2-CB 4.05Å; W17-R32 HydrophobicContact CZ2-CG 3.58Å; W17-R32 VanDerWaalsContact NE1-NE 3.11Å; D28-R32 WeakPolarHBondContact O-CB 3.22Å; D28-R32 PolarHBondContact O-N 3.08Å; L29-R32 WeakPolarHBondContact O-CB 3.41Å; L29-R32 PolarHBondContact O-N 3.29Å; L29-R32 VanDerWaalsContact O-N 3.14Å; K30-R32 VanDerWaalsContact C-N 3.34Å; R32-Y34 PolarHBondContact O-N 3.12Å; R32-L35 PolarHBondContact O-N 3.31Å; R32-E36 WeakPolarHBondContact CG-OE1 3.41Å; R32-E36 IonicContact CZ-OE1 3.08Å; R32-E36 IonicContact NE-OE1 2.87Å; R32-E36 PolarHBondContact NE-OE1 2.99Å; R32-E36 VanDerWaalsContact NE-OE1 3.08Å; R32-E36 IonicContact NH2-OE1 3.82Å; R32-E36 PolarHBondContact O-N 3.16Å; R32-E36 VanDerWaalsContact O-N 3.1Å
33I96.2Very high93.9Very high0 Ų063.1 Ų63.10%031%0.305CS..Hα-helixtrans-54.2-45.4173.2-64.8171.1000110.2V5 L15 W17 L29 K30 R37 I47 L78V5-I33 HydrophobicContact CG1-CD1 3.96Å; V5-I33 HydrophobicContact CG2-CD1 4.35Å; L15-I33 HydrophobicContact CD1-CB 4.26Å; L15-I33 HydrophobicContact CD1-CG1 4.02Å; L15-I33 HydrophobicContact CD1-CG2 4.26Å; W17-I33 HydrophobicContact CH2-CG1 3.63Å; W17-I33 HydrophobicContact CZ2-CG1 4.3Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 2.99Å; L29-I33 PolarHBondContact O-N 3.05Å; K30-I33 PolarHBondContact O-N 3.25Å; I33-R37 WeakPolarHBondContact O-CB 3.37Å; I33-R37 PolarHBondContact O-N 2.88Å; I33-I47 HydrophobicContact CD1-CD1 3.66Å; I33-L78 HydrophobicContact CD1-CD1 4.35Å; I33-L78 HydrophobicContact CD1-CD2 4.4Å; I33-L78 HydrophobicContact CG2-CD2 3.89Å
34Y95.8Very high94.1Very high86 Ų8664.2 Ų64.234%0.33730%0.298SS..Hα-helixtrans-68.5-39.1-179.2-179.3-107.4000112.6K30 N31 R32 E36 K38 Q41 V42K30-Y34 PolarHBondContact O-N 3.11Å; N31-Y34 PolarHBondContact O-N 3.31Å; R32-Y34 PolarHBondContact O-N 3.12Å; Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.85Å; Y34-K38 WeakPolarHBondContact CD2-O 3.27Å; Y34-K38 WeakPolarHBondContact CE2-O 3.29Å; Y34-K38 WeakPolarHBondContact O-CA 3.27Å; Y34-K38 PolarHBondContact O-N 3.4Å; Y34-Q41 HydrophobicContact CE2-CB 4.41Å; Y34-Q41 HydrophobicContact CE2-CG 4.04Å; Y34-V42 HydrophobicContact CD1-CG2 4.29Å; Y34-V42 HydrophobicContact CG-CG2 4Å
35L95.8Very high94.1Very high115 Ų11563.3 Ų63.360%0.60229%0.293SS*.Hα-helixtrans-61.5-41.9177.6-73.6172.2000112N31 R32 K38N31-L35 WeakPolarHBondContact O-CG 3.47Å; N31-L35 PolarHBondContact O-N 3.48Å; R32-L35 PolarHBondContact O-N 3.31Å; L35-K38 WeakPolarHBondContact O-CE 3.31Å; L35-K38 PolarHBondContact O-NZ 3.3Å
36E95.5Very high94.1Very high96 Ų9662.1 Ų62.145%0.44929%0.286SS..Hα-helixtrans-82.2-41.9-176.8-66.7179.8-147.500113L15 W17 R32 Y34L15-E36 HydrophobicContact CD2-CB 4.4Å; L15-E36 WeakPolarHBondContact CD2-OE2 3.35Å; W17-E36 PolarHBondContact NE1-OE1 3.23Å; W17-E36 PolarHBondContact NE1-OE2 2.91Å; R32-E36 WeakPolarHBondContact CG-OE1 3.41Å; R32-E36 IonicContact CZ-OE1 3.08Å; R32-E36 IonicContact NE-OE1 2.87Å; R32-E36 PolarHBondContact NE-OE1 2.99Å; R32-E36 VanDerWaalsContact NE-OE1 3.08Å; R32-E36 IonicContact NH2-OE1 3.82Å; R32-E36 PolarHBondContact O-N 3.16Å; R32-E36 VanDerWaalsContact O-N 3.1Å; Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.85Å
37R93.6Very high94.1Very high112 Ų11262.2 Ų62.242%0.42329%0.286SS..Hα-helixtrans-100.1-15.2-175.9-62.8-163.869.4-151.90.2115.2L15 I33 K39L15-R37 HydrophobicContact CD1-CG 4.11Å; L15-R37 HydrophobicContact CD2-CG 4.14Å; L15-R37 HydrophobicContact CG-CG 4.37Å; I33-R37 WeakPolarHBondContact O-CB 3.37Å; I33-R37 PolarHBondContact O-N 2.88Å; R37-K39 WeakPolarHBondContact CB-O 3.19Å; R37-K39 PolarHBondContact O-N 3.35Å
38K91.4Very high94.2Very high129 Ų12960.9 Ų60.956%0.56128%0.277SS*.  trans58.2-13.7-171.6-52.8-56.2-173.5-158.80116.1Y34 L35Y34-K38 WeakPolarHBondContact CD2-O 3.27Å; Y34-K38 WeakPolarHBondContact CE2-O 3.29Å; Y34-K38 WeakPolarHBondContact O-CA 3.27Å; Y34-K38 PolarHBondContact O-N 3.4Å; L35-K38 WeakPolarHBondContact O-CE 3.31Å; L35-K38 PolarHBondContact O-NZ 3.3Å
39K89.8Confident94Very high162 Ų16260.7 Ų60.770%0.70428%0.275SS*.  trans-143.9146.9174.6-69.1-177.9-178.21730110.7R37R37-K39 WeakPolarHBondContact CB-O 3.19Å; R37-K39 PolarHBondContact O-N 3.35Å
40P92Very high93.8Very high10 Ų1065.3 Ų65.37%0.06530%0.3CS..SBendcis-77.6158.8-5.933.7-33.6000111.4R44 Q45 D80P40-R44 HydrophobicContact CB-CB 4.07Å; P40-Q45 HydrophobicContact CG-CG 3.81Å; P40-Q45 PolarHBondContact O-NE2 2.81Å; P40-D80 HydrophobicContact CB-CB 4.17Å; P40-D80 HydrophobicContact CG-CB 4.04Å
41Q92.4Very high93.5Very high104 Ų10467.2 Ų67.249%0.48631%0.313SS..  trans-53.5147.4174.4-72.1174.5-3200110.8Y34 I43 R44 Q45Y34-Q41 HydrophobicContact CE2-CB 4.41Å; Y34-Q41 HydrophobicContact CE2-CG 4.04Å; Q41-I43 HydrophobicContact CB-CG2 4.32Å; Q41-I43 PolarHBondContact O-N 2.74Å; Q41-I43 VanDerWaalsContact O-N 3.09Å; Q41-R44 HydrophobicContact CB-CG 4.35Å; Q41-R44 WeakPolarHBondContact O-CA 3.22Å; Q41-R44 WeakPolarHBondContact O-CB 3.42Å; Q41-R44 PolarHBondContact O-N 2.84Å; Q41-Q45 PolarHBondContact O-N 3.49Å
42V93Very high93.2Very high31 Ų3175.9 Ų75.919%0.18834%0.341CS..G310 helixtrans-46.5-45.6-177.2176.40000112.5L27 K30 N31 Y34 R44 Q45L27-V42 HydrophobicContact CD1-CG1 4.07Å; K30-V42 HydrophobicContact CB-CG1 3.92Å; K30-V42 HydrophobicContact CD-CG1 4.35Å; N31-V42 WeakPolarHBondContact OD1-CG2 3.49Å; Y34-V42 HydrophobicContact CD1-CG2 4.29Å; Y34-V42 HydrophobicContact CG-CG2 4Å; V42-R44 PolarHBondContact O-N 3.41Å; V42-Q45 WeakPolarHBondContact O-CB 3.31Å; V42-Q45 PolarHBondContact O-N 3.48Å
43I91.2Very high92.8Very high78 Ų7872.2 Ų72.240%0.433%0.333SS..G310 helixtrans-64-22.5-179.7-157.2166.6000114.1Q41 Q84 T156Q41-I43 HydrophobicContact CB-CG2 4.32Å; Q41-I43 PolarHBondContact O-N 2.74Å; Q41-I43 VanDerWaalsContact O-N 3.09Å; I43-Q84 HydrophobicContact CG1-CB 4.14Å; I43-Q84 HydrophobicContact CG2-CB 4.28Å; I43-Q84 WeakPolarHBondContact O-CG 3.41Å; I43-T156 HydrophobicContact CD1-CG2 3.24Å; I43-T156 HydrophobicContact CG1-CG2 3.38Å
44R94Very high92.4Very high59 Ų5980.7 Ų80.722%0.22337%0.37CS..G310 helixtrans-93.9-1.4178.1-59.9176.748.3176.6-0.3112.8P40 Q41 V42 D80 I81 G82 Q84P40-R44 HydrophobicContact CB-CB 4.07Å; Q41-R44 HydrophobicContact CB-CG 4.35Å; Q41-R44 WeakPolarHBondContact O-CA 3.22Å; Q41-R44 WeakPolarHBondContact O-CB 3.42Å; Q41-R44 PolarHBondContact O-N 2.84Å; V42-R44 PolarHBondContact O-N 3.41Å; R44-D80 IonicContact CZ-OD1 2.67Å; R44-D80 IonicContact CZ-OD2 3.28Å; R44-D80 IonicContact NE-OD1 3.36Å; R44-D80 PolarHBondContact NE-OD1 2.87Å; R44-D80 IonicContact NE-OD2 3.45Å; R44-D80 VanDerWaalsContact NH2-CG 3.27Å; R44-D80 IonicContact NH2-OD1 3.46Å; R44-D80 PolarHBondContact NH2-OD1 3.47Å; R44-D80 VanDerWaalsContact NH2-OD1 3.09Å; R44-D80 IonicContact NH2-OD2 3.99Å; R44-D80 PolarHBondContact NH2-OD2 2.88Å; R44-D80 WeakPolarHBondContact O-CA 3.24Å; R44-I81 WeakPolarHBondContact O-CG1 3.08Å; R44-I81 PolarHBondContact O-N 2.65Å; R44-G82 WeakPolarHBondContact CG-O 3.46Å; R44-Q84 HydrophobicContact CG-CG 4.36Å
45Q94.2Very high92.2Very high3 Ų379.4 Ų79.41%0.01437%0.374CS..EExtended strand (participates in β ladder)trans-88.4122-179.9-63.7-179.230.800110.5K30 P40 Q41 V42 L78K30-Q45 HydrophobicContact CB-CB 4.48Å; K30-Q45 VanDerWaalsContact CB-OE1 3.26Å; K30-Q45 HydrophobicContact CD-CB 4.02Å; K30-Q45 WeakPolarHBondContact CE-O 3.17Å; K30-Q45 HydrophobicContact CG-CB 3.94Å; K30-Q45 PolarHBondContact NZ-O 3.44Å; K30-Q45 PolarHBondContact O-NE2 2.79Å; K30-Q45 VanDerWaalsContact O-NE2 3.09Å; K30-Q45 PolarHBondContact O-OE1 3.32Å; P40-Q45 HydrophobicContact CG-CG 3.81Å; P40-Q45 PolarHBondContact O-NE2 2.81Å; Q41-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 WeakPolarHBondContact O-CB 3.31Å; V42-Q45 PolarHBondContact O-N 3.48Å; Q45-L78 HydrophobicContact CB-CD1 3.76Å; Q45-L78 HydrophobicContact CG-CD1 3.83Å
46S94Very high91.9Very high6 Ų674.7 Ų74.74%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-109.1113.3165.2176.10000108.7R48 S55 K79S46-R48 PolarHBondContact OG-NE 3.43Å; S46-S55 VanDerWaalsContact OG-CB 3.27Å; S46-S55 WeakPolarHBondContact OG-CB 3.28Å; S46-S55 PolarHBondContact OG-OG 3.28Å; S46-K79 PolarHBondContact N-O 3.31Å; S46-K79 PolarHBondContact O-N 3.2Å
47I95Very high91.5Very high1 Ų173.4 Ų73.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-93.1135.7176.3-56.7-59.4000109.1I26 K30 I33 S55 I56 F76 Y77 L78I26-I47 HydrophobicContact CD1-CG2 4.27Å; I26-I47 HydrophobicContact CG2-CB 3.92Å; I26-I47 HydrophobicContact CG2-CG1 4Å; I26-I47 HydrophobicContact CG2-CG2 4.36Å; K30-I47 HydrophobicContact CG-CD1 4.4Å; K30-I47 HydrophobicContact CG-CG1 3.8Å; I33-I47 HydrophobicContact CD1-CD1 3.66Å; I47-S55 CarbonylContact O-C 3.49Å; I47-S55 WeakPolarHBondContact O-CA 3.17Å; I47-I56 HydrophobicContact CG2-CD1 4.29Å; I47-I56 PolarHBondContact O-N 3.43Å; I47-F76 HydrophobicContact CG2-CB 3.92Å; I47-F76 HydrophobicContact CG2-CD1 3.67Å; I47-F76 HydrophobicContact CG2-CE1 4.39Å; I47-F76 HydrophobicContact CG2-CG 3.86Å; I47-Y77 CarbonylContact C-O 3.29Å; I47-Y77 WeakPolarHBondContact CA-O 3.13Å; I47-L78 HydrophobicContact CD1-CB 4.37Å; I47-L78 HydrophobicContact CD1-CD1 3.7Å
48R94.9Very high91.4Very high37 Ų3770.5 Ų70.514%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-141.1155.5-172.7-52.1178.3175.3-144.1-18.1111S46 D50 P51 G53 F76 Y77S46-R48 PolarHBondContact OG-NE 3.43Å; R48-D50 VanDerWaalsContact CB-O 3.24Å; R48-D50 WeakPolarHBondContact CB-O 3.39Å; R48-P51 PolarHBondContact NH1-O 2.88Å; R48-G53 PolarHBondContact NH1-O 2.94Å; R48-F76 WeakPolarHBondContact O-CA 3.26Å; R48-Y77 PolarHBondContact N-O 2.79Å; R48-Y77 PolarHBondContact O-N 3.33Å
49L92.5Very high91.2Very high70 Ų7069.4 Ų69.437%0.36634%0.338SS..SBendtrans-81.7-33.6170.2-60.7175000112.1I56 F65 F76 Y77L49-I56 HydrophobicContact CD2-CD1 3.81Å; L49-I56 HydrophobicContact CG-CD1 3.87Å; L49-F65 HydrophobicContact CD1-CD1 3.56Å; L49-F65 HydrophobicContact CD1-CE1 3.96Å; L49-F65 HydrophobicContact CD1-CG 4.35Å; L49-F65 HydrophobicContact CD2-CB 3.78Å; L49-F65 HydrophobicContact CD2-CD1 3.89Å; L49-F65 HydrophobicContact CD2-CG 3.82Å; L49-F65 HydrophobicContact CG-CD1 4.19Å; L49-F76 HydrophobicContact CD2-CD1 4.1Å; L49-F76 HydrophobicContact CD2-CE1 3.78Å; L49-Y77 WeakPolarHBondContact O-CD2 3.36Å; L49-Y77 WeakPolarHBondContact O-CE2 3.2Å
50D91Very high91.2Very high101 Ų10165.6 Ų65.654%0.5432%0.322SS..SBendtrans-121.5150.3175.9-52.4-69.8000110.4R48 R52 G53R48-D50 VanDerWaalsContact CB-O 3.24Å; R48-D50 WeakPolarHBondContact CB-O 3.39Å; D50-R52 PolarHBondContact O-N 2.84Å; D50-R52 VanDerWaalsContact O-N 3.15Å; D50-G53 PolarHBondContact O-N 3.46Å
51P89.7Confident91.3Very high51 Ų5172 Ų7233%0.33135%0.345SS..THydrogen-bonded Turntrans-52.4-40.2174.6-26.734000113.2R48 Y77R48-P51 PolarHBondContact NH1-O 2.88Å; P51-Y77 HydrophobicContact CG-CD1 3.76Å; P51-Y77 HydrophobicContact CG-CD2 4.37Å; P51-Y77 HydrophobicContact CG-CE1 3.56Å; P51-Y77 HydrophobicContact CG-CE2 4.22Å; P51-Y77 HydrophobicContact CG-CG 4.15Å
52R88.3Confident91.2Very high246 Ų24667 Ų6793%0.92832%0.322SS*.THydrogen-bonded Turntrans-95.70.8179.1-62.5-175.7-178.4-178.71.4113.5D50D50-R52 PolarHBondContact O-N 2.84Å; D50-R52 VanDerWaalsContact O-N 3.15Å
53G88.5Confident91Very high19 Ų1967.8 Ų67.820%0.19633%0.328CS..SBendtrans-70.9178-178.800000113.8R48 D50R48-G53 PolarHBondContact NH1-O 2.94Å; D50-G53 PolarHBondContact O-N 3.46Å
54K88.2Confident90.8Very high178 Ų17868.8 Ų68.877%0.77433%0.331SS*.PPolyproline II helixtrans-78.3155.5173.5-68.5-179.9-176.6170.40110.6
55S90.7Very high90.5Very high60 Ų6068 Ų6842%0.4233%0.33SS..PPolyproline II helixtrans-65.9138.5168.5-157.20000109.5S46 I47S46-S55 VanDerWaalsContact OG-CB 3.27Å; S46-S55 WeakPolarHBondContact OG-CB 3.28Å; S46-S55 PolarHBondContact OG-OG 3.28Å; I47-S55 CarbonylContact O-C 3.49Å; I47-S55 WeakPolarHBondContact O-CA 3.17Å
56I91.1Very high89.7Confident15 Ų1571.8 Ų71.88%0.07735%0.347CS..PPolyproline II helixtrans-78.6145.1171.9-52.2175.8000108.8I26 I47 L49 K60 F65 F76I26-I56 HydrophobicContact CD1-CD1 4.24Å; I26-I56 HydrophobicContact CD1-CG2 4.17Å; I26-I56 HydrophobicContact CG1-CB 4.19Å; I26-I56 HydrophobicContact CG1-CG2 3.65Å; I47-I56 HydrophobicContact CG2-CD1 4.29Å; I47-I56 PolarHBondContact O-N 3.43Å; L49-I56 HydrophobicContact CD2-CD1 3.81Å; L49-I56 HydrophobicContact CG-CD1 3.87Å; I56-K60 HydrophobicContact CG2-CB 4.07Å; I56-K60 HydrophobicContact CG2-CD 3.97Å; I56-F65 HydrophobicContact CB-CZ 4.46Å; I56-F65 HydrophobicContact CD1-CD2 4.35Å; I56-F65 HydrophobicContact CD1-CE2 4.05Å; I56-F65 HydrophobicContact CD1-CZ 4.1Å; I56-F65 HydrophobicContact CG1-CZ 4.33Å; I56-F65 HydrophobicContact CG2-CE1 4.4Å; I56-F65 HydrophobicContact CG2-CE2 3.51Å; I56-F65 HydrophobicContact CG2-CZ 3.33Å; I56-F76 HydrophobicContact CD1-CD1 3.89Å; I56-F76 HydrophobicContact CD1-CE1 3.59Å
57D87Confident88.4Confident70 Ų7073.8 Ų73.837%0.37436%0.361SS..PPolyproline II helixtrans-68.5142.5173.7-172.1-85.5000111N59 K60D57-N59 PolarHBondContact O-N 3.32Å; D57-N59 WeakPolarHBondContact OD1-CB 3.26Å; D57-N59 PolarHBondContact OD1-N 3.16Å; D57-N59 PolarHBondContact OD1-ND2 2.92Å; D57-K60 HydrophobicContact CB-CD 4.38Å; D57-K60 HydrophobicContact CB-CG 4.15Å; D57-K60 PolarHBondContact O-N 3.47Å
58D89.9Confident86.5Confident50 Ų5080.4 Ų80.427%0.26740%0.402SS..THydrogen-bonded Turntrans-68.7-23.2-171.7-74.211.6000112.8L27 K30L27-D58 HydrophobicContact CB-CB 4.18Å; L27-D58 PolarHBondContact N-O 3.03Å; K30-D58 VanDerWaalsContact CE-OD1 3.24Å; K30-D58 WeakPolarHBondContact CE-OD1 3.47Å; K30-D58 IonicContact NZ-OD1 3.98Å; K30-D58 PolarHBondContact NZ-OD1 3.47Å; K30-D58 IonicContact NZ-OD2 2.59Å; K30-D58 PolarHBondContact NZ-OD2 3Å
59N88.2Confident84.5Confident106 Ų10685.3 Ų85.357%0.56743%0.431SS*.THydrogen-bonded Turntrans-86.4-9.9179.5-54-65000113.5D57D57-N59 PolarHBondContact O-N 3.32Å; D57-N59 WeakPolarHBondContact OD1-CB 3.26Å; D57-N59 PolarHBondContact OD1-N 3.16Å; D57-N59 PolarHBondContact OD1-ND2 2.92Å
60K90.5Very high83Confident82 Ų8290.9 Ų90.936%0.35745%0.452SS..  trans-71.1144.7179.3-75.5-170.8165.1-116.30111.2T25 I26 I56 D57 E64 F65T25-K60 WeakPolarHBondContact CA-O 3.44Å; I26-K60 HydrophobicContact CG1-CB 4.48Å; I26-K60 PolarHBondContact N-O 2.9Å; I56-K60 HydrophobicContact CG2-CB 4.07Å; I56-K60 HydrophobicContact CG2-CD 3.97Å; D57-K60 HydrophobicContact CB-CD 4.38Å; D57-K60 HydrophobicContact CB-CG 4.15Å; D57-K60 PolarHBondContact O-N 3.47Å; K60-E64 WeakPolarHBondContact CA-OE1 3.46Å; K60-E64 WeakPolarHBondContact CD-OE2 3.31Å; K60-E64 IonicContact NZ-OE2 3.3Å; K60-E64 PolarHBondContact NZ-OE2 3.36Å; K60-F65 HydrophobicContact CB-CE2 4.02Å; K60-F65 HydrophobicContact CB-CZ 4.22Å; K60-F65 HydrophobicContact CD-CE2 4.28Å; K60-F65 HydrophobicContact CD-CZ 3.63Å
61R92.6Very high81.8Confident145 Ų14589.3 Ų89.355%0.54745%0.449SS..BIsolated β-bridgetrans-86.3146177.9-66.6178.9176.2179.60.3110.3T24 S63 E64T24-R61 WeakPolarHBondContact O-CA 3.42Å; R61-S63 PolarHBondContact O-N 3.34Å; R61-E64 PolarHBondContact N-OE1 3.45Å; R61-E64 WeakPolarHBondContact O-CB 3.37Å; R61-E64 PolarHBondContact O-N 3.14Å; R61-E64 VanDerWaalsContact O-N 3.09Å
62I90.8Very high81.3Confident0 Ų087.9 Ų87.90%044%0.443CS..G310 helixtrans-60.8-30.1177.162.6169.5000112M1 V3 V20 P21 T24 I26 L29 E64 F65 I74 F76M1-I62 HydrophobicContact SD-CD1 4.1Å; M1-I62 HydrophobicContact SD-CG1 4.25Å; V3-I62 HydrophobicContact CG2-CD1 4.11Å; V20-I62 HydrophobicContact CB-CD1 4.15Å; V20-I62 HydrophobicContact CG1-CD1 3.52Å; P21-I62 WeakPolarHBondContact O-CD1 3.41Å; T24-I62 WeakPolarHBondContact O-CG2 3.18Å; T24-I62 PolarHBondContact O-N 3.32Å; I26-I62 HydrophobicContact CD1-CG2 4.33Å; L29-I62 HydrophobicContact CD1-CG2 3.55Å; L29-I62 HydrophobicContact CD2-CG2 4.43Å; L29-I62 HydrophobicContact CG-CG2 3.99Å; I62-E64 PolarHBondContact O-N 3.46Å; I62-F65 PolarHBondContact O-N 3.47Å; I62-I74 HydrophobicContact CB-CD1 4.39Å; I62-I74 WeakPolarHBondContact O-CD1 3.38Å; I62-F76 HydrophobicContact CB-CE2 4.38Å; I62-F76 HydrophobicContact CB-CZ 4.31Å; I62-F76 HydrophobicContact CG2-CE2 3.93Å; I62-F76 HydrophobicContact CG2-CZ 4.04Å
63S88Confident81.1Confident46 Ų4678 Ų7832%0.32241%0.412SS..G310 helixtrans-63.3-21.5177.262.90000113.8S22 R61 F65S22-S63 WeakPolarHBondContact O-CB 3.33Å; S22-S63 PolarHBondContact O-OG 2.95Å; R61-S63 PolarHBondContact O-N 3.34Å; S63-F65 PolarHBondContact O-N 3.47Å
64E88.5Confident81.2Confident100 Ų10077.4 Ų77.447%0.46740%0.404SS..G310 helixtrans-67.1-15.3174.5-68.4176-129.100112.8K60 R61 I62K60-E64 WeakPolarHBondContact CA-OE1 3.46Å; K60-E64 WeakPolarHBondContact CD-OE2 3.31Å; K60-E64 IonicContact NZ-OE2 3.3Å; K60-E64 PolarHBondContact NZ-OE2 3.36Å; R61-E64 PolarHBondContact N-OE1 3.45Å; R61-E64 WeakPolarHBondContact O-CB 3.37Å; R61-E64 PolarHBondContact O-N 3.14Å; R61-E64 VanDerWaalsContact O-N 3.09Å; I62-E64 PolarHBondContact O-N 3.46Å
65F87.2Confident81.4Confident43 Ų4372.2 Ų72.219%0.18938%0.384CS..G310 helixtrans-118.212.7-173.8-52.9-67000113.2I26 L49 I56 K60 I62 S63 S67 F76I26-F65 HydrophobicContact CD1-CE2 4.49Å; L49-F65 HydrophobicContact CD1-CD1 3.56Å; L49-F65 HydrophobicContact CD1-CE1 3.96Å; L49-F65 HydrophobicContact CD1-CG 4.35Å; L49-F65 HydrophobicContact CD2-CB 3.78Å; L49-F65 HydrophobicContact CD2-CD1 3.89Å; L49-F65 HydrophobicContact CD2-CG 3.82Å; L49-F65 HydrophobicContact CG-CD1 4.19Å; I56-F65 HydrophobicContact CB-CZ 4.46Å; I56-F65 HydrophobicContact CD1-CD2 4.35Å; I56-F65 HydrophobicContact CD1-CE2 4.05Å; I56-F65 HydrophobicContact CD1-CZ 4.1Å; I56-F65 HydrophobicContact CG1-CZ 4.33Å; I56-F65 HydrophobicContact CG2-CE1 4.4Å; I56-F65 HydrophobicContact CG2-CE2 3.51Å; I56-F65 HydrophobicContact CG2-CZ 3.33Å; K60-F65 HydrophobicContact CB-CE2 4.02Å; K60-F65 HydrophobicContact CB-CZ 4.22Å; K60-F65 HydrophobicContact CD-CE2 4.28Å; K60-F65 HydrophobicContact CD-CZ 3.63Å; I62-F65 PolarHBondContact O-N 3.47Å; S63-F65 PolarHBondContact O-N 3.47Å; F65-S67 PolarHBondContact O-N 2.9Å; F65-F76 HydrophobicContact CD2-CE1 4.23Å; F65-F76 HydrophobicContact CD2-CZ 4.29Å
66E77.7Confident81.6Confident82 Ų8269.4 Ų69.438%0.38337%0.365SS..  trans-61.8128.5173-166167.5-164.100109.6M1 I74M1-E66 HydrophobicContact CE-CB 3.8Å; M1-E66 HydrophobicContact CE-CG 3.6Å; M1-E66 WeakPolarHBondContact CE-OE2 3.41Å; E66-I74 HydrophobicContact CB-CD1 4.42Å
67S66.6Low81.9Confident47 Ų4770.6 Ų70.633%0.32937%0.369SS..  trans-61.1144.2174.4560000110.3F65 D69 K70F65-S67 PolarHBondContact O-N 2.9Å; S67-D69 PolarHBondContact O-N 3.36Å; S67-K70 PolarHBondContact O-N 3.26Å
68T54.5Low82.3Confident141 Ų14167.7 Ų67.787%0.86535%0.353SS*.THydrogen-bonded Turntrans-51.3-25.1174.9-0.80000113.6K70T68-K70 PolarHBondContact O-N 2.95Å
69D53.8Low82.6Confident139 Ų13969.2 Ų69.274%0.74336%0.357SS*.THydrogen-bonded Turntrans-70.62.9-177.8-64.1-15.2000114.4S67 S71S67-D69 PolarHBondContact O-N 3.36Å; D69-S71 PolarHBondContact O-N 3.32Å
70K59.5Low82.8Confident187 Ų18767.7 Ų67.781%0.81335%0.349SS*.  trans49.719.9175.5-64.7-178-179.6177.10114.7S67 T68 G72S67-K70 PolarHBondContact O-N 3.26Å; T68-K70 PolarHBondContact O-N 2.95Å; K70-G72 PolarHBondContact O-N 2.96Å
71S67.4Low82.9Confident69 Ų6966.9 Ų66.948%0.48335%0.348SS..  trans-67.4-5.4-178.963.90000112.9D69 C73D69-S71 PolarHBondContact O-N 3.32Å; S71-C73 PolarHBondContact O-N 3.34Å; S71-C73 VanDerWaalsContact O-N 3.11Å; S71-C73 PolarHBondContact O-SG 3.25Å; S71-C73 VanDerWaalsContact O-SG 3.36Å; S71-C73 PolarHBondContact OG-N 2.83Å
72G77.5Confident82.9Confident20 Ų2060.9 Ų60.921%0.20633%0.331CS..SBendtrans64.510.5-175.400000113.5M1 K2 K70M1-G72 CarbonylContact C-O 3.53Å; M1-G72 WeakPolarHBondContact CA-O 3.05Å; K2-G72 PolarHBondContact N-O 3.14Å; K70-G72 PolarHBondContact O-N 2.96Å
73C85.2Confident83.1Confident40 Ų4064.5 Ų64.527%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-110.1133.7-174.7-67.20000111.7K2 F4 S71K2-C73 CarbonylContact O-C 3.58Å; K2-C73 VanDerWaalsContact O-CA 3.29Å; K2-C73 WeakPolarHBondContact O-CA 3.47Å; F4-C73 HydrophobicContact CE2-CB 4.19Å; S71-C73 PolarHBondContact O-N 3.34Å; S71-C73 VanDerWaalsContact O-N 3.11Å; S71-C73 PolarHBondContact O-SG 3.25Å; S71-C73 VanDerWaalsContact O-SG 3.36Å; S71-C73 PolarHBondContact OG-N 2.83Å
74I90.4Very high83.4Confident5 Ų563.7 Ų63.73%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-129.4132176.3-59.5175.2000109.9M1 K2 V3 F4 I62 E66 F76M1-I74 HydrophobicContact CE-CD1 3.47Å; M1-I74 VanDerWaalsContact CE-CD1 3.47Å; M1-I74 HydrophobicContact CE-CG1 4.15Å; M1-I74 HydrophobicContact SD-CD1 4.32Å; K2-I74 PolarHBondContact O-N 3.5Å; V3-I74 WeakPolarHBondContact CA-O 3.31Å; F4-I74 PolarHBondContact N-O 3.27Å; I62-I74 HydrophobicContact CB-CD1 4.39Å; I62-I74 WeakPolarHBondContact O-CD1 3.38Å; E66-I74 HydrophobicContact CB-CD1 4.42Å; I74-F76 HydrophobicContact CB-CE2 4.37Å; I74-F76 HydrophobicContact CG2-CD1 4.44Å; I74-F76 HydrophobicContact CG2-CD2 3.97Å; I74-F76 HydrophobicContact CG2-CE1 4.03Å; I74-F76 HydrophobicContact CG2-CE2 3.5Å; I74-F76 HydrophobicContact CG2-CG 4.42Å; I74-F76 HydrophobicContact CG2-CZ 3.54Å
75N92.1Very high83.6Confident69 Ų6960.4 Ų60.437%0.36933%0.331SS..EExtended strand (participates in β ladder)trans-103125171.2-71.3-81000110F4 R6F4-N75 VanDerWaalsContact CB-OD1 3.31Å; F4-N75 WeakPolarHBondContact CB-OD1 3.25Å; R6-N75 PolarHBondContact NE-OD1 3.23Å
76F95.4Very high83.8Confident1 Ų159.6 Ų59.60%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-114148.9170.4-71.1-62.5000110.5V3 F4 V5 R6 I26 L29 I47 R48 L49 I56 I62 F65 I74V3-F76 HydrophobicContact CG1-CD2 3.72Å; V3-F76 HydrophobicContact CG1-CE2 4.04Å; F4-F76 PolarHBondContact O-N 3.31Å; V5-F76 CarbonylContact C-O 3.56Å; V5-F76 WeakPolarHBondContact CA-O 3.43Å; R6-F76 PolarHBondContact N-O 3.36Å; I26-F76 HydrophobicContact CD1-CE1 4.02Å; I26-F76 HydrophobicContact CD1-CZ 3.95Å; L29-F76 HydrophobicContact CD1-CD2 3.69Å; L29-F76 HydrophobicContact CD1-CE2 3.5Å; L29-F76 HydrophobicContact CD1-CZ 4.3Å; I47-F76 HydrophobicContact CG2-CB 3.92Å; I47-F76 HydrophobicContact CG2-CD1 3.67Å; I47-F76 HydrophobicContact CG2-CE1 4.39Å; I47-F76 HydrophobicContact CG2-CG 3.86Å; R48-F76 WeakPolarHBondContact O-CA 3.26Å; L49-F76 HydrophobicContact CD2-CD1 4.1Å; L49-F76 HydrophobicContact CD2-CE1 3.78Å; I56-F76 HydrophobicContact CD1-CD1 3.89Å; I56-F76 HydrophobicContact CD1-CE1 3.59Å; I62-F76 HydrophobicContact CB-CE2 4.38Å; I62-F76 HydrophobicContact CB-CZ 4.31Å; I62-F76 HydrophobicContact CG2-CE2 3.93Å; I62-F76 HydrophobicContact CG2-CZ 4.04Å; F65-F76 HydrophobicContact CD2-CE1 4.23Å; F65-F76 HydrophobicContact CD2-CZ 4.29Å; I74-F76 HydrophobicContact CB-CE2 4.37Å; I74-F76 HydrophobicContact CG2-CD1 4.44Å; I74-F76 HydrophobicContact CG2-CD2 3.97Å; I74-F76 HydrophobicContact CG2-CE1 4.03Å; I74-F76 HydrophobicContact CG2-CE2 3.5Å; I74-F76 HydrophobicContact CG2-CG 4.42Å; I74-F76 HydrophobicContact CG2-CZ 3.54Å
77Y96.4Very high84.5Confident41 Ų4158.7 Ų58.716%0.16133%0.328CS..EExtended strand (participates in β ladder)trans-110.1127.8172.3-63.1-93.8000111.1R6 C8 D11 I47 R48 L49 P51R6-Y77 HydrophobicContact CB-CD1 3.88Å; R6-Y77 HydrophobicContact CB-CE1 4.02Å; R6-Y77 CarbonylContact O-C 3.43Å; R6-Y77 VanDerWaalsContact O-CA 3.32Å; R6-Y77 WeakPolarHBondContact O-CA 3.27Å; C8-Y77 WeakPolarHBondContact SG-CB 3.2Å; D11-Y77 VanDerWaalsContact OD1-CE1 3.26Å; D11-Y77 WeakPolarHBondContact OD1-CE1 3.3Å; I47-Y77 CarbonylContact C-O 3.29Å; I47-Y77 WeakPolarHBondContact CA-O 3.13Å; R48-Y77 PolarHBondContact N-O 2.79Å; R48-Y77 PolarHBondContact O-N 3.33Å; L49-Y77 WeakPolarHBondContact O-CD2 3.36Å; L49-Y77 WeakPolarHBondContact O-CE2 3.2Å; P51-Y77 HydrophobicContact CG-CD1 3.76Å; P51-Y77 HydrophobicContact CG-CD2 4.37Å; P51-Y77 HydrophobicContact CG-CE1 3.56Å; P51-Y77 HydrophobicContact CG-CE2 4.22Å; P51-Y77 HydrophobicContact CG-CG 4.15Å
78L96.2Very high85.7Confident8 Ų862.6 Ų62.64%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-95.7124.9175.8176.364.8000110.3V5 R6 C8 L14 I33 Q45 I47V5-L78 HydrophobicContact CG1-CB 3.8Å; R6-L78 PolarHBondContact O-N 3.11Å; C8-L78 PolarHBondContact N-O 2.91Å; L14-L78 HydrophobicContact CD1-CB 4.21Å; L14-L78 HydrophobicContact CD1-CD2 3.88Å; I33-L78 HydrophobicContact CD1-CD1 4.35Å; I33-L78 HydrophobicContact CD1-CD2 4.4Å; I33-L78 HydrophobicContact CG2-CD2 3.89Å; Q45-L78 HydrophobicContact CB-CD1 3.76Å; Q45-L78 HydrophobicContact CG-CD1 3.83Å; I47-L78 HydrophobicContact CD1-CB 4.37Å; I47-L78 HydrophobicContact CD1-CD1 3.7Å
79K95Very high87.6Confident83 Ų8359.4 Ų59.436%0.36132%0.316SS..EExtended strand (participates in β ladder)trans-117.7126.3168.5-175.5175-177.5174.30110.3C8 S46 I81C8-K79 HydrophobicContact CB-CB 4.19Å; S46-K79 PolarHBondContact N-O 3.31Å; S46-K79 PolarHBondContact O-N 3.2Å; K79-I81 HydrophobicContact CG-CG2 4.41Å; K79-I81 PolarHBondContact O-N 2.86Å
80D93.9Very high89.6Confident74 Ų7452.8 Ų52.840%0.39628%0.28SS..EExtended strand (participates in β ladder)trans-75.8116.7164.1-173.2-5.2000109.5P40 R44 G82P40-D80 HydrophobicContact CB-CB 4.17Å; P40-D80 HydrophobicContact CG-CB 4.04Å; R44-D80 IonicContact CZ-OD1 2.67Å; R44-D80 IonicContact CZ-OD2 3.28Å; R44-D80 IonicContact NE-OD1 3.36Å; R44-D80 PolarHBondContact NE-OD1 2.87Å; R44-D80 IonicContact NE-OD2 3.45Å; R44-D80 VanDerWaalsContact NH2-CG 3.27Å; R44-D80 IonicContact NH2-OD1 3.46Å; R44-D80 PolarHBondContact NH2-OD1 3.47Å; R44-D80 VanDerWaalsContact NH2-OD1 3.09Å; R44-D80 IonicContact NH2-OD2 3.99Å; R44-D80 PolarHBondContact NH2-OD2 2.88Å; R44-D80 WeakPolarHBondContact O-CA 3.24Å; D80-G82 VanDerWaalsContact C-N 3.3Å; D80-G82 PolarHBondContact OD1-N 3.06Å
81I92.5Very high91.2Very high65 Ų6545.5 Ų45.533%0.33325%0.249SC..  trans-89.95.6179.658.8168.8000113.2R44 K79 Q84R44-I81 WeakPolarHBondContact O-CG1 3.08Å; R44-I81 PolarHBondContact O-N 2.65Å; K79-I81 HydrophobicContact CG-CG2 4.41Å; K79-I81 PolarHBondContact O-N 2.86Å; I81-Q84 VanDerWaalsContact CD1-CD 3.49Å; I81-Q84 HydrophobicContact CD1-CG 3.9Å; I81-Q84 HydrophobicContact CG1-CG 4.15Å; I81-Q84 PolarHBondContact O-NE2 2.62Å
82G93.2Very high92.7Very high18 Ų1844.7 Ų44.719%0.18624%0.239CC..  trans76.6-179.5-179.500000113.1R44 D80 Q84R44-G82 WeakPolarHBondContact CG-O 3.46Å; D80-G82 VanDerWaalsContact C-N 3.3Å; D80-G82 PolarHBondContact OD1-N 3.06Å; G82-Q84 WeakPolarHBondContact O-CG 3.32Å; G82-Q84 PolarHBondContact O-N 2.83Å; G82-Q84 PolarHBondContact O-NE2 2.99Å
83P94.1Very high93.6Very high77 Ų7746.6 Ų46.650%0.525%0.246SC..  trans-53.2131.5-176.1-26.635000113.2L159P83-L159 HydrophobicContact CB-CB 4.08Å; P83-L159 HydrophobicContact CB-CD2 4.2Å; P83-L159 PolarHBondContact O-N 3.39Å
84Q94.1Very high94.2Very high29 Ų2944.9 Ų44.914%0.13623%0.234CC..EExtended strand (participates in β ladder)trans-119.3149.3-176.3-65.3-55.6-61.500110.7I43 R44 I81 G82 T156 M157I43-Q84 HydrophobicContact CG1-CB 4.14Å; I43-Q84 HydrophobicContact CG2-CB 4.28Å; I43-Q84 WeakPolarHBondContact O-CG 3.41Å; R44-Q84 HydrophobicContact CG-CG 4.36Å; I81-Q84 VanDerWaalsContact CD1-CD 3.49Å; I81-Q84 HydrophobicContact CD1-CG 3.9Å; I81-Q84 HydrophobicContact CG1-CG 4.15Å; I81-Q84 PolarHBondContact O-NE2 2.62Å; G82-Q84 WeakPolarHBondContact O-CG 3.32Å; G82-Q84 PolarHBondContact O-N 2.83Å; G82-Q84 PolarHBondContact O-NE2 2.99Å; Q84-T156 HydrophobicContact CB-CG2 3.92Å; Q84-T156 PolarHBondContact OE1-OG1 3.09Å; Q84-M157 VanDerWaalsContact OE1-C 3.27Å; Q84-M157 PolarHBondContact OE1-O 3.35Å
85I92.8Very high94.5Very high30 Ų3045 Ų4515%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-130.2141.6173-175.7170.7000109.8T89 V90 T156 M157 L159 L162I85-T89 HydrophobicContact CD1-CG2 3.87Å; I85-T89 HydrophobicContact CG1-CG2 4.25Å; I85-V90 HydrophobicContact CB-CG2 4.33Å; I85-V90 HydrophobicContact CD1-CG2 4.33Å; I85-V90 HydrophobicContact CG1-CG2 4.13Å; I85-V90 HydrophobicContact CG2-CG2 3.45Å; I85-V90 VanDerWaalsContact CG2-CG2 3.45Å; I85-T156 CarbonylContact O-C 3.55Å; I85-T156 WeakPolarHBondContact O-CA 3.27Å; I85-T156 VanDerWaalsContact O-CB 3.23Å; I85-T156 WeakPolarHBondContact O-CB 3.25Å; I85-M157 WeakPolarHBondContact CG2-O 3.3Å; I85-M157 PolarHBondContact N-O 3.28Å; I85-M157 PolarHBondContact O-N 3.01Å; I85-L159 HydrophobicContact CB-CD1 4.2Å; I85-L159 HydrophobicContact CD1-CD1 4.29Å; I85-L159 HydrophobicContact CG2-CD1 4.15Å; I85-L162 HydrophobicContact CD1-CD2 3.81Å
86G91.9Very high94.8Very high26 Ų2644.6 Ų44.627%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-65.8138.2179.600000112.6R88 T89 V90 A155G86-R88 VanDerWaalsContact C-N 3.27Å; G86-R88 PolarHBondContact O-N 2.97Å; G86-T89 WeakPolarHBondContact O-CB 3.3Å; G86-T89 PolarHBondContact O-N 3.36Å; G86-V90 WeakPolarHBondContact O-CG2 3.25Å; G86-V90 PolarHBondContact O-N 3.41Å; G86-A155 WeakPolarHBondContact CA-O 3.28Å
87W91.3Very high95Very high64 Ų6445 Ų4524%0.24224%0.239CC..Hα-helixtrans-56.7-37.2-177.6-83.298.7000114.2T89 V90 F91 F152 A155 T156 M157W87-T89 VanDerWaalsContact C-N 3.34Å; W87-T89 PolarHBondContact O-N 2.78Å; W87-V90 WeakPolarHBondContact O-CB 3.18Å; W87-V90 PolarHBondContact O-N 2.91Å; W87-F91 HydrophobicContact CE3-CD1 4.25Å; W87-F91 AromaticContact CE3-CE1 3.64Å; W87-F91 HydrophobicContact CE3-CE1 3.64Å; W87-F91 HydrophobicContact CE3-CZ 4.01Å; W87-F91 AromaticContact CZ3-CE1 3.76Å; W87-F91 HydrophobicContact CZ3-CE1 3.76Å; W87-F91 HydrophobicContact CZ3-CZ 4.25Å; W87-F91 PolarHBondContact O-N 3.12Å; W87-F152 HydrophobicContact CB-CB 4.31Å; W87-F152 HydrophobicContact CB-CD1 3.51Å; W87-F152 HydrophobicContact CB-CD2 4.27Å; W87-F152 HydrophobicContact CB-CE1 3.82Å; W87-F152 HydrophobicContact CB-CG 3.76Å; W87-F152 HydrophobicContact CB-CZ 4.34Å; W87-F152 HydrophobicContact CG-CD1 4.08Å; W87-A155 PolarHBondContact N-O 3.26Å; W87-T156 VanDerWaalsContact NE1-C 3.27Å; W87-T156 PolarHBondContact NE1-O 2.96Å; W87-M157 HydrophobicContact CD2-CB 4.44Å; W87-M157 HydrophobicContact CH2-CB 4.13Å; W87-M157 HydrophobicContact CH2-CG 4.11Å; W87-M157 HydrophobicContact CH2-SD 3.78Å; W87-M157 HydrophobicContact CZ2-CB 3.87Å; W87-M157 HydrophobicContact CZ2-CG 4.18Å; W87-M157 HydrophobicContact CZ2-SD 4.44Å; W87-M157 HydrophobicContact CZ3-SD 3.99Å
88R92.5Very high95.1Very high129 Ų12943 Ų4349%0.48723%0.231SC..Hα-helixtrans-58.9-47.4175.7-175.4176175.2-179.9-4.6111.2G86 V90 F91 L92 T146 F152G86-R88 VanDerWaalsContact C-N 3.27Å; G86-R88 PolarHBondContact O-N 2.97Å; R88-V90 VanDerWaalsContact C-N 3.34Å; R88-F91 PolarHBondContact O-N 2.81Å; R88-L92 HydrophobicContact CG-CD1 4.19Å; R88-L92 VanDerWaalsContact O-CG 3.26Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 3.24Å; R88-T146 HydrophobicContact CG-CG2 4.04Å; R88-F152 HydrophobicContact CB-CE2 4.07Å
89T94.2Very high95.2Very high73 Ų7344.4 Ų44.445%0.44824%0.238SC..Hα-helixtrans-64.3-40.7177.5-50.50000111.3I85 G86 W87 F91 L92 V93I85-T89 HydrophobicContact CD1-CG2 3.87Å; I85-T89 HydrophobicContact CG1-CG2 4.25Å; G86-T89 WeakPolarHBondContact O-CB 3.3Å; G86-T89 PolarHBondContact O-N 3.36Å; W87-T89 VanDerWaalsContact C-N 3.34Å; W87-T89 PolarHBondContact O-N 2.78Å; T89-F91 PolarHBondContact O-N 3.29Å; T89-L92 PolarHBondContact O-N 3.5Å; T89-V93 HydrophobicContact CG2-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CG2 3.25Å; T89-V93 PolarHBondContact O-N 2.89Å
90V95Very high95.3Very high0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-54.9-55175.6174.40000110.5I85 G86 W87 R88 L92 V93 E94 M157 L162I85-V90 HydrophobicContact CB-CG2 4.33Å; I85-V90 HydrophobicContact CD1-CG2 4.33Å; I85-V90 HydrophobicContact CG1-CG2 4.13Å; I85-V90 HydrophobicContact CG2-CG2 3.45Å; I85-V90 VanDerWaalsContact CG2-CG2 3.45Å; G86-V90 WeakPolarHBondContact O-CG2 3.25Å; G86-V90 PolarHBondContact O-N 3.41Å; W87-V90 WeakPolarHBondContact O-CB 3.18Å; W87-V90 PolarHBondContact O-N 2.91Å; R88-V90 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 3.23Å; V90-V93 PolarHBondContact O-N 3.44Å; V90-E94 WeakPolarHBondContact O-CB 3.41Å; V90-E94 PolarHBondContact O-N 2.88Å; V90-M157 HydrophobicContact CB-CE 4.32Å; V90-M157 HydrophobicContact CG1-CE 3.51Å; V90-M157 HydrophobicContact CG1-SD 4.35Å; V90-M157 HydrophobicContact CG2-CB 4.37Å; V90-M157 HydrophobicContact CG2-CE 3.76Å; V90-L162 HydrophobicContact CB-CD1 4.34Å; V90-L162 HydrophobicContact CG1-CD1 4.06Å; V90-L162 HydrophobicContact CG2-CD1 4.32Å
91F95.1Very high95.6Very high34 Ų3442.1 Ų42.115%0.14923%0.232CC..Hα-helixtrans-64.9-37.9-178-76.83.4000112.8W87 R88 T89 E94 Y95 T146 H150 F152W87-F91 HydrophobicContact CE3-CD1 4.25Å; W87-F91 AromaticContact CE3-CE1 3.64Å; W87-F91 HydrophobicContact CE3-CE1 3.64Å; W87-F91 HydrophobicContact CE3-CZ 4.01Å; W87-F91 AromaticContact CZ3-CE1 3.76Å; W87-F91 HydrophobicContact CZ3-CE1 3.76Å; W87-F91 HydrophobicContact CZ3-CZ 4.25Å; W87-F91 PolarHBondContact O-N 3.12Å; R88-F91 PolarHBondContact O-N 2.81Å; T89-F91 PolarHBondContact O-N 3.29Å; F91-E94 PolarHBondContact O-N 3.34Å; F91-Y95 HydrophobicContact CB-CD2 4.03Å; F91-Y95 HydrophobicContact CB-CE2 3.67Å; F91-Y95 HydrophobicContact CD1-CE2 4.36Å; F91-Y95 HydrophobicContact CD2-CE2 4.04Å; F91-Y95 AromaticContact CG-CE2 3.8Å; F91-Y95 HydrophobicContact CG-CE2 3.8Å; F91-Y95 WeakPolarHBondContact O-CB 3.47Å; F91-Y95 WeakPolarHBondContact O-CD2 3.47Å; F91-Y95 VanDerWaalsContact O-CG 3.24Å; F91-Y95 PolarHBondContact O-N 3.46Å; F91-T146 HydrophobicContact CB-CG2 3.62Å; F91-T146 HydrophobicContact CD2-CG2 4.42Å; F91-H150 AromaticContact CD2-ND1 3.94Å; F91-H150 AromaticContact CE2-ND1 3.98Å; F91-F152 AromaticContact CD2-CE1 3.67Å; F91-F152 HydrophobicContact CD2-CE1 3.67Å; F91-F152 AromaticContact CD2-CZ 3.57Å; F91-F152 HydrophobicContact CD2-CZ 3.57Å; F91-F152 AromaticContact CE2-CE1 3.42Å; F91-F152 HydrophobicContact CE2-CE1 3.42Å; F91-F152 VanDerWaalsContact CE2-CE1 3.42Å; F91-F152 AromaticContact CE2-CZ 3.83Å; F91-F152 HydrophobicContact CE2-CZ 3.83Å; F91-F152 HydrophobicContact CG-CZ 4.44Å; F91-F152 HydrophobicContact CZ-CE1 4.16Å
92L97.2Very high95.8Very high53 Ų5339 Ų3928%0.27722%0.216SC..Hα-helixtrans-60.9-47.4175-72174.7000111.7R88 T89 V90 T96 L143 T146 V147R88-L92 HydrophobicContact CG-CD1 4.19Å; R88-L92 VanDerWaalsContact O-CG 3.26Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 3.24Å; T89-L92 PolarHBondContact O-N 3.5Å; V90-L92 PolarHBondContact O-N 3.23Å; L92-T96 WeakPolarHBondContact O-CB 3.33Å; L92-T96 PolarHBondContact O-N 2.87Å; L92-T96 PolarHBondContact O-OG1 2.92Å; L92-L143 HydrophobicContact CD2-CD2 3.77Å; L92-T146 HydrophobicContact CD2-CG2 4.18Å; L92-T146 HydrophobicContact CG-CG2 4.08Å; L92-V147 HydrophobicContact CD2-CG2 3.93Å
93V97.5Very high96.1Very high60 Ų6039.6 Ų39.636%0.36422%0.219SC..Hα-helixtrans-66.4-47178.5175.60000110.7T89 V90 Y95 T96 G97 L162 F170T89-V93 HydrophobicContact CG2-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CG2 3.25Å; T89-V93 PolarHBondContact O-N 2.89Å; V90-V93 PolarHBondContact O-N 3.44Å; V93-Y95 VanDerWaalsContact C-N 3.33Å; V93-Y95 PolarHBondContact O-N 3.38Å; V93-T96 PolarHBondContact O-N 3.31Å; V93-G97 PolarHBondContact O-N 3.41Å; V93-L162 HydrophobicContact CB-CD1 4.41Å; V93-L162 HydrophobicContact CG1-CD1 4.38Å; V93-F170 HydrophobicContact CG1-CZ 4.44Å; V93-F170 WeakPolarHBondContact O-CE1 3.39Å; V93-F170 WeakPolarHBondContact O-CZ 3.35Å
94E96.5Very high96.3Very high3 Ų339.9 Ų39.91%0.01422%0.215CC..Hα-helixtrans-57-41.3-179.9179.4178.912400113V90 F91 P98 N165 Y169 F170V90-E94 WeakPolarHBondContact O-CB 3.41Å; V90-E94 PolarHBondContact O-N 2.88Å; F91-E94 PolarHBondContact O-N 3.34Å; E94-P98 WeakPolarHBondContact O-CD 3.41Å; E94-P98 WeakPolarHBondContact O-CG 3.39Å; E94-N165 WeakPolarHBondContact OE2-CB 3.25Å; E94-N165 PolarHBondContact OE2-ND2 3.32Å; E94-Y169 VanDerWaalsContact CD-CD2 3.49Å; E94-Y169 HydrophobicContact CG-CD2 3.22Å; E94-Y169 HydrophobicContact CG-CE2 3.52Å; E94-Y169 HydrophobicContact CG-CG 3.83Å; E94-Y169 WeakPolarHBondContact OE1-CE2 3.41Å; E94-Y169 VanDerWaalsContact OE1-CZ 3.27Å; E94-Y169 PolarHBondContact OE1-OH 3.17Å; E94-F170 WeakPolarHBondContact O-CE1 3.36Å
95Y98.1Very high96.4Very high9 Ų939 Ų394%0.03521%0.212CC..Hα-helixtrans-92.3-22.9-176.9-58.7-33.8000113.9F91 V93 P98 Y139 R142 Y169F91-Y95 HydrophobicContact CB-CD2 4.03Å; F91-Y95 HydrophobicContact CB-CE2 3.67Å; F91-Y95 HydrophobicContact CD1-CE2 4.36Å; F91-Y95 HydrophobicContact CD2-CE2 4.04Å; F91-Y95 AromaticContact CG-CE2 3.8Å; F91-Y95 HydrophobicContact CG-CE2 3.8Å; F91-Y95 WeakPolarHBondContact O-CB 3.47Å; F91-Y95 WeakPolarHBondContact O-CD2 3.47Å; F91-Y95 VanDerWaalsContact O-CG 3.24Å; F91-Y95 PolarHBondContact O-N 3.46Å; V93-Y95 VanDerWaalsContact C-N 3.33Å; V93-Y95 PolarHBondContact O-N 3.38Å; Y95-P98 WeakPolarHBondContact O-CD 3.28Å; Y95-Y139 HydrophobicContact CD1-CD1 4.08Å; Y95-Y139 HydrophobicContact CD1-CE1 4.07Å; Y95-Y139 HydrophobicContact CG-CD1 4.37Å; Y95-R142 HydrophobicContact CD2-CB 3.71Å; Y95-R142 HydrophobicContact CE2-CB 4.05Å; Y95-R142 HydrophobicContact CG-CB 4Å; Y95-Y169 HydrophobicContact CE1-CE1 4.33Å
96T98.4Very high96.6Very high60 Ų6039.5 Ų39.537%0.36821%0.212SC..Hα-helixtrans-67.2-40.8174.7-61.60000111.1L92 V93 L99 V100L92-T96 WeakPolarHBondContact O-CB 3.33Å; L92-T96 PolarHBondContact O-N 2.87Å; L92-T96 PolarHBondContact O-OG1 2.92Å; V93-T96 PolarHBondContact O-N 3.31Å; T96-L99 PolarHBondContact O-N 3.48Å; T96-V100 HydrophobicContact CG2-CG2 3.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.42Å; T96-V100 PolarHBondContact O-N 3.26Å
97G98.2Very high96.8Very high9 Ų942.4 Ų42.49%0.09322%0.221CC..Hα-helixtrans-58.3-52.4-179.600000113.6V93 L99 V100 I101 F170V93-G97 PolarHBondContact O-N 3.41Å; G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 2.85Å; G97-V100 PolarHBondContact O-N 3.46Å; G97-I101 VanDerWaalsContact O-CB 3.24Å; G97-I101 WeakPolarHBondContact O-CB 3.49Å; G97-I101 WeakPolarHBondContact O-CG1 3.49Å; G97-I101 PolarHBondContact O-N 2.89Å; G97-F170 VanDerWaalsContact CA-CE1 3.43Å
98P98.5Very high97Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-58.5-37.8177.8-29.537.1000114.7E94 Y95 Y102 W135 Y139 Y169 F170 A173E94-P98 WeakPolarHBondContact O-CD 3.41Å; E94-P98 WeakPolarHBondContact O-CG 3.39Å; Y95-P98 WeakPolarHBondContact O-CD 3.28Å; P98-Y102 VanDerWaalsContact O-CB 3.27Å; P98-Y102 WeakPolarHBondContact O-CB 3.27Å; P98-Y102 PolarHBondContact O-N 2.92Å; P98-W135 HydrophobicContact CB-CZ2 3.97Å; P98-W135 PolarHBondContact O-NE1 3.32Å; P98-Y139 HydrophobicContact CB-CD1 3.85Å; P98-Y139 HydrophobicContact CB-CD2 3.86Å; P98-Y139 HydrophobicContact CB-CE1 3.49Å; P98-Y139 VanDerWaalsContact CB-CE1 3.49Å; P98-Y139 HydrophobicContact CB-CE2 3.54Å; P98-Y139 HydrophobicContact CB-CG 4.02Å; P98-Y139 HydrophobicContact CG-CD1 4.21Å; P98-Y139 HydrophobicContact CG-CE1 3.66Å; P98-Y169 HydrophobicContact CG-CD1 4.48Å; P98-Y169 HydrophobicContact CG-CG 4.49Å; P98-F170 HydrophobicContact CG-CD1 4.34Å; P98-A173 VanDerWaalsContact CA-CB 3.46Å; P98-A173 HydrophobicContact CB-CB 3.85Å; P98-A173 HydrophobicContact CG-CB 4.4Å
99L98.5Very high97.2Very high36 Ų3636.4 Ų36.419%0.18820%0.203CC..Hα-helixtrans-62.6-52.7175.5178.261.7000110.7T96 G97 A103 I140 L143T96-L99 PolarHBondContact O-N 3.48Å; G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 2.85Å; L99-A103 VanDerWaalsContact O-CB 3.27Å; L99-A103 WeakPolarHBondContact O-CB 3.37Å; L99-A103 PolarHBondContact O-N 2.83Å; L99-A103 VanDerWaalsContact O-N 3.16Å; L99-I140 HydrophobicContact CD1-CD1 4.36Å; L99-I140 HydrophobicContact CD1-CG1 4.08Å; L99-I140 HydrophobicContact CD2-CG1 3.91Å; L99-L143 HydrophobicContact CD2-CD1 3.86Å
100V98.6Very high97.2Very high68 Ų6833.9 Ų33.941%0.41219%0.186SC..Hα-helixtrans-68.6-46.6-176.4172.70000111.6T96 G97 A103 I104T96-V100 HydrophobicContact CG2-CG2 3.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.42Å; T96-V100 PolarHBondContact O-N 3.26Å; G97-V100 PolarHBondContact O-N 3.46Å; V100-A103 PolarHBondContact O-N 2.81Å; V100-I104 HydrophobicContact CG1-CD1 3.56Å; V100-I104 HydrophobicContact CG1-CG1 4.24Å; V100-I104 WeakPolarHBondContact O-CB 3.24Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.44Å
101I98.6Very high97.2Very high41 Ų4136.4 Ų36.421%0.2120%0.203CC..Hα-helixtrans-62.4-48.5-177-70.1167.2000110.6G97 A103 I104 V105 F170 A173 L174G97-I101 VanDerWaalsContact O-CB 3.24Å; G97-I101 WeakPolarHBondContact O-CB 3.49Å; G97-I101 WeakPolarHBondContact O-CG1 3.49Å; G97-I101 PolarHBondContact O-N 2.89Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.91Å; I101-I104 PolarHBondContact O-N 3.35Å; I101-V105 WeakPolarHBondContact O-CG2 3.37Å; I101-V105 PolarHBondContact O-N 3.38Å; I101-F170 HydrophobicContact CD1-CB 3.47Å; I101-F170 VanDerWaalsContact CD1-CB 3.47Å; I101-F170 HydrophobicContact CD1-CD2 3.78Å; I101-F170 HydrophobicContact CD1-CG 3.69Å; I101-A173 HydrophobicContact CB-CB 4.16Å; I101-A173 HydrophobicContact CG2-CB 4.04Å; I101-L174 HydrophobicContact CG2-CB 3.87Å; I101-L174 HydrophobicContact CG2-CD1 4.41Å
102Y98.5Very high97.1Very high0 Ų041.9 Ų41.90%023%0.227CC..Hα-helixtrans-63-43.4178.8-168.9-72.5000111P98 I104 V105 W106 L132 W135 I176 N181P98-Y102 VanDerWaalsContact O-CB 3.27Å; P98-Y102 WeakPolarHBondContact O-CB 3.27Å; P98-Y102 PolarHBondContact O-N 2.92Å; Y102-I104 PolarHBondContact O-N 2.7Å; Y102-V105 PolarHBondContact O-N 3.22Å; Y102-W106 HydrophobicContact CE1-CB 4.48Å; Y102-W106 WeakPolarHBondContact O-CB 3.26Å; Y102-W106 PolarHBondContact O-N 2.87Å; Y102-L132 HydrophobicContact CD1-CD1 3.57Å; Y102-L132 HydrophobicContact CE1-CB 4.12Å; Y102-L132 HydrophobicContact CE1-CD1 3.67Å; Y102-W135 VanDerWaalsContact CB-CD1 3.49Å; Y102-W135 AromaticContact CD1-CD1 3.99Å; Y102-W135 HydrophobicContact CD1-CG 4.27Å; Y102-W135 AromaticContact CD2-CD1 3.83Å; Y102-W135 AromaticContact CD2-CD2 3.63Å; Y102-W135 HydrophobicContact CD2-CD2 3.63Å; Y102-W135 AromaticContact CD2-CE2 3.61Å; Y102-W135 HydrophobicContact CD2-CE3 4.22Å; Y102-W135 AromaticContact CD2-CG 3.78Å; Y102-W135 HydrophobicContact CD2-CG 3.78Å; Y102-W135 HydrophobicContact CD2-CZ2 4.19Å; Y102-W135 AromaticContact CD2-NE1 3.74Å; Y102-W135 HydrophobicContact CE2-CD2 4.06Å; Y102-W135 HydrophobicContact CE2-CE3 4.33Å; Y102-W135 HydrophobicContact CE2-CG 4.14Å; Y102-W135 AromaticContact CG-CD1 3.49Å; Y102-W135 VanDerWaalsContact CG-CD1 3.49Å; Y102-W135 HydrophobicContact CG-CD2 4.12Å; Y102-W135 AromaticContact CG-CE2 3.95Å; Y102-W135 AromaticContact CG-CG 3.85Å; Y102-W135 HydrophobicContact CG-CG 3.85Å; Y102-W135 AromaticContact CG-NE1 3.56Å; Y102-I176 HydrophobicContact CE2-CG2 4.07Å; Y102-N181 PolarHBondContact OH-ND2 3.48Å
103A98.1Very high96.8Very high30 Ų3043.5 Ų43.525%0.24824%0.235CC..Hα-helixtrans-60.3-44.217700000111.9L99 V100 I101 W106 L107L99-A103 VanDerWaalsContact O-CB 3.27Å; L99-A103 WeakPolarHBondContact O-CB 3.37Å; L99-A103 PolarHBondContact O-N 2.83Å; L99-A103 VanDerWaalsContact O-N 3.16Å; V100-A103 PolarHBondContact O-N 2.81Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 2.91Å; A103-W106 PolarHBondContact O-N 3.17Å; A103-L107 WeakPolarHBondContact O-CB 3.43Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.48Å
104I97.6Very high96.2Very high83 Ų8348.8 Ų48.843%0.42625%0.253SS..Hα-helixtrans-61-48.3176.1-71.7170.3000110.6V100 I101 Y102 W106 L107 L108V100-I104 HydrophobicContact CG1-CD1 3.56Å; V100-I104 HydrophobicContact CG1-CG1 4.24Å; V100-I104 WeakPolarHBondContact O-CB 3.24Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.45Å; V100-I104 PolarHBondContact O-N 3.44Å; I101-I104 PolarHBondContact O-N 3.35Å; Y102-I104 PolarHBondContact O-N 2.7Å; I104-W106 VanDerWaalsContact C-N 3.29Å; I104-W106 PolarHBondContact O-N 2.93Å; I104-L107 PolarHBondContact O-N 3.09Å; I104-L108 HydrophobicContact CG2-CD1 3.68Å; I104-L108 HydrophobicContact CG2-CG 4.12Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.92Å
105V97Very high95.8Very high11 Ų1150.6 Ų50.67%0.06726%0.263CS..Hα-helixtrans-61.1-41.6179.3175.50000111.1I101 Y102 R109 L174 G177I101-V105 WeakPolarHBondContact O-CG2 3.37Å; I101-V105 PolarHBondContact O-N 3.38Å; Y102-V105 PolarHBondContact O-N 3.22Å; V105-R109 WeakPolarHBondContact O-CG 3.22Å; V105-R109 PolarHBondContact O-N 3.48Å; V105-L174 HydrophobicContact CG2-CD1 3.75Å; V105-G177 VanDerWaalsContact CG1-C 3.46Å; V105-G177 WeakPolarHBondContact CG1-O 3.27Å
106W97Very high95.2Very high40 Ų4057.9 Ų57.915%0.15230%0.302CS..Hα-helixtrans-64.6-42.6176.4-174.895.7000112.2Y102 A103 I104 R109 Q110 M121 K129 L132 N181Y102-W106 HydrophobicContact CE1-CB 4.48Å; Y102-W106 WeakPolarHBondContact O-CB 3.26Å; Y102-W106 PolarHBondContact O-N 2.87Å; A103-W106 PolarHBondContact O-N 3.17Å; I104-W106 VanDerWaalsContact C-N 3.29Å; I104-W106 PolarHBondContact O-N 2.93Å; W106-R109 PolarHBondContact O-N 3.49Å; W106-Q110 HydrophobicContact CE3-CG 4.32Å; W106-Q110 VanDerWaalsContact CH2-CD 3.43Å; W106-Q110 HydrophobicContact CH2-CG 4.38Å; W106-Q110 HydrophobicContact CZ3-CG 4.01Å; W106-Q110 PolarHBondContact O-NE2 3.46Å; W106-M121 HydrophobicContact CZ2-CE 4.47Å; W106-K129 HydrophobicContact CZ2-CG 4.24Å; W106-L132 HydrophobicContact CB-CD1 4.28Å; W106-L132 HydrophobicContact CD2-CD2 3.64Å; W106-L132 HydrophobicContact CE3-CD2 4.01Å; W106-L132 HydrophobicContact CG-CD1 4.2Å; W106-L132 HydrophobicContact CG-CD2 3.98Å; W106-L132 HydrophobicContact CH2-CD2 4.42Å; W106-L132 HydrophobicContact CZ2-CD2 4.08Å; W106-L132 HydrophobicContact CZ3-CD2 4.39Å; W106-N181 VanDerWaalsContact CD1-OD1 3.3Å
107L96.2Very high94.9Very high88 Ų8861 Ų6146%0.46132%0.321SS..Hα-helixtrans-64.2-47.3177.7-75.1169.7000111.3A103 I104 R109 Q110 L113A103-L107 WeakPolarHBondContact O-CB 3.43Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3.09Å; L107-R109 PolarHBondContact O-N 3.46Å; L107-R109 VanDerWaalsContact O-N 3.1Å; L107-Q110 WeakPolarHBondContact O-CB 3.5Å; L107-Q110 VanDerWaalsContact O-CG 3.3Å; L107-Q110 WeakPolarHBondContact O-CG 3.1Å; L107-Q110 PolarHBondContact O-N 2.98Å; L107-Q110 VanDerWaalsContact O-N 3.08Å; L107-L113 WeakPolarHBondContact O-CD1 3.46Å
108L96.5Very high94.6Very high67 Ų6762.3 Ų62.335%0.35133%0.326SS..Hα-helixtrans-63.3-17.9-179.3-70.9176.3000113.9I104 L118I104-L108 HydrophobicContact CG2-CD1 3.68Å; I104-L108 HydrophobicContact CG2-CG 4.12Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.92Å; L108-L118 HydrophobicContact CB-CD1 3.99Å; L108-L118 HydrophobicContact CD1-CD1 4.02Å
109R95.4Very high94.3Very high0 Ų064.6 Ų64.60%034%0.34CS..THydrogen-bonded Turntrans-101.910.9178-66.2-169.8176-835.8113.8V105 W106 L107 L118 P119 P120 M121 Y178 N181V105-R109 WeakPolarHBondContact O-CG 3.22Å; V105-R109 PolarHBondContact O-N 3.48Å; W106-R109 PolarHBondContact O-N 3.49Å; L107-R109 PolarHBondContact O-N 3.46Å; L107-R109 VanDerWaalsContact O-N 3.1Å; R109-L118 HydrophobicContact CG-CB 4.33Å; R109-P119 PolarHBondContact NH1-O 3.49Å; R109-P120 CarbonylContact O-C 3.36Å; R109-P120 VanDerWaalsContact O-CA 3.29Å; R109-P120 WeakPolarHBondContact O-CA 3.27Å; R109-M121 HydrophobicContact CB-CG 3.91Å; R109-M121 WeakPolarHBondContact O-CG 3.42Å; R109-M121 PolarHBondContact O-N 3.05Å; R109-Y178 VanDerWaalsContact NH2-CD2 3.33Å; R109-N181 WeakPolarHBondContact CD-O 3.27Å
110Q95.5Very high94.2Very high19 Ų1965 Ų659%0.08935%0.345CS..  trans-68138.3174.5-66.4-56.1-58.500111.8W106 L107 F112 L113W106-Q110 HydrophobicContact CE3-CG 4.32Å; W106-Q110 VanDerWaalsContact CH2-CD 3.43Å; W106-Q110 HydrophobicContact CH2-CG 4.38Å; W106-Q110 HydrophobicContact CZ3-CG 4.01Å; W106-Q110 PolarHBondContact O-NE2 3.46Å; L107-Q110 WeakPolarHBondContact O-CB 3.5Å; L107-Q110 VanDerWaalsContact O-CG 3.3Å; L107-Q110 WeakPolarHBondContact O-CG 3.1Å; L107-Q110 PolarHBondContact O-N 2.98Å; L107-Q110 VanDerWaalsContact O-N 3.08Å; Q110-F112 HydrophobicContact CB-CD1 3.63Å; Q110-F112 HydrophobicContact CB-CE1 3.23Å; Q110-F112 HydrophobicContact CB-CE2 4.18Å; Q110-F112 HydrophobicContact CB-CG 4.26Å; Q110-F112 HydrophobicContact CB-CZ 3.53Å; Q110-F112 HydrophobicContact CG-CD1 4.38Å; Q110-F112 HydrophobicContact CG-CE1 3.53Å; Q110-F112 HydrophobicContact CG-CZ 3.71Å; Q110-F112 PolarHBondContact O-N 3.35Å; Q110-F112 VanDerWaalsContact O-N 3.14Å; Q110-L113 PolarHBondContact O-N 3.5Å; Q110-L113 VanDerWaalsContact O-N 3.09Å
111P93.5Very high94Very high54 Ų5462 Ų6235%0.35133%0.327SS..G310 helixtrans-53.8-35.3-179.6-2834.8000114.6L113 K114 F125P111-L113 VanDerWaalsContact C-N 3.28Å; P111-L113 PolarHBondContact O-N 3.46Å; P111-K114 PolarHBondContact O-N 3.27Å; P111-F125 HydrophobicContact CG-CE1 3.64Å; P111-F125 HydrophobicContact CG-CZ 3.71Å
112F92.8Very high93.6Very high149 Ų14963.9 Ų63.965%0.65434%0.344SS*.G310 helixtrans-69.8-20.9-177.661.8-101.1000114Q110Q110-F112 HydrophobicContact CB-CD1 3.63Å; Q110-F112 HydrophobicContact CB-CE1 3.23Å; Q110-F112 HydrophobicContact CB-CE2 4.18Å; Q110-F112 HydrophobicContact CB-CG 4.26Å; Q110-F112 HydrophobicContact CB-CZ 3.53Å; Q110-F112 HydrophobicContact CG-CD1 4.38Å; Q110-F112 HydrophobicContact CG-CE1 3.53Å; Q110-F112 HydrophobicContact CG-CZ 3.71Å; Q110-F112 PolarHBondContact O-N 3.35Å; Q110-F112 VanDerWaalsContact O-N 3.14Å
113L91.8Very high93.4Very high87 Ų8765.8 Ų65.846%0.45536%0.357SS..G310 helixtrans-79.2-17.6178.4-70-177.8000113.5L107 Q110 P111 N115L107-L113 WeakPolarHBondContact O-CD1 3.46Å; Q110-L113 PolarHBondContact O-N 3.5Å; Q110-L113 VanDerWaalsContact O-N 3.09Å; P111-L113 VanDerWaalsContact C-N 3.28Å; P111-L113 PolarHBondContact O-N 3.46Å; L113-N115 PolarHBondContact O-N 2.91Å; L113-N115 VanDerWaalsContact O-N 3.11Å
114K85.7Confident93.2Very high170 Ų17066.9 Ų66.974%0.73936%0.359SS*.  trans43.545.9-177.7-62-176.4179.4-179.80113.1P111 N116P111-K114 PolarHBondContact O-N 3.27Å; K114-N116 PolarHBondContact O-N 3Å
115N87.1Confident93Very high41 Ų4166.8 Ų66.822%0.21936%0.355CS..  trans-71.3118.3-175.6-174.4-22.7000111.1L113 V117 L118L113-N115 PolarHBondContact O-N 2.91Å; L113-N115 VanDerWaalsContact O-N 3.11Å; N115-V117 PolarHBondContact OD1-N 3.49Å; N115-L118 WeakPolarHBondContact CB-O 3.41Å; N115-L118 CarbonylContact O-C 3.52Å; N115-L118 VanDerWaalsContact O-O 3.11Å; N115-L118 PolarHBondContact OD1-N 2.98Å; N115-L118 VanDerWaalsContact OD1-N 3.08Å
116N86.5Confident93Very high162 Ų16273.1 Ų73.187%0.86638%0.379SS*.SBendtrans-73.9-25.8-179.3-67-26000113.4K114K114-N116 PolarHBondContact O-N 3Å
117V91Very high93Very high125 Ų12571.4 Ų71.476%0.75837%0.373SS*.SBendtrans-83.7-39.9-179.8-178.80000110.8N115N115-V117 PolarHBondContact OD1-N 3.49Å
118L91.5Very high93Very high38 Ų3867.2 Ų67.220%0.19935%0.351CS..SBendtrans-117.794.8176-67176.6000109.2L108 R109 N115 Y178L108-L118 HydrophobicContact CB-CD1 3.99Å; L108-L118 HydrophobicContact CD1-CD1 4.02Å; R109-L118 HydrophobicContact CG-CB 4.33Å; N115-L118 WeakPolarHBondContact CB-O 3.41Å; N115-L118 CarbonylContact O-C 3.52Å; N115-L118 VanDerWaalsContact O-O 3.11Å; N115-L118 PolarHBondContact OD1-N 2.98Å; N115-L118 VanDerWaalsContact OD1-N 3.08Å; L118-Y178 HydrophobicContact CD2-CE2 4.17Å
119P93.6Very high93.1Very high47 Ų4769.9 Ų69.931%0.30536%0.359SS..PPolyproline II helixtrans-53.1139-179-27.533.8000111.7R109 H183R109-P119 PolarHBondContact NH1-O 3.49Å; P119-H183 HydrophobicContact CB-CB 4.07Å
120P95.1Very high93.2Very high45 Ų4571 Ų7129%0.29237%0.366SS..PPolyproline II helixtrans-67.2158.3-17526.6-33.9000112.1R109 S122 H183R109-P120 CarbonylContact O-C 3.36Å; R109-P120 VanDerWaalsContact O-CA 3.29Å; R109-P120 WeakPolarHBondContact O-CA 3.27Å; P120-S122 PolarHBondContact O-N 3.37Å; P120-H183 WeakPolarHBondContact O-CB 3.39Å
121M94.6Very high93.3Very high6 Ų670.1 Ų70.13%0.0336%0.362CS..PPolyproline II helixtrans-59.6134.8170.6-59.1-167.6-73.700110.2W106 R109 F125 R128 N181W106-M121 HydrophobicContact CZ2-CE 4.47Å; R109-M121 HydrophobicContact CB-CG 3.91Å; R109-M121 WeakPolarHBondContact O-CG 3.42Å; R109-M121 PolarHBondContact O-N 3.05Å; M121-F125 HydrophobicContact CB-CD1 4.49Å; M121-F125 HydrophobicContact CB-CE1 3.81Å; M121-F125 HydrophobicContact CB-CZ 4.26Å; M121-F125 HydrophobicContact CE-CD1 4.44Å; M121-F125 HydrophobicContact CE-CE1 4.46Å; M121-F125 VanDerWaalsContact O-CZ 3.25Å; M121-F125 WeakPolarHBondContact O-CZ 3.44Å; M121-R128 HydrophobicContact SD-CB 4.23Å; M121-R128 WeakPolarHBondContact SD-CD 3.5Å; M121-R128 HydrophobicContact SD-CG 4.36Å; M121-N181 HydrophobicContact CG-CB 4.42Å; M121-N181 WeakPolarHBondContact CG-O 3.38Å; M121-N181 HydrophobicContact SD-CB 3.82Å
122S91.1Very high93.6Very high80 Ų8069 Ų6956%0.55935%0.353SS*.  trans-110.5-22.6-17652.90000113.2P120 H183P120-S122 PolarHBondContact O-N 3.37Å; S122-H183 PolarHBondContact OG-O 3.08Å
123S93.7Very high93.8Very high39 Ų3964.8 Ų64.827%0.27335%0.346SS..SBendtrans-145.9171.6-170.771.20000112.4F125 R128S123-F125 PolarHBondContact O-N 2.89Å; S123-R128 VanDerWaalsContact O-CZ 3.26Å; S123-R128 PolarHBondContact O-NE 3.44Å; S123-R128 PolarHBondContact O-NH2 2.77Å; S123-R128 PolarHBondContact OG-NH2 3.48Å; S123-R128 VanDerWaalsContact OG-NH2 3.17Å
124D93.7Very high94.2Very high54 Ų5461 Ų6129%0.28933%0.327SS..  trans56.329.4166-53-66.5000115.3Y126 L127 R128 Y185D124-Y126 PolarHBondContact O-N 2.97Å; D124-Y126 VanDerWaalsContact O-N 3.09Å; D124-L127 HydrophobicContact CB-CB 4.44Å; D124-L127 PolarHBondContact O-N 2.98Å; D124-R128 WeakPolarHBondContact O-CG 3.08Å; D124-R128 PolarHBondContact O-N 3.48Å; D124-Y185 HydrophobicContact CB-CD1 4.4Å; D124-Y185 HydrophobicContact CB-CE1 4.28Å
125F94.7Very high94.8Very high81 Ų8153 Ų5336%0.35529%0.292SS..Hα-helixtrans-54-34.6-177.2-67.7-83.7000113.3P111 M121 S123 K129P111-F125 HydrophobicContact CG-CE1 3.64Å; P111-F125 HydrophobicContact CG-CZ 3.71Å; M121-F125 HydrophobicContact CB-CD1 4.49Å; M121-F125 HydrophobicContact CB-CE1 3.81Å; M121-F125 HydrophobicContact CB-CZ 4.26Å; M121-F125 HydrophobicContact CE-CD1 4.44Å; M121-F125 HydrophobicContact CE-CE1 4.46Å; M121-F125 VanDerWaalsContact O-CZ 3.25Å; M121-F125 WeakPolarHBondContact O-CZ 3.44Å; S123-F125 PolarHBondContact O-N 2.89Å; F125-K129 WeakPolarHBondContact O-CB 3.29Å; F125-K129 WeakPolarHBondContact O-CE 3.37Å; F125-K129 VanDerWaalsContact O-CG 3.27Å; F125-K129 WeakPolarHBondContact O-CG 3.3Å; F125-K129 PolarHBondContact O-N 3.3Å
126Y95.5Very high95.3Very high143 Ų14352 Ų5256%0.56129%0.289SS*.Hα-helixtrans-59.5-56.3175.1172-100.1000111.3D124 R128 K129 V130D124-Y126 PolarHBondContact O-N 2.97Å; D124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 2.84Å; Y126-K129 PolarHBondContact O-N 2.94Å; Y126-V130 HydrophobicContact CE1-CG2 4.11Å; Y126-V130 HydrophobicContact CE2-CG2 4.08Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3Å
127L97.2Very high95.9Very high4 Ų446 Ų462%0.02127%0.265CS..Hα-helixtrans-58.7-43.8179.9176.565.4000111.5D124 K129 V130 A131 Y185 P188 I195 M263D124-L127 HydrophobicContact CB-CB 4.44Å; D124-L127 PolarHBondContact O-N 2.98Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3Å; L127-V130 PolarHBondContact O-N 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.35Å; L127-Y185 HydrophobicContact CD2-CE1 3.81Å; L127-Y185 WeakPolarHBondContact CD2-OH 3.41Å; L127-P188 HydrophobicContact CD2-CG 4.08Å; L127-I195 HydrophobicContact CB-CD1 4.45Å; L127-I195 HydrophobicContact CD1-CB 4.32Å; L127-I195 HydrophobicContact CD1-CD1 3.87Å; L127-I195 HydrophobicContact CD1-CG1 3.78Å; L127-I195 HydrophobicContact CD1-CG2 3.64Å; L127-I195 HydrophobicContact CD2-CD1 4.19Å; L127-I195 HydrophobicContact CG-CD1 4.41Å; L127-M263 HydrophobicContact CD1-CG 3.94Å
128R97Very high96.3Very high1 Ų140.1 Ų40.10%0.00423%0.229CC..Hα-helixtrans-67.4-33.5-178.7-61-179.5-160.5-1587.4112.3M121 S123 D124 Y126 L132 N181 H182M121-R128 HydrophobicContact SD-CB 4.23Å; M121-R128 WeakPolarHBondContact SD-CD 3.5Å; M121-R128 HydrophobicContact SD-CG 4.36Å; S123-R128 VanDerWaalsContact O-CZ 3.26Å; S123-R128 PolarHBondContact O-NE 3.44Å; S123-R128 PolarHBondContact O-NH2 2.77Å; S123-R128 PolarHBondContact OG-NH2 3.48Å; S123-R128 VanDerWaalsContact OG-NH2 3.17Å; D124-R128 WeakPolarHBondContact O-CG 3.08Å; D124-R128 PolarHBondContact O-N 3.48Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 2.84Å; R128-L132 WeakPolarHBondContact O-CB 3.42Å; R128-L132 PolarHBondContact O-N 3.36Å; R128-N181 VanDerWaalsContact NH1-C 3.32Å; R128-N181 PolarHBondContact NH1-O 3.47Å; R128-N181 VanDerWaalsContact NH1-O 3.11Å; R128-H182 PolarHBondContact NH1-O 2.99Å; R128-H182 PolarHBondContact NH2-O 3.36Å
129K97.5Very high96.6Very high122 Ų12238.4 Ų38.453%0.5322%0.22SC..Hα-helixtrans-66.7-42.5170.2-77.5-175.5-64.2-179.40111.9W106 F125 Y126 L127 L132 A133W106-K129 HydrophobicContact CZ2-CG 4.24Å; F125-K129 WeakPolarHBondContact O-CB 3.29Å; F125-K129 WeakPolarHBondContact O-CE 3.37Å; F125-K129 VanDerWaalsContact O-CG 3.27Å; F125-K129 WeakPolarHBondContact O-CG 3.3Å; F125-K129 PolarHBondContact O-N 3.3Å; Y126-K129 PolarHBondContact O-N 2.94Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3Å; K129-L132 PolarHBondContact O-N 3Å; K129-A133 WeakPolarHBondContact O-CB 3.49Å; K129-A133 PolarHBondContact O-N 2.93Å
130V98.1Very high96.9Very high24 Ų2439.9 Ų39.915%0.14522%0.224CC..Hα-helixtrans-62.9-44.5174.8175.60000110.6Y126 L127 L132 A133 C134 F199 M263Y126-V130 HydrophobicContact CE1-CG2 4.11Å; Y126-V130 HydrophobicContact CE2-CG2 4.08Å; Y126-V130 WeakPolarHBondContact O-CG2 3.48Å; Y126-V130 PolarHBondContact O-N 3Å; L127-V130 PolarHBondContact O-N 3.29Å; V130-L132 PolarHBondContact O-N 3.44Å; V130-A133 PolarHBondContact O-N 3.05Å; V130-C134 WeakPolarHBondContact O-CB 3.2Å; V130-C134 PolarHBondContact O-N 2.96Å; V130-C134 PolarHBondContact O-SG 3.37Å; V130-F199 HydrophobicContact CG1-CD2 3.88Å; V130-F199 HydrophobicContact CG1-CE2 4.3Å; V130-M263 HydrophobicContact CG1-CE 4.43Å; V130-M263 HydrophobicContact CG1-SD 3.77Å
131A98.3Very high97Very high0 Ų039.3 Ų39.30%022%0.217CC..Hα-helixtrans-60.4-45.2176.400000112L127 A133 C134 W135 T180 F260 M263 T264L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.35Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.49Å; A131-C134 PolarHBondContact O-N 2.91Å; A131-W135 VanDerWaalsContact O-CB 3.22Å; A131-W135 WeakPolarHBondContact O-CB 3.48Å; A131-W135 PolarHBondContact O-N 3.2Å; A131-T180 HydrophobicContact CB-CG2 4.07Å; A131-F260 HydrophobicContact CB-CE2 4.25Å; A131-F260 HydrophobicContact CB-CZ 4.1Å; A131-F260 WeakPolarHBondContact O-CE2 3.35Å; A131-M263 HydrophobicContact CB-CE 4.27Å; A131-T264 HydrophobicContact CB-CG2 3.86Å
132L98.4Very high97.2Very high30 Ų3039.5 Ų39.516%0.15722%0.218CC..Hα-helixtrans-58.3-45.5172.8175.469.1000111.6Y102 W106 R128 K129 V130 W135 S136Y102-L132 HydrophobicContact CD1-CD1 3.57Å; Y102-L132 HydrophobicContact CE1-CB 4.12Å; Y102-L132 HydrophobicContact CE1-CD1 3.67Å; W106-L132 HydrophobicContact CB-CD1 4.28Å; W106-L132 HydrophobicContact CD2-CD2 3.64Å; W106-L132 HydrophobicContact CE3-CD2 4.01Å; W106-L132 HydrophobicContact CG-CD1 4.2Å; W106-L132 HydrophobicContact CG-CD2 3.98Å; W106-L132 HydrophobicContact CH2-CD2 4.42Å; W106-L132 HydrophobicContact CZ2-CD2 4.08Å; W106-L132 HydrophobicContact CZ3-CD2 4.39Å; R128-L132 WeakPolarHBondContact O-CB 3.42Å; R128-L132 PolarHBondContact O-N 3.36Å; K129-L132 PolarHBondContact O-N 3Å; V130-L132 PolarHBondContact O-N 3.44Å; L132-W135 PolarHBondContact O-N 3.49Å; L132-S136 WeakPolarHBondContact O-CB 2.89Å; L132-S136 PolarHBondContact O-N 3.43Å; L132-S136 PolarHBondContact O-OG 3.14Å
133A98.6Very high97.5Very high62 Ų6237 Ų3751%0.51220%0.198SC..Hα-helixtrans-65.2-44.8-179.500000112K129 V130 A131 G137K129-A133 WeakPolarHBondContact O-CB 3.49Å; K129-A133 PolarHBondContact O-N 2.93Å; V130-A133 PolarHBondContact O-N 3.05Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.49Å; A133-G137 WeakPolarHBondContact O-CA 3.49Å; A133-G137 PolarHBondContact O-N 2.96Å
134C98.8Very high97.8Very high8 Ų839.5 Ų39.55%0.05421%0.208CC..Hα-helixtrans-61.4-49.1174.6-73.80000111.4V130 A131 G137 H138 F202 F260 M263V130-C134 WeakPolarHBondContact O-CB 3.2Å; V130-C134 PolarHBondContact O-N 2.96Å; V130-C134 PolarHBondContact O-SG 3.37Å; A131-C134 PolarHBondContact O-N 2.91Å; C134-G137 PolarHBondContact O-N 2.75Å; C134-H138 PolarHBondContact O-N 3.39Å; C134-F202 HydrophobicContact CB-CD1 3.95Å; C134-F202 HydrophobicContact CB-CE1 3.52Å; C134-F202 HydrophobicContact CB-CE2 4.22Å; C134-F202 HydrophobicContact CB-CG 4.45Å; C134-F202 HydrophobicContact CB-CZ 3.68Å; C134-F202 VanDerWaalsContact O-CZ 3.26Å; C134-F202 WeakPolarHBondContact O-CZ 3.18Å; C134-F260 HydrophobicContact CB-CD2 4.02Å; C134-F260 HydrophobicContact CB-CE2 3.9Å; C134-M263 HydrophobicContact CB-CE 4.26Å
135W98.7Very high97.9Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-59.6-53.1179-177.8-85.9000111.5P98 Y102 A131 L132 G137 H138 Y139 A173 I176 W257 F260P98-W135 HydrophobicContact CB-CZ2 3.97Å; P98-W135 PolarHBondContact O-NE1 3.32Å; Y102-W135 VanDerWaalsContact CB-CD1 3.49Å; Y102-W135 AromaticContact CD1-CD1 3.99Å; Y102-W135 HydrophobicContact CD1-CG 4.27Å; Y102-W135 AromaticContact CD2-CD1 3.83Å; Y102-W135 AromaticContact CD2-CD2 3.63Å; Y102-W135 HydrophobicContact CD2-CD2 3.63Å; Y102-W135 AromaticContact CD2-CE2 3.61Å; Y102-W135 HydrophobicContact CD2-CE3 4.22Å; Y102-W135 AromaticContact CD2-CG 3.78Å; Y102-W135 HydrophobicContact CD2-CG 3.78Å; Y102-W135 HydrophobicContact CD2-CZ2 4.19Å; Y102-W135 AromaticContact CD2-NE1 3.74Å; Y102-W135 HydrophobicContact CE2-CD2 4.06Å; Y102-W135 HydrophobicContact CE2-CE3 4.33Å; Y102-W135 HydrophobicContact CE2-CG 4.14Å; Y102-W135 AromaticContact CG-CD1 3.49Å; Y102-W135 VanDerWaalsContact CG-CD1 3.49Å; Y102-W135 HydrophobicContact CG-CD2 4.12Å; Y102-W135 AromaticContact CG-CE2 3.95Å; Y102-W135 AromaticContact CG-CG 3.85Å; Y102-W135 HydrophobicContact CG-CG 3.85Å; Y102-W135 AromaticContact CG-NE1 3.56Å; A131-W135 VanDerWaalsContact O-CB 3.22Å; A131-W135 WeakPolarHBondContact O-CB 3.48Å; A131-W135 PolarHBondContact O-N 3.2Å; L132-W135 PolarHBondContact O-N 3.49Å; W135-G137 VanDerWaalsContact C-N 3.35Å; W135-G137 PolarHBondContact O-N 2.96Å; W135-H138 PolarHBondContact O-N 2.99Å; W135-Y139 AromaticContact CD1-CD2 3.9Å; W135-Y139 HydrophobicContact CD2-CD2 4.23Å; W135-Y139 AromaticContact CD2-CE2 3.82Å; W135-Y139 HydrophobicContact CD2-CE2 3.82Å; W135-Y139 AromaticContact CE2-CD2 3.81Å; W135-Y139 AromaticContact CE2-CE2 3.33Å; W135-Y139 HydrophobicContact CE3-CE2 4.3Å; W135-Y139 HydrophobicContact CG-CD2 4.3Å; W135-Y139 HydrophobicContact CG-CE2 4.36Å; W135-Y139 AromaticContact CH2-CE2 3.96Å; W135-Y139 HydrophobicContact CH2-CE2 3.96Å; W135-Y139 HydrophobicContact CZ2-CD2 4.3Å; W135-Y139 AromaticContact CZ2-CE2 3.42Å; W135-Y139 HydrophobicContact CZ2-CE2 3.42Å; W135-Y139 VanDerWaalsContact CZ2-CE2 3.42Å; W135-Y139 HydrophobicContact CZ3-CE2 4.35Å; W135-Y139 AromaticContact NE1-CD2 3.57Å; W135-Y139 AromaticContact NE1-CE2 3.6Å; W135-Y139 VanDerWaalsContact O-CD2 3.3Å; W135-Y139 WeakPolarHBondContact O-CD2 3.5Å; W135-Y139 PolarHBondContact O-N 3.11Å; W135-A173 HydrophobicContact CH2-CB 4.37Å; W135-A173 HydrophobicContact CZ2-CB 3.64Å; W135-I176 HydrophobicContact CE3-CG2 4.45Å; W135-I176 HydrophobicContact CH2-CB 4.44Å; W135-I176 HydrophobicContact CH2-CD1 3.84Å; W135-I176 HydrophobicContact CZ3-CB 4.32Å; W135-I176 HydrophobicContact CZ3-CD1 3.63Å; W135-I176 HydrophobicContact CZ3-CG2 4.08Å; W135-W257 HydrophobicContact CE3-CH2 4.05Å; W135-W257 AromaticContact CE3-CZ3 3.85Å; W135-W257 HydrophobicContact CE3-CZ3 3.85Å; W135-W257 HydrophobicContact CZ3-CH2 4.05Å; W135-W257 AromaticContact CZ3-CZ3 3.88Å; W135-W257 HydrophobicContact CZ3-CZ3 3.88Å; W135-F260 HydrophobicContact CB-CE2 4.37Å; W135-F260 HydrophobicContact CB-CZ 4.38Å; W135-F260 HydrophobicContact CE3-CE1 4.22Å; W135-F260 HydrophobicContact CE3-CZ 4.09Å
136S98.6Very high98Very high22 Ų2233.3 Ų33.315%0.15418%0.178CC..Hα-helixtrans-64-43-179.3-54.20000110.8L132 H138 Y139 I140L132-S136 WeakPolarHBondContact O-CB 2.89Å; L132-S136 PolarHBondContact O-N 3.43Å; L132-S136 PolarHBondContact O-OG 3.14Å; S136-H138 PolarHBondContact O-N 3.2Å; S136-Y139 PolarHBondContact O-N 2.68Å; S136-I140 VanDerWaalsContact O-CB 3.28Å; S136-I140 WeakPolarHBondContact O-CB 3.35Å; S136-I140 WeakPolarHBondContact O-CD1 3.31Å; S136-I140 WeakPolarHBondContact O-CG1 3.33Å; S136-I140 PolarHBondContact O-N 3.35Å
137G98.6Very high98Very high35 Ų3528.7 Ų28.736%0.36117%0.165SC..Hα-helixtrans-57.2-45.2176.400000112.4A133 C134 W135 K141A133-G137 WeakPolarHBondContact O-CA 3.49Å; A133-G137 PolarHBondContact O-N 2.96Å; C134-G137 PolarHBondContact O-N 2.75Å; W135-G137 VanDerWaalsContact C-N 3.35Å; W135-G137 PolarHBondContact O-N 2.96Å; G137-K141 WeakPolarHBondContact O-CB 3.26Å; G137-K141 PolarHBondContact O-N 2.96Å
138H98.8Very high97.8Very high2 Ų235.1 Ų35.11%0.00919%0.193CC..Hα-helixtrans-59.1-51.4175.3174.991.9000112C134 W135 S136 K141 R142 F202 E206 W257C134-H138 PolarHBondContact O-N 3.39Å; W135-H138 PolarHBondContact O-N 2.99Å; S136-H138 PolarHBondContact O-N 3.2Å; H138-K141 WeakPolarHBondContact O-CB 3.26Å; H138-K141 PolarHBondContact O-N 2.81Å; H138-R142 WeakPolarHBondContact O-CB 3.33Å; H138-R142 VanDerWaalsContact O-CG 3.28Å; H138-R142 WeakPolarHBondContact O-CG 3.38Å; H138-R142 PolarHBondContact O-N 3.37Å; H138-F202 HydrophobicContact CB-CZ 4.1Å; H138-E206 WeakPolarHBondContact CA-OE2 3.49Å; H138-E206 IonicContact CE1-OE1 2.99Å; H138-E206 IonicContact CG-OE1 3.87Å; H138-E206 IonicContact CG-OE2 3.89Å; H138-E206 IonicContact ND1-OE1 3.4Å; H138-E206 PolarHBondContact ND1-OE1 3.4Å; H138-E206 IonicContact ND1-OE2 3.61Å; H138-E206 PolarHBondContact ND1-OE2 2.79Å; H138-W257 HydrophobicContact CB-CH2 4.38Å; H138-W257 AromaticContact CD2-CH2 3.79Å; H138-W257 AromaticContact CD2-CZ2 3.41Å; H138-W257 VanDerWaalsContact CD2-CZ2 3.41Å; H138-W257 WeakPolarHBondContact CD2-CZ2 3.07Å; H138-W257 AromaticContact CE1-CE2 3.93Å; H138-W257 AromaticContact CE1-CZ2 3.56Å; H138-W257 AromaticContact CG-CH2 3.92Å; H138-W257 AromaticContact CG-CZ2 3.72Å; H138-W257 AromaticContact ND1-CZ2 3.81Å; H138-W257 AromaticContact NE2-CZ2 3.34Å; H138-W257 VanDerWaalsContact NE2-CZ2 3.34Å; H138-W257 WeakPolarHBondContact NE2-CZ2 3.37Å
139Y98.6Very high97.7Very high1 Ų135.6 Ų35.60%0.00420%0.196CC..Hα-helixtrans-72.8-34.1-176.3-74.3-72.3000112.9Y95 P98 W135 S136 R142 L143 Y169 W257Y95-Y139 HydrophobicContact CD1-CD1 4.08Å; Y95-Y139 HydrophobicContact CD1-CE1 4.07Å; Y95-Y139 HydrophobicContact CG-CD1 4.37Å; P98-Y139 HydrophobicContact CB-CD1 3.85Å; P98-Y139 HydrophobicContact CB-CD2 3.86Å; P98-Y139 HydrophobicContact CB-CE1 3.49Å; P98-Y139 VanDerWaalsContact CB-CE1 3.49Å; P98-Y139 HydrophobicContact CB-CE2 3.54Å; P98-Y139 HydrophobicContact CB-CG 4.02Å; P98-Y139 HydrophobicContact CG-CD1 4.21Å; P98-Y139 HydrophobicContact CG-CE1 3.66Å; W135-Y139 AromaticContact CD1-CD2 3.9Å; W135-Y139 HydrophobicContact CD2-CD2 4.23Å; W135-Y139 AromaticContact CD2-CE2 3.82Å; W135-Y139 HydrophobicContact CD2-CE2 3.82Å; W135-Y139 AromaticContact CE2-CD2 3.81Å; W135-Y139 AromaticContact CE2-CE2 3.33Å; W135-Y139 HydrophobicContact CE3-CE2 4.3Å; W135-Y139 HydrophobicContact CG-CD2 4.3Å; W135-Y139 HydrophobicContact CG-CE2 4.36Å; W135-Y139 AromaticContact CH2-CE2 3.96Å; W135-Y139 HydrophobicContact CH2-CE2 3.96Å; W135-Y139 HydrophobicContact CZ2-CD2 4.3Å; W135-Y139 AromaticContact CZ2-CE2 3.42Å; W135-Y139 HydrophobicContact CZ2-CE2 3.42Å; W135-Y139 VanDerWaalsContact CZ2-CE2 3.42Å; W135-Y139 HydrophobicContact CZ3-CE2 4.35Å; W135-Y139 AromaticContact NE1-CD2 3.57Å; W135-Y139 AromaticContact NE1-CE2 3.6Å; W135-Y139 VanDerWaalsContact O-CD2 3.3Å; W135-Y139 WeakPolarHBondContact O-CD2 3.5Å; W135-Y139 PolarHBondContact O-N 3.11Å; S136-Y139 PolarHBondContact O-N 2.68Å; Y139-R142 PolarHBondContact O-N 2.62Å; Y139-L143 WeakPolarHBondContact O-CB 3.23Å; Y139-L143 VanDerWaalsContact O-CG 3.25Å; Y139-L143 WeakPolarHBondContact O-CG 3.3Å; Y139-L143 PolarHBondContact O-N 3.16Å; Y139-Y169 HydrophobicContact CE1-CD1 4.4Å; Y139-W257 HydrophobicContact CE2-CH2 4Å; Y139-W257 HydrophobicContact CE2-CZ2 4.47Å
140I98.6Very high97.4Very high78 Ų7831.9 Ų31.940%0.418%0.181SC..Hα-helixtrans-61.9-47.8170.5-70.2165.9000109.8L99 S136 R142 L143 L144L99-I140 HydrophobicContact CD1-CD1 4.36Å; L99-I140 HydrophobicContact CD1-CG1 4.08Å; L99-I140 HydrophobicContact CD2-CG1 3.91Å; S136-I140 VanDerWaalsContact O-CB 3.28Å; S136-I140 WeakPolarHBondContact O-CB 3.35Å; S136-I140 WeakPolarHBondContact O-CD1 3.31Å; S136-I140 WeakPolarHBondContact O-CG1 3.33Å; S136-I140 PolarHBondContact O-N 3.35Å; I140-R142 VanDerWaalsContact C-N 3.31Å; I140-R142 PolarHBondContact O-N 2.88Å; I140-L143 PolarHBondContact O-N 3.48Å; I140-L144 HydrophobicContact CG2-CD1 3.92Å; I140-L144 HydrophobicContact CG2-CG 4.36Å; I140-L144 WeakPolarHBondContact O-CG 3.34Å; I140-L144 PolarHBondContact O-N 3.38Å
141K98.5Very high96.7Very high34 Ų3435 Ų3515%0.14819%0.19CC..Hα-helixtrans-55.2-47.8174.4-175.6-158.880-1760110.6G137 H138 L143 L144 E145 E206 N209 F210G137-K141 WeakPolarHBondContact O-CB 3.26Å; G137-K141 PolarHBondContact O-N 2.96Å; H138-K141 WeakPolarHBondContact O-CB 3.26Å; H138-K141 PolarHBondContact O-N 2.81Å; K141-L143 PolarHBondContact O-N 3Å; K141-L144 PolarHBondContact O-N 3.37Å; K141-E145 WeakPolarHBondContact CD-OE1 3.15Å; K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.34Å; K141-E145 WeakPolarHBondContact CG-OE1 3.29Å; K141-E145 WeakPolarHBondContact O-CB 3.32Å; K141-E145 VanDerWaalsContact O-CG 3.27Å; K141-E145 WeakPolarHBondContact O-CG 3.29Å; K141-E145 PolarHBondContact O-N 3.13Å; K141-E206 WeakPolarHBondContact CD-OE2 3.49Å; K141-E206 VanDerWaalsContact CE-OE2 3.26Å; K141-E206 WeakPolarHBondContact CE-OE2 3.22Å; K141-E206 IonicContact NZ-OE1 2.7Å; K141-E206 PolarHBondContact NZ-OE1 2.8Å; K141-E206 VanDerWaalsContact NZ-OE1 3.09Å; K141-E206 IonicContact NZ-OE2 2.9Å; K141-E206 PolarHBondContact NZ-OE2 3.39Å; K141-N209 PolarHBondContact NZ-OD1 3.33Å; K141-F210 HydrophobicContact CD-CB 4.35Å
142R98.3Very high95.8Very high9 Ų938.5 Ų38.53%0.03421%0.205CC..Hα-helixtrans-61.7-40.4178.9-74.5-72.9167.3118.8-3113.4Y95 H138 Y139 I140 T146 N209 E253Y95-R142 HydrophobicContact CD2-CB 3.71Å; Y95-R142 HydrophobicContact CE2-CB 4.05Å; Y95-R142 HydrophobicContact CG-CB 4Å; H138-R142 WeakPolarHBondContact O-CB 3.33Å; H138-R142 VanDerWaalsContact O-CG 3.28Å; H138-R142 WeakPolarHBondContact O-CG 3.38Å; H138-R142 PolarHBondContact O-N 3.37Å; Y139-R142 PolarHBondContact O-N 2.62Å; I140-R142 VanDerWaalsContact C-N 3.31Å; I140-R142 PolarHBondContact O-N 2.88Å; R142-T146 WeakPolarHBondContact O-CB 3.43Å; R142-T146 PolarHBondContact O-N 3.03Å; R142-T146 PolarHBondContact O-OG1 3.43Å; R142-N209 VanDerWaalsContact NH2-CG 3.27Å; R142-N209 PolarHBondContact NH2-ND2 3.39Å; R142-N209 PolarHBondContact NH2-OD1 3.38Å; R142-E253 IonicContact CZ-OE1 2.65Å; R142-E253 IonicContact CZ-OE2 3.54Å; R142-E253 VanDerWaalsContact CZ-OE2 3.28Å; R142-E253 VanDerWaalsContact NH1-CD 3.29Å; R142-E253 IonicContact NH1-OE1 3.09Å; R142-E253 PolarHBondContact NH1-OE1 2.77Å; R142-E253 IonicContact NH1-OE2 2.96Å; R142-E253 PolarHBondContact NH1-OE2 2.67Å; R142-E253 IonicContact NH2-OE1 3.09Å; R142-E253 PolarHBondContact NH2-OE1 3.3Å; R142-E253 IonicContact NH2-OE2 3.64Å; R142-E253 PolarHBondContact NH2-OE2 2.75Å
143L98.3Very high94.3Very high27 Ų2739.8 Ų39.814%0.14122%0.217CC..Hα-helixtrans-64.3-47.9174.8-72.2168.1000111.2L92 L99 Y139 I140 K141 E145 T146 V147L92-L143 HydrophobicContact CD2-CD2 3.77Å; L99-L143 HydrophobicContact CD2-CD1 3.86Å; Y139-L143 WeakPolarHBondContact O-CB 3.23Å; Y139-L143 VanDerWaalsContact O-CG 3.25Å; Y139-L143 WeakPolarHBondContact O-CG 3.3Å; Y139-L143 PolarHBondContact O-N 3.16Å; I140-L143 PolarHBondContact O-N 3.48Å; K141-L143 PolarHBondContact O-N 3Å; L143-E145 PolarHBondContact O-N 3.17Å; L143-T146 WeakPolarHBondContact O-CB 3.32Å; L143-T146 PolarHBondContact O-N 3.34Å; L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 2.89Å; L143-V147 VanDerWaalsContact O-N 3.12Å
144L98.3Very high92.8Very high92 Ų9243.5 Ų43.548%0.48222%0.223SC..Hα-helixtrans-63.2-43177.8-67.7174.7000111.8I140 K141 T146 V147 F148I140-L144 HydrophobicContact CG2-CD1 3.92Å; I140-L144 HydrophobicContact CG2-CG 4.36Å; I140-L144 WeakPolarHBondContact O-CG 3.34Å; I140-L144 PolarHBondContact O-N 3.38Å; K141-L144 PolarHBondContact O-N 3.37Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.83Å; L144-V147 PolarHBondContact O-N 3.39Å; L144-F148 HydrophobicContact CB-CD2 4.34Å; L144-F148 HydrophobicContact CD2-CD2 4.14Å; L144-F148 HydrophobicContact CD2-CE2 3.76Å; L144-F148 WeakPolarHBondContact O-CB 3.43Å; L144-F148 VanDerWaalsContact O-CD2 3.24Å; L144-F148 WeakPolarHBondContact O-CD2 3.41Å; L144-F148 PolarHBondContact O-N 2.82Å
145E97.4Very high91.5Very high3 Ų346.8 Ų46.81%0.01425%0.251CS..Hα-helixtrans-61.8-40.5175.2-75176.2-168.600112.1K141 L143 V147 V149 H150 F210 H213K141-E145 WeakPolarHBondContact CD-OE1 3.15Å; K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.34Å; K141-E145 WeakPolarHBondContact CG-OE1 3.29Å; K141-E145 WeakPolarHBondContact O-CB 3.32Å; K141-E145 VanDerWaalsContact O-CG 3.27Å; K141-E145 WeakPolarHBondContact O-CG 3.29Å; K141-E145 PolarHBondContact O-N 3.13Å; L143-E145 PolarHBondContact O-N 3.17Å; E145-V147 PolarHBondContact O-N 2.88Å; E145-V149 HydrophobicContact CB-CB 4.1Å; E145-V149 HydrophobicContact CB-CG2 4.32Å; E145-V149 HydrophobicContact CG-CB 4.32Å; E145-V149 HydrophobicContact CG-CG2 4.15Å; E145-V149 CarbonylContact O-C 3.43Å; E145-V149 VanDerWaalsContact O-CA 3.29Å; E145-V149 WeakPolarHBondContact O-CA 3.34Å; E145-V149 WeakPolarHBondContact O-CB 3.25Å; E145-V149 PolarHBondContact O-N 2.93Å; E145-H150 PolarHBondContact O-N 3.48Å; E145-H150 IonicContact OE2-NE2 3.74Å; E145-F210 HydrophobicContact CG-CD2 4.04Å; E145-F210 HydrophobicContact CG-CE2 4.26Å; E145-F210 VanDerWaalsContact OE1-CD2 3.29Å; E145-F210 WeakPolarHBondContact OE1-CD2 3.47Å; E145-H213 IonicContact OE1-ND1 2.62Å; E145-H213 IonicContact OE2-CE1 2.79Å; E145-H213 PolarHBondContact OE2-CE1 3.14Å; E145-H213 IonicContact OE2-CG 3.82Å; E145-H213 IonicContact OE2-ND1 3.37Å; E145-H213 PolarHBondContact OE2-ND1 2.96Å
146T95.7Very high90.9Very high2 Ų248 Ų481%0.01226%0.258CS..Hα-helixtrans-60.2-36.2176.1-63.30000111.6R88 F91 L92 R142 L143 L144 F152R88-T146 HydrophobicContact CG-CG2 4.04Å; F91-T146 HydrophobicContact CB-CG2 3.62Å; F91-T146 HydrophobicContact CD2-CG2 4.42Å; L92-T146 HydrophobicContact CD2-CG2 4.18Å; L92-T146 HydrophobicContact CG-CG2 4.08Å; R142-T146 WeakPolarHBondContact O-CB 3.43Å; R142-T146 PolarHBondContact O-N 3.03Å; R142-T146 PolarHBondContact O-OG1 3.43Å; L143-T146 WeakPolarHBondContact O-CB 3.32Å; L143-T146 PolarHBondContact O-N 3.34Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.83Å; T146-F152 HydrophobicContact CG2-CZ 4.49Å
147V95Very high90.5Very high46 Ų4647.3 Ų47.328%0.27925%0.253SS..Hα-helixtrans-81.4-44.2-179.2173.30000112.3L92 L143 L144 E145L92-V147 HydrophobicContact CD2-CG2 3.93Å; L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 2.89Å; L143-V147 VanDerWaalsContact O-N 3.12Å; L144-V147 PolarHBondContact O-N 3.39Å; E145-V147 PolarHBondContact O-N 2.88Å
148F94.9Very high90.2Very high139 Ų13948.1 Ų48.161%0.6125%0.251SS*.Hα-helixtrans-113.4-17.5-165.4-59-68.1000114.6L144 K217L144-F148 HydrophobicContact CB-CD2 4.34Å; L144-F148 HydrophobicContact CD2-CD2 4.14Å; L144-F148 HydrophobicContact CD2-CE2 3.76Å; L144-F148 WeakPolarHBondContact O-CB 3.43Å; L144-F148 VanDerWaalsContact O-CD2 3.24Å; L144-F148 WeakPolarHBondContact O-CD2 3.41Å; L144-F148 PolarHBondContact O-N 2.82Å; F148-K217 PolarHBondContact O-NZ 3.05Å
149V93.6Very high90Very high12 Ų1251 Ų517%0.07327%0.267CS..THydrogen-bonded Turntrans-113.3-51.7-172.3-179.10000112.5E145 F210 H213 L214 K217E145-V149 HydrophobicContact CB-CB 4.1Å; E145-V149 HydrophobicContact CB-CG2 4.32Å; E145-V149 HydrophobicContact CG-CB 4.32Å; E145-V149 HydrophobicContact CG-CG2 4.15Å; E145-V149 CarbonylContact O-C 3.43Å; E145-V149 VanDerWaalsContact O-CA 3.29Å; E145-V149 WeakPolarHBondContact O-CA 3.34Å; E145-V149 WeakPolarHBondContact O-CB 3.25Å; E145-V149 PolarHBondContact O-N 2.93Å; V149-F210 HydrophobicContact CG2-CE2 4.39Å; V149-H213 HydrophobicContact CG1-CB 4.14Å; V149-L214 HydrophobicContact CG1-CD2 4.03Å; V149-L214 HydrophobicContact CG2-CD2 4.04Å; V149-K217 HydrophobicContact CG1-CB 4.24Å; V149-K217 HydrophobicContact CG1-CD 4.25Å; V149-K217 WeakPolarHBondContact O-CB 3.12Å; V149-K217 WeakPolarHBondContact O-CD 3.36Å; V149-K217 VanDerWaalsContact O-CG 3.25Å; V149-K217 WeakPolarHBondContact O-CG 3.4Å
150H91Very high89.8Confident44 Ų4459.8 Ų59.820%0.20430%0.3CS..  trans-68.7134.9-172.2-66.7170000112.3F91 E145 F152 H213F91-H150 AromaticContact CD2-ND1 3.94Å; F91-H150 AromaticContact CE2-ND1 3.98Å; E145-H150 PolarHBondContact O-N 3.48Å; E145-H150 IonicContact OE2-NE2 3.74Å; H150-F152 HydrophobicContact CB-CE1 4.31Å; H150-F152 HydrophobicContact CB-CE2 3.88Å; H150-F152 HydrophobicContact CB-CZ 3.72Å; H150-F152 AromaticContact ND1-CZ 3.94Å; H150-H213 AromaticContact NE2-CE1 3.86Å; H150-H213 AromaticContact NE2-CG 3.81Å; H150-H213 AromaticContact NE2-ND1 3.63Å
151R84.4Confident89.6Confident89 Ų8958.5 Ų58.534%0.33629%0.294SS..  trans-117.7109.7168.4-68.6178.6174.4166.4-1.9107.6R220R151-R220 HydrophobicContact CB-CB 4.41Å; R151-R220 WeakPolarHBondContact CD-O 3.41Å; R151-R220 PolarHBondContact NH1-O 3.28Å; R151-R220 PolarHBondContact O-NH1 3.32Å
152F79.2Confident89.4Confident73 Ų7357.7 Ų57.732%0.3229%0.291SS..  trans-82.8135.3-175-60.9-80.9000111.3W87 R88 F91 T146 H150W87-F152 HydrophobicContact CB-CB 4.31Å; W87-F152 HydrophobicContact CB-CD1 3.51Å; W87-F152 HydrophobicContact CB-CD2 4.27Å; W87-F152 HydrophobicContact CB-CE1 3.82Å; W87-F152 HydrophobicContact CB-CG 3.76Å; W87-F152 HydrophobicContact CB-CZ 4.34Å; W87-F152 HydrophobicContact CG-CD1 4.08Å; R88-F152 HydrophobicContact CB-CE2 4.07Å; F91-F152 AromaticContact CD2-CE1 3.67Å; F91-F152 HydrophobicContact CD2-CE1 3.67Å; F91-F152 AromaticContact CD2-CZ 3.57Å; F91-F152 HydrophobicContact CD2-CZ 3.57Å; F91-F152 AromaticContact CE2-CE1 3.42Å; F91-F152 HydrophobicContact CE2-CE1 3.42Å; F91-F152 VanDerWaalsContact CE2-CE1 3.42Å; F91-F152 AromaticContact CE2-CZ 3.83Å; F91-F152 HydrophobicContact CE2-CZ 3.83Å; F91-F152 HydrophobicContact CG-CZ 4.44Å; F91-F152 HydrophobicContact CZ-CE1 4.16Å; T146-F152 HydrophobicContact CG2-CZ 4.49Å; H150-F152 HydrophobicContact CB-CE1 4.31Å; H150-F152 HydrophobicContact CB-CE2 3.88Å; H150-F152 HydrophobicContact CB-CZ 3.72Å; H150-F152 AromaticContact ND1-CZ 3.94Å
153S66.6Low89.3Confident58 Ų5863.6 Ų63.641%0.40632%0.317SS..SBendtrans-89.3-37.6177.655.50000112.5
154H67.1Low89.2Confident139 Ų13967.2 Ų67.264%0.64434%0.336SS*.SBendtrans-89.6135.8168.1-67.5-62.2000108.4
155A70.5Confident89Confident77 Ų7764.6 Ų64.664%0.63632%0.322SS*.  trans-70.1-36.8-179.600000111.6G86 W87G86-A155 WeakPolarHBondContact CA-O 3.28Å; W87-A155 PolarHBondContact N-O 3.26Å
156T87.5Confident89Confident25 Ų2565.1 Ų65.115%0.15333%0.326CS..EExtended strand (participates in β ladder)trans-143.3165.6-167.6620000116.6I43 Q84 I85 W87I43-T156 HydrophobicContact CD1-CG2 3.24Å; I43-T156 HydrophobicContact CG1-CG2 3.38Å; Q84-T156 HydrophobicContact CB-CG2 3.92Å; Q84-T156 PolarHBondContact OE1-OG1 3.09Å; I85-T156 CarbonylContact O-C 3.55Å; I85-T156 WeakPolarHBondContact O-CA 3.27Å; I85-T156 VanDerWaalsContact O-CB 3.23Å; I85-T156 WeakPolarHBondContact O-CB 3.25Å; W87-T156 VanDerWaalsContact NE1-C 3.27Å; W87-T156 PolarHBondContact NE1-O 2.96Å
157M90.3Very high89.1Confident8 Ų869.2 Ų69.24%0.03936%0.355CS..EExtended strand (participates in β ladder)trans-121.3148.9167.9-173.7179.670.200109.5Q84 I85 W87 V90 L159 N161 L162Q84-M157 VanDerWaalsContact OE1-C 3.27Å; Q84-M157 PolarHBondContact OE1-O 3.35Å; I85-M157 WeakPolarHBondContact CG2-O 3.3Å; I85-M157 PolarHBondContact N-O 3.28Å; I85-M157 PolarHBondContact O-N 3.01Å; W87-M157 HydrophobicContact CD2-CB 4.44Å; W87-M157 HydrophobicContact CH2-CB 4.13Å; W87-M157 HydrophobicContact CH2-CG 4.11Å; W87-M157 HydrophobicContact CH2-SD 3.78Å; W87-M157 HydrophobicContact CZ2-CB 3.87Å; W87-M157 HydrophobicContact CZ2-CG 4.18Å; W87-M157 HydrophobicContact CZ2-SD 4.44Å; W87-M157 HydrophobicContact CZ3-SD 3.99Å; V90-M157 HydrophobicContact CB-CE 4.32Å; V90-M157 HydrophobicContact CG1-CE 3.51Å; V90-M157 HydrophobicContact CG1-SD 4.35Å; V90-M157 HydrophobicContact CG2-CB 4.37Å; V90-M157 HydrophobicContact CG2-CE 3.76Å; M157-L159 PolarHBondContact O-N 3.23Å; M157-N161 HydrophobicContact CE-CB 3.72Å; M157-N161 HydrophobicContact CG-CB 3.89Å; M157-N161 HydrophobicContact SD-CB 3.6Å; M157-N161 VanDerWaalsContact SD-CB 3.6Å; M157-L162 HydrophobicContact CE-CB 4.18Å; M157-L162 VanDerWaalsContact CE-N 3.33Å
158P92.6Very high89.1Confident52 Ų5270 Ų7034%0.33835%0.353SS..EExtended strand (participates in β ladder)trans-56.4131.3169.2-25.134.7000111.7R160 N161P158-R160 PolarHBondContact O-N 3.03Å; P158-R160 VanDerWaalsContact O-N 3.14Å; P158-N161 WeakPolarHBondContact O-CB 3.37Å; P158-N161 PolarHBondContact O-N 3.44Å
159L93.5Very high89.3Confident63 Ų6364.6 Ų64.633%0.3333%0.329SS..Hα-helixtrans-57.1-34.8-174.6-179.361.9000113.1P83 I85 M157 N161 L162 F163P83-L159 HydrophobicContact CB-CB 4.08Å; P83-L159 HydrophobicContact CB-CD2 4.2Å; P83-L159 PolarHBondContact O-N 3.39Å; I85-L159 HydrophobicContact CB-CD1 4.2Å; I85-L159 HydrophobicContact CD1-CD1 4.29Å; I85-L159 HydrophobicContact CG2-CD1 4.15Å; M157-L159 PolarHBondContact O-N 3.23Å; L159-N161 PolarHBondContact O-N 2.84Å; L159-L162 HydrophobicContact CD1-CB 4.39Å; L159-L162 HydrophobicContact CD1-CD2 3.91Å; L159-L162 WeakPolarHBondContact O-CB 3.48Å; L159-L162 PolarHBondContact O-N 3.16Å; L159-F163 HydrophobicContact CG-CE2 4.46Å
160R94.3Very high89.5Confident186 Ų18666.9 Ų66.970%0.70234%0.338SS*.Hα-helixtrans-55.7-36.2176.2-178.1-179.462-149.5-2.2112.8P158 L162 F163P158-R160 PolarHBondContact O-N 3.03Å; P158-R160 VanDerWaalsContact O-N 3.14Å; R160-L162 PolarHBondContact O-N 3.44Å; R160-F163 PolarHBondContact O-N 3.32Å
161N93.9Very high89.9Confident50 Ų5066.6 Ų66.627%0.26735%0.347SS..Hα-helixtrans-70-21.6-178.8-66.36.5000111.9M157 P158 L159 F163 I164 N165M157-N161 HydrophobicContact CE-CB 3.72Å; M157-N161 HydrophobicContact CG-CB 3.89Å; M157-N161 HydrophobicContact SD-CB 3.6Å; M157-N161 VanDerWaalsContact SD-CB 3.6Å; P158-N161 WeakPolarHBondContact O-CB 3.37Å; P158-N161 PolarHBondContact O-N 3.44Å; L159-N161 PolarHBondContact O-N 2.84Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 2.96Å; N161-I164 PolarHBondContact O-N 2.95Å; N161-N165 PolarHBondContact O-N 2.69Å; N161-N165 PolarHBondContact O-OD1 2.91Å
162L95.6Very high90.5Very high18 Ų1863.8 Ų63.89%0.09434%0.337CS..Hα-helixtrans-58.8-46.3175.3179.266.6000110.5I85 V90 V93 M157 L159 R160 I164 N165 C166I85-L162 HydrophobicContact CD1-CD2 3.81Å; V90-L162 HydrophobicContact CB-CD1 4.34Å; V90-L162 HydrophobicContact CG1-CD1 4.06Å; V90-L162 HydrophobicContact CG2-CD1 4.32Å; V93-L162 HydrophobicContact CB-CD1 4.41Å; V93-L162 HydrophobicContact CG1-CD1 4.38Å; M157-L162 HydrophobicContact CE-CB 4.18Å; M157-L162 VanDerWaalsContact CE-N 3.33Å; L159-L162 HydrophobicContact CD1-CB 4.39Å; L159-L162 HydrophobicContact CD1-CD2 3.91Å; L159-L162 WeakPolarHBondContact O-CB 3.48Å; L159-L162 PolarHBondContact O-N 3.16Å; R160-L162 PolarHBondContact O-N 3.44Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.19Å; L162-N165 PolarHBondContact O-N 2.88Å; L162-C166 WeakPolarHBondContact O-CB 3.35Å; L162-C166 PolarHBondContact O-N 3.17Å; L162-C166 PolarHBondContact O-SG 3.07Å
163F96Very high91.4Very high133 Ų13360.3 Ų60.358%0.58332%0.322SS*.Hα-helixtrans-65-38.5180-62.2-73.4000111.9L159 R160 N161 C166 S167L159-F163 HydrophobicContact CG-CE2 4.46Å; R160-F163 PolarHBondContact O-N 3.32Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 2.96Å; F163-C166 PolarHBondContact O-N 3.33Å; F163-S167 VanDerWaalsContact O-CB 3.3Å; F163-S167 WeakPolarHBondContact O-CB 3.41Å; F163-S167 PolarHBondContact O-N 3.03Å; F163-S167 PolarHBondContact O-OG 3.34Å
164I95.1Very high93Very high103 Ų10362 Ų6253%0.52833%0.326SS..Hα-helixtrans-63.4-48.2176.9-60.4173000110.3N161 L162 S167 Y168N161-I164 PolarHBondContact O-N 2.95Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.19Å; I164-S167 PolarHBondContact O-N 3.28Å; I164-Y168 PolarHBondContact O-N 3.46Å; I164-Y168 VanDerWaalsContact O-N 3.08Å
165N95Very high94.4Very high36 Ų3659 Ų5919%0.19331%0.311CS..Hα-helixtrans-61.9-49.2177.5-73.314.2000111.1E94 N161 L162 S167 Y168 Y169E94-N165 WeakPolarHBondContact OE2-CB 3.25Å; E94-N165 PolarHBondContact OE2-ND2 3.32Å; N161-N165 PolarHBondContact O-N 2.69Å; N161-N165 PolarHBondContact O-OD1 2.91Å; L162-N165 PolarHBondContact O-N 2.88Å; N165-S167 PolarHBondContact O-N 3.1Å; N165-Y168 WeakPolarHBondContact O-CB 3.49Å; N165-Y168 PolarHBondContact O-N 3.49Å; N165-Y168 VanDerWaalsContact O-N 3.13Å; N165-Y169 VanDerWaalsContact O-CD2 3.25Å; N165-Y169 WeakPolarHBondContact O-CD2 3.28Å; N165-Y169 PolarHBondContact O-N 3.46Å
166C97.4Very high95.8Very high15 Ų1555.3 Ų55.310%0.10128%0.281CS..Hα-helixtrans-60.5-45.1179.8-66.20000111L162 F163 Y168 Y169 F170L162-C166 WeakPolarHBondContact O-CB 3.35Å; L162-C166 PolarHBondContact O-N 3.17Å; L162-C166 PolarHBondContact O-SG 3.07Å; F163-C166 PolarHBondContact O-N 3.33Å; C166-Y168 VanDerWaalsContact C-N 3.28Å; C166-Y168 PolarHBondContact O-N 2.95Å; C166-Y169 PolarHBondContact O-N 3.42Å; C166-F170 HydrophobicContact CB-CD1 4.22Å; C166-F170 HydrophobicContact CB-CD2 4.49Å; C166-F170 HydrophobicContact CB-CE1 3.98Å; C166-F170 HydrophobicContact CB-CE2 4.3Å; C166-F170 HydrophobicContact CB-CG 4.47Å; C166-F170 HydrophobicContact CB-CZ 4.03Å; C166-F170 WeakPolarHBondContact O-CA 3.38Å; C166-F170 WeakPolarHBondContact O-CB 3.12Å; C166-F170 WeakPolarHBondContact O-CD1 3.41Å; C166-F170 WeakPolarHBondContact O-CG 2.95Å; C166-F170 PolarHBondContact O-N 2.83Å
167S97.1Very high96.3Very high88 Ų8854.1 Ų54.162%0.61527%0.274SS*.Hα-helixtrans-57.2-40.6175.6-67.60000112.5F163 I164 N165 G171F163-S167 VanDerWaalsContact O-CB 3.3Å; F163-S167 WeakPolarHBondContact O-CB 3.41Å; F163-S167 PolarHBondContact O-N 3.03Å; F163-S167 PolarHBondContact O-OG 3.34Å; I164-S167 PolarHBondContact O-N 3.28Å; N165-S167 PolarHBondContact O-N 3.1Å; S167-G171 WeakPolarHBondContact O-CA 3.26Å; S167-G171 PolarHBondContact O-N 3.31Å
168Y96.5Very high96.6Very high61 Ų6157.8 Ų57.824%0.23929%0.287CS..Hα-helixtrans-62-59.8174.4173.5-95.8000111.2I164 N165 C166 F170 F172 F272 C275 G276I164-Y168 PolarHBondContact O-N 3.46Å; I164-Y168 VanDerWaalsContact O-N 3.08Å; N165-Y168 WeakPolarHBondContact O-CB 3.49Å; N165-Y168 PolarHBondContact O-N 3.49Å; N165-Y168 VanDerWaalsContact O-N 3.13Å; C166-Y168 VanDerWaalsContact C-N 3.28Å; C166-Y168 PolarHBondContact O-N 2.95Å; Y168-F170 PolarHBondContact O-N 3.36Å; Y168-F172 AromaticContact CD2-CD2 3.7Å; Y168-F172 HydrophobicContact CD2-CD2 3.7Å; Y168-F172 AromaticContact CD2-CE2 3.56Å; Y168-F172 HydrophobicContact CD2-CE2 3.56Å; Y168-F172 HydrophobicContact CE1-CD2 4.47Å; Y168-F172 AromaticContact CE2-CD2 3.56Å; Y168-F172 HydrophobicContact CE2-CD2 3.56Å; Y168-F172 AromaticContact CE2-CE2 3.27Å; Y168-F172 HydrophobicContact CE2-CE2 3.27Å; Y168-F172 HydrophobicContact CE2-CZ 4.37Å; Y168-F172 HydrophobicContact CG-CD2 4.22Å; Y168-F172 HydrophobicContact CG-CE2 4.5Å; Y168-F172 AromaticContact CZ-CD2 3.96Å; Y168-F172 WeakPolarHBondContact O-CB 3.36Å; Y168-F172 VanDerWaalsContact O-CD2 3.28Å; Y168-F172 WeakPolarHBondContact O-CD2 3.42Å; Y168-F172 PolarHBondContact O-N 3.46Å; Y168-F272 HydrophobicContact CE1-CD2 4.38Å; Y168-F272 AromaticContact CE1-CE2 3.81Å; Y168-F272 HydrophobicContact CE1-CE2 3.81Å; Y168-F272 AromaticContact CZ-CE2 3.88Å; Y168-C275 HydrophobicContact CE2-CB 4.07Å; Y168-G276 WeakPolarHBondContact OH-CA 3.43Å; Y168-G276 PolarHBondContact OH-N 2.86Å
169Y97.7Very high96.8Very high27 Ų2759.7 Ų59.711%0.10629%0.291CS..Hα-helixtrans-66.1-42.6-174-78.4-76.8000112.6E94 Y95 P98 Y139 N165 C166 A173E94-Y169 VanDerWaalsContact CD-CD2 3.49Å; E94-Y169 HydrophobicContact CG-CD2 3.22Å; E94-Y169 HydrophobicContact CG-CE2 3.52Å; E94-Y169 HydrophobicContact CG-CG 3.83Å; E94-Y169 WeakPolarHBondContact OE1-CE2 3.41Å; E94-Y169 VanDerWaalsContact OE1-CZ 3.27Å; E94-Y169 PolarHBondContact OE1-OH 3.17Å; Y95-Y169 HydrophobicContact CE1-CE1 4.33Å; P98-Y169 HydrophobicContact CG-CD1 4.48Å; P98-Y169 HydrophobicContact CG-CG 4.49Å; Y139-Y169 HydrophobicContact CE1-CD1 4.4Å; N165-Y169 VanDerWaalsContact O-CD2 3.25Å; N165-Y169 WeakPolarHBondContact O-CD2 3.28Å; N165-Y169 PolarHBondContact O-N 3.46Å; C166-Y169 PolarHBondContact O-N 3.42Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.08Å; Y169-A173 PolarHBondContact O-N 3.14Å
170F98.5Very high97Very high60 Ų6056.7 Ų56.726%0.26328%0.275SS..Hα-helixtrans-74.1-40.5-176.5-66.424.7000110V93 E94 G97 P98 I101 C166 Y168 A173 L174V93-F170 HydrophobicContact CG1-CZ 4.44Å; V93-F170 WeakPolarHBondContact O-CE1 3.39Å; V93-F170 WeakPolarHBondContact O-CZ 3.35Å; E94-F170 WeakPolarHBondContact O-CE1 3.36Å; G97-F170 VanDerWaalsContact CA-CE1 3.43Å; P98-F170 HydrophobicContact CG-CD1 4.34Å; I101-F170 HydrophobicContact CD1-CB 3.47Å; I101-F170 VanDerWaalsContact CD1-CB 3.47Å; I101-F170 HydrophobicContact CD1-CD2 3.78Å; I101-F170 HydrophobicContact CD1-CG 3.69Å; C166-F170 HydrophobicContact CB-CD1 4.22Å; C166-F170 HydrophobicContact CB-CD2 4.49Å; C166-F170 HydrophobicContact CB-CE1 3.98Å; C166-F170 HydrophobicContact CB-CE2 4.3Å; C166-F170 HydrophobicContact CB-CG 4.47Å; C166-F170 HydrophobicContact CB-CZ 4.03Å; C166-F170 WeakPolarHBondContact O-CA 3.38Å; C166-F170 WeakPolarHBondContact O-CB 3.12Å; C166-F170 WeakPolarHBondContact O-CD1 3.41Å; C166-F170 WeakPolarHBondContact O-CG 2.95Å; C166-F170 PolarHBondContact O-N 2.83Å; Y168-F170 PolarHBondContact O-N 3.36Å; F170-A173 WeakPolarHBondContact O-CB 3.43Å; F170-A173 PolarHBondContact O-N 3.31Å; F170-L174 PolarHBondContact O-N 2.95Å
171G98.3Very high97.2Very high38 Ų3847.9 Ų47.939%0.39224%0.242SC..Hα-helixtrans-60.5-47.7174.800000111.7S167 A173 L174 F175S167-G171 WeakPolarHBondContact O-CA 3.26Å; S167-G171 PolarHBondContact O-N 3.31Å; G171-A173 PolarHBondContact O-N 3.13Å; G171-L174 PolarHBondContact O-N 3.08Å; G171-F175 VanDerWaalsContact O-CB 3.3Å; G171-F175 WeakPolarHBondContact O-CB 3.47Å; G171-F175 PolarHBondContact O-N 3.05Å
172F98.4Very high97.3Very high29 Ų2946.9 Ų46.913%0.12724%0.235CC..Hα-helixtrans-67.1-34.2175.7-85-68.2000113.1Y168 F175 I176 I271 F272 C275Y168-F172 AromaticContact CD2-CD2 3.7Å; Y168-F172 HydrophobicContact CD2-CD2 3.7Å; Y168-F172 AromaticContact CD2-CE2 3.56Å; Y168-F172 HydrophobicContact CD2-CE2 3.56Å; Y168-F172 HydrophobicContact CE1-CD2 4.47Å; Y168-F172 AromaticContact CE2-CD2 3.56Å; Y168-F172 HydrophobicContact CE2-CD2 3.56Å; Y168-F172 AromaticContact CE2-CE2 3.27Å; Y168-F172 HydrophobicContact CE2-CE2 3.27Å; Y168-F172 HydrophobicContact CE2-CZ 4.37Å; Y168-F172 HydrophobicContact CG-CD2 4.22Å; Y168-F172 HydrophobicContact CG-CE2 4.5Å; Y168-F172 AromaticContact CZ-CD2 3.96Å; Y168-F172 WeakPolarHBondContact O-CB 3.36Å; Y168-F172 VanDerWaalsContact O-CD2 3.28Å; Y168-F172 WeakPolarHBondContact O-CD2 3.42Å; Y168-F172 PolarHBondContact O-N 3.46Å; F172-F175 HydrophobicContact CD1-CD1 4.22Å; F172-F175 HydrophobicContact CE1-CD1 4.27Å; F172-F175 PolarHBondContact O-N 3.02Å; F172-I176 HydrophobicContact CB-CD1 4.48Å; F172-I176 VanDerWaalsContact O-CB 3.28Å; F172-I176 WeakPolarHBondContact O-CB 3.42Å; F172-I176 VanDerWaalsContact O-CG1 3.26Å; F172-I176 WeakPolarHBondContact O-CG1 3.32Å; F172-I176 PolarHBondContact O-N 2.97Å; F172-I271 HydrophobicContact CE1-CB 4.3Å; F172-I271 HydrophobicContact CE1-CG2 3.78Å; F172-I271 HydrophobicContact CZ-CG2 3.87Å; F172-F272 HydrophobicContact CB-CD2 3.63Å; F172-F272 HydrophobicContact CB-CE2 4.12Å; F172-F272 HydrophobicContact CB-CG 4.37Å; F172-F272 HydrophobicContact CD1-CB 3.62Å; F172-F272 AromaticContact CD1-CD2 3.9Å; F172-F272 HydrophobicContact CD1-CD2 3.9Å; F172-F272 HydrophobicContact CD1-CG 4.18Å; F172-F272 AromaticContact CD2-CD2 3.74Å; F172-F272 HydrophobicContact CD2-CD2 3.74Å; F172-F272 HydrophobicContact CD2-CE2 4.42Å; F172-F272 HydrophobicContact CE1-CB 3.86Å; F172-F272 HydrophobicContact CE2-CD2 4.39Å; F172-F272 HydrophobicContact CG-CB 4.13Å; F172-F272 AromaticContact CG-CD2 3.47Å; F172-F272 HydrophobicContact CG-CD2 3.47Å; F172-F272 VanDerWaalsContact CG-CD2 3.47Å; F172-F272 HydrophobicContact CG-CE2 4.31Å; F172-F272 HydrophobicContact CG-CG 4.19Å; F172-C275 HydrophobicContact CZ-CB 4.38Å
173A98.6Very high97.3Very high0 Ų048.7 Ų48.70%024%0.243CC..Hα-helixtrans-61.9-44.817400000112.5P98 I101 W135 Y169 F170 G171 G177P98-A173 VanDerWaalsContact CA-CB 3.46Å; P98-A173 HydrophobicContact CB-CB 3.85Å; P98-A173 HydrophobicContact CG-CB 4.4Å; I101-A173 HydrophobicContact CB-CB 4.16Å; I101-A173 HydrophobicContact CG2-CB 4.04Å; W135-A173 HydrophobicContact CH2-CB 4.37Å; W135-A173 HydrophobicContact CZ2-CB 3.64Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.08Å; Y169-A173 PolarHBondContact O-N 3.14Å; F170-A173 WeakPolarHBondContact O-CB 3.43Å; F170-A173 PolarHBondContact O-N 3.31Å; G171-A173 PolarHBondContact O-N 3.13Å; A173-G177 WeakPolarHBondContact O-CA 3.2Å; A173-G177 PolarHBondContact O-N 3.26Å
174L98.4Very high97.2Very high94 Ų9448.2 Ų48.249%0.49225%0.246SC..Hα-helixtrans-64.3-46.5174.5179.759.3000110.8I101 V105 F170 G171 G177 Y178I101-L174 HydrophobicContact CG2-CB 3.87Å; I101-L174 HydrophobicContact CG2-CD1 4.41Å; V105-L174 HydrophobicContact CG2-CD1 3.75Å; F170-L174 PolarHBondContact O-N 2.95Å; G171-L174 PolarHBondContact O-N 3.08Å; L174-G177 PolarHBondContact O-N 3.23Å; L174-Y178 WeakPolarHBondContact O-CB 3.11Å; L174-Y178 PolarHBondContact O-N 3.29Å
175F98.3Very high97.3Very high76 Ų7644.1 Ų44.133%0.33322%0.224SC..Hα-helixtrans-63.5-48.5-176.8-170.8-156.3000111.9G171 F172 F179 P268 I271G171-F175 VanDerWaalsContact O-CB 3.3Å; G171-F175 WeakPolarHBondContact O-CB 3.47Å; G171-F175 PolarHBondContact O-N 3.05Å; F172-F175 HydrophobicContact CD1-CD1 4.22Å; F172-F175 HydrophobicContact CE1-CD1 4.27Å; F172-F175 PolarHBondContact O-N 3.02Å; F175-F179 AromaticContact CD2-CD2 3.6Å; F175-F179 HydrophobicContact CD2-CD2 3.6Å; F175-F179 AromaticContact CD2-CE2 3.63Å; F175-F179 HydrophobicContact CD2-CE2 3.63Å; F175-F179 AromaticContact CE2-CD2 3.65Å; F175-F179 HydrophobicContact CE2-CD2 3.65Å; F175-F179 AromaticContact CE2-CE2 3.36Å; F175-F179 HydrophobicContact CE2-CE2 3.36Å; F175-F179 HydrophobicContact CE2-CZ 4.24Å; F175-F179 WeakPolarHBondContact O-CD2 3.34Å; F175-F179 PolarHBondContact O-N 3.31Å; F175-P268 HydrophobicContact CB-CB 4.48Å; F175-P268 HydrophobicContact CD1-CB 3.62Å; F175-P268 HydrophobicContact CD1-CG 4.03Å; F175-P268 HydrophobicContact CD2-CB 4.04Å; F175-P268 HydrophobicContact CD2-CG 3.68Å; F175-P268 HydrophobicContact CE1-CB 3.78Å; F175-P268 HydrophobicContact CE1-CG 3.86Å; F175-P268 HydrophobicContact CE2-CB 4.19Å; F175-P268 HydrophobicContact CE2-CG 3.51Å; F175-P268 HydrophobicContact CG-CB 3.75Å; F175-P268 HydrophobicContact CG-CG 3.95Å; F175-P268 HydrophobicContact CZ-CB 4.07Å; F175-P268 HydrophobicContact CZ-CG 3.6Å; F175-I271 HydrophobicContact CE1-CD1 4.25Å
176I98.5Very high97.3Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-67.8-48.9177.1-65.4168.4000110.2Y102 W135 F172 Y178 F179 T180 F260 P268 T269 F272Y102-I176 HydrophobicContact CE2-CG2 4.07Å; W135-I176 HydrophobicContact CE3-CG2 4.45Å; W135-I176 HydrophobicContact CH2-CB 4.44Å; W135-I176 HydrophobicContact CH2-CD1 3.84Å; W135-I176 HydrophobicContact CZ3-CB 4.32Å; W135-I176 HydrophobicContact CZ3-CD1 3.63Å; W135-I176 HydrophobicContact CZ3-CG2 4.08Å; F172-I176 HydrophobicContact CB-CD1 4.48Å; F172-I176 VanDerWaalsContact O-CB 3.28Å; F172-I176 WeakPolarHBondContact O-CB 3.42Å; F172-I176 VanDerWaalsContact O-CG1 3.26Å; F172-I176 WeakPolarHBondContact O-CG1 3.32Å; F172-I176 PolarHBondContact O-N 2.97Å; I176-Y178 PolarHBondContact O-N 3.42Å; I176-F179 PolarHBondContact O-N 2.84Å; I176-T180 VanDerWaalsContact O-CB 3.31Å; I176-T180 WeakPolarHBondContact O-CB 3.45Å; I176-T180 PolarHBondContact O-N 3.25Å; I176-T180 PolarHBondContact O-OG1 2.97Å; I176-T180 VanDerWaalsContact O-OG1 3.06Å; I176-F260 HydrophobicContact CG2-CE1 4.11Å; I176-P268 HydrophobicContact CB-CB 4.5Å; I176-P268 HydrophobicContact CG1-CB 3.75Å; I176-T269 HydrophobicContact CB-CG2 4.33Å; I176-T269 HydrophobicContact CD1-CG2 4.05Å; I176-T269 HydrophobicContact CG1-CG2 3.92Å; I176-T269 HydrophobicContact CG2-CG2 3.47Å; I176-T269 VanDerWaalsContact CG2-CG2 3.47Å; I176-F272 HydrophobicContact CD1-CB 3.78Å; I176-F272 HydrophobicContact CD1-CD1 4.03Å; I176-F272 HydrophobicContact CD1-CG 3.91Å
177G98.1Very high97Very high0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-56.3-39.6178.900000112.5V105 A173 L174 N181V105-G177 VanDerWaalsContact CG1-C 3.46Å; V105-G177 WeakPolarHBondContact CG1-O 3.27Å; A173-G177 WeakPolarHBondContact O-CA 3.2Å; A173-G177 PolarHBondContact O-N 3.26Å; L174-G177 PolarHBondContact O-N 3.23Å; G177-N181 VanDerWaalsContact O-CB 3.29Å; G177-N181 WeakPolarHBondContact O-CB 3.38Å; G177-N181 PolarHBondContact O-N 3.44Å; G177-N181 PolarHBondContact O-ND2 3.37Å
178Y97.3Very high96.9Very high84 Ų8445.2 Ų45.233%0.32923%0.229SC..Hα-helixtrans-65.3-50.9178.3-179.3-85.7000112.1R109 L118 L174 I176 H182R109-Y178 VanDerWaalsContact NH2-CD2 3.33Å; L118-Y178 HydrophobicContact CD2-CE2 4.17Å; L174-Y178 WeakPolarHBondContact O-CB 3.11Å; L174-Y178 PolarHBondContact O-N 3.29Å; I176-Y178 PolarHBondContact O-N 3.42Å; Y178-H182 AromaticContact CE1-CD2 3.49Å; Y178-H182 VanDerWaalsContact CE1-CD2 3.49Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.47Å; Y178-H182 AromaticContact CZ-CD2 3.67Å; Y178-H182 AromaticContact CZ-NE2 3.96Å; Y178-H182 WeakPolarHBondContact O-CA 3.41Å; Y178-H182 WeakPolarHBondContact O-CB 3.43Å; Y178-H182 PolarHBondContact O-N 2.87Å; Y178-H182 PolarHBondContact OH-NE2 3.24Å
179F97.2Very high96.9Very high93 Ų9347.8 Ų47.841%0.40825%0.252SS..Hα-helixtrans-78.1-40.4-174-83.6-89.2000113F175 I176 N181 H182 P268F175-F179 AromaticContact CD2-CD2 3.6Å; F175-F179 HydrophobicContact CD2-CD2 3.6Å; F175-F179 AromaticContact CD2-CE2 3.63Å; F175-F179 HydrophobicContact CD2-CE2 3.63Å; F175-F179 AromaticContact CE2-CD2 3.65Å; F175-F179 HydrophobicContact CE2-CD2 3.65Å; F175-F179 AromaticContact CE2-CE2 3.36Å; F175-F179 HydrophobicContact CE2-CE2 3.36Å; F175-F179 HydrophobicContact CE2-CZ 4.24Å; F175-F179 WeakPolarHBondContact O-CD2 3.34Å; F175-F179 PolarHBondContact O-N 3.31Å; I176-F179 PolarHBondContact O-N 2.84Å; F179-N181 PolarHBondContact O-N 3.41Å; F179-H182 WeakPolarHBondContact O-CB 3.19Å; F179-H182 PolarHBondContact O-N 3.25Å; F179-P268 HydrophobicContact CB-CG 3.87Å; F179-P268 HydrophobicContact CD2-CG 3.74Å; F179-P268 HydrophobicContact CG-CG 3.84Å
180T97.4Very high96.8Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-64.7-31176.8-56.40000111.8A131 I176 T264A131-T180 HydrophobicContact CB-CG2 4.07Å; I176-T180 VanDerWaalsContact O-CB 3.31Å; I176-T180 WeakPolarHBondContact O-CB 3.45Å; I176-T180 PolarHBondContact O-N 3.25Å; I176-T180 PolarHBondContact O-OG1 2.97Å; I176-T180 VanDerWaalsContact O-OG1 3.06Å; T180-T264 HydrophobicContact CG2-CG2 4.14Å
181N97.3Very high96.7Very high0 Ų051.6 Ų51.60%028%0.283CS..THydrogen-bonded Turntrans-101.99.5178.7-57.8-62.8000113Y102 W106 R109 M121 R128 G177 F179Y102-N181 PolarHBondContact OH-ND2 3.48Å; W106-N181 VanDerWaalsContact CD1-OD1 3.3Å; R109-N181 WeakPolarHBondContact CD-O 3.27Å; M121-N181 HydrophobicContact CG-CB 4.42Å; M121-N181 WeakPolarHBondContact CG-O 3.38Å; M121-N181 HydrophobicContact SD-CB 3.82Å; R128-N181 VanDerWaalsContact NH1-C 3.32Å; R128-N181 PolarHBondContact NH1-O 3.47Å; R128-N181 VanDerWaalsContact NH1-O 3.11Å; G177-N181 VanDerWaalsContact O-CB 3.29Å; G177-N181 WeakPolarHBondContact O-CB 3.38Å; G177-N181 PolarHBondContact O-N 3.44Å; G177-N181 PolarHBondContact O-ND2 3.37Å; F179-N181 PolarHBondContact O-N 3.41Å
182H96.6Very high96.6Very high30 Ų3055.2 Ų55.214%0.13929%0.29CS..  trans-62.9147.7-178.3-161.7-100.5000111.8R128 Y178 F179 L184 Y185R128-H182 PolarHBondContact NH1-O 2.99Å; R128-H182 PolarHBondContact NH2-O 3.36Å; Y178-H182 AromaticContact CE1-CD2 3.49Å; Y178-H182 VanDerWaalsContact CE1-CD2 3.49Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.47Å; Y178-H182 AromaticContact CZ-CD2 3.67Å; Y178-H182 AromaticContact CZ-NE2 3.96Å; Y178-H182 WeakPolarHBondContact O-CA 3.41Å; Y178-H182 WeakPolarHBondContact O-CB 3.43Å; Y178-H182 PolarHBondContact O-N 2.87Å; Y178-H182 PolarHBondContact OH-NE2 3.24Å; F179-H182 WeakPolarHBondContact O-CB 3.19Å; F179-H182 PolarHBondContact O-N 3.25Å; H182-L184 PolarHBondContact ND1-N 2.95Å; H182-L184 VanDerWaalsContact ND1-N 3.12Å; H182-L184 PolarHBondContact O-N 2.86Å; H182-Y185 WeakPolarHBondContact O-CB 3.31Å; H182-Y185 PolarHBondContact O-N 2.77Å; H182-Y185 VanDerWaalsContact O-N 3.08Å
183H95Very high96.6Very high56 Ų5658.6 Ų58.626%0.25931%0.313SS..THydrogen-bonded Turntrans-65.8-23.5177.768.3-77.2000113.1P119 P120 S122P119-H183 HydrophobicContact CB-CB 4.07Å; P120-H183 WeakPolarHBondContact O-CB 3.39Å; S122-H183 PolarHBondContact OG-O 3.08Å
184L95.4Very high96.5Very high123 Ų12359.6 Ų59.664%0.64432%0.318SS*.THydrogen-bonded Turntrans-10018.3173-51.7178000113.3H182 T186H182-L184 PolarHBondContact ND1-N 2.95Å; H182-L184 VanDerWaalsContact ND1-N 3.12Å; H182-L184 PolarHBondContact O-N 2.86Å; L184-T186 PolarHBondContact O-N 3.29Å
185Y96.3Very high96.5Very high16 Ų1656 Ų566%0.06330%0.299CS..PPolyproline II helixtrans-60.4129.1175.9167.3-91.6000110D124 L127 H182 T264 T266D124-Y185 HydrophobicContact CB-CD1 4.4Å; D124-Y185 HydrophobicContact CB-CE1 4.28Å; L127-Y185 HydrophobicContact CD2-CE1 3.81Å; L127-Y185 WeakPolarHBondContact CD2-OH 3.41Å; H182-Y185 WeakPolarHBondContact O-CB 3.31Å; H182-Y185 PolarHBondContact O-N 2.77Å; H182-Y185 VanDerWaalsContact O-N 3.08Å; Y185-T264 VanDerWaalsContact CE2-O 3.31Å; Y185-T264 WeakPolarHBondContact CE2-O 3.32Å; Y185-T264 PolarHBondContact OH-O 3.19Å; Y185-T266 HydrophobicContact CD2-CG2 4.06Å; Y185-T266 HydrophobicContact CE2-CG2 3.6Å
186T94.7Very high96.5Very high95 Ų9555 Ų5558%0.58330%0.298SS*.PPolyproline II helixtrans-96.8130.4176.154.40000109.8L184L184-T186 PolarHBondContact O-N 3.29Å
187P91.1Very high96.5Very high61 Ų6159.2 Ų59.240%0.39632%0.32SS..PPolyproline II helixtrans-65.2164.717926.6-33.8000112.7
188P96Very high96.6Very high6 Ų659.2 Ų59.24%0.03932%0.32CS..PPolyproline II helixtrans-55.4136.8176.6-27.738.1000113.1L127 L190 G191 Q194 I195 M263 Q265L127-P188 HydrophobicContact CD2-CG 4.08Å; P188-L190 VanDerWaalsContact C-N 3.32Å; P188-L190 PolarHBondContact O-N 3.49Å; P188-G191 PolarHBondContact O-N 3.4Å; P188-Q194 HydrophobicContact CB-CB 4.41Å; P188-Q194 VanDerWaalsContact CB-CD 3.47Å; P188-Q194 HydrophobicContact CB-CG 3.95Å; P188-I195 HydrophobicContact CB-CG1 4.4Å; P188-I195 HydrophobicContact CG-CD1 4.29Å; P188-I195 HydrophobicContact CG-CG1 3.8Å; P188-M263 WeakPolarHBondContact CG-O 3.35Å; P188-Q265 HydrophobicContact CB-CB 4.3Å; P188-Q265 HydrophobicContact CG-CB 4.28Å
189T95.7Very high96.6Very high116 Ų11658.5 Ų58.571%0.71232%0.319SS*.THydrogen-bonded Turntrans-67.3-30.7-170.154.40000113.5G191 Q265T189-G191 PolarHBondContact O-N 3.01Å; T189-Q265 PolarHBondContact OG1-OE1 3.34Å
190L96.6Very high96.7Very high134 Ų13459.9 Ų59.970%0.70233%0.325SS*.THydrogen-bonded Turntrans-90.114.1175.9-52.1174.7000112.4P188 Q194P188-L190 VanDerWaalsContact C-N 3.32Å; P188-L190 PolarHBondContact O-N 3.49Å; L190-Q194 HydrophobicContact CB-CB 3.82Å; L190-Q194 VanDerWaalsContact N-OE1 3.14Å
191G95.5Very high96.7Very high32 Ų3262.7 Ų62.733%0.3334%0.34SS..Hα-helixtrans61.9-143.8172.300000114.2P188 T189 T193 Q194 I195P188-G191 PolarHBondContact O-N 3.4Å; T189-G191 PolarHBondContact O-N 3.01Å; G191-T193 VanDerWaalsContact C-N 3.32Å; G191-T193 PolarHBondContact O-N 2.71Å; G191-Q194 PolarHBondContact O-N 3.4Å; G191-I195 PolarHBondContact O-N 3.01Å
192H96.4Very high96.8Very high115 Ų11563 Ų6353%0.53234%0.341SS..Hα-helixtrans-63.6-35.2-169.9-168.329.2000113.5Q194 I195 V196H192-Q194 VanDerWaalsContact C-N 3.31Å; H192-Q194 PolarHBondContact O-N 3.01Å; H192-I195 WeakPolarHBondContact O-CB 3.41Å; H192-I195 PolarHBondContact O-N 3.35Å; H192-I195 VanDerWaalsContact O-N 3.14Å; H192-V196 WeakPolarHBondContact O-CG2 3.15Å; H192-V196 PolarHBondContact O-N 2.91Å
193T97.7Very high96.9Very high99 Ų9965.7 Ų65.761%0.60736%0.355SS*.Hα-helixtrans-58.3-43.1178-55.30000111.8G191 V196 I197G191-T193 VanDerWaalsContact C-N 3.32Å; G191-T193 PolarHBondContact O-N 2.71Å; T193-V196 PolarHBondContact O-N 3.17Å; T193-I197 HydrophobicContact CG2-CD1 3.94Å; T193-I197 VanDerWaalsContact O-CG1 3.31Å; T193-I197 WeakPolarHBondContact O-CG1 3.47Å; T193-I197 PolarHBondContact O-N 3.3Å
194Q98.2Very high97.1Very high22 Ų2266.7 Ų66.710%0.10336%0.361CS..Hα-helixtrans-66.6-39176.6168.2177.2-6.900112.5P188 L190 G191 H192 V196 I197 G198 I262P188-Q194 HydrophobicContact CB-CB 4.41Å; P188-Q194 VanDerWaalsContact CB-CD 3.47Å; P188-Q194 HydrophobicContact CB-CG 3.95Å; L190-Q194 HydrophobicContact CB-CB 3.82Å; L190-Q194 VanDerWaalsContact N-OE1 3.14Å; G191-Q194 PolarHBondContact O-N 3.4Å; H192-Q194 VanDerWaalsContact C-N 3.31Å; H192-Q194 PolarHBondContact O-N 3.01Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.28Å; Q194-I197 PolarHBondContact O-N 3.32Å; Q194-G198 PolarHBondContact O-N 3.31Å; Q194-I262 HydrophobicContact CG-CG2 3.79Å; Q194-I262 WeakPolarHBondContact CG-O 3.49Å; Q194-I262 PolarHBondContact NE2-O 3.06Å
195I98Very high97.3Very high19 Ų1960.8 Ų60.810%0.09733%0.33CS..Hα-helixtrans-59-47.1174.8-64169.2000110L127 P188 G191 H192 G198 F199 M263L127-I195 HydrophobicContact CB-CD1 4.45Å; L127-I195 HydrophobicContact CD1-CB 4.32Å; L127-I195 HydrophobicContact CD1-CD1 3.87Å; L127-I195 HydrophobicContact CD1-CG1 3.78Å; L127-I195 HydrophobicContact CD1-CG2 3.64Å; L127-I195 HydrophobicContact CD2-CD1 4.19Å; L127-I195 HydrophobicContact CG-CD1 4.41Å; P188-I195 HydrophobicContact CB-CG1 4.4Å; P188-I195 HydrophobicContact CG-CD1 4.29Å; P188-I195 HydrophobicContact CG-CG1 3.8Å; G191-I195 PolarHBondContact O-N 3.01Å; H192-I195 WeakPolarHBondContact O-CB 3.41Å; H192-I195 PolarHBondContact O-N 3.35Å; H192-I195 VanDerWaalsContact O-N 3.14Å; I195-G198 PolarHBondContact O-N 3.22Å; I195-F199 VanDerWaalsContact O-CB 3.31Å; I195-F199 WeakPolarHBondContact O-CB 3.23Å; I195-F199 PolarHBondContact O-N 3.25Å; I195-M263 HydrophobicContact CG2-CG 4.13Å
196V98.3Very high97.4Very high53 Ų5360.9 Ų60.932%0.32133%0.331SS..Hα-helixtrans-65.2-46.4-179.31730000111.5H192 T193 Q194 G198 F199 F200H192-V196 WeakPolarHBondContact O-CG2 3.15Å; H192-V196 PolarHBondContact O-N 2.91Å; T193-V196 PolarHBondContact O-N 3.17Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.28Å; V196-G198 PolarHBondContact O-N 2.65Å; V196-F199 PolarHBondContact O-N 3.43Å; V196-F200 HydrophobicContact CG1-CD2 3.64Å; V196-F200 HydrophobicContact CG1-CE2 3.56Å; V196-F200 VanDerWaalsContact O-CD2 3.26Å; V196-F200 WeakPolarHBondContact O-CD2 3.4Å; V196-F200 PolarHBondContact O-N 3.39Å
197I98.4Very high97.6Very high90 Ų9064.5 Ų64.546%0.46233%0.334SS..Hα-helixtrans-59.7-48.1176.5-69.9168.4000110.7T193 Q194 F199 F200 L201T193-I197 HydrophobicContact CG2-CD1 3.94Å; T193-I197 VanDerWaalsContact O-CG1 3.31Å; T193-I197 WeakPolarHBondContact O-CG1 3.47Å; T193-I197 PolarHBondContact O-N 3.3Å; Q194-I197 PolarHBondContact O-N 3.32Å; I197-F199 VanDerWaalsContact C-N 3.33Å; I197-F199 PolarHBondContact O-N 3.41Å; I197-F200 PolarHBondContact O-N 2.85Å; I197-L201 HydrophobicContact CG2-CD1 4.05Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 3.34Å
198G98.7Very high97.9Very high0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-61.1-41.6178.600000112.4Q194 I195 V196 L201 F202 G259Q194-G198 PolarHBondContact O-N 3.31Å; I195-G198 PolarHBondContact O-N 3.22Å; V196-G198 PolarHBondContact O-N 2.65Å; G198-L201 PolarHBondContact O-N 3.21Å; G198-F202 WeakPolarHBondContact O-CB 3.46Å; G198-F202 PolarHBondContact O-N 2.97Å; G198-G259 CarbonylContact C-O 3.55Å; G198-G259 VanDerWaalsContact CA-O 3.22Å; G198-G259 WeakPolarHBondContact CA-O 3.33Å; G198-G259 CarbonylContact O-C 3.52Å; G198-G259 VanDerWaalsContact O-C 3.29Å; G198-G259 VanDerWaalsContact O-CA 3.27Å; G198-G259 WeakPolarHBondContact O-CA 3.36Å
199F98.7Very high98Very high68 Ų6861.3 Ų61.330%0.29831%0.314SS..Hα-helixtrans-62.1-47.6175.2175.9-100.8000112.4V130 I195 V196 I197 L201 F202 M203 M263V130-F199 HydrophobicContact CG1-CD2 3.88Å; V130-F199 HydrophobicContact CG1-CE2 4.3Å; I195-F199 VanDerWaalsContact O-CB 3.31Å; I195-F199 WeakPolarHBondContact O-CB 3.23Å; I195-F199 PolarHBondContact O-N 3.25Å; V196-F199 PolarHBondContact O-N 3.43Å; I197-F199 VanDerWaalsContact C-N 3.33Å; I197-F199 PolarHBondContact O-N 3.41Å; F199-L201 PolarHBondContact O-N 3.13Å; F199-F202 WeakPolarHBondContact O-CB 3.17Å; F199-F202 PolarHBondContact O-N 2.9Å; F199-F202 VanDerWaalsContact O-N 3.16Å; F199-M203 HydrophobicContact CD1-CG 4.28Å; F199-M203 HydrophobicContact CD2-CG 4.43Å; F199-M203 HydrophobicContact CE1-CG 3.82Å; F199-M203 HydrophobicContact CE2-CG 3.99Å; F199-M203 HydrophobicContact CE2-SD 4.06Å; F199-M203 HydrophobicContact CZ-CG 3.66Å; F199-M203 HydrophobicContact CZ-SD 3.99Å; F199-M203 WeakPolarHBondContact O-CG 3.37Å; F199-M203 PolarHBondContact O-N 3.06Å; F199-M263 HydrophobicContact CB-SD 4.03Å; F199-M263 HydrophobicContact CD2-SD 4.37Å
200F98.6Very high98.1Very high123 Ų12359.7 Ų59.754%0.53930%0.297SS..Hα-helixtrans-65.6-39.2178.8-82.5-66.8000112.6V196 I197 F202 M203 I204V196-F200 HydrophobicContact CG1-CD2 3.64Å; V196-F200 HydrophobicContact CG1-CE2 3.56Å; V196-F200 VanDerWaalsContact O-CD2 3.26Å; V196-F200 WeakPolarHBondContact O-CD2 3.4Å; V196-F200 PolarHBondContact O-N 3.39Å; I197-F200 PolarHBondContact O-N 2.85Å; F200-F202 VanDerWaalsContact C-N 3.29Å; F200-F202 PolarHBondContact O-N 3.14Å; F200-M203 PolarHBondContact O-N 3.46Å; F200-I204 WeakPolarHBondContact O-CB 3.32Å; F200-I204 VanDerWaalsContact O-CG1 3.29Å; F200-I204 WeakPolarHBondContact O-CG1 3.34Å; F200-I204 PolarHBondContact O-N 3.45Å
201L98.7Very high98.2Very high59 Ų5953.6 Ų53.631%0.30927%0.265SS..Hα-helixtrans-59.5-42.8171.7-75.4173.4000111.4I197 G198 F199 I204 G205 I255 I262I197-L201 HydrophobicContact CG2-CD1 4.05Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 3.34Å; G198-L201 PolarHBondContact O-N 3.21Å; F199-L201 PolarHBondContact O-N 3.13Å; L201-I204 PolarHBondContact O-N 3.34Å; L201-G205 PolarHBondContact O-N 3.07Å; L201-I255 WeakPolarHBondContact O-CG2 3.49Å; L201-I262 HydrophobicContact CD1-CD1 3.82Å
202F98.9Very high98.2Very high5 Ų552 Ų522%0.02225%0.25CC..Hα-helixtrans-57.9-49.9174.7-177.3-90.7000111.5C134 H138 G198 F199 F200 I204 G205 E206 S256 W257 F260C134-F202 HydrophobicContact CB-CD1 3.95Å; C134-F202 HydrophobicContact CB-CE1 3.52Å; C134-F202 HydrophobicContact CB-CE2 4.22Å; C134-F202 HydrophobicContact CB-CG 4.45Å; C134-F202 HydrophobicContact CB-CZ 3.68Å; C134-F202 VanDerWaalsContact O-CZ 3.26Å; C134-F202 WeakPolarHBondContact O-CZ 3.18Å; H138-F202 HydrophobicContact CB-CZ 4.1Å; G198-F202 WeakPolarHBondContact O-CB 3.46Å; G198-F202 PolarHBondContact O-N 2.97Å; F199-F202 WeakPolarHBondContact O-CB 3.17Å; F199-F202 PolarHBondContact O-N 2.9Å; F199-F202 VanDerWaalsContact O-N 3.16Å; F200-F202 VanDerWaalsContact C-N 3.29Å; F200-F202 PolarHBondContact O-N 3.14Å; F202-I204 PolarHBondContact O-N 3Å; F202-G205 PolarHBondContact O-N 3.2Å; F202-E206 HydrophobicContact CD1-CG 3.94Å; F202-E206 HydrophobicContact CE1-CG 3.48Å; F202-E206 VanDerWaalsContact CE1-CG 3.48Å; F202-E206 HydrophobicContact CE2-CG 4.29Å; F202-E206 HydrophobicContact CZ-CG 3.67Å; F202-E206 WeakPolarHBondContact O-CG 3.47Å; F202-E206 PolarHBondContact O-N 3.28Å; F202-S256 VanDerWaalsContact CD2-O 3.27Å; F202-S256 WeakPolarHBondContact CD2-O 3.42Å; F202-W257 HydrophobicContact CE2-CZ3 4.48Å; F202-F260 HydrophobicContact CD2-CB 3.89Å; F202-F260 HydrophobicContact CD2-CD2 4.11Å; F202-F260 HydrophobicContact CD2-CG 4.49Å; F202-F260 HydrophobicContact CE2-CB 4.29Å; F202-F260 HydrophobicContact CE2-CD2 4.03Å
203M98.8Very high98.2Very high87 Ų8747.3 Ų47.343%0.42923%0.228SC..Hα-helixtrans-64.5-40.2-179.2-66.8-54.2-63.200113.1F199 F200 G205 E206 W207F199-M203 HydrophobicContact CD1-CG 4.28Å; F199-M203 HydrophobicContact CD2-CG 4.43Å; F199-M203 HydrophobicContact CE1-CG 3.82Å; F199-M203 HydrophobicContact CE2-CG 3.99Å; F199-M203 HydrophobicContact CE2-SD 4.06Å; F199-M203 HydrophobicContact CZ-CG 3.66Å; F199-M203 HydrophobicContact CZ-SD 3.99Å; F199-M203 WeakPolarHBondContact O-CG 3.37Å; F199-M203 PolarHBondContact O-N 3.06Å; F200-M203 PolarHBondContact O-N 3.46Å; M203-G205 VanDerWaalsContact C-N 3.32Å; M203-G205 PolarHBondContact O-N 3.36Å; M203-E206 PolarHBondContact O-N 2.99Å; M203-W207 WeakPolarHBondContact O-CB 3.27Å; M203-W207 PolarHBondContact O-N 2.97Å
204I98.6Very high98.1Very high77 Ų7744.4 Ų44.440%0.39521%0.208SC..Hα-helixtrans-59.5-45.8173.8-75.5169000110.5F200 L201 F202 G208 F238F200-I204 WeakPolarHBondContact O-CB 3.32Å; F200-I204 VanDerWaalsContact O-CG1 3.29Å; F200-I204 WeakPolarHBondContact O-CG1 3.34Å; F200-I204 PolarHBondContact O-N 3.45Å; L201-I204 PolarHBondContact O-N 3.34Å; F202-I204 PolarHBondContact O-N 3Å; I204-G208 PolarHBondContact O-N 3.05Å; I204-F238 HydrophobicContact CG2-CE1 3.98Å
205G98.7Very high97.9Very high0 Ų043.5 Ų43.50%021%0.205CC..Hα-helixtrans-62.2-47.5176.300000112.1L201 F202 M203 W207 G208 N209 Y252 S256L201-G205 PolarHBondContact O-N 3.07Å; F202-G205 PolarHBondContact O-N 3.2Å; M203-G205 VanDerWaalsContact C-N 3.32Å; M203-G205 PolarHBondContact O-N 3.36Å; G205-W207 PolarHBondContact O-N 2.96Å; G205-G208 PolarHBondContact O-N 3.35Å; G205-N209 WeakPolarHBondContact O-CB 3.19Å; G205-N209 PolarHBondContact O-N 3.37Å; G205-Y252 VanDerWaalsContact CA-O 3.23Å; G205-Y252 WeakPolarHBondContact CA-O 3.3Å; G205-Y252 WeakPolarHBondContact O-CB 3.48Å; G205-S256 WeakPolarHBondContact CA-OG 3.24Å
206E98.8Very high97.6Very high17 Ų1743.5 Ų43.58%0.07921%0.205CC..Hα-helixtrans-64.8-43.6-177.1-76.9-64.2100.600112.3H138 K141 F202 M203 F210 S256H138-E206 WeakPolarHBondContact CA-OE2 3.49Å; H138-E206 IonicContact CE1-OE1 2.99Å; H138-E206 IonicContact CG-OE1 3.87Å; H138-E206 IonicContact CG-OE2 3.89Å; H138-E206 IonicContact ND1-OE1 3.4Å; H138-E206 PolarHBondContact ND1-OE1 3.4Å; H138-E206 IonicContact ND1-OE2 3.61Å; H138-E206 PolarHBondContact ND1-OE2 2.79Å; K141-E206 WeakPolarHBondContact CD-OE2 3.49Å; K141-E206 VanDerWaalsContact CE-OE2 3.26Å; K141-E206 WeakPolarHBondContact CE-OE2 3.22Å; K141-E206 IonicContact NZ-OE1 2.7Å; K141-E206 PolarHBondContact NZ-OE1 2.8Å; K141-E206 VanDerWaalsContact NZ-OE1 3.09Å; K141-E206 IonicContact NZ-OE2 2.9Å; K141-E206 PolarHBondContact NZ-OE2 3.39Å; F202-E206 HydrophobicContact CD1-CG 3.94Å; F202-E206 HydrophobicContact CE1-CG 3.48Å; F202-E206 VanDerWaalsContact CE1-CG 3.48Å; F202-E206 HydrophobicContact CE2-CG 4.29Å; F202-E206 HydrophobicContact CZ-CG 3.67Å; F202-E206 WeakPolarHBondContact O-CG 3.47Å; F202-E206 PolarHBondContact O-N 3.28Å; M203-E206 PolarHBondContact O-N 2.99Å; E206-F210 WeakPolarHBondContact O-CB 3.37Å; E206-F210 PolarHBondContact O-N 3.35Å; E206-S256 PolarHBondContact N-OG 2.85Å; E206-S256 VanDerWaalsContact N-OG 3.16Å; E206-S256 PolarHBondContact OE1-OG 3.38Å
207W98.4Very high97.2Very high172 Ų17244 Ų4465%0.65220%0.203SC*.Hα-helixtrans-62.2-50.2174.7-169.8-42.4000110.5M203 G205 N209 F210 S211 F238M203-W207 WeakPolarHBondContact O-CB 3.27Å; M203-W207 PolarHBondContact O-N 2.97Å; G205-W207 PolarHBondContact O-N 2.96Å; W207-N209 VanDerWaalsContact C-N 3.31Å; W207-N209 PolarHBondContact O-N 2.84Å; W207-F210 PolarHBondContact O-N 2.6Å; W207-S211 PolarHBondContact NE1-OG 2.94Å; W207-S211 WeakPolarHBondContact O-CB 3.26Å; W207-S211 PolarHBondContact O-N 2.97Å; W207-S211 PolarHBondContact O-OG 3.38Å; W207-F238 HydrophobicContact CB-CD2 4.41Å; W207-F238 HydrophobicContact CB-CE2 3.98Å; W207-F238 HydrophobicContact CB-CZ 4.41Å; W207-F238 AromaticContact CD1-CD2 3.19Å; W207-F238 AromaticContact CD1-CE2 3.32Å; W207-F238 HydrophobicContact CD2-CD2 4.43Å; W207-F238 AromaticContact CD2-CE2 3.82Å; W207-F238 HydrophobicContact CD2-CE2 3.82Å; W207-F238 AromaticContact CE2-CE2 3.98Å; W207-F238 AromaticContact CG-CD2 3.82Å; W207-F238 HydrophobicContact CG-CD2 3.82Å; W207-F238 AromaticContact CG-CE2 3.46Å; W207-F238 HydrophobicContact CG-CE2 3.46Å; W207-F238 VanDerWaalsContact CG-CE2 3.46Å; W207-F238 HydrophobicContact CG-CZ 4.31Å; W207-F238 AromaticContact NE1-CD2 3.61Å; W207-F238 AromaticContact NE1-CE2 3.71Å
208G98.4Very high96.7Very high0 Ų047.6 Ų47.60%021%0.21CC..Hα-helixtrans-62.5-39.7-177.600000112.6I204 G205 S211 C212 Y252I204-G208 PolarHBondContact O-N 3.05Å; G205-G208 PolarHBondContact O-N 3.35Å; G208-S211 PolarHBondContact O-N 3.28Å; G208-C212 PolarHBondContact O-N 2.89Å; G208-C212 PolarHBondContact O-SG 3.33Å; G208-Y252 WeakPolarHBondContact O-CD2 3.31Å
209N98.5Very high96Very high0 Ų049.3 Ų49.30%022%0.22CC..Hα-helixtrans-61.1-50.7174.9178.2-107.8000111.4K141 R142 G205 W207 S211 C212 H213 N249K141-N209 PolarHBondContact NZ-OD1 3.33Å; R142-N209 VanDerWaalsContact NH2-CG 3.27Å; R142-N209 PolarHBondContact NH2-ND2 3.39Å; R142-N209 PolarHBondContact NH2-OD1 3.38Å; G205-N209 WeakPolarHBondContact O-CB 3.19Å; G205-N209 PolarHBondContact O-N 3.37Å; W207-N209 VanDerWaalsContact C-N 3.31Å; W207-N209 PolarHBondContact O-N 2.84Å; N209-S211 PolarHBondContact O-N 2.96Å; N209-C212 PolarHBondContact O-N 3.01Å; N209-H213 PolarHBondContact O-N 3.18Å; N209-N249 PolarHBondContact ND2-O 3.06Å
210F98.1Very high95Very high81 Ų8148.8 Ų48.836%0.35522%0.216SC..Hα-helixtrans-59.6-44.5177.4178-124000112.3K141 E145 V149 E206 W207 C212 H213 L214K141-F210 HydrophobicContact CD-CB 4.35Å; E145-F210 HydrophobicContact CG-CD2 4.04Å; E145-F210 HydrophobicContact CG-CE2 4.26Å; E145-F210 VanDerWaalsContact OE1-CD2 3.29Å; E145-F210 WeakPolarHBondContact OE1-CD2 3.47Å; V149-F210 HydrophobicContact CG2-CE2 4.39Å; E206-F210 WeakPolarHBondContact O-CB 3.37Å; E206-F210 PolarHBondContact O-N 3.35Å; W207-F210 PolarHBondContact O-N 2.6Å; F210-C212 VanDerWaalsContact C-N 3.29Å; F210-C212 PolarHBondContact O-N 2.86Å; F210-H213 PolarHBondContact O-N 2.99Å; F210-H213 VanDerWaalsContact O-N 3.09Å; F210-L214 HydrophobicContact CD1-CD1 4Å; F210-L214 HydrophobicContact CD2-CD1 4.45Å; F210-L214 HydrophobicContact CD2-CG 4.31Å; F210-L214 HydrophobicContact CE1-CD1 3.5Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CE2-CD1 4.01Å; F210-L214 HydrophobicContact CE2-CD2 4.19Å; F210-L214 HydrophobicContact CE2-CG 3.97Å; F210-L214 HydrophobicContact CG-CD1 4.47Å; F210-L214 HydrophobicContact CZ-CD1 3.53Å; F210-L214 HydrophobicContact CZ-CD2 4.23Å; F210-L214 HydrophobicContact CZ-CG 4Å; F210-L214 PolarHBondContact O-N 2.78Å
211S97.3Very high93.8Very high6 Ų646.4 Ų46.44%0.04221%0.212CC..Hα-helixtrans-58.4-42.8177.9-63.10000111.6W207 G208 N209 L214 A215W207-S211 PolarHBondContact NE1-OG 2.94Å; W207-S211 WeakPolarHBondContact O-CB 3.26Å; W207-S211 PolarHBondContact O-N 2.97Å; W207-S211 PolarHBondContact O-OG 3.38Å; G208-S211 PolarHBondContact O-N 3.28Å; N209-S211 PolarHBondContact O-N 2.96Å; S211-L214 PolarHBondContact O-N 3.48Å; S211-A215 PolarHBondContact O-N 3.01Å
212C97.1Very high92.5Very high0 Ų047.4 Ų47.40%023%0.229CC..Hα-helixtrans-66.6-38.8176.2-67.20000112G208 N209 F210 A215 L216 F242 P248 N249G208-C212 PolarHBondContact O-N 2.89Å; G208-C212 PolarHBondContact O-SG 3.33Å; N209-C212 PolarHBondContact O-N 3.01Å; F210-C212 VanDerWaalsContact C-N 3.29Å; F210-C212 PolarHBondContact O-N 2.86Å; C212-A215 PolarHBondContact O-N 2.92Å; C212-L216 WeakPolarHBondContact O-CB 3.04Å; C212-L216 WeakPolarHBondContact O-CG 3.46Å; C212-L216 PolarHBondContact O-N 3.45Å; C212-F242 HydrophobicContact CB-CE2 4.31Å; C212-F242 HydrophobicContact CB-CZ 4.1Å; C212-P248 HydrophobicContact CB-CG 4.4Å; C212-N249 HydrophobicContact CB-CB 3.73Å
213H95.9Very high91Very high15 Ų1551.5 Ų51.57%0.06927%0.273CS..Hα-helixtrans-65.7-40.1176.6-70.7161.8000112.7E145 V149 H150 N209 F210 L216 K217 N249E145-H213 IonicContact OE1-ND1 2.62Å; E145-H213 IonicContact OE2-CE1 2.79Å; E145-H213 PolarHBondContact OE2-CE1 3.14Å; E145-H213 IonicContact OE2-CG 3.82Å; E145-H213 IonicContact OE2-ND1 3.37Å; E145-H213 PolarHBondContact OE2-ND1 2.96Å; V149-H213 HydrophobicContact CG1-CB 4.14Å; H150-H213 AromaticContact NE2-CE1 3.86Å; H150-H213 AromaticContact NE2-CG 3.81Å; H150-H213 AromaticContact NE2-ND1 3.63Å; N209-H213 PolarHBondContact O-N 3.18Å; F210-H213 PolarHBondContact O-N 2.99Å; F210-H213 VanDerWaalsContact O-N 3.09Å; H213-L216 PolarHBondContact O-N 3.15Å; H213-K217 PolarHBondContact O-N 3.05Å; H213-N249 PolarHBondContact NE2-ND2 2.83Å
214L94.5Very high89.6Confident38 Ų3849.2 Ų49.220%0.19927%0.265CS..Hα-helixtrans-62.9-41.5172.5-72.7178.3000112.1V149 F210 S211 K217 R218 W236V149-L214 HydrophobicContact CG1-CD2 4.03Å; V149-L214 HydrophobicContact CG2-CD2 4.04Å; F210-L214 HydrophobicContact CD1-CD1 4Å; F210-L214 HydrophobicContact CD2-CD1 4.45Å; F210-L214 HydrophobicContact CD2-CG 4.31Å; F210-L214 HydrophobicContact CE1-CD1 3.5Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CE2-CD1 4.01Å; F210-L214 HydrophobicContact CE2-CD2 4.19Å; F210-L214 HydrophobicContact CE2-CG 3.97Å; F210-L214 HydrophobicContact CG-CD1 4.47Å; F210-L214 HydrophobicContact CZ-CD1 3.53Å; F210-L214 HydrophobicContact CZ-CD2 4.23Å; F210-L214 HydrophobicContact CZ-CG 4Å; F210-L214 PolarHBondContact O-N 2.78Å; S211-L214 PolarHBondContact O-N 3.48Å; L214-K217 WeakPolarHBondContact O-CB 3.35Å; L214-K217 PolarHBondContact O-N 3.09Å; L214-R218 PolarHBondContact O-N 2.94Å; L214-W236 HydrophobicContact CB-CH2 3.95Å; L214-W236 HydrophobicContact CB-CZ3 3.63Å; L214-W236 HydrophobicContact CD1-CH2 3.64Å; L214-W236 HydrophobicContact CD1-CZ3 3.68Å; L214-W236 HydrophobicContact CG-CH2 4.45Å; L214-W236 HydrophobicContact CG-CZ3 4.32Å
215A93.6Very high88.2Confident4 Ų447.2 Ų47.23%0.03326%0.261CS..Hα-helixtrans-61.4-45.6173.800000111.9S211 C212 K217 R218 L219 M233 T239 F242S211-A215 PolarHBondContact O-N 3.01Å; C212-A215 PolarHBondContact O-N 2.92Å; A215-K217 VanDerWaalsContact C-N 3.27Å; A215-K217 PolarHBondContact O-N 3.41Å; A215-R218 PolarHBondContact O-N 3.32Å; A215-R218 VanDerWaalsContact O-N 3.13Å; A215-L219 PolarHBondContact O-N 2.91Å; A215-M233 WeakPolarHBondContact CA-SD 3.48Å; A215-M233 HydrophobicContact CB-CG 4.11Å; A215-M233 HydrophobicContact CB-SD 3.41Å; A215-M233 WeakPolarHBondContact CB-SD 3.46Å; A215-T239 HydrophobicContact CB-CG2 4.1Å; A215-F242 HydrophobicContact CB-CE2 3.87Å; A215-F242 HydrophobicContact CB-CZ 4.45Å
216L92.5Very high87Confident18 Ų1851.3 Ų51.39%0.09429%0.285CS..Hα-helixtrans-63.9-30.1178.1-72168.1000113.3C212 H213 L219 P230 F242C212-L216 WeakPolarHBondContact O-CB 3.04Å; C212-L216 WeakPolarHBondContact O-CG 3.46Å; C212-L216 PolarHBondContact O-N 3.45Å; H213-L216 PolarHBondContact O-N 3.15Å; L216-L219 HydrophobicContact CD2-CD1 4.27Å; L216-P230 HydrophobicContact CD2-CB 4.21Å; L216-F242 HydrophobicContact CD2-CE1 4.35Å; L216-F242 HydrophobicContact CD2-CZ 4.27Å; L216-F242 HydrophobicContact CG-CZ 4.13Å
217K90.3Very high86.1Confident64 Ų6454.1 Ų54.128%0.27830%0.295SS..Hα-helixtrans-64.2-42.4172.9178-173.6-175.6173.10111.6F148 V149 H213 L214 A215 L219 R220F148-K217 PolarHBondContact O-NZ 3.05Å; V149-K217 HydrophobicContact CG1-CB 4.24Å; V149-K217 HydrophobicContact CG1-CD 4.25Å; V149-K217 WeakPolarHBondContact O-CB 3.12Å; V149-K217 WeakPolarHBondContact O-CD 3.36Å; V149-K217 VanDerWaalsContact O-CG 3.25Å; V149-K217 WeakPolarHBondContact O-CG 3.4Å; H213-K217 PolarHBondContact O-N 3.05Å; L214-K217 WeakPolarHBondContact O-CB 3.35Å; L214-K217 PolarHBondContact O-N 3.09Å; A215-K217 VanDerWaalsContact C-N 3.27Å; A215-K217 PolarHBondContact O-N 3.41Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.8Å; K217-R220 PolarHBondContact O-N 3.18Å; K217-R220 VanDerWaalsContact O-O 3.06Å
218R86.7Confident85.5Confident165 Ų16550.4 Ų50.462%0.62329%0.285SS*.Hα-helixtrans-65.8-33.6-177.3-69-174.3-179.4-162.71.8112.8L214 A215 R220L214-R218 PolarHBondContact O-N 2.94Å; A215-R218 PolarHBondContact O-N 3.32Å; A215-R218 VanDerWaalsContact O-N 3.13Å; R218-R220 PolarHBondContact O-N 3.04Å
219L84.6Confident85.1Confident37 Ų3751 Ų5119%0.19429%0.288CS..THydrogen-bonded Turntrans-68.4-12.1178-63.5170.2000114.2A215 L216 K217 Q228 P230A215-L219 PolarHBondContact O-N 2.91Å; L216-L219 HydrophobicContact CD2-CD1 4.27Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.8Å; L219-Q228 HydrophobicContact CB-CB 4.45Å; L219-Q228 HydrophobicContact CD2-CB 4.36Å; L219-Q228 PolarHBondContact O-OE1 2.95Å; L219-P230 VanDerWaalsContact CD1-CA 3.43Å; L219-P230 HydrophobicContact CD1-CB 3.46Å; L219-P230 VanDerWaalsContact CD1-CB 3.46Å
220R79Confident84.7Confident57 Ų5751 Ų5122%0.21529%0.288CS..SBendtrans-120.696.8177.8-90.5-179.6-85-175.3-4.1108.9R151 K217 R218 V226R151-R220 HydrophobicContact CB-CB 4.41Å; R151-R220 WeakPolarHBondContact CD-O 3.41Å; R151-R220 PolarHBondContact NH1-O 3.28Å; R151-R220 PolarHBondContact O-NH1 3.32Å; K217-R220 PolarHBondContact O-N 3.18Å; K217-R220 VanDerWaalsContact O-O 3.06Å; R218-R220 PolarHBondContact O-N 3.04Å; R220-V226 WeakPolarHBondContact CG-O 3.42Å
221P73.5Confident84.4Confident73 Ų7352.1 Ų52.147%0.47429%0.291SS..  trans-49.8152.6171.7-26.234.1000111.9G223 S224P221-G223 PolarHBondContact O-N 2.9Å; P221-S224 WeakPolarHBondContact O-CB 3.43Å; P221-S224 PolarHBondContact O-N 3.11Å
222A70.1Confident84.2Confident79 Ų7953.4 Ų53.465%0.65330%0.299SS*.THydrogen-bonded Turntrans-59131.7178.100000109.5S224A222-S224 VanDerWaalsContact C-N 3.28Å; A222-S224 PolarHBondContact O-N 3.43Å
223G66.9Low83.9Confident92 Ų9254.9 Ų54.995%0.94831%0.306SS*.THydrogen-bonded Turntrans79.8-3.2-176.200000115.7P221P221-G223 PolarHBondContact O-N 2.9Å
224S70.9Confident83.6Confident38 Ų3861.9 Ų61.927%0.26634%0.344SS..  trans-97.4134.5179.5-178.10000112.8P221 A222 V226P221-S224 WeakPolarHBondContact O-CB 3.43Å; P221-S224 PolarHBondContact O-N 3.11Å; A222-S224 VanDerWaalsContact C-N 3.28Å; A222-S224 PolarHBondContact O-N 3.43Å; S224-V226 VanDerWaalsContact OG-CB 3.32Å; S224-V226 WeakPolarHBondContact OG-CB 3.37Å; S224-V226 VanDerWaalsContact OG-CG2 3.27Å; S224-V226 WeakPolarHBondContact OG-CG2 3.42Å; S224-V226 PolarHBondContact OG-N 3.36Å; S224-V226 VanDerWaalsContact OG-N 3.08Å
225A68.2Low83.4Confident36 Ų3664.1 Ų64.130%0.29838%0.376SS..  trans-93.61.9167.900000112.9R227A225-R227 PolarHBondContact O-N 3.45Å
226V74.1Confident83.4Confident86 Ų8667.6 Ų67.652%0.52139%0.389SS..  trans-61.8132-176177.40000110.2R220 S224 Q228R220-V226 WeakPolarHBondContact CG-O 3.42Å; S224-V226 VanDerWaalsContact OG-CB 3.32Å; S224-V226 WeakPolarHBondContact OG-CB 3.37Å; S224-V226 VanDerWaalsContact OG-CG2 3.27Å; S224-V226 WeakPolarHBondContact OG-CG2 3.42Å; S224-V226 PolarHBondContact OG-N 3.36Å; S224-V226 VanDerWaalsContact OG-N 3.08Å; V226-Q228 HydrophobicContact CG1-CG 4.39Å
227R78.8Confident83.6Confident76 Ų7673.1 Ų73.129%0.28741%0.412SS..  trans-93.3136.5174.6-171.8164.7175.4178.3-4.6109.2A225 K287 Y291 E294 F295A225-R227 PolarHBondContact O-N 3.45Å; R227-K287 PolarHBondContact NH2-O 3.2Å; R227-K287 VanDerWaalsContact NH2-O 3.16Å; R227-Y291 HydrophobicContact CG-CE1 3.96Å; R227-E294 WeakPolarHBondContact CD-OE2 3.47Å; R227-E294 IonicContact NE-OE2 3.52Å; R227-F295 HydrophobicContact CB-CZ 4.41Å; R227-F295 HydrophobicContact CG-CE2 4.28Å; R227-F295 HydrophobicContact CG-CZ 4.29Å; R227-F295 VanDerWaalsContact O-CZ 3.28Å; R227-F295 WeakPolarHBondContact O-CZ 3.36Å
228Q86.5Confident83.9Confident94 Ų9471.6 Ų71.644%0.43941%0.406SS..  trans-127.1158.4174.6-64.7-174.1-31.700109.7L219 V226 P230 Y291L219-Q228 HydrophobicContact CB-CB 4.45Å; L219-Q228 HydrophobicContact CD2-CB 4.36Å; L219-Q228 PolarHBondContact O-OE1 2.95Å; V226-Q228 HydrophobicContact CG1-CG 4.39Å; Q228-P230 WeakPolarHBondContact O-CD 3.38Å; Q228-Y291 WeakPolarHBondContact O-CE1 3.37Å
229I89.1Confident84.4Confident12 Ų1263.7 Ų63.76%0.06238%0.376CS..  trans-72.3124.3170.6-58.7171.5000107.8Y231 F295 F298I229-Y231 HydrophobicContact CB-CD2 4.38Å; I229-Y231 HydrophobicContact CB-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CD2 4.19Å; I229-Y231 HydrophobicContact CG2-CE1 4.36Å; I229-Y231 HydrophobicContact CG2-CE2 3.56Å; I229-Y231 VanDerWaalsContact O-CD2 3.26Å; I229-Y231 WeakPolarHBondContact O-CD2 3.21Å; I229-F295 HydrophobicContact CD1-CB 3.53Å; I229-F295 HydrophobicContact CD1-CD1 4.06Å; I229-F295 HydrophobicContact CD1-CD2 4.3Å; I229-F295 HydrophobicContact CD1-CG 3.69Å; I229-F295 HydrophobicContact CG1-CB 3.96Å; I229-F295 HydrophobicContact CG1-CD1 3.91Å; I229-F295 HydrophobicContact CG1-CD2 3.73Å; I229-F295 HydrophobicContact CG1-CE1 4.4Å; I229-F295 HydrophobicContact CG1-CE2 4.26Å; I229-F295 HydrophobicContact CG1-CG 3.56Å; I229-F298 HydrophobicContact CD1-CB 4.31Å; I229-F298 HydrophobicContact CD1-CD2 3.96Å; I229-F298 HydrophobicContact CG1-CD2 3.92Å; I229-F298 HydrophobicContact CG2-CD2 3.93Å; I229-F298 HydrophobicContact CG2-CE2 3.94Å
230P90.3Very high85Confident1 Ų169.5 Ų69.51%0.00640%0.395CS..  trans-74135.1173.531.3-34.4000110.8L216 L219 Q228 F242 R302L216-P230 HydrophobicContact CD2-CB 4.21Å; L219-P230 VanDerWaalsContact CD1-CA 3.43Å; L219-P230 HydrophobicContact CD1-CB 3.46Å; L219-P230 VanDerWaalsContact CD1-CB 3.46Å; Q228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-F242 HydrophobicContact CB-CD1 3.5Å; P230-F242 VanDerWaalsContact CB-CD1 3.5Å; P230-F242 HydrophobicContact CB-CE1 3.41Å; P230-F242 VanDerWaalsContact CB-CE1 3.41Å; P230-F242 HydrophobicContact CB-CG 4.15Å; P230-F242 HydrophobicContact CB-CZ 4.01Å; P230-F242 HydrophobicContact CG-CD1 3.61Å; P230-F242 HydrophobicContact CG-CE1 3.66Å; P230-R302 PolarHBondContact O-NH1 3.27Å
231Y92Very high85.8Confident104 Ų10468.4 Ų68.441%0.40839%0.393SS..  trans-122158.9172.1-69.3-85.1000109.4I229 P299I229-Y231 HydrophobicContact CB-CD2 4.38Å; I229-Y231 HydrophobicContact CB-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CD2 4.19Å; I229-Y231 HydrophobicContact CG2-CE1 4.36Å; I229-Y231 HydrophobicContact CG2-CE2 3.56Å; I229-Y231 VanDerWaalsContact O-CD2 3.26Å; I229-Y231 WeakPolarHBondContact O-CD2 3.21Å; Y231-P299 HydrophobicContact CE1-CG 4.39Å
232P93.3Very high86.9Confident33 Ų3365 Ų6521%0.21437%0.371CS..PPolyproline II helixtrans-53.5144.6170-22.432.8000111.1T239 F242 N243P232-T239 WeakPolarHBondContact CA-O 3.37Å; P232-F242 HydrophobicContact CG-CB 4.26Å; P232-N243 VanDerWaalsContact CD-OD1 3.31Å; P232-N243 WeakPolarHBondContact CD-OD1 3.28Å; P232-N243 VanDerWaalsContact CG-CG 3.48Å; P232-N243 WeakPolarHBondContact CG-ND2 3.39Å; P232-N243 WeakPolarHBondContact CG-OD1 3.5Å
233M90.9Very high88.1Confident30 Ų3065.6 Ų65.615%0.14836%0.363CS..PPolyproline II helixtrans-94137.4171.5-69.8176.548.400109.9A215 G235 W236 T239A215-M233 WeakPolarHBondContact CA-SD 3.48Å; A215-M233 HydrophobicContact CB-CG 4.11Å; A215-M233 HydrophobicContact CB-SD 3.41Å; A215-M233 WeakPolarHBondContact CB-SD 3.46Å; M233-G235 PolarHBondContact O-N 3.45Å; M233-W236 HydrophobicContact CB-CB 4.04Å; M233-W236 HydrophobicContact CB-CG 4.1Å; M233-W236 HydrophobicContact CE-CD2 3.78Å; M233-W236 HydrophobicContact CE-CE3 4.12Å; M233-W236 HydrophobicContact CE-CG 4.25Å; M233-W236 HydrophobicContact CE-CH2 4.22Å; M233-W236 HydrophobicContact CE-CZ2 3.89Å; M233-W236 HydrophobicContact CE-CZ3 4.33Å; M233-W236 PolarHBondContact O-N 3.26Å; M233-W236 VanDerWaalsContact O-N 3.1Å; M233-W236 HydrophobicContact SD-CD2 4.46Å; M233-W236 HydrophobicContact SD-CE3 4.36Å; M233-T239 HydrophobicContact CB-CG2 4.42Å; M233-T239 PolarHBondContact N-OG1 3.1Å; M233-T239 PolarHBondContact O-OG1 2.8Å
234D89.7Confident89.6Confident162 Ų16263.9 Ų63.987%0.86633%0.332SS*.THydrogen-bonded Turntrans-59.5135.9177.5-61.5-36.7000111.1W236D234-W236 VanDerWaalsContact O-CD1 3.24Å; D234-W236 PolarHBondContact O-N 3.48Å
235G90.6Very high90.8Very high85 Ų8562.1 Ų62.188%0.87632%0.319SS*.THydrogen-bonded Turntrans76.7-7-17600000115.6M233M233-G235 PolarHBondContact O-N 3.45Å
236W93.6Very high92.2Very high78 Ų7860.4 Ų60.430%0.29531%0.305SS..  trans-107.188.4-174-70.443.4000111.2L214 M233 D234 F238 T239L214-W236 HydrophobicContact CB-CH2 3.95Å; L214-W236 HydrophobicContact CB-CZ3 3.63Å; L214-W236 HydrophobicContact CD1-CH2 3.64Å; L214-W236 HydrophobicContact CD1-CZ3 3.68Å; L214-W236 HydrophobicContact CG-CH2 4.45Å; L214-W236 HydrophobicContact CG-CZ3 4.32Å; M233-W236 HydrophobicContact CB-CB 4.04Å; M233-W236 HydrophobicContact CB-CG 4.1Å; M233-W236 HydrophobicContact CE-CD2 3.78Å; M233-W236 HydrophobicContact CE-CE3 4.12Å; M233-W236 HydrophobicContact CE-CG 4.25Å; M233-W236 HydrophobicContact CE-CH2 4.22Å; M233-W236 HydrophobicContact CE-CZ2 3.89Å; M233-W236 HydrophobicContact CE-CZ3 4.33Å; M233-W236 PolarHBondContact O-N 3.26Å; M233-W236 VanDerWaalsContact O-N 3.1Å; M233-W236 HydrophobicContact SD-CD2 4.46Å; M233-W236 HydrophobicContact SD-CE3 4.36Å; D234-W236 VanDerWaalsContact O-CD1 3.24Å; D234-W236 PolarHBondContact O-N 3.48Å; W236-F238 VanDerWaalsContact C-N 3.35Å; W236-F238 PolarHBondContact O-N 3.21Å; W236-T239 HydrophobicContact CB-CG2 3.75Å; W236-T239 HydrophobicContact CE3-CG2 4.11Å; W236-T239 PolarHBondContact O-N 3.24Å; W236-T239 PolarHBondContact O-OG1 3.42Å
237F96.3Very high93.3Very high133 Ų13356.3 Ų56.358%0.58328%0.281SS*.G310 helixtrans-47.1-50.4-172.4178.3-101.5000114.1T239 R240F237-T239 PolarHBondContact O-N 2.84Å; F237-R240 VanDerWaalsContact O-CB 3.25Å; F237-R240 WeakPolarHBondContact O-CB 3.19Å; F237-R240 VanDerWaalsContact O-CG 3.27Å; F237-R240 WeakPolarHBondContact O-CG 3.47Å; F237-R240 PolarHBondContact O-N 3.44Å
238F97.3Very high94.2Very high32 Ų3252.7 Ų52.714%0.1427%0.267CS..G310 helixtrans-66.5-20.4-177-67.3-69.8000114.4I204 W207 W236 R240 Y252I204-F238 HydrophobicContact CG2-CE1 3.98Å; W207-F238 HydrophobicContact CB-CD2 4.41Å; W207-F238 HydrophobicContact CB-CE2 3.98Å; W207-F238 HydrophobicContact CB-CZ 4.41Å; W207-F238 AromaticContact CD1-CD2 3.19Å; W207-F238 AromaticContact CD1-CE2 3.32Å; W207-F238 HydrophobicContact CD2-CD2 4.43Å; W207-F238 AromaticContact CD2-CE2 3.82Å; W207-F238 HydrophobicContact CD2-CE2 3.82Å; W207-F238 AromaticContact CE2-CE2 3.98Å; W207-F238 AromaticContact CG-CD2 3.82Å; W207-F238 HydrophobicContact CG-CD2 3.82Å; W207-F238 AromaticContact CG-CE2 3.46Å; W207-F238 HydrophobicContact CG-CE2 3.46Å; W207-F238 VanDerWaalsContact CG-CE2 3.46Å; W207-F238 HydrophobicContact CG-CZ 4.31Å; W207-F238 AromaticContact NE1-CD2 3.61Å; W207-F238 AromaticContact NE1-CE2 3.71Å; W236-F238 VanDerWaalsContact C-N 3.35Å; W236-F238 PolarHBondContact O-N 3.21Å; F238-R240 PolarHBondContact O-N 2.96Å; F238-Y252 HydrophobicContact CB-CE2 4.22Å; F238-Y252 AromaticContact CD1-CE1 3.69Å; F238-Y252 HydrophobicContact CD1-CE1 3.69Å; F238-Y252 AromaticContact CD1-CZ 3.7Å; F238-Y252 HydrophobicContact CE1-CE1 4.33Å; F238-Y252 VanDerWaalsContact O-CE2 3.31Å; F238-Y252 WeakPolarHBondContact O-CE2 3.17Å; F238-Y252 PolarHBondContact O-OH 3.1Å; F238-Y252 VanDerWaalsContact O-OH 3.06Å
239T96.8Very high94.7Very high0 Ų048.6 Ų48.60%025%0.248CC..G310 helixtrans-75.6-13.6176.270.20000112.5A215 P232 M233 W236 F237 M241 F242A215-T239 HydrophobicContact CB-CG2 4.1Å; P232-T239 WeakPolarHBondContact CA-O 3.37Å; M233-T239 HydrophobicContact CB-CG2 4.42Å; M233-T239 PolarHBondContact N-OG1 3.1Å; M233-T239 PolarHBondContact O-OG1 2.8Å; W236-T239 HydrophobicContact CB-CG2 3.75Å; W236-T239 HydrophobicContact CE3-CG2 4.11Å; W236-T239 PolarHBondContact O-N 3.24Å; W236-T239 PolarHBondContact O-OG1 3.42Å; F237-T239 PolarHBondContact O-N 2.84Å; T239-M241 PolarHBondContact O-N 3.27Å; T239-F242 WeakPolarHBondContact O-CB 3.24Å; T239-F242 WeakPolarHBondContact O-CD2 3.41Å; T239-F242 PolarHBondContact O-N 3.08Å
240R96.6Very high95.1Very high159 Ų15950.3 Ų50.360%0.625%0.254SS*.G310 helixtrans-57.2-24.4174.1-67179.6179-1730.6112.8F237 F238 F242 N243F237-R240 VanDerWaalsContact O-CB 3.25Å; F237-R240 WeakPolarHBondContact O-CB 3.19Å; F237-R240 VanDerWaalsContact O-CG 3.27Å; F237-R240 WeakPolarHBondContact O-CG 3.47Å; F237-R240 PolarHBondContact O-N 3.44Å; F238-R240 PolarHBondContact O-N 2.96Å; R240-F242 PolarHBondContact O-N 3.39Å; R240-F242 VanDerWaalsContact O-N 3.15Å; R240-N243 VanDerWaalsContact O-CB 3.32Å; R240-N243 WeakPolarHBondContact O-CB 3.37Å; R240-N243 PolarHBondContact O-N 2.88Å
241M97.2Very high95.5Very high34 Ų3450.8 Ų50.817%0.16726%0.257CS..G310 helixtrans-58.9-23.1174.8-166.661.878.100113.2T239 N243 L244 V245 P248 Y252 P307T239-M241 PolarHBondContact O-N 3.27Å; M241-N243 PolarHBondContact O-N 3.36Å; M241-N243 VanDerWaalsContact O-N 3.14Å; M241-L244 PolarHBondContact O-N 2.92Å; M241-L244 HydrophobicContact SD-CB 4.28Å; M241-L244 HydrophobicContact SD-CD1 4.05Å; M241-V245 HydrophobicContact CG-CG2 3.69Å; M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.48Å; M241-V245 HydrophobicContact SD-CG2 4.23Å; M241-P248 HydrophobicContact CB-CB 3.69Å; M241-P248 HydrophobicContact CG-CB 3.51Å; M241-Y252 HydrophobicContact CB-CE2 3.85Å; M241-Y252 HydrophobicContact CG-CE2 4.15Å; M241-P307 HydrophobicContact CE-CG 4.31Å; M241-P307 HydrophobicContact SD-CG 3.6Å; M241-P307 VanDerWaalsContact SD-CG 3.6Å
242F96.4Very high95.8Very high1 Ų146.5 Ų46.50%0.00424%0.24CC..G310 helixtrans-59.6-20.6171.2-77.2-64.7000113.5C212 A215 L216 P230 P232 T239 R240 L244 P248 R302C212-F242 HydrophobicContact CB-CE2 4.31Å; C212-F242 HydrophobicContact CB-CZ 4.1Å; A215-F242 HydrophobicContact CB-CE2 3.87Å; A215-F242 HydrophobicContact CB-CZ 4.45Å; L216-F242 HydrophobicContact CD2-CE1 4.35Å; L216-F242 HydrophobicContact CD2-CZ 4.27Å; L216-F242 HydrophobicContact CG-CZ 4.13Å; P230-F242 HydrophobicContact CB-CD1 3.5Å; P230-F242 VanDerWaalsContact CB-CD1 3.5Å; P230-F242 HydrophobicContact CB-CE1 3.41Å; P230-F242 VanDerWaalsContact CB-CE1 3.41Å; P230-F242 HydrophobicContact CB-CG 4.15Å; P230-F242 HydrophobicContact CB-CZ 4.01Å; P230-F242 HydrophobicContact CG-CD1 3.61Å; P230-F242 HydrophobicContact CG-CE1 3.66Å; P232-F242 HydrophobicContact CG-CB 4.26Å; T239-F242 WeakPolarHBondContact O-CB 3.24Å; T239-F242 WeakPolarHBondContact O-CD2 3.41Å; T239-F242 PolarHBondContact O-N 3.08Å; R240-F242 PolarHBondContact O-N 3.39Å; R240-F242 VanDerWaalsContact O-N 3.15Å; F242-L244 VanDerWaalsContact C-N 3.29Å; F242-P248 HydrophobicContact CD1-CG 3.27Å; F242-P248 HydrophobicContact CD2-CG 4.1Å; F242-P248 HydrophobicContact CE1-CG 3.14Å; F242-P248 HydrophobicContact CE2-CG 3.97Å; F242-P248 HydrophobicContact CG-CG 3.75Å; F242-P248 HydrophobicContact CZ-CG 3.5Å; F242-P248 VanDerWaalsContact CZ-CG 3.5Å; F242-R302 WeakPolarHBondContact O-CD 3.48Å; F242-R302 PolarHBondContact O-NE 3.16Å; F242-R302 PolarHBondContact O-NH1 2.74Å
243N95.5Very high96.1Very high91 Ų9145.4 Ų45.449%0.48723%0.232SC..G310 helixtrans-71.3-25.3173.5-71.4-23.8000112.9P232 R240 M241 R302P232-N243 VanDerWaalsContact CD-OD1 3.31Å; P232-N243 WeakPolarHBondContact CD-OD1 3.28Å; P232-N243 VanDerWaalsContact CG-CG 3.48Å; P232-N243 WeakPolarHBondContact CG-ND2 3.39Å; P232-N243 WeakPolarHBondContact CG-OD1 3.5Å; R240-N243 VanDerWaalsContact O-CB 3.32Å; R240-N243 WeakPolarHBondContact O-CB 3.37Å; R240-N243 PolarHBondContact O-N 2.88Å; M241-N243 PolarHBondContact O-N 3.36Å; M241-N243 VanDerWaalsContact O-N 3.14Å; N243-R302 WeakPolarHBondContact O-CG 3.26Å
244L96.8Very high96.4Very high57 Ų5745 Ų4530%0.29823%0.23SC..THydrogen-bonded Turntrans-103.6-37.3-172.2-56.5-179.4000112.1M241 F242 R302 K303 P307 F308M241-L244 PolarHBondContact O-N 2.92Å; M241-L244 HydrophobicContact SD-CB 4.28Å; M241-L244 HydrophobicContact SD-CD1 4.05Å; F242-L244 VanDerWaalsContact C-N 3.29Å; L244-R302 WeakPolarHBondContact O-CA 3.35Å; L244-K303 PolarHBondContact O-N 2.71Å; L244-P307 HydrophobicContact CB-CB 4.18Å; L244-P307 HydrophobicContact CD1-CB 4.09Å; L244-P307 HydrophobicContact CD1-CG 4.46Å; L244-F308 HydrophobicContact CD1-CE2 4.14Å; L244-F308 HydrophobicContact CD1-CZ 3.86Å; L244-F308 HydrophobicContact CD2-CE1 3.75Å; L244-F308 HydrophobicContact CD2-CZ 3.67Å; L244-F308 HydrophobicContact CG-CZ 4.37Å
245V97.6Very high96.9Very high0 Ų039.7 Ų39.70%020%0.201CC..BIsolated β-bridgetrans-135.2151.8-175-64.30000112.4M241 P248 K303 P307M241-V245 HydrophobicContact CG-CG2 3.69Å; M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.48Å; M241-V245 HydrophobicContact SD-CG2 4.23Å; V245-P248 HydrophobicContact CG2-CB 3.84Å; V245-K303 CarbonylContact C-O 3.53Å; V245-K303 WeakPolarHBondContact CA-O 3.45Å; V245-K303 HydrophobicContact CG1-CB 4.16Å; V245-P307 HydrophobicContact CG1-CG 4.12Å
246A96.2Very high97.3Very high1 Ų135.7 Ų35.71%0.00816%0.16CC..SBendtrans-76.6-26.9178.600000113.3P248 L288 Y291 F298 K303 A304A246-P248 VanDerWaalsContact C-CD 3.47Å; A246-L288 HydrophobicContact CB-CB 4.23Å; A246-L288 HydrophobicContact CB-CD1 3.96Å; A246-Y291 HydrophobicContact CB-CD2 4.4Å; A246-F298 HydrophobicContact CB-CZ 4.34Å; A246-K303 PolarHBondContact N-O 2.8Å; A246-A304 PolarHBondContact N-O 3.02Å
247C96.8Very high97.5Very high0 Ų032.3 Ų32.30%015%0.147CC..  trans-126.161.7-177.3-52.70000112N249 Y250 T251 A284 K287 A304C247-N249 PolarHBondContact O-N 3.06Å; C247-Y250 HydrophobicContact CB-CD2 3.55Å; C247-Y250 HydrophobicContact CB-CE2 4.12Å; C247-Y250 HydrophobicContact CB-CG 4.03Å; C247-Y250 WeakPolarHBondContact O-CB 3.46Å; C247-Y250 PolarHBondContact O-N 3.33Å; C247-T251 PolarHBondContact O-N 3.36Å; C247-T251 PolarHBondContact O-OG1 3.38Å; C247-A284 HydrophobicContact CB-CB 4Å; C247-K287 VanDerWaalsContact SG-CD 3.52Å; C247-A304 PolarHBondContact N-O 2.88Å
248P97.7Very high97.6Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-62.9-27.3-177.228.2-36.8000113.2C212 M241 F242 V245 A246 Y250 T251 Y252C212-P248 HydrophobicContact CB-CG 4.4Å; M241-P248 HydrophobicContact CB-CB 3.69Å; M241-P248 HydrophobicContact CG-CB 3.51Å; F242-P248 HydrophobicContact CD1-CG 3.27Å; F242-P248 HydrophobicContact CD2-CG 4.1Å; F242-P248 HydrophobicContact CE1-CG 3.14Å; F242-P248 HydrophobicContact CE2-CG 3.97Å; F242-P248 HydrophobicContact CG-CG 3.75Å; F242-P248 HydrophobicContact CZ-CG 3.5Å; F242-P248 VanDerWaalsContact CZ-CG 3.5Å; V245-P248 HydrophobicContact CG2-CB 3.84Å; A246-P248 VanDerWaalsContact C-CD 3.47Å; P248-Y250 PolarHBondContact O-N 2.77Å; P248-T251 WeakPolarHBondContact O-CB 3.34Å; P248-T251 PolarHBondContact O-N 3.44Å; P248-Y252 HydrophobicContact CB-CD2 4.46Å; P248-Y252 HydrophobicContact CB-CE2 4.37Å; P248-Y252 WeakPolarHBondContact O-CD2 3.37Å; P248-Y252 PolarHBondContact O-N 2.84Å
249N97.7Very high97.7Very high7 Ų727.2 Ų27.24%0.03713%0.129CC..Hα-helixtrans-58.5-39173.364-59.6000111.4N209 C212 H213 C247 E253N209-N249 PolarHBondContact ND2-O 3.06Å; C212-N249 HydrophobicContact CB-CB 3.73Å; H213-N249 PolarHBondContact NE2-ND2 2.83Å; C247-N249 PolarHBondContact O-N 3.06Å; N249-E253 WeakPolarHBondContact O-CB 3.37Å; N249-E253 PolarHBondContact O-N 3.23Å; N249-E253 VanDerWaalsContact O-N 3.08Å
250Y98.4Very high97.8Very high49 Ų4927.3 Ų27.319%0.19213%0.13CC..Hα-helixtrans-71.1-40.4174.9-60.3-17.3000111.6C247 P248 Y252 E253 I254 M280 W283 A284 I305C247-Y250 HydrophobicContact CB-CD2 3.55Å; C247-Y250 HydrophobicContact CB-CE2 4.12Å; C247-Y250 HydrophobicContact CB-CG 4.03Å; C247-Y250 WeakPolarHBondContact O-CB 3.46Å; C247-Y250 PolarHBondContact O-N 3.33Å; P248-Y250 PolarHBondContact O-N 2.77Å; Y250-Y252 VanDerWaalsContact C-N 3.32Å; Y250-Y252 PolarHBondContact O-N 2.86Å; Y250-E253 PolarHBondContact O-N 2.9Å; Y250-I254 WeakPolarHBondContact O-CD1 3.45Å; Y250-I254 WeakPolarHBondContact O-CG1 3.41Å; Y250-I254 PolarHBondContact O-N 2.91Å; Y250-M280 HydrophobicContact CD1-CG 4.43Å; Y250-M280 HydrophobicContact CD1-SD 4.02Å; Y250-M280 HydrophobicContact CD2-CB 4.11Å; Y250-M280 HydrophobicContact CD2-CG 4.39Å; Y250-M280 HydrophobicContact CG-CB 4.19Å; Y250-M280 HydrophobicContact CG-CG 4.17Å; Y250-M280 HydrophobicContact CG-SD 3.95Å; Y250-W283 HydrophobicContact CE2-CB 4.1Å; Y250-A284 HydrophobicContact CD2-CB 4.21Å; Y250-I305 HydrophobicContact CD2-CD1 4.44Å
251T98.4Very high97.9Very high11 Ų1120.4 Ų20.47%0.06711%0.107CC..Hα-helixtrans-54.2-49.2174-47.20000111.4C247 P248 E253 I254 I255 I305C247-T251 PolarHBondContact O-N 3.36Å; C247-T251 PolarHBondContact O-OG1 3.38Å; P248-T251 WeakPolarHBondContact O-CB 3.34Å; P248-T251 PolarHBondContact O-N 3.44Å; T251-E253 PolarHBondContact O-N 2.88Å; T251-I254 PolarHBondContact O-N 3.09Å; T251-I255 HydrophobicContact CG2-CD1 4.34Å; T251-I255 WeakPolarHBondContact O-CG1 3.49Å; T251-I255 PolarHBondContact O-N 2.91Å; T251-I305 WeakPolarHBondContact CB-O 3.38Å; T251-I305 WeakPolarHBondContact CG2-O 3.44Å; T251-I305 PolarHBondContact OG1-O 2.79Å
252Y98.7Very high97.9Very high13 Ų1321.6 Ų21.65%0.05111%0.113CC..Hα-helixtrans-67.9-33.2179.2-77.4-59.4000113.3G205 G208 F238 M241 P248 Y250 I255 S256G205-Y252 VanDerWaalsContact CA-O 3.23Å; G205-Y252 WeakPolarHBondContact CA-O 3.3Å; G205-Y252 WeakPolarHBondContact O-CB 3.48Å; G208-Y252 WeakPolarHBondContact O-CD2 3.31Å; F238-Y252 HydrophobicContact CB-CE2 4.22Å; F238-Y252 AromaticContact CD1-CE1 3.69Å; F238-Y252 HydrophobicContact CD1-CE1 3.69Å; F238-Y252 AromaticContact CD1-CZ 3.7Å; F238-Y252 HydrophobicContact CE1-CE1 4.33Å; F238-Y252 VanDerWaalsContact O-CE2 3.31Å; F238-Y252 WeakPolarHBondContact O-CE2 3.17Å; F238-Y252 PolarHBondContact O-OH 3.1Å; F238-Y252 VanDerWaalsContact O-OH 3.06Å; M241-Y252 HydrophobicContact CB-CE2 3.85Å; M241-Y252 HydrophobicContact CG-CE2 4.15Å; P248-Y252 HydrophobicContact CB-CD2 4.46Å; P248-Y252 HydrophobicContact CB-CE2 4.37Å; P248-Y252 WeakPolarHBondContact O-CD2 3.37Å; P248-Y252 PolarHBondContact O-N 2.84Å; Y250-Y252 VanDerWaalsContact C-N 3.32Å; Y250-Y252 PolarHBondContact O-N 2.86Å; Y252-I255 HydrophobicContact CD1-CD1 4.03Å; Y252-I255 HydrophobicContact CE1-CD1 4.4Å; Y252-I255 PolarHBondContact O-N 2.65Å; Y252-S256 PolarHBondContact O-N 3.09Å; Y252-S256 PolarHBondContact O-OG 3.14Å
253E98.6Very high98Very high10 Ų1021.5 Ų21.55%0.04711%0.113CC..Hα-helixtrans-65.1-41.3172.7-177.5165.4-17000111.8R142 N249 Y250 T251 I255 S256 W257 M280R142-E253 IonicContact CZ-OE1 2.65Å; R142-E253 IonicContact CZ-OE2 3.54Å; R142-E253 VanDerWaalsContact CZ-OE2 3.28Å; R142-E253 VanDerWaalsContact NH1-CD 3.29Å; R142-E253 IonicContact NH1-OE1 3.09Å; R142-E253 PolarHBondContact NH1-OE1 2.77Å; R142-E253 IonicContact NH1-OE2 2.96Å; R142-E253 PolarHBondContact NH1-OE2 2.67Å; R142-E253 IonicContact NH2-OE1 3.09Å; R142-E253 PolarHBondContact NH2-OE1 3.3Å; R142-E253 IonicContact NH2-OE2 3.64Å; R142-E253 PolarHBondContact NH2-OE2 2.75Å; N249-E253 WeakPolarHBondContact O-CB 3.37Å; N249-E253 PolarHBondContact O-N 3.23Å; N249-E253 VanDerWaalsContact O-N 3.08Å; Y250-E253 PolarHBondContact O-N 2.9Å; T251-E253 PolarHBondContact O-N 2.88Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 3.19Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.01Å; E253-S256 VanDerWaalsContact O-N 3.17Å; E253-W257 PolarHBondContact O-N 3.18Å; E253-M280 HydrophobicContact CB-SD 4.33Å; E253-M280 HydrophobicContact CG-CE 4.21Å; E253-M280 HydrophobicContact CG-SD 4.24Å
254I98.5Very high98.2Very high23 Ų2317.2 Ų17.212%0.1189%0.09CC..Hα-helixtrans-62.1-42.5173.2-64.1152.2000111Y250 T251 S256 W257 T258 F277 M280 I305Y250-I254 WeakPolarHBondContact O-CD1 3.45Å; Y250-I254 WeakPolarHBondContact O-CG1 3.41Å; Y250-I254 PolarHBondContact O-N 2.91Å; T251-I254 PolarHBondContact O-N 3.09Å; I254-S256 VanDerWaalsContact C-N 3.28Å; I254-S256 PolarHBondContact O-N 3.03Å; I254-W257 PolarHBondContact O-N 2.92Å; I254-T258 VanDerWaalsContact O-CB 3.3Å; I254-T258 WeakPolarHBondContact O-CB 3.35Å; I254-T258 PolarHBondContact O-N 3.39Å; I254-T258 PolarHBondContact O-OG1 2.91Å; I254-F277 HydrophobicContact CD1-CD2 3.46Å; I254-F277 VanDerWaalsContact CD1-CD2 3.46Å; I254-F277 HydrophobicContact CD1-CE2 4.08Å; I254-F277 HydrophobicContact CD1-CG 4.48Å; I254-F277 HydrophobicContact CG1-CB 4.44Å; I254-F277 HydrophobicContact CG1-CD2 4.03Å; I254-F277 HydrophobicContact CG2-CD2 4.06Å; I254-M280 HydrophobicContact CD1-CE 4.23Å; I254-M280 HydrophobicContact CG1-CE 3.52Å; I254-I305 HydrophobicContact CD1-CD1 3.39Å; I254-I305 HydrophobicContact CD1-CG1 3.79Å
255I98.6Very high98.2Very high50 Ų5017.5 Ų17.526%0.2569%0.09SC..Hα-helixtrans-59.4-42.7174.7-69.1166.6000110.2L201 T251 Y252 E253 T258 G259L201-I255 WeakPolarHBondContact O-CG2 3.49Å; T251-I255 HydrophobicContact CG2-CD1 4.34Å; T251-I255 WeakPolarHBondContact O-CG1 3.49Å; T251-I255 PolarHBondContact O-N 2.91Å; Y252-I255 HydrophobicContact CD1-CD1 4.03Å; Y252-I255 HydrophobicContact CE1-CD1 4.4Å; Y252-I255 PolarHBondContact O-N 2.65Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 3.19Å; I255-T258 PolarHBondContact O-N 3.36Å; I255-G259 PolarHBondContact O-N 3.46Å
256S98.8Very high98.2Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-57.5-55.5178.1-50.20000110.2F202 G205 E206 Y252 E253 I254 T258 G259 F260F202-S256 VanDerWaalsContact CD2-O 3.27Å; F202-S256 WeakPolarHBondContact CD2-O 3.42Å; G205-S256 WeakPolarHBondContact CA-OG 3.24Å; E206-S256 PolarHBondContact N-OG 2.85Å; E206-S256 VanDerWaalsContact N-OG 3.16Å; E206-S256 PolarHBondContact OE1-OG 3.38Å; Y252-S256 PolarHBondContact O-N 3.09Å; Y252-S256 PolarHBondContact O-OG 3.14Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.01Å; E253-S256 VanDerWaalsContact O-N 3.17Å; I254-S256 VanDerWaalsContact C-N 3.28Å; I254-S256 PolarHBondContact O-N 3.03Å; S256-T258 VanDerWaalsContact C-N 3.32Å; S256-T258 PolarHBondContact O-N 2.9Å; S256-G259 WeakPolarHBondContact O-CA 3.43Å; S256-G259 PolarHBondContact O-N 3.43Å; S256-G259 VanDerWaalsContact O-N 3.13Å; S256-F260 PolarHBondContact O-N 3.22Å
257W98.8Very high98.3Very high8 Ų823.7 Ų23.73%0.0312%0.122CC..Hα-helixtrans-70.1-27.6-177.5-62125.5000113.9W135 H138 Y139 F202 E253 I254 F260 A261 F272 T273W135-W257 HydrophobicContact CE3-CH2 4.05Å; W135-W257 AromaticContact CE3-CZ3 3.85Å; W135-W257 HydrophobicContact CE3-CZ3 3.85Å; W135-W257 HydrophobicContact CZ3-CH2 4.05Å; W135-W257 AromaticContact CZ3-CZ3 3.88Å; W135-W257 HydrophobicContact CZ3-CZ3 3.88Å; H138-W257 HydrophobicContact CB-CH2 4.38Å; H138-W257 AromaticContact CD2-CH2 3.79Å; H138-W257 AromaticContact CD2-CZ2 3.41Å; H138-W257 VanDerWaalsContact CD2-CZ2 3.41Å; H138-W257 WeakPolarHBondContact CD2-CZ2 3.07Å; H138-W257 AromaticContact CE1-CE2 3.93Å; H138-W257 AromaticContact CE1-CZ2 3.56Å; H138-W257 AromaticContact CG-CH2 3.92Å; H138-W257 AromaticContact CG-CZ2 3.72Å; H138-W257 AromaticContact ND1-CZ2 3.81Å; H138-W257 AromaticContact NE2-CZ2 3.34Å; H138-W257 VanDerWaalsContact NE2-CZ2 3.34Å; H138-W257 WeakPolarHBondContact NE2-CZ2 3.37Å; Y139-W257 HydrophobicContact CE2-CH2 4Å; Y139-W257 HydrophobicContact CE2-CZ2 4.47Å; F202-W257 HydrophobicContact CE2-CZ3 4.48Å; E253-W257 PolarHBondContact O-N 3.18Å; I254-W257 PolarHBondContact O-N 2.92Å; W257-F260 HydrophobicContact CE3-CB 4.06Å; W257-F260 HydrophobicContact CE3-CD1 4.48Å; W257-F260 HydrophobicContact CE3-CG 4.24Å; W257-F260 HydrophobicContact CZ3-CG 4.34Å; W257-F260 PolarHBondContact O-N 3.02Å; W257-A261 VanDerWaalsContact O-CB 3.31Å; W257-A261 WeakPolarHBondContact O-CB 3.45Å; W257-A261 PolarHBondContact O-N 2.95Å; W257-F272 HydrophobicContact CD2-CD1 4.17Å; W257-F272 AromaticContact CD2-CE1 3.49Å; W257-F272 HydrophobicContact CD2-CE1 3.49Å; W257-F272 VanDerWaalsContact CD2-CE1 3.49Å; W257-F272 HydrophobicContact CD2-CZ 4.5Å; W257-F272 AromaticContact CE2-CE1 3.49Å; W257-F272 VanDerWaalsContact CE2-CE1 3.49Å; W257-F272 HydrophobicContact CE3-CD1 4.26Å; W257-F272 AromaticContact CE3-CE1 3.79Å; W257-F272 HydrophobicContact CE3-CE1 3.79Å; W257-F272 HydrophobicContact CG-CD1 4.34Å; W257-F272 AromaticContact CG-CE1 3.88Å; W257-F272 HydrophobicContact CG-CE1 3.88Å; W257-F272 HydrophobicContact CH2-CE1 4.08Å; W257-F272 AromaticContact CZ2-CE1 3.77Å; W257-F272 HydrophobicContact CZ2-CE1 3.77Å; W257-F272 HydrophobicContact CZ2-CZ 4.13Å; W257-F272 HydrophobicContact CZ3-CE1 4.09Å; W257-F272 AromaticContact NE1-CE1 3.87Å; W257-T273 HydrophobicContact CB-CG2 4.17Å; W257-T273 WeakPolarHBondContact CB-OG1 3.38Å; W257-T273 PolarHBondContact O-OG1 3.37Å; W257-T273 VanDerWaalsContact O-OG1 3.11Å
258T98.7Very high98.4Very high57 Ų5723.8 Ų23.835%0.3512%0.123SC..Hα-helixtrans-65.1-46169.1-56.50000110.6I254 I255 S256 F260 A261 I262I254-T258 VanDerWaalsContact O-CB 3.3Å; I254-T258 WeakPolarHBondContact O-CB 3.35Å; I254-T258 PolarHBondContact O-N 3.39Å; I254-T258 PolarHBondContact O-OG1 2.91Å; I255-T258 PolarHBondContact O-N 3.36Å; S256-T258 VanDerWaalsContact C-N 3.32Å; S256-T258 PolarHBondContact O-N 2.9Å; T258-F260 PolarHBondContact O-N 3.48Å; T258-A261 PolarHBondContact O-N 3.09Å; T258-I262 HydrophobicContact CG2-CD1 4.06Å; T258-I262 VanDerWaalsContact O-CG1 3.32Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.14Å
259G98.8Very high98.4Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-59.2-44.2173.300000112.4G198 I255 S256 A261 I262 M263G198-G259 CarbonylContact C-O 3.55Å; G198-G259 VanDerWaalsContact CA-O 3.22Å; G198-G259 WeakPolarHBondContact CA-O 3.33Å; G198-G259 CarbonylContact O-C 3.52Å; G198-G259 VanDerWaalsContact O-C 3.29Å; G198-G259 VanDerWaalsContact O-CA 3.27Å; G198-G259 WeakPolarHBondContact O-CA 3.36Å; I255-G259 PolarHBondContact O-N 3.46Å; S256-G259 WeakPolarHBondContact O-CA 3.43Å; S256-G259 PolarHBondContact O-N 3.43Å; S256-G259 VanDerWaalsContact O-N 3.13Å; G259-A261 PolarHBondContact O-N 3.35Å; G259-I262 PolarHBondContact O-N 3.19Å; G259-M263 VanDerWaalsContact O-CB 3.27Å; G259-M263 WeakPolarHBondContact O-CB 3.42Å; G259-M263 PolarHBondContact O-N 3.47Å
260F98.8Very high98.4Very high2 Ų227.8 Ų27.81%0.00914%0.144CC..Hα-helixtrans-62.2-41175.8-164.8-93.5000112.6A131 C134 W135 I176 F202 S256 W257 T258 M263 T264 T269A131-F260 HydrophobicContact CB-CE2 4.25Å; A131-F260 HydrophobicContact CB-CZ 4.1Å; A131-F260 WeakPolarHBondContact O-CE2 3.35Å; C134-F260 HydrophobicContact CB-CD2 4.02Å; C134-F260 HydrophobicContact CB-CE2 3.9Å; W135-F260 HydrophobicContact CB-CE2 4.37Å; W135-F260 HydrophobicContact CB-CZ 4.38Å; W135-F260 HydrophobicContact CE3-CE1 4.22Å; W135-F260 HydrophobicContact CE3-CZ 4.09Å; I176-F260 HydrophobicContact CG2-CE1 4.11Å; F202-F260 HydrophobicContact CD2-CB 3.89Å; F202-F260 HydrophobicContact CD2-CD2 4.11Å; F202-F260 HydrophobicContact CD2-CG 4.49Å; F202-F260 HydrophobicContact CE2-CB 4.29Å; F202-F260 HydrophobicContact CE2-CD2 4.03Å; S256-F260 PolarHBondContact O-N 3.22Å; W257-F260 HydrophobicContact CE3-CB 4.06Å; W257-F260 HydrophobicContact CE3-CD1 4.48Å; W257-F260 HydrophobicContact CE3-CG 4.24Å; W257-F260 HydrophobicContact CZ3-CG 4.34Å; W257-F260 PolarHBondContact O-N 3.02Å; T258-F260 PolarHBondContact O-N 3.48Å; F260-M263 HydrophobicContact CD2-CE 3.6Å; F260-M263 HydrophobicContact CE2-CE 3.74Å; F260-M263 HydrophobicContact CG-CE 4.38Å; F260-M263 PolarHBondContact O-N 3.36Å; F260-T264 HydrophobicContact CD1-CG2 4.11Å; F260-T264 HydrophobicContact CE1-CG2 3.75Å; F260-T264 HydrophobicContact CE2-CG2 4.33Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 WeakPolarHBondContact O-CB 3.42Å; F260-T264 WeakPolarHBondContact O-CG2 3.43Å; F260-T264 PolarHBondContact O-N 2.59Å; F260-T264 PolarHBondContact O-OG1 2.68Å; F260-T269 HydrophobicContact CD1-CG2 3.63Å; F260-T269 HydrophobicContact CE1-CG2 3.6Å
261A98.6Very high98.4Very high15 Ų1528.2 Ų28.212%0.12415%0.149CC..Hα-helixtrans-67.3-39.3177.200000112.1W257 T258 G259 Q265 T269W257-A261 VanDerWaalsContact O-CB 3.31Å; W257-A261 WeakPolarHBondContact O-CB 3.45Å; W257-A261 PolarHBondContact O-N 2.95Å; T258-A261 PolarHBondContact O-N 3.09Å; G259-A261 PolarHBondContact O-N 3.35Å; A261-Q265 VanDerWaalsContact O-CA 3.25Å; A261-Q265 WeakPolarHBondContact O-CA 3.27Å; A261-Q265 PolarHBondContact O-N 3.41Å; A261-T269 WeakPolarHBondContact CA-OG1 3.44Å
262I98.5Very high98.4Very high58 Ų5828.1 Ų28.130%0.29715%0.148SC..Hα-helixtrans-64-46.2172.9-69.3166.7000110.4Q194 L201 T258 G259Q194-I262 HydrophobicContact CG-CG2 3.79Å; Q194-I262 WeakPolarHBondContact CG-O 3.49Å; Q194-I262 PolarHBondContact NE2-O 3.06Å; L201-I262 HydrophobicContact CD1-CD1 3.82Å; T258-I262 HydrophobicContact CG2-CD1 4.06Å; T258-I262 VanDerWaalsContact O-CG1 3.32Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.14Å; G259-I262 PolarHBondContact O-N 3.19Å
263M98.4Very high98.4Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-62.5-44.2-178.2-177.5-178.97000112.2L127 V130 A131 C134 P188 I195 F199 G259 F260L127-M263 HydrophobicContact CD1-CG 3.94Å; V130-M263 HydrophobicContact CG1-CE 4.43Å; V130-M263 HydrophobicContact CG1-SD 3.77Å; A131-M263 HydrophobicContact CB-CE 4.27Å; C134-M263 HydrophobicContact CB-CE 4.26Å; P188-M263 WeakPolarHBondContact CG-O 3.35Å; I195-M263 HydrophobicContact CG2-CG 4.13Å; F199-M263 HydrophobicContact CB-SD 4.03Å; F199-M263 HydrophobicContact CD2-SD 4.37Å; G259-M263 VanDerWaalsContact O-CB 3.27Å; G259-M263 WeakPolarHBondContact O-CB 3.42Å; G259-M263 PolarHBondContact O-N 3.47Å; F260-M263 HydrophobicContact CD2-CE 3.6Å; F260-M263 HydrophobicContact CE2-CE 3.74Å; F260-M263 HydrophobicContact CG-CE 4.38Å; F260-M263 PolarHBondContact O-N 3.36Å
264T97.9Very high98.4Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-95.3-20.8-174.760.40000113.7A131 T180 Y185 F260 T266 T269A131-T264 HydrophobicContact CB-CG2 3.86Å; T180-T264 HydrophobicContact CG2-CG2 4.14Å; Y185-T264 VanDerWaalsContact CE2-O 3.31Å; Y185-T264 WeakPolarHBondContact CE2-O 3.32Å; Y185-T264 PolarHBondContact OH-O 3.19Å; F260-T264 HydrophobicContact CD1-CG2 4.11Å; F260-T264 HydrophobicContact CE1-CG2 3.75Å; F260-T264 HydrophobicContact CE2-CG2 4.33Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 WeakPolarHBondContact O-CB 3.42Å; F260-T264 WeakPolarHBondContact O-CG2 3.43Å; F260-T264 PolarHBondContact O-N 2.59Å; F260-T264 PolarHBondContact O-OG1 2.68Å; T264-T266 VanDerWaalsContact C-N 3.31Å; T264-T266 WeakPolarHBondContact O-CG2 3.37Å; T264-T266 PolarHBondContact O-N 3.08Å; T264-T269 PolarHBondContact OG1-OG1 2.91Å
265Q98.1Very high98.4Very high64 Ų6433.1 Ų33.130%0.29918%0.179SC..  trans47.448.9-179.9-160.7-175-85.800113.5P188 T189 A261P188-Q265 HydrophobicContact CB-CB 4.3Å; P188-Q265 HydrophobicContact CG-CB 4.28Å; T189-Q265 PolarHBondContact OG1-OE1 3.34Å; A261-Q265 VanDerWaalsContact O-CA 3.25Å; A261-Q265 WeakPolarHBondContact O-CA 3.27Å; A261-Q265 PolarHBondContact O-N 3.41Å
266T97.5Very high98.3Very high13 Ų1331.2 Ų31.28%0.0817%0.172CC..  trans-113.6140.2175.171.60000111.5Y185 T264 P268 T269 L270Y185-T266 HydrophobicContact CD2-CG2 4.06Å; Y185-T266 HydrophobicContact CE2-CG2 3.6Å; T264-T266 VanDerWaalsContact C-N 3.31Å; T264-T266 WeakPolarHBondContact O-CG2 3.37Å; T264-T266 PolarHBondContact O-N 3.08Å; T266-P268 VanDerWaalsContact C-CD 3.49Å; T266-P268 VanDerWaalsContact C-N 3.33Å; T266-T269 PolarHBondContact O-N 3.44Å; T266-T269 VanDerWaalsContact O-N 3.14Å; T266-T269 PolarHBondContact O-OG1 2.96Å; T266-T269 WeakPolarHBondContact OG1-CG2 3.44Å; T266-T269 PolarHBondContact OG1-N 3.01Å; T266-T269 PolarHBondContact OG1-OG1 3.2Å; T266-L270 PolarHBondContact O-N 3.23Å
267L97.7Very high98.3Very high117 Ų11734.5 Ų34.561%0.61319%0.186SC*.Hα-helixtrans-54.6-42.7175.6179.363.2000112.8T269 L270 I271L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 2.99Å; L267-L270 PolarHBondContact O-N 3Å; L267-I271 HydrophobicContact CD1-CD1 4.04Å; L267-I271 HydrophobicContact CD1-CG1 4.12Å; L267-I271 HydrophobicContact CD2-CD1 4.42Å; L267-I271 HydrophobicContact CG-CD1 3.81Å; L267-I271 HydrophobicContact CG-CG1 4.33Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 2.93Å
268P98.3Very high98.3Very high3 Ų342.9 Ų42.92%0.01922%0.218CC..Hα-helixtrans-57.5-40.9175.6-29.739.5000114.2F175 I176 F179 T266 I271 F272F175-P268 HydrophobicContact CB-CB 4.48Å; F175-P268 HydrophobicContact CD1-CB 3.62Å; F175-P268 HydrophobicContact CD1-CG 4.03Å; F175-P268 HydrophobicContact CD2-CB 4.04Å; F175-P268 HydrophobicContact CD2-CG 3.68Å; F175-P268 HydrophobicContact CE1-CB 3.78Å; F175-P268 HydrophobicContact CE1-CG 3.86Å; F175-P268 HydrophobicContact CE2-CB 4.19Å; F175-P268 HydrophobicContact CE2-CG 3.51Å; F175-P268 HydrophobicContact CG-CB 3.75Å; F175-P268 HydrophobicContact CG-CG 3.95Å; F175-P268 HydrophobicContact CZ-CB 4.07Å; F175-P268 HydrophobicContact CZ-CG 3.6Å; I176-P268 HydrophobicContact CB-CB 4.5Å; I176-P268 HydrophobicContact CG1-CB 3.75Å; F179-P268 HydrophobicContact CB-CG 3.87Å; F179-P268 HydrophobicContact CD2-CG 3.74Å; F179-P268 HydrophobicContact CG-CG 3.84Å; T266-P268 VanDerWaalsContact C-CD 3.49Å; T266-P268 VanDerWaalsContact C-N 3.33Å; P268-I271 PolarHBondContact O-N 3.27Å; P268-F272 WeakPolarHBondContact O-CB 3.48Å; P268-F272 PolarHBondContact O-N 3.44Å
269T98.3Very high98.2Very high2 Ų244.2 Ų44.21%0.01222%0.22CC..Hα-helixtrans-66.7-37.9178550000112.2I176 F260 A261 T264 T266 L267 F272 T273I176-T269 HydrophobicContact CB-CG2 4.33Å; I176-T269 HydrophobicContact CD1-CG2 4.05Å; I176-T269 HydrophobicContact CG1-CG2 3.92Å; I176-T269 HydrophobicContact CG2-CG2 3.47Å; I176-T269 VanDerWaalsContact CG2-CG2 3.47Å; F260-T269 HydrophobicContact CD1-CG2 3.63Å; F260-T269 HydrophobicContact CE1-CG2 3.6Å; A261-T269 WeakPolarHBondContact CA-OG1 3.44Å; T264-T269 PolarHBondContact OG1-OG1 2.91Å; T266-T269 PolarHBondContact O-N 3.44Å; T266-T269 VanDerWaalsContact O-N 3.14Å; T266-T269 PolarHBondContact O-OG1 2.96Å; T266-T269 WeakPolarHBondContact OG1-CG2 3.44Å; T266-T269 PolarHBondContact OG1-N 3.01Å; T266-T269 PolarHBondContact OG1-OG1 3.2Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 2.99Å; T269-F272 PolarHBondContact O-N 2.95Å; T269-T273 PolarHBondContact O-N 3.38Å; T269-T273 PolarHBondContact O-OG1 3Å
270L98.3Very high98.2Very high88 Ų8844.9 Ų44.946%0.46122%0.223SC..Hα-helixtrans-64.6-46.3174.8179.661.3000111.4T266 L267 F272 T273 I274T266-L270 PolarHBondContact O-N 3.23Å; L267-L270 PolarHBondContact O-N 3Å; L270-F272 PolarHBondContact O-N 2.99Å; L270-T273 PolarHBondContact O-N 3.28Å; L270-I274 HydrophobicContact CD1-CD1 3.99Å; L270-I274 HydrophobicContact CD1-CG1 4.37Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 3.18Å
271I98.5Very high98.2Very high59 Ų5945.2 Ų45.230%0.30323%0.226SC..Hα-helixtrans-60.6-46.2177.9-65.9169.8000110.4F172 F175 L267 P268 T273 I274 C275F172-I271 HydrophobicContact CE1-CB 4.3Å; F172-I271 HydrophobicContact CE1-CG2 3.78Å; F172-I271 HydrophobicContact CZ-CG2 3.87Å; F175-I271 HydrophobicContact CE1-CD1 4.25Å; L267-I271 HydrophobicContact CD1-CD1 4.04Å; L267-I271 HydrophobicContact CD1-CG1 4.12Å; L267-I271 HydrophobicContact CD2-CD1 4.42Å; L267-I271 HydrophobicContact CG-CD1 3.81Å; L267-I271 HydrophobicContact CG-CG1 4.33Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 2.93Å; P268-I271 PolarHBondContact O-N 3.27Å; I271-T273 VanDerWaalsContact C-N 3.34Å; I271-T273 PolarHBondContact O-N 3.13Å; I271-I274 PolarHBondContact O-N 3.41Å; I271-C275 WeakPolarHBondContact O-CB 3.27Å; I271-C275 PolarHBondContact O-N 3.3Å; I271-C275 PolarHBondContact O-SG 3.41Å; I271-C275 VanDerWaalsContact O-SG 3.37Å
272F98.5Very high98.1Very high8 Ų848.4 Ų48.44%0.03524%0.244CC..Hα-helixtrans-56.7-47.6177.3175.8-113.5000111.9Y168 F172 I176 W257 P268 T269 L270 I274 C275 G276Y168-F272 HydrophobicContact CE1-CD2 4.38Å; Y168-F272 AromaticContact CE1-CE2 3.81Å; Y168-F272 HydrophobicContact CE1-CE2 3.81Å; Y168-F272 AromaticContact CZ-CE2 3.88Å; F172-F272 HydrophobicContact CB-CD2 3.63Å; F172-F272 HydrophobicContact CB-CE2 4.12Å; F172-F272 HydrophobicContact CB-CG 4.37Å; F172-F272 HydrophobicContact CD1-CB 3.62Å; F172-F272 AromaticContact CD1-CD2 3.9Å; F172-F272 HydrophobicContact CD1-CD2 3.9Å; F172-F272 HydrophobicContact CD1-CG 4.18Å; F172-F272 AromaticContact CD2-CD2 3.74Å; F172-F272 HydrophobicContact CD2-CD2 3.74Å; F172-F272 HydrophobicContact CD2-CE2 4.42Å; F172-F272 HydrophobicContact CE1-CB 3.86Å; F172-F272 HydrophobicContact CE2-CD2 4.39Å; F172-F272 HydrophobicContact CG-CB 4.13Å; F172-F272 AromaticContact CG-CD2 3.47Å; F172-F272 HydrophobicContact CG-CD2 3.47Å; F172-F272 VanDerWaalsContact CG-CD2 3.47Å; F172-F272 HydrophobicContact CG-CE2 4.31Å; F172-F272 HydrophobicContact CG-CG 4.19Å; I176-F272 HydrophobicContact CD1-CB 3.78Å; I176-F272 HydrophobicContact CD1-CD1 4.03Å; I176-F272 HydrophobicContact CD1-CG 3.91Å; W257-F272 HydrophobicContact CD2-CD1 4.17Å; W257-F272 AromaticContact CD2-CE1 3.49Å; W257-F272 HydrophobicContact CD2-CE1 3.49Å; W257-F272 VanDerWaalsContact CD2-CE1 3.49Å; W257-F272 HydrophobicContact CD2-CZ 4.5Å; W257-F272 AromaticContact CE2-CE1 3.49Å; W257-F272 VanDerWaalsContact CE2-CE1 3.49Å; W257-F272 HydrophobicContact CE3-CD1 4.26Å; W257-F272 AromaticContact CE3-CE1 3.79Å; W257-F272 HydrophobicContact CE3-CE1 3.79Å; W257-F272 HydrophobicContact CG-CD1 4.34Å; W257-F272 AromaticContact CG-CE1 3.88Å; W257-F272 HydrophobicContact CG-CE1 3.88Å; W257-F272 HydrophobicContact CH2-CE1 4.08Å; W257-F272 AromaticContact CZ2-CE1 3.77Å; W257-F272 HydrophobicContact CZ2-CE1 3.77Å; W257-F272 HydrophobicContact CZ2-CZ 4.13Å; W257-F272 HydrophobicContact CZ3-CE1 4.09Å; W257-F272 AromaticContact NE1-CE1 3.87Å; P268-F272 WeakPolarHBondContact O-CB 3.48Å; P268-F272 PolarHBondContact O-N 3.44Å; T269-F272 PolarHBondContact O-N 2.95Å; L270-F272 PolarHBondContact O-N 2.99Å; F272-I274 PolarHBondContact O-N 2.91Å; F272-C275 PolarHBondContact O-N 3.29Å; F272-G276 PolarHBondContact O-N 3.31Å
273T98.5Very high98Very high13 Ų1350.8 Ų50.88%0.0825%0.249CC..Hα-helixtrans-60.2-44.9177.3-60.10000111.9W257 T269 L270 I271 F277W257-T273 HydrophobicContact CB-CG2 4.17Å; W257-T273 WeakPolarHBondContact CB-OG1 3.38Å; W257-T273 PolarHBondContact O-OG1 3.37Å; W257-T273 VanDerWaalsContact O-OG1 3.11Å; T269-T273 PolarHBondContact O-N 3.38Å; T269-T273 PolarHBondContact O-OG1 3Å; L270-T273 PolarHBondContact O-N 3.28Å; I271-T273 VanDerWaalsContact C-N 3.34Å; I271-T273 PolarHBondContact O-N 3.13Å; T273-F277 VanDerWaalsContact O-CB 3.26Å; T273-F277 WeakPolarHBondContact O-CB 3.46Å; T273-F277 PolarHBondContact O-N 3.16Å
274I98.5Very high98Very high89 Ų8950.8 Ų50.846%0.45625%0.249SC..Hα-helixtrans-66.2-46.3179.1-67.9168.4000111.2L270 I271 F272 F277 R278L270-I274 HydrophobicContact CD1-CD1 3.99Å; L270-I274 HydrophobicContact CD1-CG1 4.37Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 3.18Å; I271-I274 PolarHBondContact O-N 3.41Å; F272-I274 PolarHBondContact O-N 2.91Å; I274-F277 WeakPolarHBondContact O-CB 3.33Å; I274-F277 PolarHBondContact O-N 2.9Å; I274-R278 WeakPolarHBondContact O-CG 3.46Å; I274-R278 PolarHBondContact O-N 2.84Å
275C98.1Very high98Very high49 Ų4953.4 Ų53.433%0.33126%0.263SS..Hα-helixtrans-62.3-45.5177.9-72.30000111.3Y168 F172 I271 F272 R278 Q279Y168-C275 HydrophobicContact CE2-CB 4.07Å; F172-C275 HydrophobicContact CZ-CB 4.38Å; I271-C275 WeakPolarHBondContact O-CB 3.27Å; I271-C275 PolarHBondContact O-N 3.3Å; I271-C275 PolarHBondContact O-SG 3.41Å; I271-C275 VanDerWaalsContact O-SG 3.37Å; F272-C275 PolarHBondContact O-N 3.29Å; C275-R278 PolarHBondContact O-N 3.21Å; C275-Q279 PolarHBondContact O-N 3.23Å
276G97.6Very high97.9Very high10 Ų1053.8 Ų53.810%0.10327%0.272CS..Hα-helixtrans-61.7-43.7176.700000111.9Y168 F272 Q279 M280Y168-G276 WeakPolarHBondContact OH-CA 3.43Å; Y168-G276 PolarHBondContact OH-N 2.86Å; F272-G276 PolarHBondContact O-N 3.31Å; G276-Q279 PolarHBondContact O-N 2.91Å; G276-M280 WeakPolarHBondContact O-CB 3.38Å; G276-M280 WeakPolarHBondContact O-CE 3.42Å; G276-M280 WeakPolarHBondContact O-CG 3.29Å; G276-M280 PolarHBondContact O-N 2.97Å
277F98.4Very high97.7Very high70 Ų7055.3 Ų55.331%0.30728%0.278SS..Hα-helixtrans-55.1-54.5173.6174.6-101.8000111.3I254 T273 I274 Q279 M280 S281 V306 L310I254-F277 HydrophobicContact CD1-CD2 3.46Å; I254-F277 VanDerWaalsContact CD1-CD2 3.46Å; I254-F277 HydrophobicContact CD1-CE2 4.08Å; I254-F277 HydrophobicContact CD1-CG 4.48Å; I254-F277 HydrophobicContact CG1-CB 4.44Å; I254-F277 HydrophobicContact CG1-CD2 4.03Å; I254-F277 HydrophobicContact CG2-CD2 4.06Å; T273-F277 VanDerWaalsContact O-CB 3.26Å; T273-F277 WeakPolarHBondContact O-CB 3.46Å; T273-F277 PolarHBondContact O-N 3.16Å; I274-F277 WeakPolarHBondContact O-CB 3.33Å; I274-F277 PolarHBondContact O-N 2.9Å; F277-Q279 VanDerWaalsContact C-N 3.32Å; F277-Q279 PolarHBondContact O-N 3.32Å; F277-M280 PolarHBondContact O-N 3.28Å; F277-S281 WeakPolarHBondContact O-CB 3.25Å; F277-S281 PolarHBondContact O-N 3.05Å; F277-S281 PolarHBondContact O-OG 3.08Å; F277-V306 HydrophobicContact CE2-CG2 3.73Å; F277-V306 HydrophobicContact CZ-CG2 3.98Å; F277-L310 HydrophobicContact CZ-CD2 4.29Å
278R98Very high97.6Very high183 Ų18350.3 Ų50.369%0.69125%0.251SS*.Hα-helixtrans-57.3-45.5-178.9-69.1179.584.6-174.76.7111.7I274 C275 S281 V282I274-R278 WeakPolarHBondContact O-CG 3.46Å; I274-R278 PolarHBondContact O-N 2.84Å; C275-R278 PolarHBondContact O-N 3.21Å; R278-S281 PolarHBondContact O-N 2.91Å; R278-V282 WeakPolarHBondContact O-CG2 3.39Å; R278-V282 PolarHBondContact O-N 2.67Å
279Q97.3Very high97.5Very high85 Ų8555.9 Ų55.940%0.39728%0.275SS..Hα-helixtrans-65.7-46.7-179.8-173.857.741.200112.1C275 G276 F277 S281 V282 W283C275-Q279 PolarHBondContact O-N 3.23Å; G276-Q279 PolarHBondContact O-N 2.91Å; F277-Q279 VanDerWaalsContact C-N 3.32Å; F277-Q279 PolarHBondContact O-N 3.32Å; Q279-S281 VanDerWaalsContact C-N 3.31Å; Q279-S281 PolarHBondContact O-N 2.85Å; Q279-V282 PolarHBondContact O-N 3.23Å; Q279-W283 HydrophobicContact CG-CD2 4.31Å; Q279-W283 HydrophobicContact CG-CE3 4.32Å; Q279-W283 HydrophobicContact CG-CH2 3.7Å; Q279-W283 HydrophobicContact CG-CZ2 3.68Å; Q279-W283 HydrophobicContact CG-CZ3 4.03Å; Q279-W283 VanDerWaalsContact NE2-CZ2 3.27Å; Q279-W283 PolarHBondContact O-N 3.09Å
280M98.1Very high97.2Very high14 Ų1457.3 Ų57.37%0.06929%0.287CS..Hα-helixtrans-64.9-34.3177.9-74.4-172.9-81.300112.2Y250 E253 I254 G276 F277 W283 A284 I305Y250-M280 HydrophobicContact CD1-CG 4.43Å; Y250-M280 HydrophobicContact CD1-SD 4.02Å; Y250-M280 HydrophobicContact CD2-CB 4.11Å; Y250-M280 HydrophobicContact CD2-CG 4.39Å; Y250-M280 HydrophobicContact CG-CB 4.19Å; Y250-M280 HydrophobicContact CG-CG 4.17Å; Y250-M280 HydrophobicContact CG-SD 3.95Å; E253-M280 HydrophobicContact CB-SD 4.33Å; E253-M280 HydrophobicContact CG-CE 4.21Å; E253-M280 HydrophobicContact CG-SD 4.24Å; I254-M280 HydrophobicContact CD1-CE 4.23Å; I254-M280 HydrophobicContact CG1-CE 3.52Å; G276-M280 WeakPolarHBondContact O-CB 3.38Å; G276-M280 WeakPolarHBondContact O-CE 3.42Å; G276-M280 WeakPolarHBondContact O-CG 3.29Å; G276-M280 PolarHBondContact O-N 2.97Å; F277-M280 PolarHBondContact O-N 3.28Å; M280-W283 HydrophobicContact CG-CE3 4.33Å; M280-W283 HydrophobicContact CG-CZ3 4.49Å; M280-W283 PolarHBondContact O-N 2.87Å; M280-A284 WeakPolarHBondContact O-CB 3.36Å; M280-A284 PolarHBondContact O-N 3.26Å; M280-I305 HydrophobicContact CB-CD1 3.7Å
281S98.4Very high97Very high9 Ų953.5 Ų53.56%0.06327%0.267CS..Hα-helixtrans-61.2-44.9173.8-65.70000111.9F277 R278 Q279 W283 A284 I285F277-S281 WeakPolarHBondContact O-CB 3.25Å; F277-S281 PolarHBondContact O-N 3.05Å; F277-S281 PolarHBondContact O-OG 3.08Å; R278-S281 PolarHBondContact O-N 2.91Å; Q279-S281 VanDerWaalsContact C-N 3.31Å; Q279-S281 PolarHBondContact O-N 2.85Å; S281-W283 VanDerWaalsContact C-N 3.35Å; S281-W283 PolarHBondContact O-N 3.25Å; S281-A284 PolarHBondContact O-N 3.22Å; S281-I285 WeakPolarHBondContact O-CB 3.28Å; S281-I285 WeakPolarHBondContact O-CD1 3.33Å; S281-I285 WeakPolarHBondContact O-CG1 3.32Å; S281-I285 PolarHBondContact O-N 2.87Å
282V98Very high96.8Very high83 Ų8356.7 Ų56.750%0.50328%0.275SS..Hα-helixtrans-58.3-48.9176.31730000110.4R278 Q279 A284 I285 S286R278-V282 WeakPolarHBondContact O-CG2 3.39Å; R278-V282 PolarHBondContact O-N 2.67Å; Q279-V282 PolarHBondContact O-N 3.23Å; V282-A284 PolarHBondContact O-N 2.93Å; V282-I285 PolarHBondContact O-N 2.94Å; V282-S286 PolarHBondContact O-N 3.41Å; V282-S286 VanDerWaalsContact O-N 3.1Å; V282-S286 PolarHBondContact O-OG 3.22Å
283W96.6Very high96.5Very high108 Ų10866.1 Ų66.141%0.40931%0.31SS..Hα-helixtrans-63.1-41.6177.7-66.8-25.1000112.9Y250 Q279 M280 S281 S286 K287Y250-W283 HydrophobicContact CE2-CB 4.1Å; Q279-W283 HydrophobicContact CG-CD2 4.31Å; Q279-W283 HydrophobicContact CG-CE3 4.32Å; Q279-W283 HydrophobicContact CG-CH2 3.7Å; Q279-W283 HydrophobicContact CG-CZ2 3.68Å; Q279-W283 HydrophobicContact CG-CZ3 4.03Å; Q279-W283 VanDerWaalsContact NE2-CZ2 3.27Å; Q279-W283 PolarHBondContact O-N 3.09Å; M280-W283 HydrophobicContact CG-CE3 4.33Å; M280-W283 HydrophobicContact CG-CZ3 4.49Å; M280-W283 PolarHBondContact O-N 2.87Å; S281-W283 VanDerWaalsContact C-N 3.35Å; S281-W283 PolarHBondContact O-N 3.25Å; W283-S286 PolarHBondContact O-N 3.33Å; W283-K287 WeakPolarHBondContact O-CB 3.24Å; W283-K287 PolarHBondContact O-N 2.64Å
284A97.8Very high96.1Very high0 Ų070.3 Ų70.30%033%0.329CS..Hα-helixtrans-64.3-42.5-18000000112C247 Y250 M280 S281 V282 K287 L288 A304 I305C247-A284 HydrophobicContact CB-CB 4Å; Y250-A284 HydrophobicContact CD2-CB 4.21Å; M280-A284 WeakPolarHBondContact O-CB 3.36Å; M280-A284 PolarHBondContact O-N 3.26Å; S281-A284 PolarHBondContact O-N 3.22Å; V282-A284 PolarHBondContact O-N 2.93Å; A284-K287 PolarHBondContact O-N 2.78Å; A284-L288 WeakPolarHBondContact O-CB 3.19Å; A284-L288 PolarHBondContact O-N 3.33Å; A284-A304 HydrophobicContact CB-CB 3.87Å; A284-I305 HydrophobicContact CB-CB 3.82Å; A284-I305 HydrophobicContact CB-CD1 4.29Å; A284-I305 HydrophobicContact CB-CG1 4.47Å; A284-I305 HydrophobicContact CB-CG2 4.45Å
285I98Very high95.8Very high55 Ų5568 Ų6828%0.28232%0.315SS..Hα-helixtrans-62.4-45.9176.4-68.1162.3000110.2S281 V282 K287 L288 K289 A304 L310S281-I285 WeakPolarHBondContact O-CB 3.28Å; S281-I285 WeakPolarHBondContact O-CD1 3.33Å; S281-I285 WeakPolarHBondContact O-CG1 3.32Å; S281-I285 PolarHBondContact O-N 2.87Å; V282-I285 PolarHBondContact O-N 2.94Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 2.87Å; I285-L288 PolarHBondContact O-N 2.75Å; I285-K289 HydrophobicContact CG2-CD 4.25Å; I285-K289 WeakPolarHBondContact O-CG 3.41Å; I285-K289 PolarHBondContact O-N 3.1Å; I285-A304 HydrophobicContact CG1-CB 3.94Å; I285-L310 HydrophobicContact CD1-CD1 4.1Å; I285-L310 HydrophobicContact CG1-CD1 4.41Å
286S95.8Very high95.5Very high71 Ų7171.8 Ų71.850%0.49734%0.343SS..Hα-helixtrans-60.8-41.2175.7-66.90000111.9V282 W283 K289 A290V282-S286 PolarHBondContact O-N 3.41Å; V282-S286 VanDerWaalsContact O-N 3.1Å; V282-S286 PolarHBondContact O-OG 3.22Å; W283-S286 PolarHBondContact O-N 3.33Å; S286-K289 PolarHBondContact O-N 2.96Å; S286-A290 PolarHBondContact O-N 2.88Å
287K93.8Very high95.2Very high46 Ų4676.4 Ų76.420%0.237%0.365CS..Hα-helixtrans-66.7-42178.5-161.6-178.6-168.4179.20112R227 C247 W283 A284 I285 A290 Y291R227-K287 PolarHBondContact NH2-O 3.2Å; R227-K287 VanDerWaalsContact NH2-O 3.16Å; C247-K287 VanDerWaalsContact SG-CD 3.52Å; W283-K287 WeakPolarHBondContact O-CB 3.24Å; W283-K287 PolarHBondContact O-N 2.64Å; A284-K287 PolarHBondContact O-N 2.78Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 2.87Å; K287-A290 WeakPolarHBondContact O-CB 3.3Å; K287-A290 PolarHBondContact O-N 2.8Å; K287-Y291 HydrophobicContact CD-CE2 4Å; K287-Y291 HydrophobicContact CG-CD2 4.12Å; K287-Y291 HydrophobicContact CG-CE2 3.72Å; K287-Y291 VanDerWaalsContact O-CD2 3.24Å; K287-Y291 WeakPolarHBondContact O-CD2 3.48Å; K287-Y291 PolarHBondContact O-N 2.83Å
288L95.8Very high95Very high12 Ų1273.7 Ų73.76%0.06335%0.353CS..Hα-helixtrans-61.5-46.2174.9176.764.5000111.4A246 A284 I285 A290 Y291 R292 F298 A304A246-L288 HydrophobicContact CB-CB 4.23Å; A246-L288 HydrophobicContact CB-CD1 3.96Å; A284-L288 WeakPolarHBondContact O-CB 3.19Å; A284-L288 PolarHBondContact O-N 3.33Å; I285-L288 PolarHBondContact O-N 2.75Å; L288-A290 VanDerWaalsContact C-N 3.3Å; L288-A290 PolarHBondContact O-N 3.15Å; L288-Y291 PolarHBondContact O-N 2.84Å; L288-R292 HydrophobicContact CD1-CG 4.48Å; L288-R292 PolarHBondContact O-N 2.79Å; L288-F298 HydrophobicContact CD1-CD1 4.45Å; L288-F298 HydrophobicContact CD1-CE1 3.47Å; L288-F298 VanDerWaalsContact CD1-CE1 3.47Å; L288-F298 HydrophobicContact CD1-CZ 3.87Å; L288-A304 HydrophobicContact CB-CB 4.49Å; L288-A304 HydrophobicContact CD2-CB 4.1Å
289K95.4Very high94.8Very high120 Ų12067 Ų6752%0.52233%0.333SS..Hα-helixtrans-59.9-40.5175.3-73.9177.3-179.2179.80111.8I285 S286 R293I285-K289 HydrophobicContact CG2-CD 4.25Å; I285-K289 WeakPolarHBondContact O-CG 3.41Å; I285-K289 PolarHBondContact O-N 3.1Å; S286-K289 PolarHBondContact O-N 2.96Å; K289-R293 WeakPolarHBondContact O-CG 3.35Å; K289-R293 PolarHBondContact O-N 2.8Å
290A91.6Very high94.5Very high31 Ų3171.7 Ų71.726%0.25635%0.352SS..Hα-helixtrans-63.1-47.1175.300000111.5S286 K287 L288 R292 R293 E294S286-A290 PolarHBondContact O-N 2.88Å; K287-A290 WeakPolarHBondContact O-CB 3.3Å; K287-A290 PolarHBondContact O-N 2.8Å; L288-A290 VanDerWaalsContact C-N 3.3Å; L288-A290 PolarHBondContact O-N 3.15Å; A290-R292 PolarHBondContact O-N 2.93Å; A290-R293 PolarHBondContact O-N 3.25Å; A290-E294 WeakPolarHBondContact O-CB 3.46Å; A290-E294 PolarHBondContact O-N 3.1Å
291Y93.8Very high94.3Very high8 Ų878 Ų783%0.03139%0.387CS..Hα-helixtrans-58.5-45.1177.4-79.2-54.2000112.9R227 Q228 A246 K287 L288 R293 E294 F295 F298R227-Y291 HydrophobicContact CG-CE1 3.96Å; Q228-Y291 WeakPolarHBondContact O-CE1 3.37Å; A246-Y291 HydrophobicContact CB-CD2 4.4Å; K287-Y291 HydrophobicContact CD-CE2 4Å; K287-Y291 HydrophobicContact CG-CD2 4.12Å; K287-Y291 HydrophobicContact CG-CE2 3.72Å; K287-Y291 VanDerWaalsContact O-CD2 3.24Å; K287-Y291 WeakPolarHBondContact O-CD2 3.48Å; K287-Y291 PolarHBondContact O-N 2.83Å; L288-Y291 PolarHBondContact O-N 2.84Å; Y291-R293 VanDerWaalsContact C-N 3.25Å; Y291-R293 PolarHBondContact O-N 2.86Å; Y291-E294 PolarHBondContact O-N 2.75Å; Y291-F295 AromaticContact CD1-CD2 3.81Å; Y291-F295 HydrophobicContact CD1-CD2 3.81Å; Y291-F295 AromaticContact CD1-CE2 3.64Å; Y291-F295 HydrophobicContact CD1-CE2 3.64Å; Y291-F295 HydrophobicContact CE1-CE2 4.12Å; Y291-F295 WeakPolarHBondContact O-CD2 3.22Å; Y291-F295 PolarHBondContact O-N 3.07Å; Y291-F298 HydrophobicContact CD1-CE2 4.3Å; Y291-F298 HydrophobicContact CD2-CE2 4.04Å; Y291-F298 HydrophobicContact CD2-CZ 4.36Å; Y291-F298 HydrophobicContact CG-CD2 4.2Å; Y291-F298 AromaticContact CG-CE2 3.74Å; Y291-F298 HydrophobicContact CG-CE2 3.74Å; Y291-F298 HydrophobicContact CG-CZ 4.37Å
292R94.7Very high94.1Very high126 Ų12677.9 Ų77.948%0.47539%0.385SS..Hα-helixtrans-65.6-25.9179.2-72.5180175.6171.5-0.7114.1L288 A290 F298 K300 R302L288-R292 HydrophobicContact CD1-CG 4.48Å; L288-R292 PolarHBondContact O-N 2.79Å; A290-R292 PolarHBondContact O-N 2.93Å; R292-F298 HydrophobicContact CG-CD1 3.84Å; R292-F298 HydrophobicContact CG-CE1 4.39Å; R292-F298 HydrophobicContact CG-CG 4.49Å; R292-K300 PolarHBondContact NH2-O 3.33Å; R292-K300 VanDerWaalsContact NH2-O 3.13Å; R292-R302 PolarHBondContact NH2-O 3.32Å
293R92.2Very high94.1Very high206 Ų20677.3 Ų77.378%0.77738%0.376SS*.Hα-helixtrans-82.1-35.9176.3-72.6173.6-178.9172.4-2.7112.1K289 A290 Y291K289-R293 WeakPolarHBondContact O-CG 3.35Å; K289-R293 PolarHBondContact O-N 2.8Å; A290-R293 PolarHBondContact O-N 3.25Å; Y291-R293 VanDerWaalsContact C-N 3.25Å; Y291-R293 PolarHBondContact O-N 2.86Å
294E89.6Confident94.1Very high102 Ų10272.2 Ų72.248%0.47736%0.356SS..Hα-helixtrans-84.6-32.8-173.8-171.1175.8175.400112.3R227 A290 Y291R227-E294 WeakPolarHBondContact CD-OE2 3.47Å; R227-E294 IonicContact NE-OE2 3.52Å; A290-E294 WeakPolarHBondContact O-CB 3.46Å; A290-E294 PolarHBondContact O-N 3.1Å; Y291-E294 PolarHBondContact O-N 2.75Å
295F92.5Very high94.1Very high39 Ų3972.2 Ų72.217%0.17136%0.356CS..  trans-122.2110.5-176.7-54-81.3000110.9R227 I229 Y291 N297 F298R227-F295 HydrophobicContact CB-CZ 4.41Å; R227-F295 HydrophobicContact CG-CE2 4.28Å; R227-F295 HydrophobicContact CG-CZ 4.29Å; R227-F295 VanDerWaalsContact O-CZ 3.28Å; R227-F295 WeakPolarHBondContact O-CZ 3.36Å; I229-F295 HydrophobicContact CD1-CB 3.53Å; I229-F295 HydrophobicContact CD1-CD1 4.06Å; I229-F295 HydrophobicContact CD1-CD2 4.3Å; I229-F295 HydrophobicContact CD1-CG 3.69Å; I229-F295 HydrophobicContact CG1-CB 3.96Å; I229-F295 HydrophobicContact CG1-CD1 3.91Å; I229-F295 HydrophobicContact CG1-CD2 3.73Å; I229-F295 HydrophobicContact CG1-CE1 4.4Å; I229-F295 HydrophobicContact CG1-CE2 4.26Å; I229-F295 HydrophobicContact CG1-CG 3.56Å; Y291-F295 AromaticContact CD1-CD2 3.81Å; Y291-F295 HydrophobicContact CD1-CD2 3.81Å; Y291-F295 AromaticContact CD1-CE2 3.64Å; Y291-F295 HydrophobicContact CD1-CE2 3.64Å; Y291-F295 HydrophobicContact CE1-CE2 4.12Å; Y291-F295 WeakPolarHBondContact O-CD2 3.22Å; Y291-F295 PolarHBondContact O-N 3.07Å; F295-N297 PolarHBondContact O-N 3.23Å; F295-F298 HydrophobicContact CB-CB 4.2Å; F295-F298 WeakPolarHBondContact O-CB 3.36Å; F295-F298 PolarHBondContact O-N 3.25Å; F295-F298 VanDerWaalsContact O-N 3.16Å
296S91.3Very high94Very high129 Ų12971.5 Ų71.590%0.90235%0.354SS*.THydrogen-bonded Turntrans-62.6-29.7176.853.70000112.8F298S296-F298 VanDerWaalsContact C-N 3.35Å
297N92.7Very high94Very high108 Ų10869.5 Ų69.558%0.57834%0.339SS*.THydrogen-bonded Turntrans-90.313.3177.568-24.5000114F295F295-N297 PolarHBondContact O-N 3.23Å
298F93.9Very high94Very high12 Ų1274.7 Ų74.75%0.05336%0.362CS..  trans-64.1133.2178.4-170-93.9000111.6I229 A246 L288 Y291 R292 F295 S296 K300 R302I229-F298 HydrophobicContact CD1-CB 4.31Å; I229-F298 HydrophobicContact CD1-CD2 3.96Å; I229-F298 HydrophobicContact CG1-CD2 3.92Å; I229-F298 HydrophobicContact CG2-CD2 3.93Å; I229-F298 HydrophobicContact CG2-CE2 3.94Å; A246-F298 HydrophobicContact CB-CZ 4.34Å; L288-F298 HydrophobicContact CD1-CD1 4.45Å; L288-F298 HydrophobicContact CD1-CE1 3.47Å; L288-F298 VanDerWaalsContact CD1-CE1 3.47Å; L288-F298 HydrophobicContact CD1-CZ 3.87Å; Y291-F298 HydrophobicContact CD1-CE2 4.3Å; Y291-F298 HydrophobicContact CD2-CE2 4.04Å; Y291-F298 HydrophobicContact CD2-CZ 4.36Å; Y291-F298 HydrophobicContact CG-CD2 4.2Å; Y291-F298 AromaticContact CG-CE2 3.74Å; Y291-F298 HydrophobicContact CG-CE2 3.74Å; Y291-F298 HydrophobicContact CG-CZ 4.37Å; R292-F298 HydrophobicContact CG-CD1 3.84Å; R292-F298 HydrophobicContact CG-CE1 4.39Å; R292-F298 HydrophobicContact CG-CG 4.49Å; F295-F298 HydrophobicContact CB-CB 4.2Å; F295-F298 WeakPolarHBondContact O-CB 3.36Å; F295-F298 PolarHBondContact O-N 3.25Å; F295-F298 VanDerWaalsContact O-N 3.16Å; S296-F298 VanDerWaalsContact C-N 3.35Å; F298-K300 PolarHBondContact O-N 3.03Å; F298-R302 HydrophobicContact CE1-CB 3.94Å; F298-R302 HydrophobicContact CZ-CB 4.26Å
299P93Very high93.9Very high42 Ų4280.5 Ų80.527%0.27339%0.392SS..  trans-60.5122.2-177.6-29.139.4000113.5Y231 N301 R302Y231-P299 HydrophobicContact CE1-CG 4.39Å; P299-N301 PolarHBondContact O-N 3.34Å; P299-R302 HydrophobicContact CB-CG 3.99Å; P299-R302 PolarHBondContact O-N 3.3Å
300K91.7Very high93.6Very high184 Ų18477.9 Ų77.980%0.838%0.383SS*.THydrogen-bonded Turntrans-63.4-38-171.7-65.5-176.5179.9178.60113.4R292 F298 R302R292-K300 PolarHBondContact NH2-O 3.33Å; R292-K300 VanDerWaalsContact NH2-O 3.13Å; F298-K300 PolarHBondContact O-N 3.03Å; K300-R302 VanDerWaalsContact C-N 3.33Å; K300-R302 PolarHBondContact O-N 3.09Å
301N93.2Very high93.7Very high147 Ų14780.2 Ų80.279%0.78639%0.39SS*.THydrogen-bonded Turntrans-80.4-9.5-174.3-65.8-15.8000114.1P299 K303P299-N301 PolarHBondContact O-N 3.34Å; N301-K303 PolarHBondContact O-N 3.36Å
302R95.2Very high93.7Very high6 Ų684 Ų842%0.02341%0.409CS..  trans-64.6129.7176.2-76.1178.9-168.4-170.50.3110.6P230 F242 N243 L244 R292 F298 P299 K300P230-R302 PolarHBondContact O-NH1 3.27Å; F242-R302 WeakPolarHBondContact O-CD 3.48Å; F242-R302 PolarHBondContact O-NE 3.16Å; F242-R302 PolarHBondContact O-NH1 2.74Å; N243-R302 WeakPolarHBondContact O-CG 3.26Å; L244-R302 WeakPolarHBondContact O-CA 3.35Å; R292-R302 PolarHBondContact NH2-O 3.32Å; F298-R302 HydrophobicContact CE1-CB 3.94Å; F298-R302 HydrophobicContact CZ-CB 4.26Å; P299-R302 HydrophobicContact CB-CG 3.99Å; P299-R302 PolarHBondContact O-N 3.3Å; K300-R302 VanDerWaalsContact C-N 3.33Å; K300-R302 PolarHBondContact O-N 3.09Å
303K97.4Very high93.7Very high72 Ų7281.7 Ų81.731%0.31341%0.405SS..BIsolated β-bridgetrans-90.7174.6175.5-61.8-58.4-178.1167.40110.5L244 V245 A246 N301 F308 L310L244-K303 PolarHBondContact O-N 2.71Å; V245-K303 CarbonylContact C-O 3.53Å; V245-K303 WeakPolarHBondContact CA-O 3.45Å; V245-K303 HydrophobicContact CG1-CB 4.16Å; A246-K303 PolarHBondContact N-O 2.8Å; N301-K303 PolarHBondContact O-N 3.36Å; K303-F308 WeakPolarHBondContact CE-O 3.18Å; K303-L310 WeakPolarHBondContact CB-O 3.29Å
304A97.1Very high93.7Very high0 Ų074.4 Ų74.40%038%0.383CS..SBendtrans-75.9-52.8-17700000111.8A246 C247 A284 I285 L288 L310A246-A304 PolarHBondContact N-O 3.02Å; C247-A304 PolarHBondContact N-O 2.88Å; A284-A304 HydrophobicContact CB-CB 3.87Å; I285-A304 HydrophobicContact CG1-CB 3.94Å; L288-A304 HydrophobicContact CB-CB 4.49Å; L288-A304 HydrophobicContact CD2-CB 4.1Å; A304-L310 CarbonylContact C-O 3.48Å; A304-L310 WeakPolarHBondContact CA-O 3.35Å; A304-L310 WeakPolarHBondContact CB-OXT 3.31Å; A304-L310 PolarHBondContact N-O 3.36Å; A304-L310 PolarHBondContact N-OXT 2.88Å
305I97.4Very high94Very high1 Ų172.6 Ų72.61%0.00538%0.377CS..SBendtrans-151.8-30.4-165.4-165.2170.6000114.5Y250 T251 I254 M280 A284 L310Y250-I305 HydrophobicContact CD2-CD1 4.44Å; T251-I305 WeakPolarHBondContact CB-O 3.38Å; T251-I305 WeakPolarHBondContact CG2-O 3.44Å; T251-I305 PolarHBondContact OG1-O 2.79Å; I254-I305 HydrophobicContact CD1-CD1 3.39Å; I254-I305 HydrophobicContact CD1-CG1 3.79Å; M280-I305 HydrophobicContact CB-CD1 3.7Å; A284-I305 HydrophobicContact CB-CB 3.82Å; A284-I305 HydrophobicContact CB-CD1 4.29Å; A284-I305 HydrophobicContact CB-CG1 4.47Å; A284-I305 HydrophobicContact CB-CG2 4.45Å; I305-L310 HydrophobicContact CG2-CB 4.39Å; I305-L310 HydrophobicContact CG2-CD2 3.8Å; I305-L310 HydrophobicContact CG2-CG 3.98Å; I305-L310 PolarHBondContact N-O 3.48Å
306V96.8Very high94.1Very high39 Ų3974.9 Ų74.924%0.23639%0.391CS..SBendtrans-108.4120.3175.2-174.30000108.4F277 F308 I309 L310F277-V306 HydrophobicContact CE2-CG2 3.73Å; F277-V306 HydrophobicContact CZ-CG2 3.98Å; V306-F308 PolarHBondContact O-N 2.96Å; V306-I309 HydrophobicContact CB-CB 4.21Å; V306-I309 HydrophobicContact CG1-CB 3.96Å; V306-I309 HydrophobicContact CG1-CD1 3.96Å; V306-I309 HydrophobicContact CG1-CG1 4.29Å; V306-I309 PolarHBondContact O-N 3.19Å; V306-L310 HydrophobicContact CB-CB 3.99Å; V306-L310 HydrophobicContact CG2-CB 4.13Å; V306-L310 PolarHBondContact N-O 3.11Å; V306-L310 PolarHBondContact O-N 3.06Å
307P95.1Very high94.3Very high29 Ų2971 Ų7119%0.18835%0.354CS..THydrogen-bonded Turntrans-50.1134.4178.4-28.936.8000111.7M241 L244 V245 I309M241-P307 HydrophobicContact CE-CG 4.31Å; M241-P307 HydrophobicContact SD-CG 3.6Å; M241-P307 VanDerWaalsContact SD-CG 3.6Å; L244-P307 HydrophobicContact CB-CB 4.18Å; L244-P307 HydrophobicContact CD1-CB 4.09Å; L244-P307 HydrophobicContact CD1-CG 4.46Å; V245-P307 HydrophobicContact CG1-CG 4.12Å; P307-I309 PolarHBondContact O-N 2.81Å
308F93.8Very high94.4Very high155 Ų15568.2 Ų68.268%0.6834%0.337SS*.THydrogen-bonded Turntrans65.3-19.7177.8-42.9-71.9000116.4L244 K303 V306L244-F308 HydrophobicContact CD1-CE2 4.14Å; L244-F308 HydrophobicContact CD1-CZ 3.86Å; L244-F308 HydrophobicContact CD2-CE1 3.75Å; L244-F308 HydrophobicContact CD2-CZ 3.67Å; L244-F308 HydrophobicContact CG-CZ 4.37Å; K303-F308 WeakPolarHBondContact CE-O 3.18Å; V306-F308 PolarHBondContact O-N 2.96Å
309I92.9Very high94.5Very high135 Ų13572.8 Ų72.869%0.69236%0.361SS*.THydrogen-bonded Turntrans-103.7-66.4-173.7-57.6173.5000111.4V306 P307V306-I309 HydrophobicContact CB-CB 4.21Å; V306-I309 HydrophobicContact CG1-CB 3.96Å; V306-I309 HydrophobicContact CG1-CD1 3.96Å; V306-I309 HydrophobicContact CG1-CG1 4.29Å; V306-I309 PolarHBondContact O-N 3.19Å; P307-I309 PolarHBondContact O-N 2.81Å
310L90.1Very high94.6Very high64 Ų6475.6 Ų75.634%0.33537%0.369SS..  trans-1220-165.6179.761.7000113.1F277 I285 K303 A304 I305 V306F277-L310 HydrophobicContact CZ-CD2 4.29Å; I285-L310 HydrophobicContact CD1-CD1 4.1Å; I285-L310 HydrophobicContact CG1-CD1 4.41Å; K303-L310 WeakPolarHBondContact CB-O 3.29Å; A304-L310 CarbonylContact C-O 3.48Å; A304-L310 WeakPolarHBondContact CA-O 3.35Å; A304-L310 WeakPolarHBondContact CB-OXT 3.31Å; A304-L310 PolarHBondContact N-O 3.36Å; A304-L310 PolarHBondContact N-OXT 2.88Å; I305-L310 HydrophobicContact CG2-CB 4.39Å; I305-L310 HydrophobicContact CG2-CD2 3.8Å; I305-L310 HydrophobicContact CG2-CG 3.98Å; I305-L310 PolarHBondContact N-O 3.48Å; V306-L310 HydrophobicContact CB-CB 3.99Å; V306-L310 HydrophobicContact CG2-CB 4.13Å; V306-L310 PolarHBondContact N-O 3.11Å; V306-L310 PolarHBondContact O-N 3.06Å

Retrieved 310 of 310 residues in 101.9 ms (Link to these results)

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