A0A3Q0KRN5_SCHMA Loading...

Voltage-gated potassium channel, putative

AlphaFold DB , UniProt , Accession A0A3Q0KRN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 796 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
1M49.7Very low80.8Confident194 Ų19473.3 Ų73.396%0.95637%0.371SS*.  021.10-76.2170.8161.500111.9
2D64.4Low81.6Confident108 Ų10870.3 Ų70.358%0.57837%0.371SS*.  trans-101.5-16.7-154.6-43.1-83.5000112N5 R6D2-N5 PolarHBondContact O-N 2.78Å; D2-R6 PolarHBondContact O-N 3.2Å
3S67.4Low82.2Confident78 Ų7868.8 Ų68.855%0.54538%0.383SS..SBendtrans-56.8-52174.139.40000112.6N5 R6S3-N5 PolarHBondContact O-N 3.43Å; S3-R6 PolarHBondContact O-N 3.43Å
4E71.8Confident83Confident148 Ų14870 Ų7069%0.69239%0.387SS*.THydrogen-bonded Turntrans-66.8-19.9-175.9-66.4167.7-160.800113.5K20E4-K20 WeakPolarHBondContact O-CE 3.38Å; E4-K20 PolarHBondContact O-NZ 3.43Å
5N83.9Confident83.7Confident86 Ų8675.1 Ų75.146%0.4640%0.398SS..THydrogen-bonded Turntrans-94.6-6.2179.7-78.3-59.2000113.8D2 S3 Y19 K20D2-N5 PolarHBondContact O-N 2.78Å; S3-N5 PolarHBondContact O-N 3.43Å; N5-Y19 CarbonylContact O-C 3.59Å; N5-Y19 WeakPolarHBondContact O-CA 3.41Å; N5-K20 PolarHBondContact O-N 3.25Å
6R89.2Confident84.3Confident114 Ų11471.1 Ų71.143%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-81.3157.6171.7-74.1-173.1-69.1162.9-5111.6D2 S3 E17 T18 Y19D2-R6 PolarHBondContact O-N 3.2Å; S3-R6 PolarHBondContact O-N 3.43Å; R6-E17 IonicContact CZ-OE2 3.83Å; R6-E17 IonicContact NH1-OE2 2.69Å; R6-E17 PolarHBondContact NH1-OE2 3.36Å; R6-T18 CarbonylContact C-O 3.59Å; R6-T18 WeakPolarHBondContact CA-O 3.49Å; R6-Y19 HydrophobicContact CG-CD1 3.83Å; R6-Y19 HydrophobicContact CG-CE1 3.59Å
7V89.7Confident84.8Confident14 Ų1472.9 Ų72.99%0.08538%0.383CS..EExtended strand (participates in β ladder)trans-137.1133.5173-170.40000107.8L9 T18 K20 Y48V7-L9 HydrophobicContact CG1-CD2 3.68Å; V7-L9 HydrophobicContact CG1-CG 4.32Å; V7-T18 HydrophobicContact CB-CG2 4.29Å; V7-T18 PolarHBondContact N-O 3.05Å; V7-T18 PolarHBondContact O-N 3.39Å; V7-T18 VanDerWaalsContact O-N 3.12Å; V7-K20 HydrophobicContact CG2-CB 4.38Å; V7-K20 HydrophobicContact CG2-CD 4.33Å; V7-K20 HydrophobicContact CG2-CG 3.34Å; V7-Y48 HydrophobicContact CG1-CD2 3.75Å; V7-Y48 HydrophobicContact CG1-CE2 3.84Å
8I91.9Very high85.2Confident51 Ų5169.2 Ų69.226%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-98.1124.2172.1-53.7177.1000107.8R15 E17 E47 Y48I8-R15 HydrophobicContact CG2-CB 4.26Å; I8-R15 HydrophobicContact CG2-CG 4.19Å; I8-E17 HydrophobicContact CG1-CG 4.43Å; I8-E47 HydrophobicContact CB-CB 3.74Å; I8-E47 HydrophobicContact CG2-CB 3.7Å; I8-E47 WeakPolarHBondContact CG2-OE2 3.32Å; I8-E47 WeakPolarHBondContact O-CA 3.4Å; I8-Y48 PolarHBondContact O-N 2.94Å
9L92.8Very high85.5Confident0 Ų071.8 Ų71.80%037%0.369CS..EExtended strand (participates in β ladder)trans-114.4107.9176.1-54.5178.9000107.7V7 V11 H16 T18 L23 L31 L34 Y48 F50 F57V7-L9 HydrophobicContact CG1-CD2 3.68Å; V7-L9 HydrophobicContact CG1-CG 4.32Å; L9-V11 HydrophobicContact CB-CG2 4.48Å; L9-H16 PolarHBondContact N-O 2.97Å; L9-H16 PolarHBondContact O-N 3.04Å; L9-T18 HydrophobicContact CD1-CG2 4.02Å; L9-T18 HydrophobicContact CG-CG2 4.45Å; L9-L23 HydrophobicContact CD1-CD1 4.2Å; L9-L23 HydrophobicContact CD1-CD2 4.43Å; L9-L31 HydrophobicContact CD1-CD2 4.12Å; L9-L34 HydrophobicContact CD2-CD1 3.92Å; L9-Y48 HydrophobicContact CD2-CD2 4.14Å; L9-Y48 HydrophobicContact CD2-CG 4.24Å; L9-F50 HydrophobicContact CD2-CE2 4.4Å; L9-F57 HydrophobicContact CB-CE1 4.33Å; L9-F57 HydrophobicContact CB-CZ 4.35Å; L9-F57 HydrophobicContact CD1-CE1 4.22Å; L9-F57 HydrophobicContact CD1-CZ 3.73Å
10N93.7Very high85.6Confident13 Ų1372.4 Ų72.47%0.0737%0.368CS..EExtended strand (participates in β ladder)trans-92.5107.7178.1-177.9-10.5000108.9G13 I14 R15 E47 Y48 F49 F50N10-G13 WeakPolarHBondContact OD1-CA 3.4Å; N10-G13 PolarHBondContact OD1-N 3.34Å; N10-I14 CarbonylContact C-O 3.57Å; N10-I14 WeakPolarHBondContact CA-O 3.49Å; N10-R15 HydrophobicContact CB-CG 4.34Å; N10-E47 HydrophobicContact CB-CG 4.2Å; N10-E47 PolarHBondContact ND2-OE1 3.41Å; N10-Y48 PolarHBondContact N-O 2.82Å; N10-F49 HydrophobicContact CB-CD2 4.2Å; N10-F49 CarbonylContact O-C 3.6Å; N10-F49 VanDerWaalsContact O-CA 3.32Å; N10-F49 WeakPolarHBondContact O-CA 3.4Å; N10-F50 PolarHBondContact O-N 2.69Å
11V93.6Very high85.8Confident0 Ų072.3 Ų72.30%038%0.379CS..EExtended strand (participates in β ladder)trans-118.5117.5-173.9-172.10000108.9L9 G13 I14 F50 R52 P54 F57 W87L9-V11 HydrophobicContact CB-CG2 4.48Å; V11-G13 PolarHBondContact O-N 3.46Å; V11-G13 VanDerWaalsContact O-N 3.1Å; V11-I14 PolarHBondContact N-O 3.33Å; V11-I14 PolarHBondContact O-N 2.84Å; V11-F50 CarbonylContact C-O 3.52Å; V11-F50 WeakPolarHBondContact CA-O 3.49Å; V11-F50 HydrophobicContact CG1-CB 4.39Å; V11-F50 HydrophobicContact CG2-CB 4.34Å; V11-F50 HydrophobicContact CG2-CD2 4.17Å; V11-R52 HydrophobicContact CG1-CB 3.75Å; V11-P54 WeakPolarHBondContact O-CB 3.35Å; V11-F57 HydrophobicContact CB-CB 4.3Å; V11-F57 HydrophobicContact CB-CD1 4.14Å; V11-F57 HydrophobicContact CB-CG 4.08Å; V11-F57 HydrophobicContact CG1-CB 3.84Å; V11-F57 HydrophobicContact CG1-CD1 4.48Å; V11-F57 HydrophobicContact CG1-CD2 4.23Å; V11-F57 HydrophobicContact CG1-CG 3.92Å; V11-F57 HydrophobicContact CG2-CB 4.49Å; V11-F57 HydrophobicContact CG2-CD1 3.62Å; V11-F57 HydrophobicContact CG2-CD2 3.98Å; V11-F57 HydrophobicContact CG2-CE1 3.76Å; V11-F57 HydrophobicContact CG2-CE2 4.1Å; V11-F57 HydrophobicContact CG2-CG 3.74Å; V11-F57 HydrophobicContact CG2-CZ 4Å; V11-W87 HydrophobicContact CG1-CZ2 4.49Å
12G90.5Very high87.8Confident37 Ų3764.1 Ų64.138%0.38134%0.34SS..THydrogen-bonded Turntrans57.324.5-17700000114.3F50 R52G12-F50 PolarHBondContact N-O 2.78Å; G12-R52 WeakPolarHBondContact CA-O 3.38Å; G12-R52 PolarHBondContact N-O 3.44Å
13G90.2Very high89.1Confident51 Ų5159.3 Ų59.353%0.52631%0.314SS..THydrogen-bonded Turntrans90.7-6.5-173.800000115.3N10 V11N10-G13 WeakPolarHBondContact OD1-CA 3.4Å; N10-G13 PolarHBondContact OD1-N 3.34Å; V11-G13 PolarHBondContact O-N 3.46Å; V11-G13 VanDerWaalsContact O-N 3.1Å
14I93.5Very high90.1Very high86 Ų8663 Ų6344%0.44132%0.321SS..EExtended strand (participates in β ladder)trans-95.9126.5176.5-55.7-161.9000110N10 V11 H16 P54N10-I14 CarbonylContact C-O 3.57Å; N10-I14 WeakPolarHBondContact CA-O 3.49Å; V11-I14 PolarHBondContact N-O 3.33Å; V11-I14 PolarHBondContact O-N 2.84Å; I14-H16 PolarHBondContact O-CD2 3.14Å; I14-P54 HydrophobicContact CB-CB 4.09Å; I14-P54 HydrophobicContact CD1-CB 3.82Å; I14-P54 HydrophobicContact CD1-CG 4.13Å; I14-P54 HydrophobicContact CG1-CB 3.89Å; I14-P54 HydrophobicContact CG1-CG 4.32Å
15R93.3Very high90.9Very high146 Ų14661.9 Ų61.955%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-84.2125.2176.9-70.5178.6169.110016.5111.1I8 N10 E47I8-R15 HydrophobicContact CG2-CB 4.26Å; I8-R15 HydrophobicContact CG2-CG 4.19Å; N10-R15 HydrophobicContact CB-CG 4.34Å; R15-E47 IonicContact CZ-OE1 2.88Å; R15-E47 IonicContact CZ-OE2 2.75Å; R15-E47 IonicContact NE-OE1 3.2Å; R15-E47 IonicContact NE-OE2 2.62Å; R15-E47 PolarHBondContact NE-OE2 2.83Å; R15-E47 IonicContact NH2-OE1 3.38Å; R15-E47 PolarHBondContact NH2-OE1 3.05Å; R15-E47 IonicContact NH2-OE2 2.74Å; R15-E47 PolarHBondContact NH2-OE2 2.82Å
16H93.4Very high91.1Very high11 Ų1159.6 Ų59.65%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-117.6121.4174.6-53.2-97.5000109.9L9 I14 F57 N58 L61L9-H16 PolarHBondContact N-O 2.97Å; L9-H16 PolarHBondContact O-N 3.04Å; I14-H16 PolarHBondContact O-CD2 3.14Å; H16-F57 HydrophobicContact CB-CD1 4.38Å; H16-F57 HydrophobicContact CB-CE1 4.05Å; H16-F57 AromaticContact CD2-CD1 3.56Å; H16-F57 AromaticContact CD2-CE1 3.96Å; H16-F57 AromaticContact CE1-CD1 4Å; H16-F57 AromaticContact CG-CD1 3.78Å; H16-F57 AromaticContact CG-CE1 3.96Å; H16-F57 AromaticContact NE2-CD1 3.71Å; H16-N58 PolarHBondContact CE1-OD1 3Å; H16-N58 PolarHBondContact ND1-OD1 2.83Å; H16-N58 VanDerWaalsContact ND1-OD1 3.16Å; H16-L61 HydrophobicContact CB-CD2 3.8Å
17E91.9Very high90.8Very high102 Ų10258.9 Ų58.948%0.47731%0.311SS..EExtended strand (participates in β ladder)trans-90.6141175.5-73-171-138.100112.5R6 I8 R65R6-E17 IonicContact CZ-OE2 3.83Å; R6-E17 IonicContact NH1-OE2 2.69Å; R6-E17 PolarHBondContact NH1-OE2 3.36Å; I8-E17 HydrophobicContact CG1-CG 4.43Å; E17-R65 PolarHBondContact O-NH2 2.98Å
18T91.9Very high90.4Very high7 Ų761.7 Ų61.74%0.04334%0.335CS..EExtended strand (participates in β ladder)trans-155.8172.7176.9-165.50000111.3R6 V7 L9 L23 L61R6-T18 CarbonylContact C-O 3.59Å; R6-T18 WeakPolarHBondContact CA-O 3.49Å; V7-T18 HydrophobicContact CB-CG2 4.29Å; V7-T18 PolarHBondContact N-O 3.05Å; V7-T18 PolarHBondContact O-N 3.39Å; V7-T18 VanDerWaalsContact O-N 3.12Å; L9-T18 HydrophobicContact CD1-CG2 4.02Å; L9-T18 HydrophobicContact CG-CG2 4.45Å; T18-L23 HydrophobicContact CG2-CD1 3.92Å; T18-L23 HydrophobicContact CG2-CD2 3.89Å; T18-L23 HydrophobicContact CG2-CG 3.87Å; T18-L61 HydrophobicContact CG2-CD1 4.31Å
19Y91.4Very high90.3Very high118 Ų11859.5 Ų59.546%0.46332%0.324SS..EExtended strand (participates in β ladder)trans-100146.9176.3-62.9-77.4000112N5 R6 A21 T22 L23N5-Y19 CarbonylContact O-C 3.59Å; N5-Y19 WeakPolarHBondContact O-CA 3.41Å; R6-Y19 HydrophobicContact CG-CD1 3.83Å; R6-Y19 HydrophobicContact CG-CE1 3.59Å; Y19-A21 PolarHBondContact O-N 3.48Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; Y19-T22 WeakPolarHBondContact O-CB 3.35Å; Y19-T22 PolarHBondContact O-N 3.49Å; Y19-L23 PolarHBondContact O-N 3.36Å
20K88.5Confident90.1Very high83 Ų8364.6 Ų64.636%0.36134%0.344SS..Hα-helixtrans-53.1-32.6172.9-69.6177.3-178.8168.50112E4 N5 V7 K24E4-K20 WeakPolarHBondContact O-CE 3.38Å; E4-K20 PolarHBondContact O-NZ 3.43Å; N5-K20 PolarHBondContact O-N 3.25Å; V7-K20 HydrophobicContact CG2-CB 4.38Å; V7-K20 HydrophobicContact CG2-CD 4.33Å; V7-K20 HydrophobicContact CG2-CG 3.34Å; K20-K24 WeakPolarHBondContact O-CG 3.32Å; K20-K24 PolarHBondContact O-N 3.13Å
21A89.5Confident89.9Confident72 Ų7264.1 Ų64.160%0.59534%0.341SS*.Hα-helixtrans-69-38.6174.300000113.4Y19 L23 K24 K25Y19-A21 PolarHBondContact O-N 3.48Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; A21-L23 PolarHBondContact O-N 2.92Å; A21-K24 PolarHBondContact O-N 2.83Å; A21-K25 PolarHBondContact O-N 3.44Å
22T91.7Very high89.6Confident21 Ų2165.4 Ų65.413%0.12935%0.35CS..Hα-helixtrans-64.4-41.7-179.4-52.20000111.6Y19 K24 K25 R65Y19-T22 WeakPolarHBondContact O-CB 3.35Å; Y19-T22 PolarHBondContact O-N 3.49Å; T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 PolarHBondContact O-N 3.35Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.18Å; T22-R65 HydrophobicContact CG2-CG 4.03Å
23L90.3Very high89.4Confident8 Ų870 Ų704%0.04236%0.359CS..Hα-helixtrans-70-25.1178-58.4-174.9000113.1L9 T18 Y19 A21 L31 S32 L34 L61L9-L23 HydrophobicContact CD1-CD1 4.2Å; L9-L23 HydrophobicContact CD1-CD2 4.43Å; T18-L23 HydrophobicContact CG2-CD1 3.92Å; T18-L23 HydrophobicContact CG2-CD2 3.89Å; T18-L23 HydrophobicContact CG2-CG 3.87Å; Y19-L23 PolarHBondContact O-N 3.36Å; A21-L23 PolarHBondContact O-N 2.92Å; L23-L31 HydrophobicContact CD2-CB 4.12Å; L23-L31 HydrophobicContact CD2-CD1 4.07Å; L23-S32 WeakPolarHBondContact O-CA 3.44Å; L23-S32 WeakPolarHBondContact O-CB 3.38Å; L23-L34 HydrophobicContact CD1-CD1 4.28Å; L23-L61 HydrophobicContact CD2-CD1 4.37Å
24K89.4Confident89.1Confident155 Ų15569.1 Ų69.167%0.67434%0.343SS*.Hα-helixtrans-81.5-9.7177.1-73.4178.7178.4-174.70114.4K20 A21 T22 I26K20-K24 WeakPolarHBondContact O-CG 3.32Å; K20-K24 PolarHBondContact O-N 3.13Å; A21-K24 PolarHBondContact O-N 2.83Å; T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 PolarHBondContact O-N 3.35Å; K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 2.81Å
25K88.9Confident88.4Confident124 Ų12468.8 Ų68.854%0.53935%0.345SS..THydrogen-bonded Turntrans-59-37.2178.6-80.2176161.8-163.20113.6A21 T22 P27 Y64 R65A21-K25 PolarHBondContact O-N 3.44Å; T22-K25 WeakPolarHBondContact O-CB 3.48Å; T22-K25 PolarHBondContact O-N 3.18Å; K25-P27 WeakPolarHBondContact O-CD 3.42Å; K25-Y64 WeakPolarHBondContact CD-O 3.47Å; K25-Y64 PolarHBondContact NZ-O 3.11Å; K25-R65 PolarHBondContact NZ-O 2.73Å
26I88.5Confident87.6Confident39 Ų3967.9 Ų67.920%0.235%0.347CS..SBendtrans-114.297.5-177.2-48.2-176.9000106.9K24 T29 S32 Y63 Y64K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 2.81Å; I26-T29 HydrophobicContact CB-CG2 4.08Å; I26-T29 HydrophobicContact CG2-CG2 3.6Å; I26-T29 PolarHBondContact O-OG1 2.78Å; I26-S32 VanDerWaalsContact O-CB 3.24Å; I26-S32 WeakPolarHBondContact O-CB 3.41Å; I26-Y63 HydrophobicContact CD1-CD1 3.62Å; I26-Y63 HydrophobicContact CD1-CE1 3.36Å; I26-Y63 HydrophobicContact CD1-CE2 4.43Å; I26-Y63 HydrophobicContact CD1-CG 4.27Å; I26-Y64 HydrophobicContact CB-CD1 4.21Å; I26-Y64 HydrophobicContact CB-CE1 3.97Å; I26-Y64 HydrophobicContact CD1-CD1 4.09Å; I26-Y64 HydrophobicContact CD1-CE1 4.32Å; I26-Y64 HydrophobicContact CD1-CG 4.38Å; I26-Y64 HydrophobicContact CG1-CD1 4.07Å; I26-Y64 HydrophobicContact CG1-CE1 4.3Å
27P82.3Confident86.3Confident99 Ų9971.9 Ų71.964%0.64338%0.382SS*.THydrogen-bonded Turntrans-68169.8-179.428.5-34.7000111.8K25 T29K25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 3.04Å
28A81.6Confident85.6Confident72 Ų7269.5 Ų69.560%0.59537%0.374SS*.THydrogen-bonded Turntrans67.8-17.6-179.500000117.5S32 K33A28-S32 PolarHBondContact N-OG 3.01Å; A28-K33 VanDerWaalsContact O-CE 3.28Å; A28-K33 WeakPolarHBondContact O-CE 3.28Å; A28-K33 PolarHBondContact O-NZ 3.49Å
29T89.7Confident84.8Confident5 Ų574.3 Ų74.33%0.03141%0.414CS..SBendtrans-66.8165.4176.677.40000113.3I26 P27 L31 S32 K33 Y64 L89I26-T29 HydrophobicContact CB-CG2 4.08Å; I26-T29 HydrophobicContact CG2-CG2 3.6Å; I26-T29 PolarHBondContact O-OG1 2.78Å; P27-T29 PolarHBondContact O-N 3.04Å; T29-L31 PolarHBondContact O-N 3.4Å; T29-S32 PolarHBondContact N-OG 3.11Å; T29-S32 VanDerWaalsContact N-OG 3.11Å; T29-S32 PolarHBondContact O-N 3.26Å; T29-S32 PolarHBondContact O-OG 2.89Å; T29-S32 WeakPolarHBondContact OG1-CB 3.31Å; T29-S32 PolarHBondContact OG1-N 3.45Å; T29-S32 VanDerWaalsContact OG1-N 3.16Å; T29-S32 PolarHBondContact OG1-OG 3.41Å; T29-K33 WeakPolarHBondContact O-CG 3.41Å; T29-K33 PolarHBondContact O-N 2.88Å; T29-Y64 WeakPolarHBondContact CB-OH 3.47Å; T29-Y64 HydrophobicContact CG2-CE1 4.37Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.38Å; T29-Y64 PolarHBondContact OG1-OH 3.5Å; T29-L89 HydrophobicContact CG2-CD2 3.65Å
30R88.8Confident84.4Confident107 Ų10771.5 Ų71.540%0.40441%0.408SS..THydrogen-bonded Turntrans-60.5-41.5174.9-171.6-177.2-61.5-105.1-1.8112.8K33 F86 W87R30-K33 PolarHBondContact O-N 2.81Å; R30-F86 VanDerWaalsContact CZ-O 3.23Å; R30-F86 PolarHBondContact NE-O 3.33Å; R30-F86 VanDerWaalsContact NH2-CD2 3.35Å; R30-F86 PolarHBondContact NH2-O 2.79Å; R30-W87 HydrophobicContact CB-CE3 4.46Å; R30-W87 WeakPolarHBondContact CB-O 3.42Å; R30-W87 PolarHBondContact N-O 3.37Å
31L89.7Confident84.4Confident3 Ų369.8 Ų69.82%0.01640%0.399CS..G310 helixtrans-71.4-30.6-178.3-67.8-179.8000113L9 L23 T29 K33 L34 F57 Y64 W87L9-L31 HydrophobicContact CD1-CD2 4.12Å; L23-L31 HydrophobicContact CD2-CB 4.12Å; L23-L31 HydrophobicContact CD2-CD1 4.07Å; T29-L31 PolarHBondContact O-N 3.4Å; L31-K33 PolarHBondContact O-N 2.9Å; L31-L34 HydrophobicContact CD2-CD1 3.83Å; L31-L34 WeakPolarHBondContact O-CG 3.48Å; L31-F57 HydrophobicContact CD1-CE2 3.98Å; L31-F57 HydrophobicContact CD1-CZ 4.03Å; L31-Y64 HydrophobicContact CB-CE1 4.33Å; L31-Y64 HydrophobicContact CD1-CD2 4.28Å; L31-Y64 HydrophobicContact CD1-CE2 3.7Å; L31-W87 HydrophobicContact CD1-CE3 4.39Å; L31-W87 HydrophobicContact CD2-CE3 3.88Å; L31-W87 HydrophobicContact CD2-CH2 4.49Å; L31-W87 HydrophobicContact CD2-CZ3 3.52Å; L31-W87 HydrophobicContact CG-CE3 3.87Å; L31-W87 HydrophobicContact CG-CZ3 4.06Å
32S87.5Confident84.3Confident27 Ų2768.7 Ų68.719%0.18938%0.383CS..G310 helixtrans-66.9-23.9175.173.10000113.4L23 I26 A28 T29L23-S32 WeakPolarHBondContact O-CA 3.44Å; L23-S32 WeakPolarHBondContact O-CB 3.38Å; I26-S32 VanDerWaalsContact O-CB 3.24Å; I26-S32 WeakPolarHBondContact O-CB 3.41Å; A28-S32 PolarHBondContact N-OG 3.01Å; T29-S32 PolarHBondContact N-OG 3.11Å; T29-S32 VanDerWaalsContact N-OG 3.11Å; T29-S32 PolarHBondContact O-N 3.26Å; T29-S32 PolarHBondContact O-OG 2.89Å; T29-S32 WeakPolarHBondContact OG1-CB 3.31Å; T29-S32 PolarHBondContact OG1-N 3.45Å; T29-S32 VanDerWaalsContact OG1-N 3.16Å; T29-S32 PolarHBondContact OG1-OG 3.41Å
33K85.1Confident83.9Confident133 Ų13372.5 Ų72.558%0.57841%0.408SS*.G310 helixtrans-99.19.2-175.6-70.3169.2174.1161.10114.1A28 T29 R30 L31 T35A28-K33 VanDerWaalsContact O-CE 3.28Å; A28-K33 WeakPolarHBondContact O-CE 3.28Å; A28-K33 PolarHBondContact O-NZ 3.49Å; T29-K33 WeakPolarHBondContact O-CG 3.41Å; T29-K33 PolarHBondContact O-N 2.88Å; R30-K33 PolarHBondContact O-N 2.81Å; L31-K33 PolarHBondContact O-N 2.9Å; K33-T35 PolarHBondContact O-N 3.16Å
34L84Confident83.8Confident33 Ų3379.3 Ų79.317%0.17344%0.443CS..  trans-66.3125.3178.8-65.6178.9000111.2L9 L23 L31 Y48 F50L9-L34 HydrophobicContact CD2-CD1 3.92Å; L23-L34 HydrophobicContact CD1-CD1 4.28Å; L31-L34 HydrophobicContact CD2-CD1 3.83Å; L31-L34 WeakPolarHBondContact O-CG 3.48Å; L34-Y48 HydrophobicContact CB-CE1 4.02Å; L34-Y48 HydrophobicContact CD1-CD1 4.27Å; L34-Y48 HydrophobicContact CD1-CE1 4.5Å; L34-Y48 HydrophobicContact CD1-CG 4.34Å; L34-Y48 HydrophobicContact CD2-CD1 4.04Å; L34-Y48 HydrophobicContact CD2-CE1 4.23Å; L34-Y48 HydrophobicContact CG-CE1 4.47Å; L34-F50 HydrophobicContact CD2-CZ 4.02Å
35T79.7Confident83.6Confident79 Ų7976.3 Ų76.349%0.48543%0.434SS..  trans-130.4156.5168.665.80000108.6K33 A37 V38K33-T35 PolarHBondContact O-N 3.16Å; T35-A37 PolarHBondContact O-N 2.77Å; T35-V38 WeakPolarHBondContact O-CB 3.47Å; T35-V38 WeakPolarHBondContact O-CG2 3.48Å; T35-V38 PolarHBondContact O-N 2.97Å
36E76.2Confident83.5Confident127 Ų12775.2 Ų75.259%0.59343%0.434SS*.THydrogen-bonded Turntrans-65.2-9.3179.6-67155.4-150.600112.8Y41 Y48E36-Y41 HydrophobicContact CB-CD1 3.91Å; E36-Y41 HydrophobicContact CB-CE1 3.9Å; E36-Y41 HydrophobicContact CG-CD1 4.19Å; E36-Y41 HydrophobicContact CG-CE1 3.86Å; E36-Y41 HydrophobicContact CG-CE2 4.49Å; E36-Y41 WeakPolarHBondContact O-CD1 3.24Å; E36-Y48 PolarHBondContact N-OH 3.31Å
37A66.5Low83.6Confident96 Ų9673.7 Ų73.779%0.79343%0.426SS*.THydrogen-bonded Turntrans-87.6-2.3172.400000114.1T35T35-A37 PolarHBondContact O-N 2.77Å
38V75.8Confident84.1Confident52 Ų5269.7 Ų69.732%0.31540%0.398SS..SBendtrans-79.6131.6174.3-1800000109.4T35 N40 Y41T35-V38 WeakPolarHBondContact O-CB 3.47Å; T35-V38 WeakPolarHBondContact O-CG2 3.48Å; T35-V38 PolarHBondContact O-N 2.97Å; V38-N40 HydrophobicContact CG1-CB 4.24Å; V38-N40 PolarHBondContact O-N 3.12Å; V38-Y41 PolarHBondContact O-N 3.45Å
39A75.1Confident84.6Confident107 Ų10770.8 Ų70.888%0.88439%0.39SS*.THydrogen-bonded Turntrans-61.54.8-176.300000116.6
40N83.2Confident84.7Confident60 Ų6070.8 Ų70.832%0.32139%0.389SS..THydrogen-bonded Turntrans-96.7-9.2174.4-73.465.5000112.7V38 Y48 F49 F50V38-N40 HydrophobicContact CG1-CB 4.24Å; V38-N40 PolarHBondContact O-N 3.12Å; N40-Y48 CarbonylContact O-C 3.55Å; N40-Y48 WeakPolarHBondContact O-CA 3.43Å; N40-F49 WeakPolarHBondContact CB-O 3.47Å; N40-F49 PolarHBondContact ND2-O 2.83Å; N40-F49 PolarHBondContact O-N 3.28Å; N40-F50 HydrophobicContact CB-CE1 4.33Å; N40-F50 HydrophobicContact CB-CZ 4.5Å; N40-F50 WeakPolarHBondContact ND2-CD1 3.1Å
41Y88.2Confident84.9Confident47 Ų4772.4 Ų72.418%0.18441%0.406CS..EExtended strand (participates in β ladder)trans-84.5124.4-179.9179.7-119.1000111.1E36 V38 P43 N46 Y48E36-Y41 HydrophobicContact CB-CD1 3.91Å; E36-Y41 HydrophobicContact CB-CE1 3.9Å; E36-Y41 HydrophobicContact CG-CD1 4.19Å; E36-Y41 HydrophobicContact CG-CE1 3.86Å; E36-Y41 HydrophobicContact CG-CE2 4.49Å; E36-Y41 WeakPolarHBondContact O-CD1 3.24Å; V38-Y41 PolarHBondContact O-N 3.45Å; Y41-P43 HydrophobicContact CE1-CB 4.19Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å; Y41-N46 PolarHBondContact OH-OD1 2.74Å; Y41-N46 VanDerWaalsContact OH-OD1 3.14Å; Y41-Y48 HydrophobicContact CD2-CD1 4.25Å; Y41-Y48 AromaticContact CD2-CD2 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 3.93Å; Y41-Y48 AromaticContact CD2-CE1 3.99Å; Y41-Y48 HydrophobicContact CD2-CE1 3.99Å; Y41-Y48 AromaticContact CD2-CE2 3.6Å; Y41-Y48 HydrophobicContact CD2-CE2 3.6Å; Y41-Y48 HydrophobicContact CD2-CG 4.22Å; Y41-Y48 AromaticContact CD2-CZ 3.63Å; Y41-Y48 HydrophobicContact CE2-CE2 4.04Å; Y41-Y48 HydrophobicContact CG-CE1 4.17Å
42D88.1Confident85Confident49 Ų4975 Ų7526%0.26242%0.416SS..EExtended strand (participates in β ladder)trans-91.9110.4169.6-178.8-2.3000109.7I44 L45 N46 E47D42-I44 PolarHBondContact O-N 3.02Å; D42-I44 VanDerWaalsContact OD1-CB 3.31Å; D42-I44 WeakPolarHBondContact OD1-CB 3.05Å; D42-I44 PolarHBondContact OD1-N 2.87Å; D42-L45 HydrophobicContact CB-CB 4.48Å; D42-L45 WeakPolarHBondContact OD2-CD1 3.41Å; D42-L45 WeakPolarHBondContact OD2-CG 3.46Å; D42-N46 WeakPolarHBondContact O-CA 3.43Å; D42-N46 PolarHBondContact O-N 2.84Å; D42-E47 PolarHBondContact N-O 2.88Å
43P84.3Confident85.2Confident101 Ų10177.2 Ų77.266%0.65642%0.423SS*.THydrogen-bonded Turntrans-72.4-12.8179.732.1-36.8000113.7Y41Y41-P43 HydrophobicContact CE1-CB 4.19Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å
44I87.1Confident85.5Confident151 Ų15172.3 Ų72.377%0.77441%0.405SS*.THydrogen-bonded Turntrans-80.9-43.4177.7-55.7174.9000110D42D42-I44 PolarHBondContact O-N 3.02Å; D42-I44 VanDerWaalsContact OD1-CB 3.31Å; D42-I44 WeakPolarHBondContact OD1-CB 3.05Å; D42-I44 PolarHBondContact OD1-N 2.87Å
45L85.2Confident85.8Confident91 Ų9172.2 Ų72.248%0.47641%0.412SS..THydrogen-bonded Turntrans-95.3-11.9-178.3-66.2179.7000114.1D42 E47D42-L45 HydrophobicContact CB-CB 4.48Å; D42-L45 WeakPolarHBondContact OD2-CD1 3.41Å; D42-L45 WeakPolarHBondContact OD2-CG 3.46Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 HydrophobicContact CB-CG 3.85Å; L45-E47 PolarHBondContact O-N 2.86Å
46N87.2Confident86.4Confident102 Ų10268.5 Ų68.555%0.54539%0.389SS..THydrogen-bonded Turntrans55.343.5-173.7-170.77.3000111.9Y41 D42Y41-N46 PolarHBondContact OH-OD1 2.74Å; Y41-N46 VanDerWaalsContact OH-OD1 3.14Å; D42-N46 WeakPolarHBondContact O-CA 3.43Å; D42-N46 PolarHBondContact O-N 2.84Å
47E91.2Very high87.3Confident6 Ų662.4 Ų62.43%0.02836%0.36CS..EExtended strand (participates in β ladder)trans-134.4152.717873.5-175.7-166.400112I8 N10 R15 D42 L45I8-E47 HydrophobicContact CB-CB 3.74Å; I8-E47 HydrophobicContact CG2-CB 3.7Å; I8-E47 WeakPolarHBondContact CG2-OE2 3.32Å; I8-E47 WeakPolarHBondContact O-CA 3.4Å; N10-E47 HydrophobicContact CB-CG 4.2Å; N10-E47 PolarHBondContact ND2-OE1 3.41Å; R15-E47 IonicContact CZ-OE1 2.88Å; R15-E47 IonicContact CZ-OE2 2.75Å; R15-E47 IonicContact NE-OE1 3.2Å; R15-E47 IonicContact NE-OE2 2.62Å; R15-E47 PolarHBondContact NE-OE2 2.83Å; R15-E47 IonicContact NH2-OE1 3.38Å; R15-E47 PolarHBondContact NH2-OE1 3.05Å; R15-E47 IonicContact NH2-OE2 2.74Å; R15-E47 PolarHBondContact NH2-OE2 2.82Å; D42-E47 PolarHBondContact N-O 2.88Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 HydrophobicContact CB-CG 3.85Å; L45-E47 PolarHBondContact O-N 2.86Å
48Y91.6Very high88.5Confident16 Ų1661.2 Ų61.26%0.06334%0.341CS..EExtended strand (participates in β ladder)trans-98.1118.1174.8-66.9-102.4000109.4V7 I8 L9 N10 L34 E36 N40 Y41V7-Y48 HydrophobicContact CG1-CD2 3.75Å; V7-Y48 HydrophobicContact CG1-CE2 3.84Å; I8-Y48 PolarHBondContact O-N 2.94Å; L9-Y48 HydrophobicContact CD2-CD2 4.14Å; L9-Y48 HydrophobicContact CD2-CG 4.24Å; N10-Y48 PolarHBondContact N-O 2.82Å; L34-Y48 HydrophobicContact CB-CE1 4.02Å; L34-Y48 HydrophobicContact CD1-CD1 4.27Å; L34-Y48 HydrophobicContact CD1-CE1 4.5Å; L34-Y48 HydrophobicContact CD1-CG 4.34Å; L34-Y48 HydrophobicContact CD2-CD1 4.04Å; L34-Y48 HydrophobicContact CD2-CE1 4.23Å; L34-Y48 HydrophobicContact CG-CE1 4.47Å; E36-Y48 PolarHBondContact N-OH 3.31Å; N40-Y48 CarbonylContact O-C 3.55Å; N40-Y48 WeakPolarHBondContact O-CA 3.43Å; Y41-Y48 HydrophobicContact CD2-CD1 4.25Å; Y41-Y48 AromaticContact CD2-CD2 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 3.93Å; Y41-Y48 AromaticContact CD2-CE1 3.99Å; Y41-Y48 HydrophobicContact CD2-CE1 3.99Å; Y41-Y48 AromaticContact CD2-CE2 3.6Å; Y41-Y48 HydrophobicContact CD2-CE2 3.6Å; Y41-Y48 HydrophobicContact CD2-CG 4.22Å; Y41-Y48 AromaticContact CD2-CZ 3.63Å; Y41-Y48 HydrophobicContact CE2-CE2 4.04Å; Y41-Y48 HydrophobicContact CG-CE1 4.17Å
49F91.9Very high89.3Confident95 Ų9560.2 Ų60.242%0.41733%0.333SS..EExtended strand (participates in β ladder)trans-90.9136.9180-176.7-106.6000112.7N10 N40 D51N10-F49 HydrophobicContact CB-CD2 4.2Å; N10-F49 CarbonylContact O-C 3.6Å; N10-F49 VanDerWaalsContact O-CA 3.32Å; N10-F49 WeakPolarHBondContact O-CA 3.4Å; N40-F49 WeakPolarHBondContact CB-O 3.47Å; N40-F49 PolarHBondContact ND2-O 2.83Å; N40-F49 PolarHBondContact O-N 3.28Å; F49-D51 HydrophobicContact CE1-CB 4.08Å; F49-D51 HydrophobicContact CZ-CB 4.33Å
50F92.6Very high90.2Very high4 Ų455.1 Ų55.12%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-139.3116.2175.2-58.5-89.6000110.8L9 N10 V11 G12 L34 N40 R52 F86 W87L9-F50 HydrophobicContact CD2-CE2 4.4Å; N10-F50 PolarHBondContact O-N 2.69Å; V11-F50 CarbonylContact C-O 3.52Å; V11-F50 WeakPolarHBondContact CA-O 3.49Å; V11-F50 HydrophobicContact CG1-CB 4.39Å; V11-F50 HydrophobicContact CG2-CB 4.34Å; V11-F50 HydrophobicContact CG2-CD2 4.17Å; G12-F50 PolarHBondContact N-O 2.78Å; L34-F50 HydrophobicContact CD2-CZ 4.02Å; N40-F50 HydrophobicContact CB-CE1 4.33Å; N40-F50 HydrophobicContact CB-CZ 4.5Å; N40-F50 WeakPolarHBondContact ND2-CD1 3.1Å; F50-R52 VanDerWaalsContact C-N 3.32Å; F50-R52 HydrophobicContact CB-CB 4.25Å; F50-R52 HydrophobicContact CB-CG 4.12Å; F50-R52 PolarHBondContact O-N 2.78Å; F50-F86 HydrophobicContact CD1-CE1 4.38Å; F50-F86 HydrophobicContact CD1-CZ 4.36Å; F50-W87 HydrophobicContact CB-CH2 3.97Å; F50-W87 HydrophobicContact CB-CZ2 4.46Å; F50-W87 AromaticContact CD1-CH2 3.57Å; F50-W87 HydrophobicContact CD1-CH2 3.57Å; F50-W87 AromaticContact CD1-CZ3 3.89Å; F50-W87 HydrophobicContact CD1-CZ3 3.89Å; F50-W87 AromaticContact CD2-CH2 3.85Å; F50-W87 HydrophobicContact CD2-CH2 3.85Å; F50-W87 HydrophobicContact CD2-CZ3 4.41Å; F50-W87 AromaticContact CE1-CH2 3.95Å; F50-W87 HydrophobicContact CE1-CH2 3.95Å; F50-W87 AromaticContact CE1-CZ3 3.79Å; F50-W87 HydrophobicContact CE1-CZ3 3.79Å; F50-W87 HydrophobicContact CE2-CH2 4.19Å; F50-W87 HydrophobicContact CE2-CZ3 4.31Å; F50-W87 AromaticContact CG-CH2 3.52Å; F50-W87 HydrophobicContact CG-CH2 3.52Å; F50-W87 HydrophobicContact CG-CZ2 4.45Å; F50-W87 HydrophobicContact CG-CZ3 4.21Å; F50-W87 HydrophobicContact CZ-CH2 4.25Å; F50-W87 HydrophobicContact CZ-CZ3 4.01Å
51D92.4Very high90.6Very high142 Ų14252.3 Ų52.376%0.75928%0.275SS*.  trans-77.783.1172.3-166.522.6000109.7F49F49-D51 HydrophobicContact CE1-CB 4.08Å; F49-D51 HydrophobicContact CZ-CB 4.33Å
52R92.2Very high90.8Very high58 Ų5852.9 Ų52.922%0.21928%0.282CS..SBendtrans-150.6162.5-164.7-78.7-73.5158.7-175.8-2.2110.6V11 G12 F50 P54 E83 F86 W87V11-R52 HydrophobicContact CG1-CB 3.75Å; G12-R52 WeakPolarHBondContact CA-O 3.38Å; G12-R52 PolarHBondContact N-O 3.44Å; F50-R52 VanDerWaalsContact C-N 3.32Å; F50-R52 HydrophobicContact CB-CB 4.25Å; F50-R52 HydrophobicContact CB-CG 4.12Å; F50-R52 PolarHBondContact O-N 2.78Å; R52-P54 VanDerWaalsContact O-CD 3.25Å; R52-P54 WeakPolarHBondContact O-CD 3.24Å; R52-E83 WeakPolarHBondContact CD-OE1 3.26Å; R52-E83 WeakPolarHBondContact CD-OE2 3.25Å; R52-E83 IonicContact CZ-OE1 3.31Å; R52-E83 IonicContact NE-OE1 2.69Å; R52-E83 IonicContact NH1-OE1 3.59Å; R52-E83 PolarHBondContact NH1-OE1 2.81Å; R52-F86 HydrophobicContact CG-CD1 4.19Å; R52-F86 HydrophobicContact CG-CE1 3.77Å; R52-F86 HydrophobicContact CG-CZ 4.25Å; R52-F86 VanDerWaalsContact CZ-CD2 3.48Å; R52-W87 HydrophobicContact CB-CZ2 4.22Å; R52-W87 HydrophobicContact CG-CZ2 4.08Å
53H91.9Very high91.1Very high72 Ų7251.5 Ų51.533%0.33327%0.273SS..  trans-74.1109.2-172.6-170.3-89.6000113G55 V56 F57H53-G55 PolarHBondContact O-N 3.4Å; H53-V56 WeakPolarHBondContact ND1-CG2 3.41Å; H53-V56 PolarHBondContact ND1-N 3.42Å; H53-V56 PolarHBondContact O-N 3.35Å; H53-F57 PolarHBondContact O-N 3.19Å
54P91.4Very high91.5Very high31 Ų3146.8 Ų46.820%0.20124%0.242CC..Hα-helixtrans-66.8-33.2-168.824.7-33.6000113.8V11 I14 R52 V56 F57 N58V11-P54 WeakPolarHBondContact O-CB 3.35Å; I14-P54 HydrophobicContact CB-CB 4.09Å; I14-P54 HydrophobicContact CD1-CB 3.82Å; I14-P54 HydrophobicContact CD1-CG 4.13Å; I14-P54 HydrophobicContact CG1-CB 3.89Å; I14-P54 HydrophobicContact CG1-CG 4.32Å; R52-P54 VanDerWaalsContact O-CD 3.25Å; R52-P54 WeakPolarHBondContact O-CD 3.24Å; P54-V56 VanDerWaalsContact C-N 3.29Å; P54-V56 PolarHBondContact O-N 3.42Å; P54-F57 PolarHBondContact O-N 3.04Å; P54-N58 PolarHBondContact O-N 3.35Å
55G90.4Very high91.8Very high31 Ų3144.9 Ų44.932%0.3223%0.225SC..Hα-helixtrans-62.1-36.8178.700000112.9H53H53-G55 PolarHBondContact O-N 3.4Å
56V92.7Very high92.1Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-76.9-35.7179.1172.90000110.3H53 P54 N58 Q59 I60 P72 V75 F80 E83H53-V56 WeakPolarHBondContact ND1-CG2 3.41Å; H53-V56 PolarHBondContact ND1-N 3.42Å; H53-V56 PolarHBondContact O-N 3.35Å; P54-V56 VanDerWaalsContact C-N 3.29Å; P54-V56 PolarHBondContact O-N 3.42Å; V56-N58 VanDerWaalsContact C-N 3.28Å; V56-N58 PolarHBondContact O-N 2.98Å; V56-Q59 PolarHBondContact O-N 2.96Å; V56-I60 HydrophobicContact CG1-CD1 3.72Å; V56-I60 PolarHBondContact O-N 3.19Å; V56-I60 VanDerWaalsContact O-N 3.16Å; V56-P72 HydrophobicContact CG2-CG 4.5Å; V56-V75 HydrophobicContact CG2-CB 4.33Å; V56-V75 HydrophobicContact CG2-CG1 3.76Å; V56-V75 HydrophobicContact CG2-CG2 3.78Å; V56-F80 HydrophobicContact CG1-CD2 3.73Å; V56-F80 HydrophobicContact CG1-CE2 4.12Å; V56-F80 HydrophobicContact CG2-CD2 4.48Å; V56-E83 HydrophobicContact CB-CG 4.29Å; V56-E83 HydrophobicContact CG1-CB 3.68Å; V56-E83 HydrophobicContact CG1-CG 3.83Å
57F94.1Very high92.3Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-60.6-33.2178.9-168.9-99.5000114L9 V11 H16 L31 H53 P54 Q59 I60 L61 W87L9-F57 HydrophobicContact CB-CE1 4.33Å; L9-F57 HydrophobicContact CB-CZ 4.35Å; L9-F57 HydrophobicContact CD1-CE1 4.22Å; L9-F57 HydrophobicContact CD1-CZ 3.73Å; V11-F57 HydrophobicContact CB-CB 4.3Å; V11-F57 HydrophobicContact CB-CD1 4.14Å; V11-F57 HydrophobicContact CB-CG 4.08Å; V11-F57 HydrophobicContact CG1-CB 3.84Å; V11-F57 HydrophobicContact CG1-CD1 4.48Å; V11-F57 HydrophobicContact CG1-CD2 4.23Å; V11-F57 HydrophobicContact CG1-CG 3.92Å; V11-F57 HydrophobicContact CG2-CB 4.49Å; V11-F57 HydrophobicContact CG2-CD1 3.62Å; V11-F57 HydrophobicContact CG2-CD2 3.98Å; V11-F57 HydrophobicContact CG2-CE1 3.76Å; V11-F57 HydrophobicContact CG2-CE2 4.1Å; V11-F57 HydrophobicContact CG2-CG 3.74Å; V11-F57 HydrophobicContact CG2-CZ 4Å; H16-F57 HydrophobicContact CB-CD1 4.38Å; H16-F57 HydrophobicContact CB-CE1 4.05Å; H16-F57 AromaticContact CD2-CD1 3.56Å; H16-F57 AromaticContact CD2-CE1 3.96Å; H16-F57 AromaticContact CE1-CD1 4Å; H16-F57 AromaticContact CG-CD1 3.78Å; H16-F57 AromaticContact CG-CE1 3.96Å; H16-F57 AromaticContact NE2-CD1 3.71Å; L31-F57 HydrophobicContact CD1-CE2 3.98Å; L31-F57 HydrophobicContact CD1-CZ 4.03Å; H53-F57 PolarHBondContact O-N 3.19Å; P54-F57 PolarHBondContact O-N 3.04Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 3.26Å; F57-I60 HydrophobicContact CD2-CG2 4.46Å; F57-I60 HydrophobicContact CE2-CG2 4.41Å; F57-I60 PolarHBondContact O-N 3.4Å; F57-L61 HydrophobicContact CD1-CB 4.5Å; F57-L61 HydrophobicContact CE1-CB 4.15Å; F57-L61 HydrophobicContact CE1-CD2 4.25Å; F57-L61 WeakPolarHBondContact O-CB 3.44Å; F57-L61 PolarHBondContact O-N 3.08Å; F57-W87 HydrophobicContact CD2-CD2 4.45Å; F57-W87 AromaticContact CD2-CE2 3.73Å; F57-W87 AromaticContact CD2-CH2 3.9Å; F57-W87 HydrophobicContact CD2-CH2 3.9Å; F57-W87 AromaticContact CD2-CZ2 3.42Å; F57-W87 HydrophobicContact CD2-CZ2 3.42Å; F57-W87 VanDerWaalsContact CD2-CZ2 3.42Å; F57-W87 HydrophobicContact CE2-CD2 4.29Å; F57-W87 AromaticContact CE2-CE2 3.95Å; F57-W87 HydrophobicContact CE2-CE3 4.29Å; F57-W87 AromaticContact CE2-CH2 3.57Å; F57-W87 HydrophobicContact CE2-CH2 3.57Å; F57-W87 AromaticContact CE2-CZ2 3.6Å; F57-W87 HydrophobicContact CE2-CZ2 3.6Å; F57-W87 AromaticContact CE2-CZ3 3.96Å; F57-W87 HydrophobicContact CE2-CZ3 3.96Å
58N92.3Very high92.3Very high70 Ų7046.5 Ų46.537%0.37425%0.245SC..Hα-helixtrans-55.7-42.3172.1-78.5-49.1000112.4H16 P54 V56 N62H16-N58 PolarHBondContact CE1-OD1 3Å; H16-N58 PolarHBondContact ND1-OD1 2.83Å; H16-N58 VanDerWaalsContact ND1-OD1 3.16Å; P54-N58 PolarHBondContact O-N 3.35Å; V56-N58 VanDerWaalsContact C-N 3.28Å; V56-N58 PolarHBondContact O-N 2.98Å; N58-N62 WeakPolarHBondContact O-CB 3.33Å; N58-N62 PolarHBondContact O-N 3.23Å; N58-N62 PolarHBondContact O-ND2 2.97Å
59Q91.8Very high92.4Very high32 Ų3245.8 Ų45.815%0.1524%0.242CC..Hα-helixtrans-74.4-34.9-178.9-174.649.367.300112.2V56 F57 N62 Y63 H70 F80V56-Q59 PolarHBondContact O-N 2.96Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 3.26Å; Q59-N62 PolarHBondContact O-N 2.96Å; Q59-Y63 PolarHBondContact O-N 2.79Å; Q59-Y63 VanDerWaalsContact O-N 3.11Å; Q59-H70 WeakPolarHBondContact CG-O 3.36Å; Q59-F80 HydrophobicContact CG-CE2 4.4Å
60I93.5Very high92.4Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-63.2-49.1170.5-71.1151.2000110.8V56 F57 N62 Y63 Y64 E83 L84 W87 L89V56-I60 HydrophobicContact CG1-CD1 3.72Å; V56-I60 PolarHBondContact O-N 3.19Å; V56-I60 VanDerWaalsContact O-N 3.16Å; F57-I60 HydrophobicContact CD2-CG2 4.46Å; F57-I60 HydrophobicContact CE2-CG2 4.41Å; F57-I60 PolarHBondContact O-N 3.4Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 2.65Å; I60-Y63 WeakPolarHBondContact O-CB 3.39Å; I60-Y63 PolarHBondContact O-N 3.36Å; I60-Y64 HydrophobicContact CG2-CE2 3.97Å; I60-Y64 VanDerWaalsContact O-CD2 3.26Å; I60-Y64 WeakPolarHBondContact O-CD2 2.91Å; I60-Y64 PolarHBondContact O-N 3.35Å; I60-E83 HydrophobicContact CD1-CB 4.28Å; I60-L84 HydrophobicContact CG1-CD2 4.47Å; I60-W87 HydrophobicContact CD1-CG 4.17Å; I60-W87 HydrophobicContact CG2-CG 4.35Å; I60-L89 HydrophobicContact CG1-CD1 4.32Å; I60-L89 HydrophobicContact CG2-CD1 4.05Å
61L93.2Very high92.3Very high1 Ų145 Ų451%0.00524%0.239CC..Hα-helixtrans-63.5-35179.1-177.358.3000111.8H16 T18 L23 F57 Y63 Y64 R65H16-L61 HydrophobicContact CB-CD2 3.8Å; T18-L61 HydrophobicContact CG2-CD1 4.31Å; L23-L61 HydrophobicContact CD2-CD1 4.37Å; F57-L61 HydrophobicContact CD1-CB 4.5Å; F57-L61 HydrophobicContact CE1-CB 4.15Å; F57-L61 HydrophobicContact CE1-CD2 4.25Å; F57-L61 WeakPolarHBondContact O-CB 3.44Å; F57-L61 PolarHBondContact O-N 3.08Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y64 PolarHBondContact O-N 3.38Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.3Å
62N92.3Very high92.3Very high59 Ų5939 Ų3932%0.31621%0.208SC..Hα-helixtrans-63.8-35.7172.2-74.7-15.5000112.5N58 Q59 I60 Y64 R65 T66N58-N62 WeakPolarHBondContact O-CB 3.33Å; N58-N62 PolarHBondContact O-N 3.23Å; N58-N62 PolarHBondContact O-ND2 2.97Å; Q59-N62 PolarHBondContact O-N 2.96Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 2.65Å; N62-Y64 PolarHBondContact O-N 2.91Å; N62-R65 CarbonylContact O-C 3.54Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 WeakPolarHBondContact O-CB 3.47Å; N62-R65 PolarHBondContact O-N 3.09Å; N62-R65 PolarHBondContact OD1-NH1 2.8Å; N62-T66 PolarHBondContact O-N 2.86Å; N62-T66 PolarHBondContact O-OG1 3.09Å
63Y94.1Very high92.1Very high20 Ų2042.2 Ų42.28%0.07823%0.234CC..Hα-helixtrans-59.3-41.7173.6177.4-126.3000112.7I26 Q59 I60 L61 R65 G67 L69 L89 Q93I26-Y63 HydrophobicContact CD1-CD1 3.62Å; I26-Y63 HydrophobicContact CD1-CE1 3.36Å; I26-Y63 HydrophobicContact CD1-CE2 4.43Å; I26-Y63 HydrophobicContact CD1-CG 4.27Å; Q59-Y63 PolarHBondContact O-N 2.79Å; Q59-Y63 VanDerWaalsContact O-N 3.11Å; I60-Y63 WeakPolarHBondContact O-CB 3.39Å; I60-Y63 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.95Å; Y63-G67 WeakPolarHBondContact CE2-O 3.37Å; Y63-G67 VanDerWaalsContact O-CA 3.24Å; Y63-G67 WeakPolarHBondContact O-CA 3.26Å; Y63-G67 PolarHBondContact O-N 2.92Å; Y63-L69 HydrophobicContact CD2-CB 3.66Å; Y63-L69 HydrophobicContact CE2-CB 4.04Å; Y63-L69 HydrophobicContact CG-CB 4.02Å; Y63-L69 HydrophobicContact CG-CD1 4.24Å; Y63-L89 HydrophobicContact CD1-CD1 3.86Å; Y63-L89 HydrophobicContact CD1-CD2 4.13Å; Y63-L89 HydrophobicContact CE1-CD1 4.31Å; Y63-L89 HydrophobicContact CE1-CD2 3.94Å; Y63-Q93 HydrophobicContact CE2-CB 4.47Å; Y63-Q93 WeakPolarHBondContact OH-CG 3.39Å; Y63-Q93 PolarHBondContact OH-OE1 3.4Å
64Y92.9Very high91.9Very high1 Ų145.1 Ų45.10%0.00425%0.252CS..Hα-helixtrans-66.1-31172.2-67-96.9000112.7K25 I26 T29 L31 I60 L61 N62K25-Y64 WeakPolarHBondContact CD-O 3.47Å; K25-Y64 PolarHBondContact NZ-O 3.11Å; I26-Y64 HydrophobicContact CB-CD1 4.21Å; I26-Y64 HydrophobicContact CB-CE1 3.97Å; I26-Y64 HydrophobicContact CD1-CD1 4.09Å; I26-Y64 HydrophobicContact CD1-CE1 4.32Å; I26-Y64 HydrophobicContact CD1-CG 4.38Å; I26-Y64 HydrophobicContact CG1-CD1 4.07Å; I26-Y64 HydrophobicContact CG1-CE1 4.3Å; T29-Y64 WeakPolarHBondContact CB-OH 3.47Å; T29-Y64 HydrophobicContact CG2-CE1 4.37Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.38Å; T29-Y64 PolarHBondContact OG1-OH 3.5Å; L31-Y64 HydrophobicContact CB-CE1 4.33Å; L31-Y64 HydrophobicContact CD1-CD2 4.28Å; L31-Y64 HydrophobicContact CD1-CE2 3.7Å; I60-Y64 HydrophobicContact CG2-CE2 3.97Å; I60-Y64 VanDerWaalsContact O-CD2 3.26Å; I60-Y64 WeakPolarHBondContact O-CD2 2.91Å; I60-Y64 PolarHBondContact O-N 3.35Å; L61-Y64 PolarHBondContact O-N 3.38Å; N62-Y64 PolarHBondContact O-N 2.91Å
65R93Very high91.8Very high111 Ų11144.5 Ų44.542%0.41925%0.247SC..Hα-helixtrans-72.5-52.1178.3-69.2166.8174.2170.3-5.2111.3E17 T22 K25 L61 N62 Y63E17-R65 PolarHBondContact O-NH2 2.98Å; T22-R65 HydrophobicContact CG2-CG 4.03Å; K25-R65 PolarHBondContact NZ-O 2.73Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.3Å; N62-R65 CarbonylContact O-C 3.54Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 WeakPolarHBondContact O-CB 3.47Å; N62-R65 PolarHBondContact O-N 3.09Å; N62-R65 PolarHBondContact OD1-NH1 2.8Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.95Å
66T92.4Very high91.6Very high91 Ų9146.6 Ų46.656%0.55826%0.256SS*.Hα-helixtrans-96.2-24-170.262.30000115N62 K68N62-T66 PolarHBondContact O-N 2.86Å; N62-T66 PolarHBondContact O-OG1 3.09Å; T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact OG1-N 3.18Å; T66-K68 PolarHBondContact OG1-O 3.2Å
67G90.2Very high91.4Very high48 Ų4846.9 Ų46.950%0.49526%0.259SS..SBendtrans77.94.4-165.200000114.5Y63Y63-G67 WeakPolarHBondContact CE2-O 3.37Å; Y63-G67 VanDerWaalsContact O-CA 3.24Å; Y63-G67 WeakPolarHBondContact O-CA 3.26Å; Y63-G67 PolarHBondContact O-N 2.92Å
68K91.8Very high91Very high95 Ų9548.7 Ų48.741%0.41327%0.271SS..  trans-121.1123.2-175.1-64.8-168.3158.3-80.20112T66 E95T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact OG1-N 3.18Å; T66-K68 PolarHBondContact OG1-O 3.2Å; K68-E95 HydrophobicContact CB-CG 3.87Å; K68-E95 HydrophobicContact CG-CG 4.37Å; K68-E95 VanDerWaalsContact CG-OE1 3.26Å; K68-E95 WeakPolarHBondContact CG-OE1 3.02Å; K68-E95 IonicContact NZ-OE1 3.2Å; K68-E95 PolarHBondContact NZ-OE1 3.29Å; K68-E95 IonicContact NZ-OE2 2.74Å; K68-E95 PolarHBondContact NZ-OE2 3.42Å
69L92.9Very high90.9Very high0 Ų047.7 Ų47.70%027%0.265CS..BIsolated β-bridgetrans-101.2110.2-177.8-177.164.7000110.2Y63 F80 L84 Q93 V94 E95Y63-L69 HydrophobicContact CD2-CB 3.66Å; Y63-L69 HydrophobicContact CE2-CB 4.04Å; Y63-L69 HydrophobicContact CG-CB 4.02Å; Y63-L69 HydrophobicContact CG-CD1 4.24Å; L69-F80 HydrophobicContact CD1-CZ 4.13Å; L69-F80 HydrophobicContact CG-CZ 4.42Å; L69-L84 HydrophobicContact CD1-CD2 4.24Å; L69-L84 HydrophobicContact CD2-CD1 4.18Å; L69-L84 HydrophobicContact CD2-CD2 3.9Å; L69-Q93 HydrophobicContact CD2-CB 4.39Å; L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.12Å; L69-V94 WeakPolarHBondContact O-CA 3.48Å; L69-E95 PolarHBondContact O-N 3.38Å
70H92.4Very high90.9Very high62 Ų6246.2 Ų46.229%0.28726%0.258SS..PPolyproline II helixtrans-97.9164.8173.5-63.6-71.9000111Q59 F80 C98Q59-H70 WeakPolarHBondContact CG-O 3.36Å; H70-F80 WeakPolarHBondContact O-CZ 3.13Å; H70-C98 VanDerWaalsContact CB-SG 3.6Å; H70-C98 PolarHBondContact ND1-SG 2.82Å
71Y91.5Very high90.7Very high21 Ų2148.7 Ų48.78%0.08227%0.27CS..PPolyproline II helixtrans-102.8126.7179179.9-88.5000110.9T73 V75 G77 F80 C98 T101 Y102Y71-T73 PolarHBondContact O-N 3.16Å; Y71-V75 PolarHBondContact OH-O 2.9Å; Y71-G77 WeakPolarHBondContact OH-CA 3.47Å; Y71-G77 PolarHBondContact OH-N 3.1Å; Y71-F80 HydrophobicContact CD2-CB 4.44Å; Y71-F80 AromaticContact CD2-CD1 3.55Å; Y71-F80 HydrophobicContact CD2-CD1 3.55Å; Y71-F80 AromaticContact CD2-CE1 3.85Å; Y71-F80 HydrophobicContact CD2-CE1 3.85Å; Y71-F80 AromaticContact CD2-CG 3.98Å; Y71-F80 HydrophobicContact CD2-CG 3.98Å; Y71-F80 HydrophobicContact CE2-CB 3.84Å; Y71-F80 AromaticContact CE2-CD1 3.79Å; Y71-F80 HydrophobicContact CE2-CD1 3.79Å; Y71-F80 AromaticContact CE2-CG 3.89Å; Y71-F80 HydrophobicContact CE2-CG 3.89Å; Y71-C98 PolarHBondContact N-SG 3.16Å; Y71-T101 HydrophobicContact CD1-CG2 3.74Å; Y71-T101 HydrophobicContact CE1-CG2 3.88Å; Y71-Y102 AromaticContact CD2-CD2 3.84Å; Y71-Y102 HydrophobicContact CD2-CD2 3.84Å; Y71-Y102 HydrophobicContact CD2-CG 4.26Å; Y71-Y102 AromaticContact CE2-CD2 3.95Å; Y71-Y102 HydrophobicContact CE2-CD2 3.95Å
72P91.4Very high90.6Very high17 Ų1751.6 Ų51.611%0.1128%0.283CS..PPolyproline II helixtrans-77119.3178.328.9-30.6000111.8V56 D74 V75 F80V56-P72 HydrophobicContact CG2-CG 4.5Å; P72-D74 VanDerWaalsContact C-N 3.28Å; P72-D74 PolarHBondContact O-N 3.28Å; P72-V75 HydrophobicContact CB-CB 4.46Å; P72-V75 HydrophobicContact CB-CG2 4.02Å; P72-V75 HydrophobicContact CG-CB 4.02Å; P72-V75 HydrophobicContact CG-CG2 3.88Å; P72-V75 PolarHBondContact O-N 3.11Å; P72-F80 HydrophobicContact CG-CD2 3.75Å; P72-F80 HydrophobicContact CG-CE2 3.9Å
73T87.2Confident90.6Very high125 Ų12549 Ų4977%0.76727%0.269SS*.THydrogen-bonded Turntrans-75.3-9.9-171.351.50000115.1Y71Y71-T73 PolarHBondContact O-N 3.16Å
74D89.3Confident90.5Very high133 Ų13348.1 Ų48.171%0.71127%0.266SS*.THydrogen-bonded Turntrans-88.8-8.4174.760.8-46.7000113.6P72P72-D74 VanDerWaalsContact C-N 3.28Å; P72-D74 PolarHBondContact O-N 3.28Å
75V87.9Confident90.5Very high17 Ų1755.7 Ų55.710%0.10330%0.301CS..SBendtrans-108.2154.6-176.4-175.60000110.5V56 Y71 P72 L79V56-V75 HydrophobicContact CG2-CB 4.33Å; V56-V75 HydrophobicContact CG2-CG1 3.76Å; V56-V75 HydrophobicContact CG2-CG2 3.78Å; Y71-V75 PolarHBondContact OH-O 2.9Å; P72-V75 HydrophobicContact CB-CB 4.46Å; P72-V75 HydrophobicContact CB-CG2 4.02Å; P72-V75 HydrophobicContact CG-CB 4.02Å; P72-V75 HydrophobicContact CG-CG2 3.88Å; P72-V75 PolarHBondContact O-N 3.11Å; V75-L79 HydrophobicContact CG1-CB 4.17Å; V75-L79 HydrophobicContact CG1-CD2 4.07Å; V75-L79 HydrophobicContact CG1-CG 4.11Å
76C87.7Confident90.4Very high76 Ų7652.2 Ų52.251%0.51429%0.29SS..  trans-88.6145.3173.164.40000112.5L79 F80C76-L79 PolarHBondContact O-N 3.33Å; C76-L79 VanDerWaalsContact O-N 3.11Å; C76-L79 VanDerWaalsContact SG-CB 3.58Å; C76-F80 PolarHBondContact O-N 3.02Å
77G87.1Confident90.4Very high5 Ų547.9 Ų47.95%0.05226%0.263CS..Hα-helixtrans-52.5-45.4-172.600000115.7Y71 L79 F80 E81Y71-G77 WeakPolarHBondContact OH-CA 3.47Å; Y71-G77 PolarHBondContact OH-N 3.1Å; G77-L79 PolarHBondContact O-N 3.28Å; G77-F80 PolarHBondContact O-N 3.47Å; G77-E81 PolarHBondContact O-N 3.39Å
78P87.2Confident90.4Very high39 Ų3947.7 Ų47.725%0.25326%0.261SS..Hα-helixtrans-61.6-43177.4-25.235.7000113.3F80 E81 E82P78-F80 VanDerWaalsContact C-N 3.26Å; P78-F80 PolarHBondContact O-N 2.83Å; P78-E81 WeakPolarHBondContact O-CB 3.5Å; P78-E81 PolarHBondContact O-N 2.97Å; P78-E81 VanDerWaalsContact O-N 3.1Å; P78-E82 WeakPolarHBondContact O-CB 3.39Å; P78-E82 VanDerWaalsContact O-CG 3.27Å; P78-E82 WeakPolarHBondContact O-CG 3.26Å; P78-E82 PolarHBondContact O-N 3.14Å
79L89.7Confident90.4Very high49 Ų4944 Ų4426%0.25725%0.246SC..Hα-helixtrans-65.1-31.5178.2177.558.1000112V75 C76 G77 E83V75-L79 HydrophobicContact CG1-CB 4.17Å; V75-L79 HydrophobicContact CG1-CD2 4.07Å; V75-L79 HydrophobicContact CG1-CG 4.11Å; C76-L79 PolarHBondContact O-N 3.33Å; C76-L79 VanDerWaalsContact O-N 3.11Å; C76-L79 VanDerWaalsContact SG-CB 3.58Å; G77-L79 PolarHBondContact O-N 3.28Å; L79-E83 WeakPolarHBondContact O-CG 3.35Å; L79-E83 PolarHBondContact O-N 3.16Å
80F92Very high90.2Very high0 Ų047.7 Ų47.70%027%0.265CS..Hα-helixtrans-70.2-41.5172.1-172.4-110.2000111.7V56 Q59 L69 H70 Y71 P72 C76 G77 P78 E83 L84 V94 Y102V56-F80 HydrophobicContact CG1-CD2 3.73Å; V56-F80 HydrophobicContact CG1-CE2 4.12Å; V56-F80 HydrophobicContact CG2-CD2 4.48Å; Q59-F80 HydrophobicContact CG-CE2 4.4Å; L69-F80 HydrophobicContact CD1-CZ 4.13Å; L69-F80 HydrophobicContact CG-CZ 4.42Å; H70-F80 WeakPolarHBondContact O-CZ 3.13Å; Y71-F80 HydrophobicContact CD2-CB 4.44Å; Y71-F80 AromaticContact CD2-CD1 3.55Å; Y71-F80 HydrophobicContact CD2-CD1 3.55Å; Y71-F80 AromaticContact CD2-CE1 3.85Å; Y71-F80 HydrophobicContact CD2-CE1 3.85Å; Y71-F80 AromaticContact CD2-CG 3.98Å; Y71-F80 HydrophobicContact CD2-CG 3.98Å; Y71-F80 HydrophobicContact CE2-CB 3.84Å; Y71-F80 AromaticContact CE2-CD1 3.79Å; Y71-F80 HydrophobicContact CE2-CD1 3.79Å; Y71-F80 AromaticContact CE2-CG 3.89Å; Y71-F80 HydrophobicContact CE2-CG 3.89Å; P72-F80 HydrophobicContact CG-CD2 3.75Å; P72-F80 HydrophobicContact CG-CE2 3.9Å; C76-F80 PolarHBondContact O-N 3.02Å; G77-F80 PolarHBondContact O-N 3.47Å; P78-F80 VanDerWaalsContact C-N 3.26Å; P78-F80 PolarHBondContact O-N 2.83Å; F80-E83 PolarHBondContact O-N 2.68Å; F80-L84 HydrophobicContact CD1-CD1 3.97Å; F80-L84 HydrophobicContact CD1-CG 4.31Å; F80-L84 HydrophobicContact CE1-CD1 3.66Å; F80-L84 HydrophobicContact CE1-CD2 4.4Å; F80-L84 HydrophobicContact CE1-CG 4.12Å; F80-L84 HydrophobicContact CZ-CD1 4.29Å; F80-L84 HydrophobicContact CZ-CD2 4.21Å; F80-L84 HydrophobicContact CZ-CG 4.37Å; F80-L84 WeakPolarHBondContact O-CG 3.47Å; F80-L84 PolarHBondContact O-N 2.69Å; F80-V94 HydrophobicContact CE1-CG2 4.29Å; F80-Y102 HydrophobicContact CD1-CD2 4Å; F80-Y102 HydrophobicContact CD1-CE2 4.1Å
81E89.6Confident90Very high52 Ų5245.3 Ų45.324%0.24326%0.257CS..Hα-helixtrans-64.1-44.6176.5-174.7166.4-107.800112.6G77 P78 E83 L84 E85 Y102 H105 R106G77-E81 PolarHBondContact O-N 3.39Å; P78-E81 WeakPolarHBondContact O-CB 3.5Å; P78-E81 PolarHBondContact O-N 2.97Å; P78-E81 VanDerWaalsContact O-N 3.1Å; E81-E83 VanDerWaalsContact C-N 3.29Å; E81-E83 PolarHBondContact O-N 3.28Å; E81-L84 PolarHBondContact O-N 3.36Å; E81-E85 PolarHBondContact O-N 3.35Å; E81-Y102 HydrophobicContact CB-CE2 4.5Å; E81-Y102 PolarHBondContact OE1-OH 3.49Å; E81-H105 IonicContact OE2-NE2 2.65Å; E81-R106 IonicContact OE1-CZ 3.58Å; E81-R106 VanDerWaalsContact OE1-CZ 3.27Å; E81-R106 IonicContact OE1-NE 3.4Å; E81-R106 PolarHBondContact OE1-NE 3.13Å; E81-R106 IonicContact OE1-NH2 2.78Å; E81-R106 PolarHBondContact OE1-NH2 3.43Å
82E90.3Very high89.8Confident62 Ų6249.1 Ų49.129%0.2928%0.279SS..Hα-helixtrans-56.8-39.1173.7-72.3169.7-134.500112.7P78 F86 V509P78-E82 WeakPolarHBondContact O-CB 3.39Å; P78-E82 VanDerWaalsContact O-CG 3.27Å; P78-E82 WeakPolarHBondContact O-CG 3.26Å; P78-E82 PolarHBondContact O-N 3.14Å; E82-F86 WeakPolarHBondContact O-CB 3.49Å; E82-F86 PolarHBondContact O-N 3.09Å; E82-F86 VanDerWaalsContact O-N 3.09Å; E82-V509 VanDerWaalsContact CD-CG1 3.44Å; E82-V509 HydrophobicContact CG-CG1 3.96Å; E82-V509 HydrophobicContact CG-CG2 4.28Å; E82-V509 WeakPolarHBondContact OE1-CG2 3.38Å; E82-V509 WeakPolarHBondContact OE2-CG1 3.23Å
83E92.8Very high89.7Confident5 Ų552.9 Ų52.92%0.02330%0.295CS..Hα-helixtrans-71.7-47.1174.7-74.4-66.4126.700111.2R52 V56 I60 L79 F80 E81 E85 F86 W87R52-E83 WeakPolarHBondContact CD-OE1 3.26Å; R52-E83 WeakPolarHBondContact CD-OE2 3.25Å; R52-E83 IonicContact CZ-OE1 3.31Å; R52-E83 IonicContact NE-OE1 2.69Å; R52-E83 IonicContact NH1-OE1 3.59Å; R52-E83 PolarHBondContact NH1-OE1 2.81Å; V56-E83 HydrophobicContact CB-CG 4.29Å; V56-E83 HydrophobicContact CG1-CB 3.68Å; V56-E83 HydrophobicContact CG1-CG 3.83Å; I60-E83 HydrophobicContact CD1-CB 4.28Å; L79-E83 WeakPolarHBondContact O-CG 3.35Å; L79-E83 PolarHBondContact O-N 3.16Å; F80-E83 PolarHBondContact O-N 2.68Å; E81-E83 VanDerWaalsContact C-N 3.29Å; E81-E83 PolarHBondContact O-N 3.28Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E83-E85 PolarHBondContact O-N 3.38Å; E83-F86 PolarHBondContact O-N 2.67Å; E83-F86 VanDerWaalsContact O-N 3.11Å; E83-W87 PolarHBondContact O-N 2.83Å; E83-W87 PolarHBondContact OE2-NE1 3.35Å
84L92.1Very high89.9Confident2 Ų247.4 Ų47.41%0.0126%0.261CS..Hα-helixtrans-55.3-46.5177-69.8-177000111.7I60 L69 F80 E81 W87 G88 L89I60-L84 HydrophobicContact CG1-CD2 4.47Å; L69-L84 HydrophobicContact CD1-CD2 4.24Å; L69-L84 HydrophobicContact CD2-CD1 4.18Å; L69-L84 HydrophobicContact CD2-CD2 3.9Å; F80-L84 HydrophobicContact CD1-CD1 3.97Å; F80-L84 HydrophobicContact CD1-CG 4.31Å; F80-L84 HydrophobicContact CE1-CD1 3.66Å; F80-L84 HydrophobicContact CE1-CD2 4.4Å; F80-L84 HydrophobicContact CE1-CG 4.12Å; F80-L84 HydrophobicContact CZ-CD1 4.29Å; F80-L84 HydrophobicContact CZ-CD2 4.21Å; F80-L84 HydrophobicContact CZ-CG 4.37Å; F80-L84 WeakPolarHBondContact O-CG 3.47Å; F80-L84 PolarHBondContact O-N 2.69Å; E81-L84 PolarHBondContact O-N 3.36Å; L84-W87 PolarHBondContact O-N 3.21Å; L84-G88 PolarHBondContact O-N 2.96Å; L84-L89 HydrophobicContact CB-CB 4.36Å; L84-L89 HydrophobicContact CD2-CB 3.95Å; L84-L89 HydrophobicContact CD2-CD1 3.87Å; L84-L89 PolarHBondContact O-N 3.36Å
85E92Very high90Very high159 Ų15943 Ų4374%0.74324%0.236SC*.Hα-helixtrans-59.4-48.1174.7-174.1-178.3-166.700111.2E81 E83 W87 G88E81-E85 PolarHBondContact O-N 3.35Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E83-E85 PolarHBondContact O-N 3.38Å; E85-W87 VanDerWaalsContact C-N 3.35Å; E85-W87 PolarHBondContact O-N 2.82Å; E85-G88 PolarHBondContact O-N 2.73Å; E85-G88 VanDerWaalsContact O-N 3.08Å
86F91.8Very high90.2Very high39 Ų3947.5 Ų47.517%0.17127%0.266CS..Hα-helixtrans-57.8-44.9178.8173.7-100.7000112.5R30 F50 R52 E82 E83 G88R30-F86 VanDerWaalsContact CZ-O 3.23Å; R30-F86 PolarHBondContact NE-O 3.33Å; R30-F86 VanDerWaalsContact NH2-CD2 3.35Å; R30-F86 PolarHBondContact NH2-O 2.79Å; F50-F86 HydrophobicContact CD1-CE1 4.38Å; F50-F86 HydrophobicContact CD1-CZ 4.36Å; R52-F86 HydrophobicContact CG-CD1 4.19Å; R52-F86 HydrophobicContact CG-CE1 3.77Å; R52-F86 HydrophobicContact CG-CZ 4.25Å; R52-F86 VanDerWaalsContact CZ-CD2 3.48Å; E82-F86 WeakPolarHBondContact O-CB 3.49Å; E82-F86 PolarHBondContact O-N 3.09Å; E82-F86 VanDerWaalsContact O-N 3.09Å; E83-F86 PolarHBondContact O-N 2.67Å; E83-F86 VanDerWaalsContact O-N 3.11Å; F86-G88 PolarHBondContact O-N 3.3Å
87W92.1Very high90.3Very high0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-77.3-9.2-179.9-63.3107.6000113.5V11 R30 L31 F50 R52 F57 I60 E83 L84 E85 L89V11-W87 HydrophobicContact CG1-CZ2 4.49Å; R30-W87 HydrophobicContact CB-CE3 4.46Å; R30-W87 WeakPolarHBondContact CB-O 3.42Å; R30-W87 PolarHBondContact N-O 3.37Å; L31-W87 HydrophobicContact CD1-CE3 4.39Å; L31-W87 HydrophobicContact CD2-CE3 3.88Å; L31-W87 HydrophobicContact CD2-CH2 4.49Å; L31-W87 HydrophobicContact CD2-CZ3 3.52Å; L31-W87 HydrophobicContact CG-CE3 3.87Å; L31-W87 HydrophobicContact CG-CZ3 4.06Å; F50-W87 HydrophobicContact CB-CH2 3.97Å; F50-W87 HydrophobicContact CB-CZ2 4.46Å; F50-W87 AromaticContact CD1-CH2 3.57Å; F50-W87 HydrophobicContact CD1-CH2 3.57Å; F50-W87 AromaticContact CD1-CZ3 3.89Å; F50-W87 HydrophobicContact CD1-CZ3 3.89Å; F50-W87 AromaticContact CD2-CH2 3.85Å; F50-W87 HydrophobicContact CD2-CH2 3.85Å; F50-W87 HydrophobicContact CD2-CZ3 4.41Å; F50-W87 AromaticContact CE1-CH2 3.95Å; F50-W87 HydrophobicContact CE1-CH2 3.95Å; F50-W87 AromaticContact CE1-CZ3 3.79Å; F50-W87 HydrophobicContact CE1-CZ3 3.79Å; F50-W87 HydrophobicContact CE2-CH2 4.19Å; F50-W87 HydrophobicContact CE2-CZ3 4.31Å; F50-W87 AromaticContact CG-CH2 3.52Å; F50-W87 HydrophobicContact CG-CH2 3.52Å; F50-W87 HydrophobicContact CG-CZ2 4.45Å; F50-W87 HydrophobicContact CG-CZ3 4.21Å; F50-W87 HydrophobicContact CZ-CH2 4.25Å; F50-W87 HydrophobicContact CZ-CZ3 4.01Å; R52-W87 HydrophobicContact CB-CZ2 4.22Å; R52-W87 HydrophobicContact CG-CZ2 4.08Å; F57-W87 HydrophobicContact CD2-CD2 4.45Å; F57-W87 AromaticContact CD2-CE2 3.73Å; F57-W87 AromaticContact CD2-CH2 3.9Å; F57-W87 HydrophobicContact CD2-CH2 3.9Å; F57-W87 AromaticContact CD2-CZ2 3.42Å; F57-W87 HydrophobicContact CD2-CZ2 3.42Å; F57-W87 VanDerWaalsContact CD2-CZ2 3.42Å; F57-W87 HydrophobicContact CE2-CD2 4.29Å; F57-W87 AromaticContact CE2-CE2 3.95Å; F57-W87 HydrophobicContact CE2-CE3 4.29Å; F57-W87 AromaticContact CE2-CH2 3.57Å; F57-W87 HydrophobicContact CE2-CH2 3.57Å; F57-W87 AromaticContact CE2-CZ2 3.6Å; F57-W87 HydrophobicContact CE2-CZ2 3.6Å; F57-W87 AromaticContact CE2-CZ3 3.96Å; F57-W87 HydrophobicContact CE2-CZ3 3.96Å; I60-W87 HydrophobicContact CD1-CG 4.17Å; I60-W87 HydrophobicContact CG2-CG 4.35Å; E83-W87 PolarHBondContact O-N 2.83Å; E83-W87 PolarHBondContact OE2-NE1 3.35Å; L84-W87 PolarHBondContact O-N 3.21Å; E85-W87 VanDerWaalsContact C-N 3.35Å; E85-W87 PolarHBondContact O-N 2.82Å; W87-L89 HydrophobicContact CB-CG 4.38Å
88G89.5Confident90.5Very high44 Ų4449 Ų4945%0.45428%0.275SS..THydrogen-bonded Turntrans75.244.2-179.300000112.3L84 E85 F86L84-G88 PolarHBondContact O-N 2.96Å; E85-G88 PolarHBondContact O-N 2.73Å; E85-G88 VanDerWaalsContact O-N 3.08Å; F86-G88 PolarHBondContact O-N 3.3Å
89L91.2Very high90.6Very high17 Ų1751.5 Ų51.59%0.08928%0.279CS..  trans-111.2139.8175.7-61.4-173.3000110.3T29 I60 Y63 L84 W87T29-L89 HydrophobicContact CG2-CD2 3.65Å; I60-L89 HydrophobicContact CG1-CD1 4.32Å; I60-L89 HydrophobicContact CG2-CD1 4.05Å; Y63-L89 HydrophobicContact CD1-CD1 3.86Å; Y63-L89 HydrophobicContact CD1-CD2 4.13Å; Y63-L89 HydrophobicContact CE1-CD1 4.31Å; Y63-L89 HydrophobicContact CE1-CD2 3.94Å; L84-L89 HydrophobicContact CB-CB 4.36Å; L84-L89 HydrophobicContact CD2-CB 3.95Å; L84-L89 HydrophobicContact CD2-CD1 3.87Å; L84-L89 PolarHBondContact O-N 3.36Å; W87-L89 HydrophobicContact CB-CG 4.38Å
90D89.5Confident90.5Very high77 Ų7755.7 Ų55.741%0.41230%0.299SS..  trans-80.4126.9176175.517000111N92 Q93D90-N92 PolarHBondContact O-N 2.98Å; D90-N92 PolarHBondContact OD1-N 2.83Å; D90-N92 PolarHBondContact OD1-ND2 3.45Å; D90-N92 WeakPolarHBondContact OD2-CB 3.43Å; D90-N92 PolarHBondContact OD2-ND2 3.49Å; D90-Q93 HydrophobicContact CB-CG 4.04Å; D90-Q93 WeakPolarHBondContact O-CB 3.25Å; D90-Q93 WeakPolarHBondContact O-CG 3.47Å; D90-Q93 PolarHBondContact O-N 3.28Å; D90-Q93 VanDerWaalsContact O-N 3.09Å
91A87.7Confident90.4Very high13 Ų1359.1 Ų59.111%0.10732%0.321CS..G310 helixtrans-55-27.4173.900000113.8Q93 V94 Y102A91-Q93 PolarHBondContact O-N 3.27Å; A91-V94 WeakPolarHBondContact O-CG2 3.42Å; A91-V94 PolarHBondContact O-N 3.1Å; A91-Y102 HydrophobicContact CB-CE1 4.09Å; A91-Y102 VanDerWaalsContact CB-OH 3.25Å; A91-Y102 WeakPolarHBondContact CB-OH 3.31Å
92N87.4Confident90.4Very high101 Ų10156.7 Ų56.754%0.5431%0.309SS..G310 helixtrans-72.8-3.7179-52.8-60.2000113.6D90 V94D90-N92 PolarHBondContact O-N 2.98Å; D90-N92 PolarHBondContact OD1-N 2.83Å; D90-N92 PolarHBondContact OD1-ND2 3.45Å; D90-N92 WeakPolarHBondContact OD2-CB 3.43Å; D90-N92 PolarHBondContact OD2-ND2 3.49Å; N92-V94 VanDerWaalsContact C-N 3.35Å
93Q89.2Confident90.2Very high96 Ų9654.6 Ų54.645%0.44930%0.3SS..G310 helixtrans-86.90.7178-56.6-63.3-53.200113.8Y63 L69 D90 A91Y63-Q93 HydrophobicContact CE2-CB 4.47Å; Y63-Q93 WeakPolarHBondContact OH-CG 3.39Å; Y63-Q93 PolarHBondContact OH-OE1 3.4Å; L69-Q93 HydrophobicContact CD2-CB 4.39Å; D90-Q93 HydrophobicContact CB-CG 4.04Å; D90-Q93 WeakPolarHBondContact O-CB 3.25Å; D90-Q93 WeakPolarHBondContact O-CG 3.47Å; D90-Q93 PolarHBondContact O-N 3.28Å; D90-Q93 VanDerWaalsContact O-N 3.09Å; A91-Q93 PolarHBondContact O-N 3.27Å
94V91.1Very high89.9Confident9 Ų956.9 Ų56.96%0.05532%0.317CS..BIsolated β-bridgetrans-67.8130.1178.6174.70000110.9L69 F80 A91 N92 C98 W99 Y102L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.12Å; L69-V94 WeakPolarHBondContact O-CA 3.48Å; F80-V94 HydrophobicContact CE1-CG2 4.29Å; A91-V94 WeakPolarHBondContact O-CG2 3.42Å; A91-V94 PolarHBondContact O-N 3.1Å; N92-V94 VanDerWaalsContact C-N 3.35Å; V94-C98 HydrophobicContact CG1-CB 3.71Å; V94-W99 HydrophobicContact CB-CE3 4.24Å; V94-Y102 HydrophobicContact CG2-CD1 4.2Å; V94-Y102 HydrophobicContact CG2-CG 4.48Å
95E92Very high89.5Confident41 Ų4157.9 Ų57.919%0.19232%0.322CS..  trans-59.3144.7-179.4-75.5-86.8136.900112.6K68 L69 C97 C98 W99K68-E95 HydrophobicContact CB-CG 3.87Å; K68-E95 HydrophobicContact CG-CG 4.37Å; K68-E95 VanDerWaalsContact CG-OE1 3.26Å; K68-E95 WeakPolarHBondContact CG-OE1 3.02Å; K68-E95 IonicContact NZ-OE1 3.2Å; K68-E95 PolarHBondContact NZ-OE1 3.29Å; K68-E95 IonicContact NZ-OE2 2.74Å; K68-E95 PolarHBondContact NZ-OE2 3.42Å; L69-E95 PolarHBondContact O-N 3.38Å; E95-C97 PolarHBondContact O-N 2.85Å; E95-C98 WeakPolarHBondContact O-CA 3.43Å; E95-C98 PolarHBondContact O-N 3.23Å; E95-W99 PolarHBondContact O-N 3.46Å
96P91.2Very high89.1Confident112 Ų11254.2 Ų54.273%0.72730%0.301SS*.Hα-helixtrans-54.8-32.4-176-29.335.9000115.3C98 W99P96-C98 PolarHBondContact O-N 3.29Å; P96-W99 PolarHBondContact O-N 2.97Å
97C90.9Very high88.7Confident95 Ų9555.6 Ų55.664%0.64231%0.308SS*.Hα-helixtrans-67.7-19.5176.560.60000113.9E95E95-C97 PolarHBondContact O-N 2.85Å
98C91.2Very high88.3Confident18 Ų1857.2 Ų57.212%0.12232%0.318CS..Hα-helixtrans-106.9-17.8178.1-69.30000112.9H70 Y71 V94 E95 P96 M100 T101 Y102H70-C98 VanDerWaalsContact CB-SG 3.6Å; H70-C98 PolarHBondContact ND1-SG 2.82Å; Y71-C98 PolarHBondContact N-SG 3.16Å; V94-C98 HydrophobicContact CG1-CB 3.71Å; E95-C98 WeakPolarHBondContact O-CA 3.43Å; E95-C98 PolarHBondContact O-N 3.23Å; P96-C98 PolarHBondContact O-N 3.29Å; C98-M100 PolarHBondContact O-N 3.22Å; C98-T101 PolarHBondContact O-N 3.07Å; C98-Y102 PolarHBondContact O-N 2.85Å
99W89.5Confident87.9Confident91 Ų9158.4 Ų58.435%0.34531%0.312SS..Hα-helixtrans-50.9-51.2-175.4-176.2-100.9000113.2V94 E95 P96 T101 Y102 T103V94-W99 HydrophobicContact CB-CE3 4.24Å; E95-W99 PolarHBondContact O-N 3.46Å; P96-W99 PolarHBondContact O-N 2.97Å; W99-T101 VanDerWaalsContact C-N 3.35Å; W99-T101 PolarHBondContact O-N 2.95Å; W99-Y102 HydrophobicContact CZ3-CD1 4.46Å; W99-Y102 CarbonylContact O-C 3.59Å; W99-Y102 WeakPolarHBondContact O-CB 3.49Å; W99-Y102 PolarHBondContact O-N 2.99Å; W99-Y102 VanDerWaalsContact O-N 3.13Å; W99-T103 HydrophobicContact CD2-CG2 3.94Å; W99-T103 VanDerWaalsContact CE2-CG2 3.43Å; W99-T103 HydrophobicContact CG-CG2 4.33Å; W99-T103 HydrophobicContact CH2-CG2 4.3Å; W99-T103 HydrophobicContact CZ2-CG2 3.65Å; W99-T103 PolarHBondContact O-N 3.11Å; W99-T103 PolarHBondContact O-OG1 3.32Å
100M88Confident87.5Confident136 Ų13663.5 Ų63.567%0.6734%0.335SS*.Hα-helixtrans-62-40-176.7-161.167.967.800112.9C98 T103 S104C98-M100 PolarHBondContact O-N 3.22Å; M100-T103 PolarHBondContact O-OG1 2.81Å; M100-S104 WeakPolarHBondContact O-CB 3.42Å; M100-S104 PolarHBondContact O-N 3.45Å; M100-S104 VanDerWaalsContact O-N 3.13Å
101T89.2Confident87.1Confident73 Ų7360.3 Ų60.345%0.44832%0.319SS..Hα-helixtrans-68.5-38.2176.7-50.80000111Y71 C98 W99Y71-T101 HydrophobicContact CD1-CG2 3.74Å; Y71-T101 HydrophobicContact CE1-CG2 3.88Å; C98-T101 PolarHBondContact O-N 3.07Å; W99-T101 VanDerWaalsContact C-N 3.35Å; W99-T101 PolarHBondContact O-N 2.95Å
102Y89.1Confident86.5Confident0 Ų061.7 Ų61.70%032%0.324CS..Hα-helixtrans-67.1-52.3174.8173.5-117.7000111.7Y71 F80 E81 A91 V94 C98 W99 S104 H105 R106Y71-Y102 AromaticContact CD2-CD2 3.84Å; Y71-Y102 HydrophobicContact CD2-CD2 3.84Å; Y71-Y102 HydrophobicContact CD2-CG 4.26Å; Y71-Y102 AromaticContact CE2-CD2 3.95Å; Y71-Y102 HydrophobicContact CE2-CD2 3.95Å; F80-Y102 HydrophobicContact CD1-CD2 4Å; F80-Y102 HydrophobicContact CD1-CE2 4.1Å; E81-Y102 HydrophobicContact CB-CE2 4.5Å; E81-Y102 PolarHBondContact OE1-OH 3.49Å; A91-Y102 HydrophobicContact CB-CE1 4.09Å; A91-Y102 VanDerWaalsContact CB-OH 3.25Å; A91-Y102 WeakPolarHBondContact CB-OH 3.31Å; V94-Y102 HydrophobicContact CG2-CD1 4.2Å; V94-Y102 HydrophobicContact CG2-CG 4.48Å; C98-Y102 PolarHBondContact O-N 2.85Å; W99-Y102 HydrophobicContact CZ3-CD1 4.46Å; W99-Y102 CarbonylContact O-C 3.59Å; W99-Y102 WeakPolarHBondContact O-CB 3.49Å; W99-Y102 PolarHBondContact O-N 2.99Å; W99-Y102 VanDerWaalsContact O-N 3.13Å; Y102-S104 VanDerWaalsContact C-N 3.28Å; Y102-S104 PolarHBondContact O-N 3.26Å; Y102-H105 AromaticContact CE2-CE1 3.54Å; Y102-H105 PolarHBondContact O-N 3.06Å; Y102-H105 PolarHBondContact O-ND1 3.24Å; Y102-R106 PolarHBondContact OH-NH2 3.03Å; Y102-R106 VanDerWaalsContact OH-NH2 3.09Å
103T87.6Confident86.1Confident18 Ų1862.6 Ų62.611%0.1133%0.325CS..Hα-helixtrans-68-23.2-176.756.50000114.2W99 M100 H105 R106 E107W99-T103 HydrophobicContact CD2-CG2 3.94Å; W99-T103 VanDerWaalsContact CE2-CG2 3.43Å; W99-T103 HydrophobicContact CG-CG2 4.33Å; W99-T103 HydrophobicContact CH2-CG2 4.3Å; W99-T103 HydrophobicContact CZ2-CG2 3.65Å; W99-T103 PolarHBondContact O-N 3.11Å; W99-T103 PolarHBondContact O-OG1 3.32Å; M100-T103 PolarHBondContact O-OG1 2.81Å; T103-H105 PolarHBondContact O-N 2.72Å; T103-R106 PolarHBondContact O-N 2.69Å; T103-E107 PolarHBondContact O-N 3.23Å; T103-E107 VanDerWaalsContact O-N 3.16Å
104S85.7Confident85.6Confident54 Ų5461.1 Ų61.138%0.37832%0.319SS..Hα-helixtrans-49.4-33.5176179.50000113.5M100 Y102 T108M100-S104 WeakPolarHBondContact O-CB 3.42Å; M100-S104 PolarHBondContact O-N 3.45Å; M100-S104 VanDerWaalsContact O-N 3.13Å; Y102-S104 VanDerWaalsContact C-N 3.28Å; Y102-S104 PolarHBondContact O-N 3.26Å; S104-T108 WeakPolarHBondContact O-CB 3.27Å; S104-T108 PolarHBondContact O-N 3.49Å; S104-T108 PolarHBondContact O-OG1 3.28Å
105H82.9Confident84.7Confident22 Ų2260.9 Ų60.910%0.10232%0.318CS..Hα-helixtrans-71.6-35.8176.889.7-93000113.3E81 Y102 T103 T108 Q109E81-H105 IonicContact OE2-NE2 2.65Å; Y102-H105 AromaticContact CE2-CE1 3.54Å; Y102-H105 PolarHBondContact O-N 3.06Å; Y102-H105 PolarHBondContact O-ND1 3.24Å; T103-H105 PolarHBondContact O-N 2.72Å; H105-T108 WeakPolarHBondContact O-CB 3.35Å; H105-T108 PolarHBondContact O-N 3.19Å; H105-Q109 WeakPolarHBondContact O-CG 3.28Å; H105-Q109 PolarHBondContact O-N 2.98Å
106R84.6Confident83.6Confident82 Ų8261 Ų6131%0.30932%0.32SS..Hα-helixtrans-69.9-47.8178-67.8-173.6177.7169-4.1110.9E81 Y102 T103 T108 Q109 E110E81-R106 IonicContact OE1-CZ 3.58Å; E81-R106 VanDerWaalsContact OE1-CZ 3.27Å; E81-R106 IonicContact OE1-NE 3.4Å; E81-R106 PolarHBondContact OE1-NE 3.13Å; E81-R106 IonicContact OE1-NH2 2.78Å; E81-R106 PolarHBondContact OE1-NH2 3.43Å; Y102-R106 PolarHBondContact OH-NH2 3.03Å; Y102-R106 VanDerWaalsContact OH-NH2 3.09Å; T103-R106 PolarHBondContact O-N 2.69Å; R106-T108 PolarHBondContact O-N 3.33Å; R106-Q109 WeakPolarHBondContact O-CA 3.5Å; R106-Q109 WeakPolarHBondContact O-CB 3.35Å; R106-Q109 PolarHBondContact O-N 3.37Å; R106-E110 WeakPolarHBondContact O-CG 3.23Å; R106-E110 PolarHBondContact O-N 3.28Å
107E82.8Confident82.5Confident68 Ų6860.3 Ų60.332%0.31831%0.31SS..Hα-helixtrans-57.3-35.8172-62.1176.9-158.900112.1T103 T111 R488T103-E107 PolarHBondContact O-N 3.23Å; T103-E107 VanDerWaalsContact O-N 3.16Å; E107-T111 VanDerWaalsContact O-CB 3.3Å; E107-T111 WeakPolarHBondContact O-CB 3.45Å; E107-T111 PolarHBondContact O-N 2.63Å; E107-T111 PolarHBondContact O-OG1 3.16Å; E107-R488 IonicContact OE2-CZ 3.61Å; E107-R488 VanDerWaalsContact OE2-CZ 3.24Å; E107-R488 IonicContact OE2-NH1 3.7Å; E107-R488 PolarHBondContact OE2-NH1 3.34Å; E107-R488 IonicContact OE2-NH2 2.72Å; E107-R488 PolarHBondContact OE2-NH2 3.01Å
108T83Confident81.3Confident34 Ų3456.9 Ų56.921%0.20929%0.285CS..Hα-helixtrans-70.2-38.7175.9-64.40000111.5S104 H105 R106 T111 L112S104-T108 WeakPolarHBondContact O-CB 3.27Å; S104-T108 PolarHBondContact O-N 3.49Å; S104-T108 PolarHBondContact O-OG1 3.28Å; H105-T108 WeakPolarHBondContact O-CB 3.35Å; H105-T108 PolarHBondContact O-N 3.19Å; R106-T108 PolarHBondContact O-N 3.33Å; T108-T111 PolarHBondContact O-N 2.95Å; T108-L112 HydrophobicContact CG2-CD1 3.85Å; T108-L112 HydrophobicContact CG2-CG 4.35Å; T108-L112 VanDerWaalsContact O-CB 3.28Å; T108-L112 WeakPolarHBondContact O-CB 3.43Å; T108-L112 WeakPolarHBondContact O-CD1 3.48Å; T108-L112 WeakPolarHBondContact O-CG 3.35Å; T108-L112 PolarHBondContact O-N 3.03Å
109Q83.1Confident79.8Confident70 Ų7058 Ų5833%0.32729%0.29SS..Hα-helixtrans-64-44.1171.9-75.1165.6-24.100111.5H105 R106 L112 Q113H105-Q109 WeakPolarHBondContact O-CG 3.28Å; H105-Q109 PolarHBondContact O-N 2.98Å; R106-Q109 WeakPolarHBondContact O-CA 3.5Å; R106-Q109 WeakPolarHBondContact O-CB 3.35Å; R106-Q109 PolarHBondContact O-N 3.37Å; Q109-L112 CarbonylContact O-C 3.51Å; Q109-L112 PolarHBondContact O-N 3.21Å; Q109-Q113 WeakPolarHBondContact O-CB 3.41Å; Q109-Q113 PolarHBondContact O-N 2.9Å
110E82.1Confident78Confident123 Ų12357.4 Ų57.458%0.57529%0.293SS*.Hα-helixtrans-59.2-47173.5-69.8172.5-174.900111.4R106 L112 Q113 I114R106-E110 WeakPolarHBondContact O-CG 3.23Å; R106-E110 PolarHBondContact O-N 3.28Å; E110-L112 VanDerWaalsContact C-N 3.35Å; E110-L112 PolarHBondContact O-N 3.3Å; E110-Q113 WeakPolarHBondContact O-CB 3.37Å; E110-Q113 PolarHBondContact O-N 3.32Å; E110-I114 WeakPolarHBondContact O-CG1 3.38Å; E110-I114 PolarHBondContact O-N 2.71Å
111T80.6Confident76.2Confident11 Ų1154.5 Ų54.57%0.06728%0.28CS..Hα-helixtrans-59.7-44.3175.6-58.90000111.3E107 T108 Q113 I114 L115 F489E107-T111 VanDerWaalsContact O-CB 3.3Å; E107-T111 WeakPolarHBondContact O-CB 3.45Å; E107-T111 PolarHBondContact O-N 2.63Å; E107-T111 PolarHBondContact O-OG1 3.16Å; T108-T111 PolarHBondContact O-N 2.95Å; T111-Q113 VanDerWaalsContact C-N 3.35Å; T111-I114 PolarHBondContact O-N 3.13Å; T111-L115 HydrophobicContact CG2-CD1 4.2Å; T111-L115 WeakPolarHBondContact O-CB 3.26Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.46Å; T111-F489 HydrophobicContact CG2-CD1 3.88Å; T111-F489 HydrophobicContact CG2-CE1 3.8Å
112L76.5Confident74.5Confident42 Ų4253.4 Ų53.422%0.2227%0.273CS..Hα-helixtrans-70.1-28.8176.7-72.2169000112.7T108 Q109 E110 L115 N116 H492 Q496T108-L112 HydrophobicContact CG2-CD1 3.85Å; T108-L112 HydrophobicContact CG2-CG 4.35Å; T108-L112 VanDerWaalsContact O-CB 3.28Å; T108-L112 WeakPolarHBondContact O-CB 3.43Å; T108-L112 WeakPolarHBondContact O-CD1 3.48Å; T108-L112 WeakPolarHBondContact O-CG 3.35Å; T108-L112 PolarHBondContact O-N 3.03Å; Q109-L112 CarbonylContact O-C 3.51Å; Q109-L112 PolarHBondContact O-N 3.21Å; E110-L112 VanDerWaalsContact C-N 3.35Å; E110-L112 PolarHBondContact O-N 3.3Å; L112-L115 PolarHBondContact O-N 3.2Å; L112-N116 WeakPolarHBondContact O-CB 3.33Å; L112-N116 PolarHBondContact O-N 3.38Å; L112-N116 PolarHBondContact O-ND2 3.02Å; L112-N116 PolarHBondContact O-OD1 3.2Å; L112-H492 HydrophobicContact CD2-CB 4.31Å; L112-Q496 HydrophobicContact CD2-CG 3.94Å
113Q78.7Confident72.8Confident119 Ų11956.1 Ų56.156%0.55629%0.286SS*.Hα-helixtrans-69.5-47173.3-177.4174.9-9.100110.5Q109 E110 T111 L115 N116 D117Q109-Q113 WeakPolarHBondContact O-CB 3.41Å; Q109-Q113 PolarHBondContact O-N 2.9Å; E110-Q113 WeakPolarHBondContact O-CB 3.37Å; E110-Q113 PolarHBondContact O-N 3.32Å; T111-Q113 VanDerWaalsContact C-N 3.35Å; Q113-L115 PolarHBondContact O-N 2.84Å; Q113-N116 PolarHBondContact O-N 3.34Å; Q113-N116 VanDerWaalsContact O-N 3.11Å; Q113-D117 PolarHBondContact O-N 3.05Å
114I76.9Confident71.2Confident65 Ų6564.2 Ų64.233%0.33332%0.315SS..Hα-helixtrans-58.7-36.7173.3-64.7162.9000111E110 T111 L118 F489E110-I114 WeakPolarHBondContact O-CG1 3.38Å; E110-I114 PolarHBondContact O-N 2.71Å; T111-I114 PolarHBondContact O-N 3.13Å; I114-L118 WeakPolarHBondContact O-CG 3.39Å; I114-L118 PolarHBondContact O-N 2.68Å; I114-F489 HydrophobicContact CG2-CE1 4.26Å
115L73Confident69.9Low4 Ų464 Ų642%0.02131%0.306CS..Hα-helixtrans-74.9-33.9175.1-71.5169.7000113.4T111 L112 Q113 L118 D119 F489 H492 T493T111-L115 HydrophobicContact CG2-CD1 4.2Å; T111-L115 WeakPolarHBondContact O-CB 3.26Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.46Å; L112-L115 PolarHBondContact O-N 3.2Å; Q113-L115 PolarHBondContact O-N 2.84Å; L115-L118 HydrophobicContact CD2-CD1 4.11Å; L115-L118 WeakPolarHBondContact O-CB 3.34Å; L115-L118 PolarHBondContact O-N 3.22Å; L115-D119 PolarHBondContact O-N 3.04Å; L115-F489 HydrophobicContact CD2-CD1 4.37Å; L115-F489 HydrophobicContact CG-CD1 4.4Å; L115-H492 HydrophobicContact CD1-CB 3.42Å; L115-H492 VanDerWaalsContact CD1-CB 3.42Å; L115-T493 VanDerWaalsContact CD2-OG1 3.26Å; L115-T493 WeakPolarHBondContact CD2-OG1 3.35Å
116N69.3Low69Low45 Ų4566.2 Ų66.224%0.24132%0.321CS..Hα-helixtrans-66.4-41.6171.6-72-22.8000110.6L112 Q113 L118 D119 L120 Q496L112-N116 WeakPolarHBondContact O-CB 3.33Å; L112-N116 PolarHBondContact O-N 3.38Å; L112-N116 PolarHBondContact O-ND2 3.02Å; L112-N116 PolarHBondContact O-OD1 3.2Å; Q113-N116 PolarHBondContact O-N 3.34Å; Q113-N116 VanDerWaalsContact O-N 3.11Å; N116-L118 PolarHBondContact O-N 2.95Å; N116-D119 CarbonylContact O-C 3.3Å; N116-D119 PolarHBondContact O-N 3.41Å; N116-L120 WeakPolarHBondContact O-CB 3.49Å; N116-L120 VanDerWaalsContact O-CG 3.31Å; N116-L120 WeakPolarHBondContact O-CG 3.5Å; N116-L120 PolarHBondContact O-N 3.39Å; N116-Q496 PolarHBondContact OD1-NE2 3.46Å; N116-Q496 VanDerWaalsContact OD1-NE2 3.09Å
117D68.3Low68.2Low97 Ų9766.5 Ų66.552%0.51933%0.325SS..Hα-helixtrans-59.7-27.9173.3-73.1-19.9000112.4Q113Q113-D117 PolarHBondContact O-N 3.05Å
118L64.9Low67.5Low22 Ų2268.5 Ų68.512%0.11534%0.335CS..Hα-helixtrans-79-38.4171-75.8164.6000113.5I114 L115 N116 K369 I370 H373I114-L118 WeakPolarHBondContact O-CG 3.39Å; I114-L118 PolarHBondContact O-N 2.68Å; L115-L118 HydrophobicContact CD2-CD1 4.11Å; L115-L118 WeakPolarHBondContact O-CB 3.34Å; L115-L118 PolarHBondContact O-N 3.22Å; N116-L118 PolarHBondContact O-N 2.95Å; L118-K369 HydrophobicContact CD2-CB 3.63Å; L118-K369 HydrophobicContact CD2-CD 4.5Å; L118-I370 HydrophobicContact CD1-CG1 4.43Å; L118-H373 HydrophobicContact CD1-CB 4Å
119D60.3Low66.9Low42 Ų4271 Ų7123%0.22534%0.344CS..Hα-helixtrans-85.7-4.9-179-139.427000113L115 N116 D121 T122 E123 R504L115-D119 PolarHBondContact O-N 3.04Å; N116-D119 CarbonylContact O-C 3.3Å; N116-D119 PolarHBondContact O-N 3.41Å; D119-D121 PolarHBondContact O-N 2.96Å; D119-T122 CarbonylContact O-C 3.5Å; D119-T122 WeakPolarHBondContact O-CA 3.16Å; D119-T122 VanDerWaalsContact O-CB 3.27Å; D119-T122 WeakPolarHBondContact O-CB 3.28Å; D119-T122 PolarHBondContact O-N 2.85Å; D119-T122 WeakPolarHBondContact OD1-CB 3.3Å; D119-T122 PolarHBondContact OD1-OG1 3.4Å; D119-E123 PolarHBondContact O-N 3.08Å; D119-R504 IonicContact OD2-NH1 3.41Å; D119-R504 PolarHBondContact OD2-NH1 3.08Å
120L52.3Low66.6Low78 Ų7867.8 Ų67.841%0.40833%0.329SS..THydrogen-bonded Turntrans-68.1-5.2169.8-85.2178.7000114.4N116 R125N116-L120 WeakPolarHBondContact O-CB 3.49Å; N116-L120 VanDerWaalsContact O-CG 3.31Å; N116-L120 WeakPolarHBondContact O-CG 3.5Å; N116-L120 PolarHBondContact O-N 3.39Å; L120-R125 PolarHBondContact O-NH2 3.22Å
121D49.7Very low66.5Low76 Ų7662.1 Ų62.141%0.40630%0.303SS..THydrogen-bonded Turntrans-91.6-10.4163.5-79.3-17.3000112.9D119 K369D119-D121 PolarHBondContact O-N 2.96Å; D121-K369 IonicContact OD2-NZ 2.72Å; D121-K369 PolarHBondContact OD2-NZ 3.29Å
122T52.7Low66.3Low49 Ų4964.3 Ų64.330%0.30132%0.318SS..THydrogen-bonded Turntrans-106.8-25-176.6-470000112.8D119 R124D119-T122 CarbonylContact O-C 3.5Å; D119-T122 WeakPolarHBondContact O-CA 3.16Å; D119-T122 VanDerWaalsContact O-CB 3.27Å; D119-T122 WeakPolarHBondContact O-CB 3.28Å; D119-T122 PolarHBondContact O-N 2.85Å; D119-T122 WeakPolarHBondContact OD1-CB 3.3Å; D119-T122 PolarHBondContact OD1-OG1 3.4Å; T122-R124 PolarHBondContact O-N 3.26Å
123E53.1Low66.3Low57 Ų5766.8 Ų66.827%0.26633%0.327SS..SBendtrans-69126.9175.2-66.1-128.2116.600111.1D119 R125D119-E123 PolarHBondContact O-N 3.08Å; E123-R125 PolarHBondContact O-N 2.91Å
124R54.2Low66.4Low189 Ų18962.1 Ų62.171%0.71331%0.305SS*.  trans-67.3100.7163.7-83.2-176.7171.5169-3.4107.7T122 T126 S164T122-R124 PolarHBondContact O-N 3.26Å; R124-T126 PolarHBondContact O-N 3.44Å; R124-S164 PolarHBondContact NE-O 3.46Å; R124-S164 PolarHBondContact NH2-O 3.01Å
125R59.3Low66.4Low50 Ų5061.7 Ų61.719%0.18932%0.317CS..  trans-48.7133.1166.5-55.9-178.5-150.4-72.8-24.4108.5L120 E123 E129 L130 E161L120-R125 PolarHBondContact O-NH2 3.22Å; E123-R125 PolarHBondContact O-N 2.91Å; R125-E129 HydrophobicContact CB-CB 4.25Å; R125-L130 HydrophobicContact CB-CB 4.47Å; R125-E161 IonicContact CZ-OE1 2.68Å; R125-E161 IonicContact NE-OE1 2.69Å; R125-E161 PolarHBondContact NE-OE1 2.92Å; R125-E161 IonicContact NH2-OE1 2.72Å; R125-E161 PolarHBondContact NH2-OE1 2.9Å
126T64.2Low66.7Low68 Ų6863.8 Ų63.842%0.41733%0.325SS..  trans-59.3154.3166.259.50000109.2R124 E128 E129 L130R124-T126 PolarHBondContact O-N 3.44Å; T126-E128 PolarHBondContact O-N 2.94Å; T126-E129 WeakPolarHBondContact CB-OE2 3.22Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.23Å; T126-E129 PolarHBondContact N-OE2 3.38Å; T126-E129 PolarHBondContact O-N 3.35Å; T126-E129 VanDerWaalsContact OG1-CG 3.26Å; T126-E129 WeakPolarHBondContact OG1-CG 3.36Å; T126-E129 PolarHBondContact OG1-N 2.7Å; T126-E129 PolarHBondContact OG1-OE2 3.09Å; T126-L130 WeakPolarHBondContact O-CB 3.48Å; T126-L130 PolarHBondContact O-N 3.19Å
127E67.5Low66.9Low87 Ų8764 Ų6441%0.40733%0.326SS..Hα-helixtrans-60.7-30.1-179.8-68.9-163.6123.200111.2L130 Y131 K154E127-L130 WeakPolarHBondContact O-CB 3.42Å; E127-L130 PolarHBondContact O-N 3.08Å; E127-Y131 HydrophobicContact CB-CD2 4.46Å; E127-Y131 HydrophobicContact CB-CE2 4.26Å; E127-Y131 WeakPolarHBondContact O-CD2 3.37Å; E127-Y131 PolarHBondContact O-N 3.33Å; E127-K154 IonicContact OE1-NZ 3.9Å; E127-K154 PolarHBondContact OE1-NZ 3.22Å
128E67.3Low67.1Low110 Ų11065.3 Ų65.351%0.51433%0.332SS..Hα-helixtrans-62.4-52.4172.8-64.5179.8164.900112.3T126 L130 Y131 S132 Y140T126-E128 PolarHBondContact O-N 2.94Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 3.02Å; E128-Y131 PolarHBondContact O-N 3.35Å; E128-S132 WeakPolarHBondContact O-CB 3.03Å; E128-S132 PolarHBondContact O-N 3.11Å; E128-Y140 HydrophobicContact CG-CD1 4.46Å; E128-Y140 HydrophobicContact CG-CE1 3.92Å
129E71.9Confident67.6Low88 Ų8865.2 Ų65.241%0.41134%0.335SS..Hα-helixtrans-60.7-35.9175.2-70.3157.9151.900112.1R125 T126 K133R125-E129 HydrophobicContact CB-CB 4.25Å; T126-E129 WeakPolarHBondContact CB-OE2 3.22Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.23Å; T126-E129 PolarHBondContact N-OE2 3.38Å; T126-E129 PolarHBondContact O-N 3.35Å; T126-E129 VanDerWaalsContact OG1-CG 3.26Å; T126-E129 WeakPolarHBondContact OG1-CG 3.36Å; T126-E129 PolarHBondContact OG1-N 2.7Å; T126-E129 PolarHBondContact OG1-OE2 3.09Å; E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 VanDerWaalsContact O-N 3.09Å
130L76.2Confident68.3Low2 Ų266.9 Ų66.91%0.0134%0.339CS..Hα-helixtrans-64.1-51.4176.6178.368.8000111.6R125 T126 E127 E128 K133 F134 P153 W156 M157R125-L130 HydrophobicContact CB-CB 4.47Å; T126-L130 WeakPolarHBondContact O-CB 3.48Å; T126-L130 PolarHBondContact O-N 3.19Å; E127-L130 WeakPolarHBondContact O-CB 3.42Å; E127-L130 PolarHBondContact O-N 3.08Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 3.02Å; L130-K133 PolarHBondContact O-N 3.21Å; L130-F134 HydrophobicContact CD1-CE2 4.39Å; L130-F134 WeakPolarHBondContact O-CD2 3.49Å; L130-P153 HydrophobicContact CD1-CB 3.96Å; L130-P153 HydrophobicContact CD2-CB 3.77Å; L130-P153 HydrophobicContact CG-CB 3.71Å; L130-W156 HydrophobicContact CD1-CE3 3.87Å; L130-W156 HydrophobicContact CD1-CZ3 4.16Å; L130-M157 HydrophobicContact CD1-CG 3.68Å; L130-M157 HydrophobicContact CD1-SD 3.79Å; L130-M157 HydrophobicContact CD2-CG 4.32Å; L130-M157 HydrophobicContact CD2-SD 3.51Å; L130-M157 VanDerWaalsContact CD2-SD 3.51Å; L130-M157 HydrophobicContact CG-SD 4.21Å
131Y79.8Confident69.4Low4 Ų470.1 Ų70.12%0.01635%0.352CS..Hα-helixtrans-70.1-33.1179.5-70.9-68.6000112.2E127 E128 K133 F134 G135 W136 Y140 L145 P153E127-Y131 HydrophobicContact CB-CD2 4.46Å; E127-Y131 HydrophobicContact CB-CE2 4.26Å; E127-Y131 WeakPolarHBondContact O-CD2 3.37Å; E127-Y131 PolarHBondContact O-N 3.33Å; E128-Y131 PolarHBondContact O-N 3.35Å; Y131-K133 VanDerWaalsContact C-N 3.33Å; Y131-K133 PolarHBondContact O-N 2.93Å; Y131-F134 CarbonylContact O-C 3.6Å; Y131-F134 PolarHBondContact O-N 2.84Å; Y131-G135 PolarHBondContact O-N 3.48Å; Y131-W136 HydrophobicContact CD1-CB 4.5Å; Y131-W136 PolarHBondContact O-N 3.44Å; Y131-Y140 AromaticContact CD2-CD1 3.89Å; Y131-Y140 HydrophobicContact CD2-CD1 3.89Å; Y131-Y140 AromaticContact CD2-CD2 3.38Å; Y131-Y140 HydrophobicContact CD2-CD2 3.38Å; Y131-Y140 HydrophobicContact CD2-CE1 4.3Å; Y131-Y140 AromaticContact CD2-CE2 3.84Å; Y131-Y140 HydrophobicContact CD2-CE2 3.84Å; Y131-Y140 AromaticContact CD2-CG 3.41Å; Y131-Y140 HydrophobicContact CD2-CG 3.41Å; Y131-Y140 VanDerWaalsContact CD2-CG 3.41Å; Y131-Y140 AromaticContact CE2-CD2 3.3Å; Y131-Y140 HydrophobicContact CE2-CD2 3.3Å; Y131-Y140 AromaticContact CE2-CE2 3.5Å; Y131-Y140 HydrophobicContact CE2-CE2 3.5Å; Y131-Y140 VanDerWaalsContact CE2-CE2 3.5Å; Y131-Y140 AromaticContact CE2-CG 3.88Å; Y131-Y140 HydrophobicContact CE2-CG 3.88Å; Y131-Y140 HydrophobicContact CG-CD2 4.24Å; Y131-Y140 HydrophobicContact CG-CG 4.03Å; Y131-L145 HydrophobicContact CD1-CD1 4.3Å; Y131-L145 HydrophobicContact CD1-CD2 4.49Å; Y131-L145 HydrophobicContact CE1-CD1 3.76Å; Y131-L145 HydrophobicContact CE1-CD2 4.49Å; Y131-L145 HydrophobicContact CE2-CD1 4.45Å; Y131-P153 HydrophobicContact CD1-CG 4.01Å; Y131-P153 HydrophobicContact CE1-CB 4.42Å; Y131-P153 HydrophobicContact CE1-CG 3.84Å
132S76.1Confident70.7Confident57 Ų5769.7 Ų69.740%0.39936%0.355SS..Hα-helixtrans-62.1-37.6173.6-1670000112.3E128 F134 G135 D137E128-S132 WeakPolarHBondContact O-CB 3.03Å; E128-S132 PolarHBondContact O-N 3.11Å; S132-F134 PolarHBondContact O-N 3.3Å; S132-F134 VanDerWaalsContact O-N 3.08Å; S132-G135 PolarHBondContact O-N 3.18Å; S132-D137 VanDerWaalsContact CB-OD2 3.23Å; S132-D137 WeakPolarHBondContact CB-OD2 3.5Å; S132-D137 PolarHBondContact OG-OD2 3.26Å
133K76.3Confident71.9Confident94 Ų9470.3 Ų70.341%0.40937%0.371SS..THydrogen-bonded Turntrans-60.2-19.4172.2-168.5175.3-176.3-179.70113.9E129 L130 Y131 W156E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 VanDerWaalsContact O-N 3.09Å; L130-K133 PolarHBondContact O-N 3.21Å; Y131-K133 VanDerWaalsContact C-N 3.33Å; Y131-K133 PolarHBondContact O-N 2.93Å; K133-W156 HydrophobicContact CD-CH2 4.22Å; K133-W156 HydrophobicContact CD-CZ3 4.22Å
134F80.9Confident73.1Confident20 Ų2075.6 Ų75.69%0.08839%0.393CS..THydrogen-bonded Turntrans-101.1-1.9173.7-74.5-83.8000114.1L130 Y131 S132 W136 K152 P153 W156 V305 P307L130-F134 HydrophobicContact CD1-CE2 4.39Å; L130-F134 WeakPolarHBondContact O-CD2 3.49Å; Y131-F134 CarbonylContact O-C 3.6Å; Y131-F134 PolarHBondContact O-N 2.84Å; S132-F134 PolarHBondContact O-N 3.3Å; S132-F134 VanDerWaalsContact O-N 3.08Å; F134-W136 VanDerWaalsContact C-N 3.32Å; F134-W136 HydrophobicContact CB-CD2 3.82Å; F134-W136 HydrophobicContact CB-CE3 3.62Å; F134-W136 HydrophobicContact CB-CG 4.26Å; F134-W136 HydrophobicContact CB-CZ3 4.13Å; F134-W136 HydrophobicContact CD1-CZ3 4.23Å; F134-W136 HydrophobicContact CG-CE3 4.18Å; F134-W136 HydrophobicContact CG-CZ3 4.25Å; F134-K152 HydrophobicContact CD1-CD 4.21Å; F134-K152 HydrophobicContact CE1-CD 3.96Å; F134-K152 HydrophobicContact CE1-CG 4.22Å; F134-P153 HydrophobicContact CD2-CB 3.79Å; F134-P153 HydrophobicContact CD2-CG 3.71Å; F134-P153 HydrophobicContact CE2-CB 3.57Å; F134-P153 HydrophobicContact CE2-CG 3.88Å; F134-P153 HydrophobicContact CG-CG 4.22Å; F134-P153 HydrophobicContact CZ-CB 4.36Å; F134-P153 HydrophobicContact CZ-CG 4.49Å; F134-W156 HydrophobicContact CE2-CB 4.36Å; F134-W156 HydrophobicContact CE2-CD2 4.4Å; F134-W156 HydrophobicContact CE2-CE3 4.29Å; F134-W156 HydrophobicContact CE2-CG 4.41Å; F134-W156 HydrophobicContact CZ-CB 3.88Å; F134-W156 HydrophobicContact CZ-CD2 4.24Å; F134-W156 AromaticContact CZ-CG 3.88Å; F134-W156 HydrophobicContact CZ-CG 3.88Å; F134-V305 WeakPolarHBondContact CE1-O 3.46Å; F134-P307 HydrophobicContact CD1-CB 3.82Å; F134-P307 HydrophobicContact CD1-CG 4.35Å; F134-P307 HydrophobicContact CE1-CB 3.96Å; F134-P307 VanDerWaalsContact CE1-CD 3.48Å; F134-P307 HydrophobicContact CE1-CG 4.13Å
135G77Confident74.2Confident56 Ų5668.3 Ų68.358%0.57737%0.368SS*.THydrogen-bonded Turntrans67.830.7-172.400000113.2Y131 S132Y131-G135 PolarHBondContact O-N 3.48Å; S132-G135 PolarHBondContact O-N 3.18Å
136W78.6Confident75.3Confident49 Ų4969.7 Ų69.719%0.18638%0.382CS..  trans-121.418.6-177.6-62-25.7000112.7Y131 F134 A139 Y140 L145 Q149 K152 P153Y131-W136 HydrophobicContact CD1-CB 4.5Å; Y131-W136 PolarHBondContact O-N 3.44Å; F134-W136 VanDerWaalsContact C-N 3.32Å; F134-W136 HydrophobicContact CB-CD2 3.82Å; F134-W136 HydrophobicContact CB-CE3 3.62Å; F134-W136 HydrophobicContact CB-CG 4.26Å; F134-W136 HydrophobicContact CB-CZ3 4.13Å; F134-W136 HydrophobicContact CD1-CZ3 4.23Å; F134-W136 HydrophobicContact CG-CE3 4.18Å; F134-W136 HydrophobicContact CG-CZ3 4.25Å; W136-A139 HydrophobicContact CB-CB 4.31Å; W136-A139 PolarHBondContact O-N 2.86Å; W136-Y140 WeakPolarHBondContact O-CB 3.48Å; W136-Y140 PolarHBondContact O-N 2.89Å; W136-L145 HydrophobicContact CB-CD2 4.29Å; W136-Q149 HydrophobicContact CD2-CB 4.21Å; W136-Q149 HydrophobicContact CD2-CG 3.87Å; W136-Q149 HydrophobicContact CE3-CB 3.82Å; W136-Q149 HydrophobicContact CE3-CG 3.9Å; W136-Q149 HydrophobicContact CH2-CB 4.2Å; W136-Q149 HydrophobicContact CH2-CG 3.7Å; W136-Q149 HydrophobicContact CZ2-CG 3.71Å; W136-Q149 VanDerWaalsContact CZ3-CA 3.5Å; W136-Q149 HydrophobicContact CZ3-CB 3.83Å; W136-Q149 HydrophobicContact CZ3-CG 3.83Å; W136-K152 HydrophobicContact CH2-CD 3.52Å; W136-K152 HydrophobicContact CZ3-CB 4.36Å; W136-K152 HydrophobicContact CZ3-CD 3.9Å; W136-P153 HydrophobicContact CE3-CG 4.19Å; W136-P153 HydrophobicContact CZ3-CG 4.08Å
137D74Confident76.3Confident49 Ų4972.7 Ų72.726%0.26240%0.395SS..Hα-helixtrans-55-49.517126.37000111.8S132 A139 Y140 Q141S132-D137 VanDerWaalsContact CB-OD2 3.23Å; S132-D137 WeakPolarHBondContact CB-OD2 3.5Å; S132-D137 PolarHBondContact OG-OD2 3.26Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 2.71Å; D137-Y140 PolarHBondContact O-N 3.06Å; D137-Q141 WeakPolarHBondContact O-CG 3.49Å; D137-Q141 PolarHBondContact O-N 2.75Å
138D72.8Confident77.1Confident124 Ų12475.1 Ų75.166%0.66340%0.4SS*.Hα-helixtrans-62.6-37.7175.6-67.3-29.1000112.5S142D138-S142 VanDerWaalsContact O-CB 3.28Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 2.79Å
139A76Confident77.8Confident21 Ų2171.7 Ų71.717%0.17438%0.384CS..Hα-helixtrans-71.8-33.1179.300000112.2W136 D137 S142 G143 K144 L145W136-A139 HydrophobicContact CB-CB 4.31Å; W136-A139 PolarHBondContact O-N 2.86Å; D137-A139 VanDerWaalsContact C-N 3.32Å; D137-A139 PolarHBondContact O-N 2.71Å; A139-S142 PolarHBondContact O-OG 2.72Å; A139-G143 CarbonylContact O-C 3.52Å; A139-G143 PolarHBondContact O-N 3.44Å; A139-K144 PolarHBondContact O-N 3.2Å; A139-L145 HydrophobicContact CB-CD2 3.71Å
140Y75.3Confident78.3Confident77 Ų7774.4 Ų74.430%0.30239%0.391SS..Hα-helixtrans-70.2-49.8172.7176.6-114.3000111.2E128 Y131 W136 D137 S142 G143 L145E128-Y140 HydrophobicContact CG-CD1 4.46Å; E128-Y140 HydrophobicContact CG-CE1 3.92Å; Y131-Y140 AromaticContact CD2-CD1 3.89Å; Y131-Y140 HydrophobicContact CD2-CD1 3.89Å; Y131-Y140 AromaticContact CD2-CD2 3.38Å; Y131-Y140 HydrophobicContact CD2-CD2 3.38Å; Y131-Y140 HydrophobicContact CD2-CE1 4.3Å; Y131-Y140 AromaticContact CD2-CE2 3.84Å; Y131-Y140 HydrophobicContact CD2-CE2 3.84Å; Y131-Y140 AromaticContact CD2-CG 3.41Å; Y131-Y140 HydrophobicContact CD2-CG 3.41Å; Y131-Y140 VanDerWaalsContact CD2-CG 3.41Å; Y131-Y140 AromaticContact CE2-CD2 3.3Å; Y131-Y140 HydrophobicContact CE2-CD2 3.3Å; Y131-Y140 AromaticContact CE2-CE2 3.5Å; Y131-Y140 HydrophobicContact CE2-CE2 3.5Å; Y131-Y140 VanDerWaalsContact CE2-CE2 3.5Å; Y131-Y140 AromaticContact CE2-CG 3.88Å; Y131-Y140 HydrophobicContact CE2-CG 3.88Å; Y131-Y140 HydrophobicContact CG-CD2 4.24Å; Y131-Y140 HydrophobicContact CG-CG 4.03Å; W136-Y140 WeakPolarHBondContact O-CB 3.48Å; W136-Y140 PolarHBondContact O-N 2.89Å; D137-Y140 PolarHBondContact O-N 3.06Å; Y140-S142 VanDerWaalsContact C-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.74Å; Y140-G143 PolarHBondContact O-N 3.35Å; Y140-G143 VanDerWaalsContact O-N 3.08Å; Y140-L145 HydrophobicContact CD2-CD1 3.87Å
141Q75.6Confident78.8Confident145 Ų14580.9 Ų80.968%0.67842%0.416SS*.Hα-helixtrans-62.8-36.2178.3-70.9-175.753.700112.9D137 G143D137-Q141 WeakPolarHBondContact O-CG 3.49Å; D137-Q141 PolarHBondContact O-N 2.75Å; Q141-G143 VanDerWaalsContact C-N 3.32Å
142S75.7Confident79.2Confident67 Ų6781.9 Ų81.947%0.46942%0.421SS..THydrogen-bonded Turntrans-82.9-2.4175.462.10000114.4D138 A139 Y140 K144D138-S142 VanDerWaalsContact O-CB 3.28Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 2.79Å; A139-S142 PolarHBondContact O-OG 2.72Å; Y140-S142 VanDerWaalsContact C-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.74Å; S142-K144 PolarHBondContact O-N 3.46Å
143G77.4Confident79.6Confident62 Ų6279.2 Ų79.264%0.63940%0.402SS*.THydrogen-bonded Turntrans70.22.9-179.700000115.7A139 Y140 Q141 L145A139-G143 CarbonylContact O-C 3.52Å; A139-G143 PolarHBondContact O-N 3.44Å; Y140-G143 PolarHBondContact O-N 3.35Å; Y140-G143 VanDerWaalsContact O-N 3.08Å; Q141-G143 VanDerWaalsContact C-N 3.32Å; G143-L145 VanDerWaalsContact C-N 3.29Å; G143-L145 PolarHBondContact O-N 3.23Å
144K78.6Confident79.9Confident169 Ų16979 Ų7974%0.73540%0.401SS*.  trans-89.836.4-172.1-66.9178.9-177.9178.40113.7A139 S142A139-K144 PolarHBondContact O-N 3.2Å; S142-K144 PolarHBondContact O-N 3.46Å
145L77.2Confident80.3Confident35 Ų3580.5 Ų80.518%0.18341%0.409CS..  trans-76.9124.9178.2-69172.9000111.8Y131 W136 A139 Y140 G143 Q149Y131-L145 HydrophobicContact CD1-CD1 4.3Å; Y131-L145 HydrophobicContact CD1-CD2 4.49Å; Y131-L145 HydrophobicContact CE1-CD1 3.76Å; Y131-L145 HydrophobicContact CE1-CD2 4.49Å; Y131-L145 HydrophobicContact CE2-CD1 4.45Å; W136-L145 HydrophobicContact CB-CD2 4.29Å; A139-L145 HydrophobicContact CB-CD2 3.71Å; Y140-L145 HydrophobicContact CD2-CD1 3.87Å; G143-L145 VanDerWaalsContact C-N 3.29Å; G143-L145 PolarHBondContact O-N 3.23Å; L145-Q149 HydrophobicContact CB-CB 4.44Å; L145-Q149 HydrophobicContact CD2-CB 3.88Å
146T83.7Confident80.8Confident79 Ų7978.4 Ų78.449%0.48538%0.384SS..  trans-64.2159165.262.50000111.2W148 Q149 R150T146-W148 VanDerWaalsContact C-N 3.29Å; T146-W148 PolarHBondContact O-N 3.41Å; T146-Q149 PolarHBondContact O-N 3.19Å; T146-Q149 VanDerWaalsContact OG1-CD 3.32Å; T146-Q149 VanDerWaalsContact OG1-CG 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.41Å; T146-Q149 PolarHBondContact OG1-N 3.38Å; T146-Q149 PolarHBondContact OG1-OE1 3.02Å; T146-R150 PolarHBondContact O-N 3.26Å
147L84.6Confident81Confident131 Ų13177.5 Ų77.569%0.68638%0.382SS*.Hα-helixtrans-54.2-44.8178.4-64.9176.2000112Q149 R150 Y151L147-Q149 PolarHBondContact O-N 3.39Å; L147-R150 PolarHBondContact O-N 3.33Å; L147-R150 VanDerWaalsContact O-N 3.16Å; L147-Y151 WeakPolarHBondContact O-CD2 3.31Å; L147-Y151 PolarHBondContact O-N 3.03Å
148W83.7Confident81.6Confident139 Ų13977.6 Ų77.653%0.52738%0.382SS..Hα-helixtrans-63.2-40.4176.8-176.5-116.3000112.6T146 R150 Y151 K152 I304T146-W148 VanDerWaalsContact C-N 3.29Å; T146-W148 PolarHBondContact O-N 3.41Å; W148-R150 VanDerWaalsContact C-N 3.28Å; W148-R150 PolarHBondContact O-N 2.93Å; W148-Y151 PolarHBondContact O-N 2.97Å; W148-K152 HydrophobicContact CD2-CB 4.45Å; W148-K152 HydrophobicContact CZ2-CB 4.48Å; W148-K152 HydrophobicContact CZ2-CG 4.41Å; W148-K152 WeakPolarHBondContact O-CB 3.47Å; W148-K152 PolarHBondContact O-N 3.4Å; W148-I304 HydrophobicContact CH2-CG2 3.96Å; W148-I304 HydrophobicContact CZ2-CG2 4.02Å
149Q83Confident82.2Confident37 Ų3772.5 Ų72.517%0.17335%0.354CS..Hα-helixtrans-65-31.3174.6-70.4168.6-6200112.9W136 L145 T146 L147 P153W136-Q149 HydrophobicContact CD2-CB 4.21Å; W136-Q149 HydrophobicContact CD2-CG 3.87Å; W136-Q149 HydrophobicContact CE3-CB 3.82Å; W136-Q149 HydrophobicContact CE3-CG 3.9Å; W136-Q149 HydrophobicContact CH2-CB 4.2Å; W136-Q149 HydrophobicContact CH2-CG 3.7Å; W136-Q149 HydrophobicContact CZ2-CG 3.71Å; W136-Q149 VanDerWaalsContact CZ3-CA 3.5Å; W136-Q149 HydrophobicContact CZ3-CB 3.83Å; W136-Q149 HydrophobicContact CZ3-CG 3.83Å; L145-Q149 HydrophobicContact CB-CB 4.44Å; L145-Q149 HydrophobicContact CD2-CB 3.88Å; T146-Q149 PolarHBondContact O-N 3.19Å; T146-Q149 VanDerWaalsContact OG1-CD 3.32Å; T146-Q149 VanDerWaalsContact OG1-CG 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.41Å; T146-Q149 PolarHBondContact OG1-N 3.38Å; T146-Q149 PolarHBondContact OG1-OE1 3.02Å; L147-Q149 PolarHBondContact O-N 3.39Å; Q149-P153 WeakPolarHBondContact O-CD 3.39Å; Q149-P153 WeakPolarHBondContact O-CG 3.4Å
150R82.7Confident82.4Confident145 Ų14573.4 Ų73.455%0.54736%0.356SS..Hα-helixtrans-77.3-32.4177.1-163178.7-171.5-169.62.8113.3T146 L147 W148T146-R150 PolarHBondContact O-N 3.26Å; L147-R150 PolarHBondContact O-N 3.33Å; L147-R150 VanDerWaalsContact O-N 3.16Å; W148-R150 VanDerWaalsContact C-N 3.28Å; W148-R150 PolarHBondContact O-N 2.93Å
151Y85.7Confident82.4Confident138 Ų13870.1 Ų70.154%0.54134%0.343SS..Hα-helixtrans-91.6-37.4-179.2-76-68.7000114.2L147 W148 K154 I155L147-Y151 WeakPolarHBondContact O-CD2 3.31Å; L147-Y151 PolarHBondContact O-N 3.03Å; W148-Y151 PolarHBondContact O-N 2.97Å; Y151-K154 PolarHBondContact O-N 3.36Å; Y151-I155 WeakPolarHBondContact O-CG1 3.48Å; Y151-I155 PolarHBondContact O-N 2.78Å
152K88.3Confident82.4Confident26 Ų2663.7 Ų63.711%0.11331%0.314CS..Hα-helixtrans-53.2-48.3-177.3-179.1-163.9-176.4-166.90112.8F134 W136 W148 K154 I155 W156 V305F134-K152 HydrophobicContact CD1-CD 4.21Å; F134-K152 HydrophobicContact CE1-CD 3.96Å; F134-K152 HydrophobicContact CE1-CG 4.22Å; W136-K152 HydrophobicContact CH2-CD 3.52Å; W136-K152 HydrophobicContact CZ3-CB 4.36Å; W136-K152 HydrophobicContact CZ3-CD 3.9Å; W148-K152 HydrophobicContact CD2-CB 4.45Å; W148-K152 HydrophobicContact CZ2-CB 4.48Å; W148-K152 HydrophobicContact CZ2-CG 4.41Å; W148-K152 WeakPolarHBondContact O-CB 3.47Å; W148-K152 PolarHBondContact O-N 3.4Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 3.22Å; K152-I155 PolarHBondContact O-N 2.66Å; K152-W156 WeakPolarHBondContact O-CB 3.44Å; K152-W156 PolarHBondContact O-N 2.69Å; K152-V305 WeakPolarHBondContact CE-O 3.35Å; K152-V305 HydrophobicContact CG-CG1 4.05Å; K152-V305 WeakPolarHBondContact O-CG1 3.36Å
153P84.4Confident82.2Confident0 Ų066.6 Ų66.60%032%0.316CS..Hα-helixtrans-67.6-30.1179.4-20.635.7000112.9L130 Y131 F134 W136 Q149 W156 M157L130-P153 HydrophobicContact CD1-CB 3.96Å; L130-P153 HydrophobicContact CD2-CB 3.77Å; L130-P153 HydrophobicContact CG-CB 3.71Å; Y131-P153 HydrophobicContact CD1-CG 4.01Å; Y131-P153 HydrophobicContact CE1-CB 4.42Å; Y131-P153 HydrophobicContact CE1-CG 3.84Å; F134-P153 HydrophobicContact CD2-CB 3.79Å; F134-P153 HydrophobicContact CD2-CG 3.71Å; F134-P153 HydrophobicContact CE2-CB 3.57Å; F134-P153 HydrophobicContact CE2-CG 3.88Å; F134-P153 HydrophobicContact CG-CG 4.22Å; F134-P153 HydrophobicContact CZ-CB 4.36Å; F134-P153 HydrophobicContact CZ-CG 4.49Å; W136-P153 HydrophobicContact CE3-CG 4.19Å; W136-P153 HydrophobicContact CZ3-CG 4.08Å; Q149-P153 WeakPolarHBondContact O-CD 3.39Å; Q149-P153 WeakPolarHBondContact O-CG 3.4Å; P153-W156 WeakPolarHBondContact O-CB 3.29Å; P153-W156 PolarHBondContact O-N 2.83Å; P153-M157 PolarHBondContact O-N 3.27Å; P153-M157 VanDerWaalsContact O-N 3.08Å
154K83.8Confident82.1Confident91 Ų9164.3 Ų64.340%0.39629%0.29SS..Hα-helixtrans-73.4-38.5177.5-59.6-168.7-179.4-126.50111.8E127 Y151 K152 W156 L158E127-K154 IonicContact OE1-NZ 3.9Å; E127-K154 PolarHBondContact OE1-NZ 3.22Å; Y151-K154 PolarHBondContact O-N 3.36Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 3.22Å; K154-W156 VanDerWaalsContact C-N 3.29Å; K154-L158 WeakPolarHBondContact O-CB 3.28Å; K154-L158 PolarHBondContact O-N 3.24Å; K154-L158 VanDerWaalsContact O-N 3.16Å
155I88.3Confident82.3Confident50 Ų5058.3 Ų58.326%0.25627%0.269SS..Hα-helixtrans-67.5-33170.7-59.1164.8000110.3Y151 K152 L158 F159 I301 V305Y151-I155 WeakPolarHBondContact O-CG1 3.48Å; Y151-I155 PolarHBondContact O-N 2.78Å; K152-I155 PolarHBondContact O-N 2.66Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.25Å; I155-F159 HydrophobicContact CG2-CD2 4.15Å; I155-F159 HydrophobicContact CG2-CE2 4.45Å; I155-F159 PolarHBondContact O-N 3.05Å; I155-I301 HydrophobicContact CG2-CG2 3.8Å; I155-V305 HydrophobicContact CB-CG1 4.27Å; I155-V305 HydrophobicContact CB-CG2 4.34Å; I155-V305 HydrophobicContact CG2-CG1 4.32Å; I155-V305 HydrophobicContact CG2-CG2 3.88Å
156W87.1Confident82.7Confident13 Ų1363 Ų635%0.04929%0.294CS..Hα-helixtrans-62.3-52.6176.6-173.760.9000111.4L130 K133 F134 K152 P153 K154 L158 F159 D160 E161 V305L130-W156 HydrophobicContact CD1-CE3 3.87Å; L130-W156 HydrophobicContact CD1-CZ3 4.16Å; K133-W156 HydrophobicContact CD-CH2 4.22Å; K133-W156 HydrophobicContact CD-CZ3 4.22Å; F134-W156 HydrophobicContact CE2-CB 4.36Å; F134-W156 HydrophobicContact CE2-CD2 4.4Å; F134-W156 HydrophobicContact CE2-CE3 4.29Å; F134-W156 HydrophobicContact CE2-CG 4.41Å; F134-W156 HydrophobicContact CZ-CB 3.88Å; F134-W156 HydrophobicContact CZ-CD2 4.24Å; F134-W156 AromaticContact CZ-CG 3.88Å; F134-W156 HydrophobicContact CZ-CG 3.88Å; K152-W156 WeakPolarHBondContact O-CB 3.44Å; K152-W156 PolarHBondContact O-N 2.69Å; P153-W156 WeakPolarHBondContact O-CB 3.29Å; P153-W156 PolarHBondContact O-N 2.83Å; K154-W156 VanDerWaalsContact C-N 3.29Å; W156-L158 PolarHBondContact O-N 2.91Å; W156-F159 PolarHBondContact O-N 3.09Å; W156-D160 HydrophobicContact CZ2-CB 4Å; W156-D160 WeakPolarHBondContact CZ2-OD2 3.17Å; W156-D160 PolarHBondContact NE1-OD2 2.86Å; W156-D160 PolarHBondContact O-N 3.11Å; W156-E161 WeakPolarHBondContact CH2-OE1 3.47Å; W156-E161 WeakPolarHBondContact CZ3-OE1 3.33Å; W156-V305 VanDerWaalsContact CA-CG1 3.48Å; W156-V305 HydrophobicContact CB-CG1 3.49Å; W156-V305 VanDerWaalsContact CB-CG1 3.49Å; W156-V305 HydrophobicContact CG-CG1 4.24Å
157M82.8Confident83Confident30 Ų3060.6 Ų60.615%0.14829%0.285CS..Hα-helixtrans-61.7-23174-66.6-176.885.600113.7L130 P153 E161 S164L130-M157 HydrophobicContact CD1-CG 3.68Å; L130-M157 HydrophobicContact CD1-SD 3.79Å; L130-M157 HydrophobicContact CD2-CG 4.32Å; L130-M157 HydrophobicContact CD2-SD 3.51Å; L130-M157 VanDerWaalsContact CD2-SD 3.51Å; L130-M157 HydrophobicContact CG-SD 4.21Å; P153-M157 PolarHBondContact O-N 3.27Å; P153-M157 VanDerWaalsContact O-N 3.08Å; M157-E161 WeakPolarHBondContact CE-OE2 3.49Å; M157-E161 VanDerWaalsContact O-O 3.14Å; M157-S164 PolarHBondContact O-OG 2.79Å
158L86.3Confident83.1Confident50 Ų5054.4 Ų54.426%0.26225%0.253SS..Hα-helixtrans-76.3-30.5179.1-173.367.4000112.6K154 I155 W156 A168 I171K154-L158 WeakPolarHBondContact O-CB 3.28Å; K154-L158 PolarHBondContact O-N 3.24Å; K154-L158 VanDerWaalsContact O-N 3.16Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.25Å; W156-L158 PolarHBondContact O-N 2.91Å; L158-A168 HydrophobicContact CD1-CB 4.22Å; L158-I171 HydrophobicContact CD1-CD1 3.84Å; L158-I171 HydrophobicContact CD2-CD1 3.89Å; L158-I171 HydrophobicContact CG-CD1 3.61Å
159F85.7Confident83.3Confident17 Ų1752.9 Ų52.98%0.07525%0.25CS..Hα-helixtrans-109.5-29.1-174.5-84.4-98.3000115.2I155 W156 I171 F297 E298 I301 R302I155-F159 HydrophobicContact CG2-CD2 4.15Å; I155-F159 HydrophobicContact CG2-CE2 4.45Å; I155-F159 PolarHBondContact O-N 3.05Å; W156-F159 PolarHBondContact O-N 3.09Å; F159-I171 HydrophobicContact CD1-CG2 4.5Å; F159-I171 HydrophobicContact CE1-CG2 4.33Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CZ-CD1 4.37Å; F159-F297 HydrophobicContact CE1-CE1 4.36Å; F159-F297 HydrophobicContact CZ-CE1 4.17Å; F159-E298 HydrophobicContact CD1-CG 4.33Å; F159-I301 HydrophobicContact CD1-CB 4.4Å; F159-I301 HydrophobicContact CD1-CG2 4.09Å; F159-I301 HydrophobicContact CD2-CG2 3.68Å; F159-I301 HydrophobicContact CE1-CB 4.31Å; F159-I301 HydrophobicContact CE1-CD1 4.08Å; F159-I301 HydrophobicContact CE1-CG2 4.2Å; F159-I301 HydrophobicContact CE2-CD1 4.12Å; F159-I301 HydrophobicContact CE2-CG2 3.81Å; F159-I301 HydrophobicContact CG-CG2 3.83Å; F159-I301 HydrophobicContact CZ-CB 4.44Å; F159-I301 HydrophobicContact CZ-CD1 3.62Å; F159-I301 HydrophobicContact CZ-CG2 4.07Å; F159-R302 HydrophobicContact CB-CG 3.97Å; F159-R302 VanDerWaalsContact O-CZ 3.26Å; F159-R302 PolarHBondContact O-NE 2.87Å; F159-R302 PolarHBondContact O-NH2 3.47Å
160D80.9Confident83.8Confident40 Ų4055.5 Ų55.521%0.21426%0.264CS..THydrogen-bonded Turntrans-85.8-55.7171.2-96.4-19.2000111.1W156 C162 R302W156-D160 HydrophobicContact CZ2-CB 4Å; W156-D160 WeakPolarHBondContact CZ2-OD2 3.17Å; W156-D160 PolarHBondContact NE1-OD2 2.86Å; W156-D160 PolarHBondContact O-N 3.11Å; D160-C162 PolarHBondContact O-N 3.1Å; D160-R302 VanDerWaalsContact OD1-CD 3.31Å; D160-R302 WeakPolarHBondContact OD1-CD 3.49Å; D160-R302 IonicContact OD1-NE 2.82Å; D160-R302 PolarHBondContact OD1-NE 3.47Å
161E75.8Confident84.2Confident8 Ų850.1 Ų50.14%0.03725%0.246CC..  trans-84.781.3-174.1-69.1173-167.100112.3R125 W156 M157 Y163 S164 A168R125-E161 IonicContact CZ-OE1 2.68Å; R125-E161 IonicContact NE-OE1 2.69Å; R125-E161 PolarHBondContact NE-OE1 2.92Å; R125-E161 IonicContact NH2-OE1 2.72Å; R125-E161 PolarHBondContact NH2-OE1 2.9Å; W156-E161 WeakPolarHBondContact CH2-OE1 3.47Å; W156-E161 WeakPolarHBondContact CZ3-OE1 3.33Å; M157-E161 WeakPolarHBondContact CE-OE2 3.49Å; M157-E161 VanDerWaalsContact O-O 3.14Å; E161-Y163 PolarHBondContact O-N 3.23Å; E161-S164 WeakPolarHBondContact O-CB 3.41Å; E161-S164 PolarHBondContact O-N 2.99Å; E161-S164 PolarHBondContact O-OG 3.03Å; E161-S164 VanDerWaalsContact O-OG 3.05Å; E161-A168 WeakPolarHBondContact O-CB 3.29Å
162C74.5Confident84.3Confident10 Ų1044.1 Ų44.17%0.06823%0.225CC..THydrogen-bonded Turntrans-50.5-16.6-177.3-65.80000116D160 A168 K169 A172 H364D160-C162 PolarHBondContact O-N 3.1Å; C162-A168 CarbonylContact O-C 3.56Å; C162-A168 VanDerWaalsContact O-C 3.3Å; C162-K169 WeakPolarHBondContact O-CA 3.29Å; C162-K169 PolarHBondContact O-N 3.03Å; C162-A172 HydrophobicContact CB-CB 3.74Å; C162-H364 VanDerWaalsContact SG-CE1 3.55Å; C162-H364 PolarHBondContact SG-ND1 3.21Å; C162-H364 VanDerWaalsContact SG-ND1 3.35Å
163Y72.4Confident84.5Confident129 Ų12947.8 Ų47.851%0.50625%0.249SC..THydrogen-bonded Turntrans-113.6-0.8-178.5-60.5-68.8000114.8E161 S165 K169 H364E161-Y163 PolarHBondContact O-N 3.23Å; Y163-S165 PolarHBondContact O-N 3.03Å; Y163-K169 HydrophobicContact CD1-CG 4.42Å; Y163-H364 PolarHBondContact OH-O 2.94Å; Y163-H364 VanDerWaalsContact OH-O 3.07Å
164S73.9Confident84.9Confident13 Ų1350.7 Ų50.79%0.09126%0.264CS..SBendtrans-58-44.7-173.263.40000113.4R124 M157 E161 A168R124-S164 PolarHBondContact NE-O 3.46Å; R124-S164 PolarHBondContact NH2-O 3.01Å; M157-S164 PolarHBondContact O-OG 2.79Å; E161-S164 WeakPolarHBondContact O-CB 3.41Å; E161-S164 PolarHBondContact O-N 2.99Å; E161-S164 PolarHBondContact O-OG 3.03Å; E161-S164 VanDerWaalsContact O-OG 3.05Å; S164-A168 WeakPolarHBondContact OG-CB 3.5Å
165S83.5Confident85.3Confident43 Ų4346.4 Ų46.430%0.30125%0.246SC..SBendtrans-141.3168.5-171.264.20000111.6Y163 G167 A168 K169Y163-S165 PolarHBondContact O-N 3.03Å; S165-G167 VanDerWaalsContact C-N 3.3Å; S165-G167 PolarHBondContact O-N 3.21Å; S165-A168 PolarHBondContact O-N 3.34Å; S165-A168 WeakPolarHBondContact OG-CB 3.35Å; S165-A168 PolarHBondContact OG-N 3.35Å; S165-A168 VanDerWaalsContact OG-N 3.09Å; S165-K169 WeakPolarHBondContact O-CG 3.43Å; S165-K169 PolarHBondContact O-N 3.02Å; S165-K169 VanDerWaalsContact O-N 3.11Å
166L86.2Confident85.5Confident133 Ų13346.2 Ų46.270%0.69625%0.247SC*.Hα-helixtrans-62.1-39.1173.8-175.362.6000111.5K169 I170L166-K169 PolarHBondContact O-N 3.31Å; L166-I170 HydrophobicContact CG-CD1 4.21Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 2.93Å
167G88.6Confident85.8Confident30 Ų3051.4 Ų51.431%0.30927%0.27SS..Hα-helixtrans-62.3-41.9174.700000113S165 K169 I170 I171S165-G167 VanDerWaalsContact C-N 3.3Å; S165-G167 PolarHBondContact O-N 3.21Å; G167-K169 VanDerWaalsContact C-N 3.34Å; G167-K169 PolarHBondContact O-N 3.07Å; G167-I170 PolarHBondContact O-N 2.91Å; G167-I171 WeakPolarHBondContact O-CG1 3.28Å; G167-I171 PolarHBondContact O-N 3.45Å
168A87.4Confident86.3Confident1 Ų151.7 Ų51.71%0.00827%0.271CS..Hα-helixtrans-63.3-40.4176.600000111.6L158 E161 C162 S164 S165 I170 I171 A172L158-A168 HydrophobicContact CD1-CB 4.22Å; E161-A168 WeakPolarHBondContact O-CB 3.29Å; C162-A168 CarbonylContact O-C 3.56Å; C162-A168 VanDerWaalsContact O-C 3.3Å; S164-A168 WeakPolarHBondContact OG-CB 3.5Å; S165-A168 PolarHBondContact O-N 3.34Å; S165-A168 WeakPolarHBondContact OG-CB 3.35Å; S165-A168 PolarHBondContact OG-N 3.35Å; S165-A168 VanDerWaalsContact OG-N 3.09Å; A168-I170 PolarHBondContact O-N 3.09Å; A168-I171 PolarHBondContact O-N 3.15Å; A168-A172 VanDerWaalsContact O-CB 3.32Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.43Å
169K88.5Confident86.6Confident106 Ų10649.3 Ų49.346%0.46126%0.258SS..Hα-helixtrans-62.2-42.1174.4-69.7178.8179.6-172.20112.2C162 Y163 S165 L166 G167 A172 V173C162-K169 WeakPolarHBondContact O-CA 3.29Å; C162-K169 PolarHBondContact O-N 3.03Å; Y163-K169 HydrophobicContact CD1-CG 4.42Å; S165-K169 WeakPolarHBondContact O-CG 3.43Å; S165-K169 PolarHBondContact O-N 3.02Å; S165-K169 VanDerWaalsContact O-N 3.11Å; L166-K169 PolarHBondContact O-N 3.31Å; G167-K169 VanDerWaalsContact C-N 3.34Å; G167-K169 PolarHBondContact O-N 3.07Å; K169-A172 PolarHBondContact O-N 3.16Å; K169-V173 WeakPolarHBondContact O-CG2 3.38Å; K169-V173 PolarHBondContact O-N 2.94Å
170I92.2Very high86.9Confident92 Ų9251.7 Ų51.747%0.47227%0.274SS..Hα-helixtrans-63.7-46.3176.7-68.6164.6000110.5L166 G167 A168 A172 V173 I174L166-I170 HydrophobicContact CG-CD1 4.21Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 2.93Å; G167-I170 PolarHBondContact O-N 2.91Å; A168-I170 PolarHBondContact O-N 3.09Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 2.97Å; I170-V173 PolarHBondContact O-N 3.14Å; I170-I174 HydrophobicContact CG2-CD1 3.85Å; I170-I174 WeakPolarHBondContact O-CG1 3.44Å; I170-I174 PolarHBondContact O-N 3.34Å
171I91.7Very high87.5Confident32 Ų3252.3 Ų52.316%0.16428%0.277CS..Hα-helixtrans-62.5-39.1177.2-70.6164.2000111.4L158 F159 G167 A168 I174 S175L158-I171 HydrophobicContact CD1-CD1 3.84Å; L158-I171 HydrophobicContact CD2-CD1 3.89Å; L158-I171 HydrophobicContact CG-CD1 3.61Å; F159-I171 HydrophobicContact CD1-CG2 4.5Å; F159-I171 HydrophobicContact CE1-CG2 4.33Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CZ-CD1 4.37Å; G167-I171 WeakPolarHBondContact O-CG1 3.28Å; G167-I171 PolarHBondContact O-N 3.45Å; A168-I171 PolarHBondContact O-N 3.15Å; I171-I174 PolarHBondContact O-N 3.4Å; I171-S175 PolarHBondContact O-N 3.26Å; I171-S175 PolarHBondContact O-OG 3.4Å
172A89Confident88.2Confident13 Ų1352.3 Ų52.311%0.10728%0.278CS..Hα-helixtrans-65.3-37.8175.300000113C162 A168 K169 I170 S175 V176C162-A172 HydrophobicContact CB-CB 3.74Å; A168-A172 VanDerWaalsContact O-CB 3.32Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.43Å; K169-A172 PolarHBondContact O-N 3.16Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 2.97Å; A172-S175 WeakPolarHBondContact CA-OG 3.05Å; A172-S175 PolarHBondContact O-OG 2.86Å; A172-S175 VanDerWaalsContact O-OG 3.08Å; A172-V176 WeakPolarHBondContact O-CB 3.19Å; A172-V176 VanDerWaalsContact O-CG2 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 3.21Å; A172-V176 PolarHBondContact O-N 3.39Å
173V91.8Very high88.9Confident102 Ų10254.1 Ų54.162%0.61829%0.286SS*.Hα-helixtrans-65.6-41.8172.8169.80000110.9K169 I170 V176 F177K169-V173 WeakPolarHBondContact O-CG2 3.38Å; K169-V173 PolarHBondContact O-N 2.94Å; I170-V173 PolarHBondContact O-N 3.14Å; V173-V176 PolarHBondContact O-N 3.27Å; V173-F177 WeakPolarHBondContact O-CB 2.99Å; V173-F177 PolarHBondContact O-N 2.96Å
174I93.1Very high89.8Confident61 Ų6152.6 Ų52.631%0.31329%0.286SS..Hα-helixtrans-65.3-43177.6-65.9165.2000111.4I170 I171 F177 F178 W294I170-I174 HydrophobicContact CG2-CD1 3.85Å; I170-I174 WeakPolarHBondContact O-CG1 3.44Å; I170-I174 PolarHBondContact O-N 3.34Å; I171-I174 PolarHBondContact O-N 3.4Å; I174-F177 PolarHBondContact O-N 2.76Å; I174-F178 HydrophobicContact CG2-CD2 3.79Å; I174-F178 HydrophobicContact CG2-CE2 3.65Å; I174-F178 VanDerWaalsContact O-CD2 3.31Å; I174-F178 WeakPolarHBondContact O-CD2 3.41Å; I174-F178 PolarHBondContact O-N 2.77Å; I174-W294 HydrophobicContact CB-CZ2 4.25Å; I174-W294 HydrophobicContact CG2-CD2 4.43Å; I174-W294 HydrophobicContact CG2-CH2 3.82Å; I174-W294 HydrophobicContact CG2-CZ2 3.52Å; I174-W294 HydrophobicContact CG2-CZ3 4.39Å
175S92.1Very high90.5Very high1 Ų152.2 Ų52.21%0.00728%0.283CS..Hα-helixtrans-66.8-40.417761.20000112.1I171 A172 F178 I179 H364I171-S175 PolarHBondContact O-N 3.26Å; I171-S175 PolarHBondContact O-OG 3.4Å; A172-S175 WeakPolarHBondContact CA-OG 3.05Å; A172-S175 PolarHBondContact O-OG 2.86Å; A172-S175 VanDerWaalsContact O-OG 3.08Å; S175-F178 PolarHBondContact O-N 3.46Å; S175-I179 WeakPolarHBondContact O-CD1 3.19Å; S175-I179 WeakPolarHBondContact O-CG1 3.05Å; S175-I179 PolarHBondContact O-N 3.04Å; S175-H364 PolarHBondContact OG-CE1 3.45Å; S175-H364 PolarHBondContact OG-NE2 2.92Å
176V91.8Very high90.6Very high47 Ų4752.4 Ų52.429%0.28528%0.279SS..Hα-helixtrans-61.2-42.6172.6169.90000111.4A172 V173 I179 V180 L361 H364A172-V176 WeakPolarHBondContact O-CB 3.19Å; A172-V176 VanDerWaalsContact O-CG2 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 3.21Å; A172-V176 PolarHBondContact O-N 3.39Å; V173-V176 PolarHBondContact O-N 3.27Å; V176-I179 PolarHBondContact O-N 2.87Å; V176-V180 HydrophobicContact CG1-CG2 4.41Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 3.02Å; V176-L361 HydrophobicContact CG1-CD2 4.46Å; V176-L361 HydrophobicContact CG2-CD2 4.41Å; V176-H364 HydrophobicContact CG2-CB 3.82Å
177F93.7Very high90.7Very high122 Ų12249.7 Ų49.754%0.53527%0.27SS..Hα-helixtrans-58.3-48.5174.8173.8-97000112.1V173 I174 I179 V180 L181V173-F177 WeakPolarHBondContact O-CB 2.99Å; V173-F177 PolarHBondContact O-N 2.96Å; I174-F177 PolarHBondContact O-N 2.76Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 3.37Å; F177-V180 PolarHBondContact O-N 2.81Å; F177-L181 HydrophobicContact CE1-CD2 4.01Å; F177-L181 HydrophobicContact CZ-CD2 4.23Å; F177-L181 VanDerWaalsContact O-CB 3.29Å; F177-L181 WeakPolarHBondContact O-CB 3.41Å; F177-L181 PolarHBondContact O-N 2.71Å
178F93.5Very high90.6Very high36 Ų3652.1 Ų52.116%0.15828%0.276CS..Hα-helixtrans-65.8-32.7177.3-79-62000113.4I174 S175 L181 S182 I290 W294 F295I174-F178 HydrophobicContact CG2-CD2 3.79Å; I174-F178 HydrophobicContact CG2-CE2 3.65Å; I174-F178 VanDerWaalsContact O-CD2 3.31Å; I174-F178 WeakPolarHBondContact O-CD2 3.41Å; I174-F178 PolarHBondContact O-N 2.77Å; S175-F178 PolarHBondContact O-N 3.46Å; F178-L181 HydrophobicContact CD1-CD2 4.46Å; F178-S182 VanDerWaalsContact O-CB 3.29Å; F178-S182 WeakPolarHBondContact O-CB 3.27Å; F178-S182 PolarHBondContact O-N 3.33Å; F178-S182 PolarHBondContact O-OG 2.75Å; F178-I290 HydrophobicContact CE1-CG2 3.93Å; F178-I290 HydrophobicContact CZ-CG2 4.48Å; F178-W294 HydrophobicContact CB-CG 4.49Å; F178-W294 HydrophobicContact CD2-CB 3.93Å; F178-W294 AromaticContact CD2-CD1 3.51Å; F178-W294 AromaticContact CD2-CD2 3.74Å; F178-W294 HydrophobicContact CD2-CD2 3.74Å; F178-W294 HydrophobicContact CD2-CE3 4.48Å; F178-W294 AromaticContact CD2-CG 3.42Å; F178-W294 HydrophobicContact CD2-CG 3.42Å; F178-W294 VanDerWaalsContact CD2-CG 3.42Å; F178-W294 AromaticContact CD2-NE1 3.87Å; F178-W294 HydrophobicContact CE2-CB 4.14Å; F178-W294 AromaticContact CE2-CD2 3.74Å; F178-W294 HydrophobicContact CE2-CD2 3.74Å; F178-W294 HydrophobicContact CE2-CE3 4.02Å; F178-W294 AromaticContact CE2-CG 3.77Å; F178-W294 HydrophobicContact CE2-CG 3.77Å; F178-W294 HydrophobicContact CG-CB 4.2Å; F178-W294 HydrophobicContact CG-CG 4.05Å; F178-F295 HydrophobicContact CB-CE1 3.93Å; F178-F295 HydrophobicContact CB-CZ 4.26Å
179I91.9Very high90.5Very high0 Ų054.5 Ų54.50%029%0.286CS..Hα-helixtrans-62.3-55.4172.5-67.2159.8000109.9S175 V176 F177 L181 S182 I183 F295 K360 L361S175-I179 WeakPolarHBondContact O-CD1 3.19Å; S175-I179 WeakPolarHBondContact O-CG1 3.05Å; S175-I179 PolarHBondContact O-N 3.04Å; V176-I179 PolarHBondContact O-N 2.87Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 3.37Å; I179-L181 PolarHBondContact O-N 3.07Å; I179-S182 PolarHBondContact O-N 3.08Å; I179-S182 VanDerWaalsContact O-N 3.15Å; I179-S182 PolarHBondContact O-OG 3.34Å; I179-I183 HydrophobicContact CG2-CD1 3.7Å; I179-I183 WeakPolarHBondContact O-CG1 3.49Å; I179-I183 PolarHBondContact O-N 2.94Å; I179-F295 HydrophobicContact CG1-CE1 3.86Å; I179-F295 HydrophobicContact CG1-CZ 3.99Å; I179-K360 HydrophobicContact CD1-CB 3.94Å; I179-K360 HydrophobicContact CD1-CD 3.71Å; I179-K360 HydrophobicContact CD1-CG 3.64Å; I179-K360 HydrophobicContact CG1-CB 4.4Å; I179-K360 HydrophobicContact CG1-CD 3.91Å; I179-K360 HydrophobicContact CG1-CG 4.3Å; I179-L361 HydrophobicContact CB-CD2 4.21Å; I179-L361 HydrophobicContact CD1-CD2 4.04Å; I179-L361 HydrophobicContact CG2-CD2 3.71Å; I179-L361 HydrophobicContact CG2-CG 3.93Å
180V92.6Very high90.2Very high66 Ų6653.5 Ų53.540%0.429%0.289SS..Hα-helixtrans-59.3-46-179.7173.20000111.4V176 F177 S182 I183 L184V176-V180 HydrophobicContact CG1-CG2 4.41Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 3.02Å; F177-V180 PolarHBondContact O-N 2.81Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.93Å; V180-I183 PolarHBondContact O-N 3.01Å; V180-L184 HydrophobicContact CG1-CD1 3.85Å; V180-L184 HydrophobicContact CG1-CG 4.3Å; V180-L184 WeakPolarHBondContact O-CG 3.38Å; V180-L184 PolarHBondContact O-N 3.36Å
181L92.8Very high89.7Confident54 Ų5450.9 Ų50.928%0.28328%0.279SS..Hα-helixtrans-59.4-41.3176.5179.961.3000112F177 F178 I179 C185 I287F177-L181 HydrophobicContact CE1-CD2 4.01Å; F177-L181 HydrophobicContact CZ-CD2 4.23Å; F177-L181 VanDerWaalsContact O-CB 3.29Å; F177-L181 WeakPolarHBondContact O-CB 3.41Å; F177-L181 PolarHBondContact O-N 2.71Å; F178-L181 HydrophobicContact CD1-CD2 4.46Å; I179-L181 PolarHBondContact O-N 3.07Å; L181-C185 WeakPolarHBondContact O-CB 3.5Å; L181-C185 PolarHBondContact O-N 2.95Å; L181-I287 HydrophobicContact CD1-CG2 4.21Å; L181-I287 HydrophobicContact CD2-CG2 4.18Å; L181-I287 HydrophobicContact CG-CG2 3.87Å
182S91.3Very high88.9Confident7 Ų753.3 Ų53.35%0.04930%0.298CS..Hα-helixtrans-68.4-33.9178.377.40000113.2F178 I179 V180 F186F178-S182 VanDerWaalsContact O-CB 3.29Å; F178-S182 WeakPolarHBondContact O-CB 3.27Å; F178-S182 PolarHBondContact O-N 3.33Å; F178-S182 PolarHBondContact O-OG 2.75Å; I179-S182 PolarHBondContact O-N 3.08Å; I179-S182 VanDerWaalsContact O-N 3.15Å; I179-S182 PolarHBondContact O-OG 3.34Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.93Å; S182-F186 WeakPolarHBondContact O-CB 3.46Å; S182-F186 PolarHBondContact O-N 3.36Å
183I90Very high88.2Confident48 Ų4859.6 Ų59.625%0.24633%0.33CS..Hα-helixtrans-72.6-46.3176.5-66164.8000110.2I179 V180 C185 F186 C187 L358I179-I183 HydrophobicContact CG2-CD1 3.7Å; I179-I183 WeakPolarHBondContact O-CG1 3.49Å; I179-I183 PolarHBondContact O-N 2.94Å; V180-I183 PolarHBondContact O-N 3.01Å; I183-C185 VanDerWaalsContact C-N 3.32Å; I183-C185 PolarHBondContact O-N 3.15Å; I183-F186 WeakPolarHBondContact O-CB 3.46Å; I183-F186 PolarHBondContact O-N 3.37Å; I183-F186 VanDerWaalsContact O-N 3.16Å; I183-C187 PolarHBondContact O-N 2.62Å; I183-C187 PolarHBondContact O-SG 2.72Å; I183-C187 VanDerWaalsContact O-SG 3.34Å; I183-L358 HydrophobicContact CD1-CB 4.35Å; I183-L358 HydrophobicContact CD1-CD1 3.96Å
184L90.4Very high87.2Confident98 Ų9858.1 Ų58.151%0.51332%0.318SS..Hα-helixtrans-59.9-42.8174.4-70.1173000111.4V180 F186 C187 L188V180-L184 HydrophobicContact CG1-CD1 3.85Å; V180-L184 HydrophobicContact CG1-CG 4.3Å; V180-L184 WeakPolarHBondContact O-CG 3.38Å; V180-L184 PolarHBondContact O-N 3.36Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 2.74Å; L184-C187 PolarHBondContact O-N 2.69Å; L184-L188 WeakPolarHBondContact O-CB 3.18Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.18Å; L184-L188 PolarHBondContact O-N 3.44Å
185C88.9Confident86.1Confident4 Ų460.4 Ų60.43%0.02732%0.323CS..Hα-helixtrans-58-43.9173.9-1770000111.9L181 I183 K189 I287L181-C185 WeakPolarHBondContact O-CB 3.5Å; L181-C185 PolarHBondContact O-N 2.95Å; I183-C185 VanDerWaalsContact C-N 3.32Å; I183-C185 PolarHBondContact O-N 3.15Å; C185-K189 VanDerWaalsContact O-CB 3.24Å; C185-K189 WeakPolarHBondContact O-CB 3.19Å; C185-K189 PolarHBondContact O-N 3.34Å; C185-I287 HydrophobicContact CB-CG2 3.84Å
186F86Confident84.9Confident47 Ų4764.6 Ų64.621%0.20635%0.345CS..Hα-helixtrans-63.7-47.4176.4178-100.9000112.2S182 I183 L184 L188 K189 T190 S351 R354 I355S182-F186 WeakPolarHBondContact O-CB 3.46Å; S182-F186 PolarHBondContact O-N 3.36Å; I183-F186 WeakPolarHBondContact O-CB 3.46Å; I183-F186 PolarHBondContact O-N 3.37Å; I183-F186 VanDerWaalsContact O-N 3.16Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 2.74Å; F186-L188 PolarHBondContact O-N 2.91Å; F186-K189 WeakPolarHBondContact O-CB 3.18Å; F186-K189 PolarHBondContact O-N 2.98Å; F186-T190 PolarHBondContact O-N 3.06Å; F186-T190 PolarHBondContact O-OG1 3.48Å; F186-S351 WeakPolarHBondContact CE2-O 3.08Å; F186-R354 HydrophobicContact CD2-CB 4.12Å; F186-R354 HydrophobicContact CE2-CB 4.1Å; F186-I355 HydrophobicContact CD1-CG1 4.45Å; F186-I355 HydrophobicContact CE1-CD1 4.02Å; F186-I355 HydrophobicContact CE1-CG1 3.6Å; F186-I355 HydrophobicContact CZ-CD1 4.17Å; F186-I355 HydrophobicContact CZ-CG1 3.82Å
187C87.4Confident83.7Confident76 Ų7665.2 Ų65.251%0.51435%0.35SS..Hα-helixtrans-62-43.3177.3-64.10000112.4I183 L184 T190 S191I183-C187 PolarHBondContact O-N 2.62Å; I183-C187 PolarHBondContact O-SG 2.72Å; I183-C187 VanDerWaalsContact O-SG 3.34Å; L184-C187 PolarHBondContact O-N 2.69Å; C187-T190 PolarHBondContact O-N 3.33Å; C187-S191 PolarHBondContact O-N 2.81Å
188L87.4Confident82.2Confident82 Ų8263.3 Ų63.343%0.42934%0.344SS..Hα-helixtrans-68.4-34.6179-69.7172000112.6L184 F186 T190 S191 L194 F284L184-L188 WeakPolarHBondContact O-CB 3.18Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.18Å; L184-L188 PolarHBondContact O-N 3.44Å; F186-L188 PolarHBondContact O-N 2.91Å; L188-T190 PolarHBondContact O-N 2.88Å; L188-S191 VanDerWaalsContact O-CB 3.23Å; L188-S191 WeakPolarHBondContact O-CB 3.46Å; L188-S191 PolarHBondContact O-N 3.22Å; L188-S191 VanDerWaalsContact O-N 3.08Å; L188-L194 HydrophobicContact CB-CD1 3.96Å; L188-L194 HydrophobicContact CD2-CD1 3.81Å; L188-L194 HydrophobicContact CG-CD1 4.41Å; L188-F284 HydrophobicContact CB-CE1 3.86Å; L188-F284 HydrophobicContact CB-CZ 4.3Å
189K83.9Confident80.8Confident51 Ų5166.3 Ų66.322%0.22236%0.361CS..Hα-helixtrans-61.2-30.1173.8-171.1178.7-176.6-179.60112.5C185 F186 E288C185-K189 VanDerWaalsContact O-CB 3.24Å; C185-K189 WeakPolarHBondContact O-CB 3.19Å; C185-K189 PolarHBondContact O-N 3.34Å; F186-K189 WeakPolarHBondContact O-CB 3.18Å; F186-K189 PolarHBondContact O-N 2.98Å; K189-E288 IonicContact NZ-OE1 2.81Å; K189-E288 PolarHBondContact NZ-OE1 3.46Å; K189-E288 IonicContact NZ-OE2 3.15Å; K189-E288 PolarHBondContact NZ-OE2 3.37Å
190T82.4Confident79.4Confident84 Ų8469.8 Ų69.852%0.51538%0.375SS..Hα-helixtrans-82-14.8175.9-55.40000113.2F186 C187 L188 R195F186-T190 PolarHBondContact O-N 3.06Å; F186-T190 PolarHBondContact O-OG1 3.48Å; C187-T190 PolarHBondContact O-N 3.33Å; L188-T190 PolarHBondContact O-N 2.88Å; T190-R195 PolarHBondContact O-NH2 2.95Å
191S81.9Confident77.6Confident37 Ų3772.4 Ų72.426%0.25939%0.387SS..  trans-59.1142.4175-1750000111.8C187 L188 N193 R195C187-S191 PolarHBondContact O-N 2.81Å; L188-S191 VanDerWaalsContact O-CB 3.23Å; L188-S191 WeakPolarHBondContact O-CB 3.46Å; L188-S191 PolarHBondContact O-N 3.22Å; L188-S191 VanDerWaalsContact O-N 3.08Å; S191-N193 VanDerWaalsContact C-N 3.31Å; S191-N193 PolarHBondContact OG-N 3.4Å; S191-R195 WeakPolarHBondContact O-CG 3.33Å; S191-R195 PolarHBondContact O-NE 3.08Å
192S74.6Confident76Confident83 Ų8371.8 Ų71.858%0.5838%0.384SS*.SBendtrans-66.5-34.7169.648.40000111.9L194 R195S192-L194 VanDerWaalsContact C-N 3.29Å; S192-L194 PolarHBondContact O-N 3.12Å; S192-R195 PolarHBondContact O-N 2.95Å
193N74.6Confident74.3Confident145 Ų14575.7 Ų75.778%0.77541%0.408SS*.THydrogen-bonded Turntrans-77.7-16.5-169-59.5-6.7000112.8S191S191-N193 VanDerWaalsContact C-N 3.31Å; S191-N193 PolarHBondContact OG-N 3.4Å
194L71Confident72.5Confident71 Ų7175.3 Ų75.337%0.37241%0.407SS..THydrogen-bonded Turntrans-108.410.3-179.3-65.6163.9000112.4L188 S192 F284L188-L194 HydrophobicContact CB-CD1 3.96Å; L188-L194 HydrophobicContact CD2-CD1 3.81Å; L188-L194 HydrophobicContact CG-CD1 4.41Å; S192-L194 VanDerWaalsContact C-N 3.29Å; S192-L194 PolarHBondContact O-N 3.12Å; L194-F284 HydrophobicContact CB-CE2 4.22Å; L194-F284 HydrophobicContact CB-CZ 4.12Å; L194-F284 HydrophobicContact CD1-CZ 4.14Å; L194-F284 HydrophobicContact CG-CZ 4.5Å
195R70.4Confident70.3Confident110 Ų11076 Ų7642%0.41541%0.411SS..EExtended strand (participates in β ladder)trans-107.599.4-174.5-100.4-164.6-74.4171.7-5110T190 S191 S192 I278T190-R195 PolarHBondContact O-NH2 2.95Å; S191-R195 WeakPolarHBondContact O-CG 3.33Å; S191-R195 PolarHBondContact O-NE 3.08Å; S192-R195 PolarHBondContact O-N 2.95Å; R195-I278 HydrophobicContact CB-CG2 3.48Å; R195-I278 VanDerWaalsContact CB-CG2 3.48Å; R195-I278 HydrophobicContact CG-CG2 3.87Å
196I67.3Low68.2Low89 Ų8982.7 Ų82.746%0.45644%0.441SS..EExtended strand (participates in β ladder)trans-83125.7-169.8-56.7171.5000109.8K279 H281I196-K279 PolarHBondContact N-O 3.24Å; I196-K279 VanDerWaalsContact N-O 3.16Å; I196-K279 PolarHBondContact O-N 3.41Å; I196-H281 HydrophobicContact CD1-CB 4.18Å
197P65.2Low65.9Low60 Ų6086.5 Ų86.539%0.3946%0.462SS..EExtended strand (participates in β ladder)trans-76.8125.8176.630.6-33000110.8L199P197-L199 HydrophobicContact CB-CD2 4.3Å; P197-L199 PolarHBondContact O-N 3.39Å
198I62.2Low63.3Low81 Ų8191.3 Ų91.342%0.41548%0.477SS..EExtended strand (participates in β ladder)trans-82.1105.6167.6-58.1176.6000107.4R276 M277 K279I198-R276 PolarHBondContact O-N 3.26Å; I198-M277 PolarHBondContact N-O 2.87Å; I198-K279 HydrophobicContact CD1-CB 3.98Å; I198-K279 HydrophobicContact CD1-CD 4.3Å; I198-K279 HydrophobicContact CG1-CB 4.5Å
199L65.1Low60.9Low100 Ų10091.7 Ų91.752%0.52449%0.487SS..EExtended strand (participates in β ladder)trans-81.4144.9175.3-55.7179.8000110P197 I273 K275P197-L199 HydrophobicContact CB-CD2 4.3Å; P197-L199 PolarHBondContact O-N 3.39Å; L199-I273 HydrophobicContact CB-CG2 3.87Å; L199-I273 HydrophobicContact CD1-CG2 4.2Å; L199-I273 HydrophobicContact CD2-CG2 4.09Å; L199-I273 HydrophobicContact CG-CG2 4.27Å; L199-K275 HydrophobicContact CD2-CG 3.85Å
200Y61.4Low58.5Low73 Ų7398.4 Ų98.429%0.28652%0.516SS..EExtended strand (participates in β ladder)trans-138.6148166.674.6-72.6000110.1D202 I273 R274 R276Y200-D202 HydrophobicContact CD2-CB 4.09Å; Y200-D202 HydrophobicContact CE2-CB 3.55Å; Y200-D202 WeakPolarHBondContact CE2-OD2 3.04Å; Y200-D202 PolarHBondContact OH-OD2 2.97Å; Y200-I273 WeakPolarHBondContact O-CA 3.35Å; Y200-R274 HydrophobicContact CD1-CB 4.17Å; Y200-R274 WeakPolarHBondContact CD1-O 3.29Å; Y200-R274 HydrophobicContact CE1-CB 3.39Å; Y200-R274 WeakPolarHBondContact CE1-O 3.27Å; Y200-R274 PolarHBondContact N-O 2.89Å; Y200-R274 VanDerWaalsContact N-O 3.13Å; Y200-R274 PolarHBondContact O-N 3.42Å; Y200-R276 HydrophobicContact CD1-CB 3.66Å; Y200-R276 HydrophobicContact CD1-CG 4.4Å; Y200-R276 HydrophobicContact CE1-CB 3.57Å; Y200-R276 HydrophobicContact CE1-CG 3.98Å
201N56.4Low56.1Low120 Ų120103.3 Ų103.364%0.64253%0.533SS*.EExtended strand (participates in β ladder)trans-82.2130.5171.6-67.64.5000108.5
202D58.6Low53.8Low41 Ų41108.4 Ų108.422%0.21956%0.556CS.*EExtended strand (participates in β ladder)trans-128107.6-178.5-160.1-27.2000108Y200 T204 T272 R274Y200-D202 HydrophobicContact CD2-CB 4.09Å; Y200-D202 HydrophobicContact CE2-CB 3.55Å; Y200-D202 WeakPolarHBondContact CE2-OD2 3.04Å; Y200-D202 PolarHBondContact OH-OD2 2.97Å; D202-T204 PolarHBondContact O-N 3.47Å; D202-T272 PolarHBondContact N-O 3.02Å; D202-T272 PolarHBondContact O-N 3.5Å; D202-T272 PolarHBondContact O-OG1 3.39Å; D202-R274 IonicContact OD1-NH2 3.13Å; D202-R274 PolarHBondContact OD1-NH2 3.4Å; D202-R274 VanDerWaalsContact OD1-NH2 3.15Å; D202-R274 IonicContact OD2-CZ 3.19Å; D202-R274 IonicContact OD2-NE 2.77Å; D202-R274 PolarHBondContact OD2-NE 2.86Å; D202-R274 IonicContact OD2-NH2 2.79Å; D202-R274 PolarHBondContact OD2-NH2 2.88Å
203T55Low51.5Low90 Ų90110.5 Ų110.555%0.55257%0.57SS**EExtended strand (participates in β ladder)trans-88.994.1-176.349.40000109.7I205T203-I205 PolarHBondContact O-N 3.01Å
204T52.6Low49.4Very low39 Ų39107.4 Ų107.424%0.23956%0.557CS.*EExtended strand (participates in β ladder)trans-80.9104.9177.248.40000110.2D202 Q206 V270D202-T204 PolarHBondContact O-N 3.47Å; T204-Q206 PolarHBondContact O-N 3.11Å; T204-Q206 VanDerWaalsContact O-N 3.16Å; T204-V270 PolarHBondContact N-O 3.36Å; T204-V270 PolarHBondContact OG1-O 3Å
205I44.5Very low47.3Very low114 Ų114111.9 Ų111.959%0.58558%0.581SS**  trans-66.6110.9166.7-55.9176.8000107.6T203 I207T203-I205 PolarHBondContact O-N 3.01Å; I205-I207 VanDerWaalsContact C-N 3.26Å; I205-I207 HydrophobicContact CG2-CG1 3.87Å; I205-I207 PolarHBondContact O-N 2.96Å
206Q43.3Very low45.4Very low143 Ų143115.2 Ų115.267%0.66860%0.595SS**  trans-75.274.7176.9-79.6-774.800110.7T204 Q208T204-Q206 PolarHBondContact O-N 3.11Å; T204-Q206 VanDerWaalsContact O-N 3.16Å; Q206-Q208 PolarHBondContact O-N 3.33Å; Q206-Q208 VanDerWaalsContact O-N 3.12Å
207I39.4Very low43.5Very low127 Ų127121 Ų12165%0.65162%0.617SS**  trans-69.5107.7170.1-56.2-178.9000108I205 S209I205-I207 VanDerWaalsContact C-N 3.26Å; I205-I207 HydrophobicContact CG2-CG1 3.87Å; I205-I207 PolarHBondContact O-N 2.96Å; I207-S209 PolarHBondContact O-N 3.18Å
208Q32.7Very low41.9Very low177 Ų177123.8 Ų123.883%0.82763%0.633SS**  trans-71.160.7172.9-70.5-165.3200112.3Q206 K210Q206-Q208 PolarHBondContact O-N 3.33Å; Q206-Q208 VanDerWaalsContact O-N 3.12Å; Q208-K210 PolarHBondContact O-N 3.39Å
209S36.6Very low40.2Very low90 Ų90125.3 Ų125.363%0.62965%0.651SS**  trans-76.59117159.30000110.3I207 H211I207-S209 PolarHBondContact O-N 3.18Å; S209-H211 PolarHBondContact O-N 2.72Å
210K33Very low38.6Very low193 Ų193128.4 Ų128.484%0.83967%0.667SS**  trans-53.7120.7160.1-72.1175.5178.7170.80108.4Q208Q208-K210 PolarHBondContact O-N 3.39Å
211H31.9Very low37.1Very low186 Ų186132.9 Ų132.986%0.86169%0.69SS**SBendtrans38.389.4168.2-88.8-94.3000116.9S209S209-H211 PolarHBondContact O-N 2.72Å
212I34.3Very low35.8Very low144 Ų144136.4 Ų136.474%0.73870%0.696SS**  trans-158.2130.9139.7-99.9142000108.7
213S26.8Very low34.5Very low128 Ų128140.8 Ų140.890%0.89572%0.718SS**  trans-93.8109.6176.1-560000110.1
214T30.3Very low33.4Very low80 Ų80140.4 Ų140.449%0.49172%0.717SS.*  trans-142.2145.5167.730.40000112Y216T214-Y216 PolarHBondContact OG1-OH 2.89Å
215N25.5Very low32.5Very low164 Ų164149.8 Ų149.888%0.87775%0.749SS**  trans-84122.4-171.8-72.7-76.6000112.4
216Y32Very low32Very low181 Ų181149.1 Ų149.171%0.7176%0.755SS**  trans-128.486.9166.5-40.8-66.4000110.6T214 T218T214-Y216 PolarHBondContact OG1-OH 2.89Å; Y216-T218 VanDerWaalsContact C-N 3.28Å; Y216-T218 PolarHBondContact O-N 3.5Å
217K26.6Very low31.4Very low211 Ų211148.2 Ų148.292%0.91776%0.759SS**  trans-74.284.3163.2-94.2-170.8172.1-175.30108.5S219K217-S219 PolarHBondContact O-N 3.47Å
218T31.3Very low31.1Very low117 Ų117149.7 Ų149.772%0.71877%0.768SS**  trans-73.188.9177.1-48.90000110.4Y216 L220Y216-T218 VanDerWaalsContact C-N 3.28Å; Y216-T218 PolarHBondContact O-N 3.5Å; T218-L220 PolarHBondContact O-N 3.45Å
219S26.9Very low31.1Very low114 Ų114146.2 Ų146.280%0.79776%0.763SS**  trans-63.4127.6166.354.40000110.1K217K217-S219 PolarHBondContact O-N 3.47Å
220L31.6Very low31.1Very low164 Ų164147.8 Ų147.886%0.85977%0.774SS**  trans-131.9142.4170.7-114168.6000111.1T218T218-L220 PolarHBondContact O-N 3.45Å
221H29.6Very low31.2Very low167 Ų167144 Ų14477%0.77377%0.772SS**  trans-87.7146.6-153.4-142.8-93.1000112.9
222Y28.4Very low31.5Very low195 Ų195140.9 Ų140.977%0.76577%0.771SS**  trans-78.2124.8171.5-167.7-99.5000109.9P224Y222-P224 HydrophobicContact CD1-CG 4.38Å; Y222-P224 HydrophobicContact CE1-CB 3.9Å; Y222-P224 HydrophobicContact CE1-CG 4.02Å
223I32.3Very low31.7Very low132 Ų132139.3 Ų139.368%0.67777%0.773SS**  trans-129.7108.7169-57.5179.1000107.2
224P31.8Very low32.1Very low83 Ų83139 Ų13954%0.53977%0.768SS.*  trans-79.6126.5173.530.9-29.9000109.9Y222 S226Y222-P224 HydrophobicContact CD1-CG 4.38Å; Y222-P224 HydrophobicContact CE1-CB 3.9Å; Y222-P224 HydrophobicContact CE1-CG 4.02Å; P224-S226 PolarHBondContact O-N 2.9Å
225Y33.1Very low32.9Very low235 Ų235141.4 Ų141.492%0.92279%0.785SS**  trans-67.2126.6176.8-73.9-89.5000111.5
226S34.6Very low33.7Very low100 Ų100138.9 Ų138.970%0.69978%0.78SS**  trans-143.3136.3166.563.40000110.8P224P224-S226 PolarHBondContact O-N 2.9Å
227T31.2Very low33.9Very low124 Ų124135.9 Ų135.976%0.76178%0.783SS**  trans68.5142.3163.363.60000119.8
228L32.6Very low34.8Very low158 Ų158132.2 Ų132.283%0.82778%0.781SS**  trans55.9118.4172.8-74.967.2000116.8
229S32.2Very low34.9Very low104 Ų104131.8 Ų131.873%0.72778%0.782SS**  cis86.492.135.783.70000116.1
230S36.4Very low35.3Very low123 Ų123134.1 Ų134.186%0.8679%0.785SS**  trans-172.3156.9134.546.10000112.6
231S35.6Very low35.6Very low113 Ų113131.1 Ų131.179%0.7978%0.778SS**  trans-48.1138.5-177.949.30000119.2
232S37.7Very low35.8Very low122 Ų122128.3 Ų128.385%0.85378%0.777SS**  -167.8153.9113.950.50000113.3
233S39.6Very low36.2Very low111 Ų111124.5 Ų124.578%0.77678%0.776SS**PPolyproline II helixtrans-61.1147.5-169.548.30000118.3
234P35.1Very low36.3Very low121 Ų121123.4 Ų123.479%0.78678%0.78SS**PPolyproline II helixtrans-95.8156.9167.738-33.7000113.9
235P47.3Very low36.2Very low131 Ų131125 Ų12585%0.85179%0.793SS**PPolyproline II helixtrans-83.4164.2162.5-927.7000113.3
236S41.7Very low36.2Very low110 Ų110118.6 Ų118.677%0.76978%0.778SS**PPolyproline II helixtrans-92.9153.8-172.949.10000115.3
237P36.8Very low35.9Very low119 Ų119125.3 Ų125.377%0.77379%0.79SS**PPolyproline II helixtrans-88147.817135.2-33.6000112.5
238P44.7Very low35.8Very low134 Ų134128.9 Ų128.987%0.8779%0.79SS**PPolyproline II helixtrans-81.4146.816733.4-33.2000111.9
239S34.5Very low35.7Very low108 Ų108129.4 Ų129.476%0.75579%0.787SS**PPolyproline II helixtrans-93.9146-179.555.60000113.3
240L34.9Very low35.7Very low162 Ų162131.2 Ų131.285%0.84879%0.787SS**  trans-156.7135.5140.5-137.471000114.3
241S36.8Very low35.3Very low101 Ų101132.8 Ų132.871%0.70679%0.786SS**  trans23.2115.4153.558.60000121.6
242S34.2Very low35.2Very low109 Ų109132.8 Ų132.876%0.76278%0.782SS**  trans-72.3-179.9139.459.40000110.6
243P37.2Very low34.8Very low115 Ų115136.2 Ų136.275%0.74778%0.784SS**  cis-121.3175.6-0.940.5-23.7000112.7
244S34Very low34.6Very low109 Ų109139.4 Ų139.476%0.76279%0.786SS**  175.2173.978.546.60000112.6
245S29.4Very low34.4Very low115 Ų115140.8 Ų140.880%0.80479%0.785SS**  trans-67.9125.2-169.651.40000115.2
246V34Very low33.8Very low101 Ų101139.7 Ų139.761%0.61278%0.778SS**  trans-134.691.2154.7-173.20000109.5R248V246-R248 HydrophobicContact CG1-CB 4.07Å; V246-R248 PolarHBondContact O-N 3.09Å
247Y27.6Very low33.3Very low241 Ų241143.7 Ų143.795%0.94579%0.785SS**  trans-76.4112.1161.8-140.4-93.4000106.3
248R30.2Very low33.2Very low200 Ų200143 Ų14376%0.75578%0.782SS**  trans-128.5132179.6-144.4178.3-74.9177.5-3.2111.5V246V246-R248 HydrophobicContact CG1-CB 4.07Å; V246-R248 PolarHBondContact O-N 3.09Å
249H28.9Very low32.7Very low168 Ų168146.4 Ų146.478%0.77878%0.784SS**  trans-57.8143.8167-72.6-121.8000110.1
250I33.8Very low32.5Very low143 Ų143148.4 Ų148.473%0.73379%0.786SS**  trans-119.982.4161.9-57.8-176.5000107.5T252I250-T252 HydrophobicContact CG2-CG2 3.84Å
251N27Very low32.7Very low156 Ų156149.1 Ų149.183%0.83479%0.785SS**  trans-79.5110.2152.6-90-4.7000106.8
252T33.9Very low32.7Very low113 Ų113150.1 Ų150.169%0.69378%0.782SS**  trans-139.374168.853.10000111.2I250 H254I250-T252 HydrophobicContact CG2-CG2 3.84Å; T252-H254 PolarHBondContact O-N 3.19Å
253H29.3Very low32.9Very low193 Ų193152.9 Ų152.989%0.89478%0.783SS**  trans-65.7111.6130.8-100.8-102.2000106.2
254H36Very low33Very low179 Ų179154.6 Ų154.683%0.82979%0.786SS**  trans-166.9134.3146.2-115.2-75.6000111T252T252-H254 PolarHBondContact O-N 3.19Å
255I31.3Very low33.1Very low150 Ų150156.3 Ų156.377%0.76979%0.786SS**  trans-85.1135.3164.6-61.4163000107.3
256P33.5Very low33.8Very low108 Ų108156.9 Ų156.970%0.70178%0.78SS**  trans-114.8131.5155.19.611.5000110.9
257Q31.2Very low34.2Very low194 Ų194158.7 Ų158.791%0.90779%0.787SS**  trans-91.3118.6160.4-67.7172.1-50.800108.5
258S34.8Very low35.3Very low104 Ų104153 Ų15373%0.72777%0.772SS**  trans-150.1111.5158.543.80000108.6
259F33.9Very low36.2Very low206 Ų206147.8 Ų147.890%0.90476%0.76SS**  79.1119.484.2-127.5-86000112.1
260N30.6Very low37.4Very low149 Ų149143.2 Ų143.280%0.79774%0.743SS**  trans-71.3138.8-177.7-59.6-33000111.1
261H39Very low38.3Very low178 Ų178145.8 Ų145.882%0.82474%0.744SS**  trans-153168.6138.3-119-42.7000110.4
262D36.9Very low39.9Very low121 Ų121140.1 Ų140.165%0.64772%0.715SS**  trans-99166-150.4-49.4-93.4000114.5
263H38.6Very low41.1Very low168 Ų168139.9 Ų139.978%0.77871%0.709SS**  trans38.4102.1155.4-74.4-69.7000118.8
264N38.2Very low42.5Very low151 Ų151135.3 Ų135.381%0.80768%0.683SS**  -151.8136108.1-133.6-17.3000111.9N266N264-N266 PolarHBondContact O-N 3.34Å
265D37.4Very low43.6Very low145 Ų145134.4 Ų134.478%0.77568%0.677SS**  trans-81.796.4178.7-77.1-60.7000110.8
266N43Very low44.6Very low126 Ų126135.6 Ų135.667%0.67467%0.672SS**  trans-111.3129.2162.3-85.7-38.3000110N264 D268N264-N266 PolarHBondContact O-N 3.34Å; N266-D268 PolarHBondContact O-N 3.39Å
267N43.7Very low45.8Very low140 Ų140134 Ų13475%0.74966%0.656SS**  trans-76.672.3171.5-78.3-69.3000109.9N269N267-N269 PolarHBondContact O-N 3.38Å; N267-N269 PolarHBondContact O-ND2 3.06Å
268D50.3Low47.3Very low121 Ų121129.6 Ų129.665%0.64764%0.637SS**  trans-66.695.3177.2-79.2-1.9000109.9N266 V270N266-D268 PolarHBondContact O-N 3.39Å; D268-V270 PolarHBondContact O-N 3.25Å
269N49.6Very low48.8Very low91 Ų91131.1 Ų131.149%0.48763%0.631SS.*  trans-70.475.9179-74.9-63.1000110.9N267 W271N267-N269 PolarHBondContact O-N 3.38Å; N267-N269 PolarHBondContact O-ND2 3.06Å; N269-W271 PolarHBondContact O-N 3.42Å
270V54.2Low50.7Low72 Ų72122.9 Ų122.944%0.43660%0.599SS.*EExtended strand (participates in β ladder)trans-62.3104179.5-175.60000110.2T204 D268 T272T204-V270 PolarHBondContact N-O 3.36Å; T204-V270 PolarHBondContact OG1-O 3Å; D268-V270 PolarHBondContact O-N 3.25Å; V270-T272 HydrophobicContact CG1-CG2 4.02Å
271W52.3Low53.1Low196 Ų196119.8 Ų119.874%0.74258%0.579SS**EExtended strand (participates in β ladder)trans-76.3118.716944.377.4000109.9N269N269-W271 PolarHBondContact O-N 3.42Å
272T59.5Low55.2Low37 Ų37115.8 Ų115.823%0.22756%0.563CS.*EExtended strand (participates in β ladder)trans-108.8127.3173.763.10000109.9D202 V270 R274D202-T272 PolarHBondContact N-O 3.02Å; D202-T272 PolarHBondContact O-N 3.5Å; D202-T272 PolarHBondContact O-OG1 3.39Å; V270-T272 HydrophobicContact CG1-CG2 4.02Å; T272-R274 PolarHBondContact O-N 3.29Å; T272-R274 PolarHBondContact OG1-NH1 2.91Å; T272-R274 VanDerWaalsContact OG1-NH1 3.09Å
273I60.4Low57.6Low109 Ų109114.8 Ų114.856%0.55956%0.558SS**EExtended strand (participates in β ladder)trans-86.2101.5174.3-56.4-179.2000107.8L199 Y200L199-I273 HydrophobicContact CB-CG2 3.87Å; L199-I273 HydrophobicContact CD1-CG2 4.2Å; L199-I273 HydrophobicContact CD2-CG2 4.09Å; L199-I273 HydrophobicContact CG-CG2 4.27Å; Y200-I273 WeakPolarHBondContact O-CA 3.35Å
274R57.8Low59.9Low97 Ų97107.8 Ų107.837%0.36653%0.525SS..EExtended strand (participates in β ladder)trans-95.4142.7178.6-75.2-165.7-96-101.613.4110.9Y200 D202 T272Y200-R274 HydrophobicContact CD1-CB 4.17Å; Y200-R274 WeakPolarHBondContact CD1-O 3.29Å; Y200-R274 HydrophobicContact CE1-CB 3.39Å; Y200-R274 WeakPolarHBondContact CE1-O 3.27Å; Y200-R274 PolarHBondContact N-O 2.89Å; Y200-R274 VanDerWaalsContact N-O 3.13Å; Y200-R274 PolarHBondContact O-N 3.42Å; D202-R274 IonicContact OD1-NH2 3.13Å; D202-R274 PolarHBondContact OD1-NH2 3.4Å; D202-R274 VanDerWaalsContact OD1-NH2 3.15Å; D202-R274 IonicContact OD2-CZ 3.19Å; D202-R274 IonicContact OD2-NE 2.77Å; D202-R274 PolarHBondContact OD2-NE 2.86Å; D202-R274 IonicContact OD2-NH2 2.79Å; D202-R274 PolarHBondContact OD2-NH2 2.88Å; T272-R274 PolarHBondContact O-N 3.29Å; T272-R274 PolarHBondContact OG1-NH1 2.91Å; T272-R274 VanDerWaalsContact OG1-NH1 3.09Å
275K59.3Low62Low160 Ų160103.5 Ų103.570%0.69651%0.507SS*.EExtended strand (participates in β ladder)trans-87.3103.7173.3-65.1174.6-177.1175.10107.5L199L199-K275 HydrophobicContact CD2-CG 3.85Å
276R52.7Low64.5Low175 Ų175103.6 Ų103.666%0.6650%0.497SS*.EExtended strand (participates in β ladder)trans-82.2-45-176.5-154.7171.171.4-164.42.6113I198 Y200I198-R276 PolarHBondContact O-N 3.26Å; Y200-R276 HydrophobicContact CD1-CB 3.66Å; Y200-R276 HydrophobicContact CD1-CG 4.4Å; Y200-R276 HydrophobicContact CE1-CB 3.57Å; Y200-R276 HydrophobicContact CE1-CG 3.98Å
277M58.4Low66.8Low73 Ų73100.1 Ų100.136%0.3648%0.478SS..EExtended strand (participates in β ladder)trans-148.5143-173.7-59.3-176.88200109.5I198 Y344I198-M277 PolarHBondContact N-O 2.87Å; M277-Y344 HydrophobicContact CE-CE1 3.58Å; M277-Y344 HydrophobicContact CE-CE2 4.46Å; M277-Y344 WeakPolarHBondContact CE-OH 3.44Å
278I62Low68.9Low102 Ų10294.1 Ų94.152%0.52345%0.445SS..EExtended strand (participates in β ladder)trans-104.6114173.1-61.9175.3000106.6R195R195-I278 HydrophobicContact CB-CG2 3.48Å; R195-I278 VanDerWaalsContact CB-CG2 3.48Å; R195-I278 HydrophobicContact CG-CG2 3.87Å
279K67.2Low70.8Confident136 Ų13691.3 Ų91.359%0.59144%0.435SS*.EExtended strand (participates in β ladder)trans-112.9135.8-175.7-163.4170.7-177.9174.90110.6I196 I198I196-K279 PolarHBondContact N-O 3.24Å; I196-K279 VanDerWaalsContact N-O 3.16Å; I196-K279 PolarHBondContact O-N 3.41Å; I198-K279 HydrophobicContact CD1-CB 3.98Å; I198-K279 HydrophobicContact CD1-CD 4.3Å; I198-K279 HydrophobicContact CG1-CB 4.5Å
280S74.1Confident72.9Confident33 Ų3392 Ų9223%0.23144%0.438CS..EExtended strand (participates in β ladder)trans-64.9141.2171.259.30000110.5
281H80.1Confident74.8Confident84 Ų8488.5 Ų88.539%0.38942%0.417SS..  trans-55.7146.8177.9-168.8-116.2000112.8I196 L283 F284I196-H281 HydrophobicContact CD1-CB 4.18Å; H281-L283 PolarHBondContact O-N 3Å; H281-L283 VanDerWaalsContact O-N 3.09Å; H281-F284 HydrophobicContact CB-CD2 4.07Å; H281-F284 HydrophobicContact CB-CE2 4Å; H281-F284 WeakPolarHBondContact O-CD2 3.26Å; H281-F284 PolarHBondContact O-N 3.39Å; H281-F284 VanDerWaalsContact O-N 3.08Å
282I83.5Confident76.6Confident94 Ų9479.2 Ų79.248%0.48238%0.382SS..Hα-helixtrans-59.5-28.9-170.2-167.863.8000113.5F284 S285 Y286I282-F284 VanDerWaalsContact C-N 3.26Å; I282-F284 PolarHBondContact O-N 3.41Å; I282-S285 WeakPolarHBondContact O-CB 3.46Å; I282-S285 PolarHBondContact O-N 3.05Å; I282-Y286 HydrophobicContact CG1-CD2 4.04Å; I282-Y286 HydrophobicContact CG1-CE2 3.62Å; I282-Y286 WeakPolarHBondContact O-CD2 3.44Å; I282-Y286 PolarHBondContact O-N 2.95Å
283L86.5Confident78.3Confident101 Ų10179.2 Ų79.253%0.52939%0.389SS..Hα-helixtrans-55.7-37.6176.2-67.4174.7000113H281 S285 Y286 I287H281-L283 PolarHBondContact O-N 3Å; H281-L283 VanDerWaalsContact O-N 3.09Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.41Å; L283-Y286 PolarHBondContact O-N 3.07Å; L283-I287 VanDerWaalsContact O-CG1 3.32Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.11Å
284F86.9Confident79.9Confident21 Ų2176.6 Ų76.69%0.09237%0.373CS..Hα-helixtrans-65-34.5177.8-59.6-64.3000111.8L188 L194 H281 I282 E288L188-F284 HydrophobicContact CB-CE1 3.86Å; L188-F284 HydrophobicContact CB-CZ 4.3Å; L194-F284 HydrophobicContact CB-CE2 4.22Å; L194-F284 HydrophobicContact CB-CZ 4.12Å; L194-F284 HydrophobicContact CD1-CZ 4.14Å; L194-F284 HydrophobicContact CG-CZ 4.5Å; H281-F284 HydrophobicContact CB-CD2 4.07Å; H281-F284 HydrophobicContact CB-CE2 4Å; H281-F284 WeakPolarHBondContact O-CD2 3.26Å; H281-F284 PolarHBondContact O-N 3.39Å; H281-F284 VanDerWaalsContact O-N 3.08Å; I282-F284 VanDerWaalsContact C-N 3.26Å; I282-F284 PolarHBondContact O-N 3.41Å; F284-E288 WeakPolarHBondContact O-CB 3.44Å; F284-E288 WeakPolarHBondContact O-CG 3.49Å; F284-E288 PolarHBondContact O-N 3.28Å
285S83.3Confident81.5Confident61 Ų6172.2 Ų72.243%0.42736%0.356SS..Hα-helixtrans-68.7-40175.7-172.60000111.8I282 L283 S289I282-S285 WeakPolarHBondContact O-CB 3.46Å; I282-S285 PolarHBondContact O-N 3.05Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.41Å; S285-S289 WeakPolarHBondContact O-CB 3.36Å; S285-S289 PolarHBondContact O-N 3.26Å
286Y90.1Very high83.2Confident147 Ų14766.3 Ų66.358%0.57633%0.333SS*.Hα-helixtrans-64.9-44.5173.4-74.4-63.7000112.4I282 L283 S289 I290I282-Y286 HydrophobicContact CG1-CD2 4.04Å; I282-Y286 HydrophobicContact CG1-CE2 3.62Å; I282-Y286 WeakPolarHBondContact O-CD2 3.44Å; I282-Y286 PolarHBondContact O-N 2.95Å; L283-Y286 PolarHBondContact O-N 3.07Å; Y286-S289 PolarHBondContact O-N 2.92Å; Y286-I290 VanDerWaalsContact O-CG1 3.28Å; Y286-I290 WeakPolarHBondContact O-CG1 3.49Å; Y286-I290 PolarHBondContact O-N 3.49Å
287I91.2Very high85.1Confident53 Ų5362.7 Ų62.727%0.27232%0.323SS..Hα-helixtrans-63.8-46.1177.8-65.9164.5000110.5L181 C185 L283 S289 I290 S291L181-I287 HydrophobicContact CD1-CG2 4.21Å; L181-I287 HydrophobicContact CD2-CG2 4.18Å; L181-I287 HydrophobicContact CG-CG2 3.87Å; C185-I287 HydrophobicContact CB-CG2 3.84Å; L283-I287 VanDerWaalsContact O-CG1 3.32Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.11Å; I287-S289 VanDerWaalsContact C-N 3.32Å; I287-S289 PolarHBondContact O-N 2.73Å; I287-I290 PolarHBondContact O-N 3.25Å; I287-S291 PolarHBondContact O-N 3.39Å; I287-S291 PolarHBondContact O-OG 3.45Å; I287-S291 VanDerWaalsContact O-OG 3.11Å
288E88.5Confident86.7Confident13 Ų1359.2 Ų59.26%0.06131%0.306CS..Hα-helixtrans-55.8-46.7172.5-77.7-177.8148.200111K189 F284 N292 F328 R354K189-E288 IonicContact NZ-OE1 2.81Å; K189-E288 PolarHBondContact NZ-OE1 3.46Å; K189-E288 IonicContact NZ-OE2 3.15Å; K189-E288 PolarHBondContact NZ-OE2 3.37Å; F284-E288 WeakPolarHBondContact O-CB 3.44Å; F284-E288 WeakPolarHBondContact O-CG 3.49Å; F284-E288 PolarHBondContact O-N 3.28Å; E288-N292 WeakPolarHBondContact O-CB 3.37Å; E288-N292 PolarHBondContact O-N 2.85Å; E288-N292 PolarHBondContact O-ND2 3.47Å; E288-F328 HydrophobicContact CB-CE2 4.5Å; E288-R354 IonicContact OE1-CZ 3.5Å; E288-R354 IonicContact OE1-NH1 2.74Å; E288-R354 PolarHBondContact OE1-NH1 3.35Å; E288-R354 IonicContact OE2-NH1 3.24Å; E288-R354 PolarHBondContact OE2-NH1 3.26Å
289S89.6Confident88.1Confident62 Ų6255.4 Ų55.443%0.43429%0.286SS..Hα-helixtrans-63.5-43.3-179.7-167.80000113S285 Y286 I287 G293S285-S289 WeakPolarHBondContact O-CB 3.36Å; S285-S289 PolarHBondContact O-N 3.26Å; Y286-S289 PolarHBondContact O-N 2.92Å; I287-S289 VanDerWaalsContact C-N 3.32Å; I287-S289 PolarHBondContact O-N 2.73Å; S289-G293 PolarHBondContact O-N 3.03Å
290I93.8Very high89.4Confident105 Ų10553.3 Ų53.354%0.53828%0.281SS..Hα-helixtrans-66.6-46.7179.8-67.8164.1000110.6F178 Y286 I287 N292 G293 W294F178-I290 HydrophobicContact CE1-CG2 3.93Å; F178-I290 HydrophobicContact CZ-CG2 4.48Å; Y286-I290 VanDerWaalsContact O-CG1 3.28Å; Y286-I290 WeakPolarHBondContact O-CG1 3.49Å; Y286-I290 PolarHBondContact O-N 3.49Å; I287-I290 PolarHBondContact O-N 3.25Å; I290-N292 PolarHBondContact O-N 3.09Å; I290-G293 PolarHBondContact O-N 3.1Å; I290-W294 PolarHBondContact O-N 3.49Å
291S92.8Very high90.3Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-62.4-42177.9-58.80000112.2I287 W294 F295I287-S291 PolarHBondContact O-N 3.39Å; I287-S291 PolarHBondContact O-OG 3.45Å; I287-S291 VanDerWaalsContact O-OG 3.11Å; S291-W294 PolarHBondContact O-N 2.91Å; S291-F295 VanDerWaalsContact O-CD2 3.24Å; S291-F295 WeakPolarHBondContact O-CD2 3.24Å; S291-F295 VanDerWaalsContact O-CG 3.22Å; S291-F295 WeakPolarHBondContact O-CG 3.34Å; S291-F295 PolarHBondContact O-N 3.2Å
292N91.8Very high90.8Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-65.5-37.4174.4-79.4-73.4000112.3E288 I290 F295 T296 F328 R357E288-N292 WeakPolarHBondContact O-CB 3.37Å; E288-N292 PolarHBondContact O-N 2.85Å; E288-N292 PolarHBondContact O-ND2 3.47Å; I290-N292 PolarHBondContact O-N 3.09Å; N292-F295 PolarHBondContact O-N 3.26Å; N292-T296 WeakPolarHBondContact O-CB 3.21Å; N292-T296 PolarHBondContact O-N 3.22Å; N292-T296 PolarHBondContact O-OG1 2.68Å; N292-F328 HydrophobicContact CB-CD1 3.41Å; N292-F328 VanDerWaalsContact CB-CD1 3.41Å; N292-F328 HydrophobicContact CB-CE1 3.51Å; N292-F328 HydrophobicContact CB-CG 3.97Å; N292-F328 HydrophobicContact CB-CZ 4.17Å; N292-F328 VanDerWaalsContact ND2-CD2 3.32Å; N292-F328 WeakPolarHBondContact ND2-CD2 3.39Å; N292-F328 VanDerWaalsContact ND2-CG 3.26Å; N292-F328 WeakPolarHBondContact ND2-CG 3.22Å; N292-F328 VanDerWaalsContact OD1-CB 3.22Å; N292-F328 WeakPolarHBondContact OD1-CB 3.36Å; N292-F328 WeakPolarHBondContact OD1-CG 3.46Å; N292-R357 PolarHBondContact ND2-NH1 2.96Å; N292-R357 VanDerWaalsContact ND2-NH1 3.18Å; N292-R357 PolarHBondContact OD1-NH1 3.45Å; N292-R357 PolarHBondContact OD1-NH2 2.97Å
293G93.3Very high91.2Very high38 Ų3849 Ų4939%0.39225%0.254SS..Hα-helixtrans-58.9-45.5173.200000112.1S289 I290 T296 F297S289-G293 PolarHBondContact O-N 3.03Å; I290-G293 PolarHBondContact O-N 3.1Å; G293-T296 PolarHBondContact O-N 3.11Å; G293-F297 WeakPolarHBondContact O-CB 3.39Å; G293-F297 PolarHBondContact O-N 3.5Å
294W94.2Very high91.4Very high54 Ų5447.9 Ų47.921%0.20525%0.248CC..Hα-helixtrans-61.3-47.6173.8-177.4-97.6000112.3I174 F178 I290 S291 T296 F297 E298I174-W294 HydrophobicContact CB-CZ2 4.25Å; I174-W294 HydrophobicContact CG2-CD2 4.43Å; I174-W294 HydrophobicContact CG2-CH2 3.82Å; I174-W294 HydrophobicContact CG2-CZ2 3.52Å; I174-W294 HydrophobicContact CG2-CZ3 4.39Å; F178-W294 HydrophobicContact CB-CG 4.49Å; F178-W294 HydrophobicContact CD2-CB 3.93Å; F178-W294 AromaticContact CD2-CD1 3.51Å; F178-W294 AromaticContact CD2-CD2 3.74Å; F178-W294 HydrophobicContact CD2-CD2 3.74Å; F178-W294 HydrophobicContact CD2-CE3 4.48Å; F178-W294 AromaticContact CD2-CG 3.42Å; F178-W294 HydrophobicContact CD2-CG 3.42Å; F178-W294 VanDerWaalsContact CD2-CG 3.42Å; F178-W294 AromaticContact CD2-NE1 3.87Å; F178-W294 HydrophobicContact CE2-CB 4.14Å; F178-W294 AromaticContact CE2-CD2 3.74Å; F178-W294 HydrophobicContact CE2-CD2 3.74Å; F178-W294 HydrophobicContact CE2-CE3 4.02Å; F178-W294 AromaticContact CE2-CG 3.77Å; F178-W294 HydrophobicContact CE2-CG 3.77Å; F178-W294 HydrophobicContact CG-CB 4.2Å; F178-W294 HydrophobicContact CG-CG 4.05Å; I290-W294 PolarHBondContact O-N 3.49Å; S291-W294 PolarHBondContact O-N 2.91Å; W294-T296 VanDerWaalsContact C-N 3.28Å; W294-T296 PolarHBondContact O-N 3.12Å; W294-F297 HydrophobicContact CE3-CD1 4.26Å; W294-F297 HydrophobicContact CH2-CD1 4.49Å; W294-F297 HydrophobicContact CH2-CE1 4.29Å; W294-F297 HydrophobicContact CZ3-CD1 4.14Å; W294-F297 HydrophobicContact CZ3-CE1 4.11Å; W294-F297 WeakPolarHBondContact O-CB 3.32Å; W294-F297 PolarHBondContact O-N 3.16Å; W294-E298 WeakPolarHBondContact O-CB 3.19Å; W294-E298 PolarHBondContact O-N 2.85Å
295F92.9Very high91.6Very high5 Ų547.1 Ų47.12%0.02225%0.245CC..Hα-helixtrans-63.5-33.6178.1-57-30.1000112.8F178 I179 S291 N292 E298 I299 L325 K360F178-F295 HydrophobicContact CB-CE1 3.93Å; F178-F295 HydrophobicContact CB-CZ 4.26Å; I179-F295 HydrophobicContact CG1-CE1 3.86Å; I179-F295 HydrophobicContact CG1-CZ 3.99Å; S291-F295 VanDerWaalsContact O-CD2 3.24Å; S291-F295 WeakPolarHBondContact O-CD2 3.24Å; S291-F295 VanDerWaalsContact O-CG 3.22Å; S291-F295 WeakPolarHBondContact O-CG 3.34Å; S291-F295 PolarHBondContact O-N 3.2Å; N292-F295 PolarHBondContact O-N 3.26Å; F295-E298 PolarHBondContact O-N 3.17Å; F295-I299 WeakPolarHBondContact O-CG2 3.19Å; F295-I299 PolarHBondContact O-N 2.86Å; F295-L325 HydrophobicContact CB-CD1 3.67Å; F295-K360 HydrophobicContact CD1-CD 4.44Å; F295-K360 HydrophobicContact CE1-CD 4.49Å
296T93.9Very high91.8Very high35 Ų3544.7 Ų44.722%0.21523%0.228CC..Hα-helixtrans-65.6-46.6174.8-53.50000110.9N292 G293 W294 I299 L300 Y329N292-T296 WeakPolarHBondContact O-CB 3.21Å; N292-T296 PolarHBondContact O-N 3.22Å; N292-T296 PolarHBondContact O-OG1 2.68Å; G293-T296 PolarHBondContact O-N 3.11Å; W294-T296 VanDerWaalsContact C-N 3.28Å; W294-T296 PolarHBondContact O-N 3.12Å; T296-I299 WeakPolarHBondContact O-CG2 3.41Å; T296-L300 WeakPolarHBondContact O-CB 3.4Å; T296-L300 PolarHBondContact O-N 3.47Å; T296-Y329 PolarHBondContact OG1-OH 3.43Å; T296-Y329 VanDerWaalsContact OG1-OH 3.08Å
297F93.5Very high91.4Very high100 Ų10039.9 Ų39.944%0.43921%0.214SC..Hα-helixtrans-60-45.3174.9172.5-101.3000111.9F159 G293 W294 L300 I301F159-F297 HydrophobicContact CE1-CE1 4.36Å; F159-F297 HydrophobicContact CZ-CE1 4.17Å; G293-F297 WeakPolarHBondContact O-CB 3.39Å; G293-F297 PolarHBondContact O-N 3.5Å; W294-F297 HydrophobicContact CE3-CD1 4.26Å; W294-F297 HydrophobicContact CH2-CD1 4.49Å; W294-F297 HydrophobicContact CH2-CE1 4.29Å; W294-F297 HydrophobicContact CZ3-CD1 4.14Å; W294-F297 HydrophobicContact CZ3-CE1 4.11Å; W294-F297 WeakPolarHBondContact O-CB 3.32Å; W294-F297 PolarHBondContact O-N 3.16Å; F297-L300 PolarHBondContact O-N 3.33Å; F297-I301 HydrophobicContact CD1-CD1 4.24Å; F297-I301 HydrophobicContact CD2-CD1 4.04Å; F297-I301 HydrophobicContact CE1-CD1 3.73Å; F297-I301 HydrophobicContact CE2-CD1 3.52Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.39Å; F297-I301 HydrophobicContact CZ-CD1 3.34Å; F297-I301 WeakPolarHBondContact O-CG1 3.37Å; F297-I301 PolarHBondContact O-N 2.9Å
298E92.3Very high91.2Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-62.3-46.2180-161-160.5140.500112.4F159 W294 F295 R302 K360 R363F159-E298 HydrophobicContact CD1-CG 4.33Å; W294-E298 WeakPolarHBondContact O-CB 3.19Å; W294-E298 PolarHBondContact O-N 2.85Å; F295-E298 PolarHBondContact O-N 3.17Å; E298-R302 WeakPolarHBondContact O-CG 3.32Å; E298-R302 PolarHBondContact O-N 3.37Å; E298-R302 IonicContact OE1-CZ 2.73Å; E298-R302 IonicContact OE1-NH1 2.67Å; E298-R302 PolarHBondContact OE1-NH1 3.27Å; E298-R302 IonicContact OE1-NH2 2.7Å; E298-R302 PolarHBondContact OE1-NH2 3.39Å; E298-K360 VanDerWaalsContact CD-NZ 3.29Å; E298-K360 VanDerWaalsContact OE1-CE 3.31Å; E298-K360 WeakPolarHBondContact OE1-CE 3.42Å; E298-K360 IonicContact OE1-NZ 3.67Å; E298-K360 PolarHBondContact OE1-NZ 2.91Å; E298-K360 WeakPolarHBondContact OE2-CE 3.24Å; E298-K360 IonicContact OE2-NZ 3.85Å; E298-K360 PolarHBondContact OE2-NZ 3.05Å; E298-R363 IonicContact OE1-NH1 3.94Å
299I91.4Very high91.3Very high21 Ų2142.2 Ų42.211%0.10823%0.228CC..Hα-helixtrans-74.4-34.5178.3-160.966.2000112.2F295 T296 R302 F303 F312 D321 L325F295-I299 WeakPolarHBondContact O-CG2 3.19Å; F295-I299 PolarHBondContact O-N 2.86Å; T296-I299 WeakPolarHBondContact O-CG2 3.41Å; I299-R302 PolarHBondContact O-N 3.33Å; I299-F303 VanDerWaalsContact O-CB 3.28Å; I299-F303 WeakPolarHBondContact O-CB 3.33Å; I299-F303 PolarHBondContact O-N 3.23Å; I299-F312 HydrophobicContact CD1-CE1 3.87Å; I299-F312 HydrophobicContact CD1-CZ 3.7Å; I299-F312 HydrophobicContact CG1-CE1 4.41Å; I299-D321 HydrophobicContact CD1-CB 3.82Å; I299-L325 HydrophobicContact CG2-CD2 4.15Å
300L93.2Very high91.3Very high92 Ų9246.1 Ų46.148%0.48224%0.243SC..Hα-helixtrans-64.4-46.2176.8178.262.5000111.6T296 F297 F303 I304T296-L300 WeakPolarHBondContact O-CB 3.4Å; T296-L300 PolarHBondContact O-N 3.47Å; F297-L300 PolarHBondContact O-N 3.33Å; L300-F303 PolarHBondContact O-N 3.2Å; L300-I304 HydrophobicContact CD1-CD1 3.91Å; L300-I304 HydrophobicContact CD1-CG1 4.22Å; L300-I304 HydrophobicContact CG-CD1 3.89Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.38Å
301I92.7Very high91Very high33 Ų3347.7 Ų47.717%0.16925%0.248CC..Hα-helixtrans-61.4-49.4176.4-73.9178000110.1I155 F159 F297 F303 I304 V305I155-I301 HydrophobicContact CG2-CG2 3.8Å; F159-I301 HydrophobicContact CD1-CB 4.4Å; F159-I301 HydrophobicContact CD1-CG2 4.09Å; F159-I301 HydrophobicContact CD2-CG2 3.68Å; F159-I301 HydrophobicContact CE1-CB 4.31Å; F159-I301 HydrophobicContact CE1-CD1 4.08Å; F159-I301 HydrophobicContact CE1-CG2 4.2Å; F159-I301 HydrophobicContact CE2-CD1 4.12Å; F159-I301 HydrophobicContact CE2-CG2 3.81Å; F159-I301 HydrophobicContact CG-CG2 3.83Å; F159-I301 HydrophobicContact CZ-CB 4.44Å; F159-I301 HydrophobicContact CZ-CD1 3.62Å; F159-I301 HydrophobicContact CZ-CG2 4.07Å; F297-I301 HydrophobicContact CD1-CD1 4.24Å; F297-I301 HydrophobicContact CD2-CD1 4.04Å; F297-I301 HydrophobicContact CE1-CD1 3.73Å; F297-I301 HydrophobicContact CE2-CD1 3.52Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.39Å; F297-I301 HydrophobicContact CZ-CD1 3.34Å; F297-I301 WeakPolarHBondContact O-CG1 3.37Å; F297-I301 PolarHBondContact O-N 2.9Å; I301-F303 VanDerWaalsContact C-N 3.33Å; I301-F303 PolarHBondContact O-N 3.16Å; I301-I304 PolarHBondContact O-N 2.91Å; I301-V305 HydrophobicContact CG2-CG2 4.32Å; I301-V305 WeakPolarHBondContact O-CB 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 2.8Å
302R91.3Very high90.8Very high5 Ų548.3 Ų48.32%0.01925%0.251CS..Hα-helixtrans-55.1-49.4175.9-73.5-169.1-169.6101.311.9111.4F159 D160 E298 I299 I304 V305 T306 F312 D321 R363F159-R302 HydrophobicContact CB-CG 3.97Å; F159-R302 VanDerWaalsContact O-CZ 3.26Å; F159-R302 PolarHBondContact O-NE 2.87Å; F159-R302 PolarHBondContact O-NH2 3.47Å; D160-R302 VanDerWaalsContact OD1-CD 3.31Å; D160-R302 WeakPolarHBondContact OD1-CD 3.49Å; D160-R302 IonicContact OD1-NE 2.82Å; D160-R302 PolarHBondContact OD1-NE 3.47Å; E298-R302 WeakPolarHBondContact O-CG 3.32Å; E298-R302 PolarHBondContact O-N 3.37Å; E298-R302 IonicContact OE1-CZ 2.73Å; E298-R302 IonicContact OE1-NH1 2.67Å; E298-R302 PolarHBondContact OE1-NH1 3.27Å; E298-R302 IonicContact OE1-NH2 2.7Å; E298-R302 PolarHBondContact OE1-NH2 3.39Å; I299-R302 PolarHBondContact O-N 3.33Å; R302-I304 PolarHBondContact O-N 2.98Å; R302-V305 CarbonylContact O-C 3.51Å; R302-V305 PolarHBondContact O-N 3.21Å; R302-V305 VanDerWaalsContact O-N 3.07Å; R302-T306 PolarHBondContact O-N 2.78Å; R302-T306 PolarHBondContact O-OG1 3.05Å; R302-F312 HydrophobicContact CB-CE2 3.71Å; R302-F312 HydrophobicContact CB-CZ 3.59Å; R302-D321 IonicContact NH1-OD2 3.27Å; R302-R363 VanDerWaalsContact CZ-CZ 3.41Å; R302-R363 VanDerWaalsContact NH1-CZ 3.33Å
303F92.2Very high90.7Very high82 Ų8252.4 Ų52.436%0.3627%0.272SS..Hα-helixtrans-60.8-43.8-179-179.5-100.3000113I299 L300 I301 V305 K309 F312 I313I299-F303 VanDerWaalsContact O-CB 3.28Å; I299-F303 WeakPolarHBondContact O-CB 3.33Å; I299-F303 PolarHBondContact O-N 3.23Å; L300-F303 PolarHBondContact O-N 3.2Å; I301-F303 VanDerWaalsContact C-N 3.33Å; I301-F303 PolarHBondContact O-N 3.16Å; F303-V305 PolarHBondContact O-N 3.2Å; F303-K309 HydrophobicContact CE2-CB 4.06Å; F303-K309 HydrophobicContact CE2-CD 4.23Å; F303-K309 HydrophobicContact CE2-CG 4.45Å; F303-K309 HydrophobicContact CZ-CB 4.32Å; F303-K309 HydrophobicContact CZ-CD 4.33Å; F303-K309 HydrophobicContact CZ-CG 4.4Å; F303-K309 WeakPolarHBondContact O-CD 3.31Å; F303-K309 WeakPolarHBondContact O-CE 3.2Å; F303-K309 PolarHBondContact O-NZ 2.91Å; F303-F312 HydrophobicContact CB-CD1 4.49Å; F303-F312 HydrophobicContact CB-CE1 4.15Å; F303-F312 AromaticContact CD2-CD1 3.88Å; F303-F312 HydrophobicContact CD2-CD1 3.88Å; F303-F312 HydrophobicContact CD2-CE1 4.29Å; F303-I313 HydrophobicContact CE2-CD1 4.2Å; F303-I313 HydrophobicContact CE2-CG1 4.48Å
304I91.6Very high90.5Very high78 Ų7859 Ų5940%0.429%0.289SS..Hα-helixtrans-59.3-40.1174-71.3166.1000110.5W148 L300 I301 R302 K309W148-I304 HydrophobicContact CH2-CG2 3.96Å; W148-I304 HydrophobicContact CZ2-CG2 4.02Å; L300-I304 HydrophobicContact CD1-CD1 3.91Å; L300-I304 HydrophobicContact CD1-CG1 4.22Å; L300-I304 HydrophobicContact CG-CD1 3.89Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.38Å; I301-I304 PolarHBondContact O-N 2.91Å; R302-I304 PolarHBondContact O-N 2.98Å; I304-K309 VanDerWaalsContact C-NZ 3.32Å; I304-K309 PolarHBondContact O-NZ 3.45Å
305V90Very high90Very high5 Ų557.9 Ų57.93%0.0329%0.29CS..Hα-helixtrans-93.4-20.6-164.4171.20000114.4F134 K152 I155 W156 I301 R302 F303F134-V305 WeakPolarHBondContact CE1-O 3.46Å; K152-V305 WeakPolarHBondContact CE-O 3.35Å; K152-V305 HydrophobicContact CG-CG1 4.05Å; K152-V305 WeakPolarHBondContact O-CG1 3.36Å; I155-V305 HydrophobicContact CB-CG1 4.27Å; I155-V305 HydrophobicContact CB-CG2 4.34Å; I155-V305 HydrophobicContact CG2-CG1 4.32Å; I155-V305 HydrophobicContact CG2-CG2 3.88Å; W156-V305 VanDerWaalsContact CA-CG1 3.48Å; W156-V305 HydrophobicContact CB-CG1 3.49Å; W156-V305 VanDerWaalsContact CB-CG1 3.49Å; W156-V305 HydrophobicContact CG-CG1 4.24Å; I301-V305 HydrophobicContact CG2-CG2 4.32Å; I301-V305 WeakPolarHBondContact O-CB 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 2.8Å; R302-V305 CarbonylContact O-C 3.51Å; R302-V305 PolarHBondContact O-N 3.21Å; R302-V305 VanDerWaalsContact O-N 3.07Å; F303-V305 PolarHBondContact O-N 3.2Å
306T87.2Confident89.6Confident11 Ų1162 Ų627%0.06732%0.318CS..  trans-58.1147.4175.2-34.10000112.1R302 K309 F312R302-T306 PolarHBondContact O-N 2.78Å; R302-T306 PolarHBondContact O-OG1 3.05Å; T306-K309 PolarHBondContact O-NZ 3.11Å; T306-F312 HydrophobicContact CG2-CB 4.06Å; T306-F312 HydrophobicContact CG2-CD2 3.89Å; T306-F312 HydrophobicContact CG2-CG 4.39Å; T306-F312 WeakPolarHBondContact OG1-CD2 3.5Å
307P82.5Confident89.2Confident45 Ų4562.5 Ų62.529%0.29232%0.318SS..SBendtrans-61.5-55.5168.422.8-32.3000112.2F134F134-P307 HydrophobicContact CD1-CB 3.82Å; F134-P307 HydrophobicContact CD1-CG 4.35Å; F134-P307 HydrophobicContact CE1-CB 3.96Å; F134-P307 VanDerWaalsContact CE1-CD 3.48Å; F134-P307 HydrophobicContact CE1-CG 4.13Å
308S86.9Confident89Confident41 Ų4158.3 Ų58.329%0.28730%0.301SS..  trans-110.7105.8-16940.90000112.6L310 Q311 F312S308-L310 PolarHBondContact O-N 3.5Å; S308-Q311 PolarHBondContact O-N 2.89Å; S308-Q311 WeakPolarHBondContact OG-CB 3.28Å; S308-Q311 PolarHBondContact OG-OE1 3.45Å; S308-F312 PolarHBondContact O-N 3.5Å
309K90.2Very high88.9Confident74 Ų7461.8 Ų61.832%0.32232%0.318SS..Hα-helixtrans-66-39-173.3-51.4-50.4-178.5-164.60114F303 I304 T306 F312 I313F303-K309 HydrophobicContact CE2-CB 4.06Å; F303-K309 HydrophobicContact CE2-CD 4.23Å; F303-K309 HydrophobicContact CE2-CG 4.45Å; F303-K309 HydrophobicContact CZ-CB 4.32Å; F303-K309 HydrophobicContact CZ-CD 4.33Å; F303-K309 HydrophobicContact CZ-CG 4.4Å; F303-K309 WeakPolarHBondContact O-CD 3.31Å; F303-K309 WeakPolarHBondContact O-CE 3.2Å; F303-K309 PolarHBondContact O-NZ 2.91Å; I304-K309 VanDerWaalsContact C-NZ 3.32Å; I304-K309 PolarHBondContact O-NZ 3.45Å; T306-K309 PolarHBondContact O-NZ 3.11Å; K309-F312 WeakPolarHBondContact O-CB 2.96Å; K309-F312 PolarHBondContact O-N 3.26Å; K309-I313 WeakPolarHBondContact O-CG1 3.32Å; K309-I313 PolarHBondContact O-N 3.46Å
310L89.7Confident88.7Confident144 Ų14462.5 Ų62.575%0.75432%0.322SS*.Hα-helixtrans-68.8-39.6179-172.165000111.9S308 F312 I313 K314S308-L310 PolarHBondContact O-N 3.5Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-I313 PolarHBondContact O-N 3.03Å; L310-K314 WeakPolarHBondContact O-CB 3.41Å; L310-K314 PolarHBondContact O-N 2.83Å
311Q87.6Confident88.5Confident138 Ų13858.4 Ų58.465%0.64530%0.301SS*.Hα-helixtrans-67.2-34.4175.6-169.1178.8900111.7S308 K314 S315S308-Q311 PolarHBondContact O-N 2.89Å; S308-Q311 WeakPolarHBondContact OG-CB 3.28Å; S308-Q311 PolarHBondContact OG-OE1 3.45Å; Q311-K314 PolarHBondContact O-N 2.97Å; Q311-S315 PolarHBondContact O-N 3.36Å
312F88.4Confident88.4Confident13 Ų1361 Ų616%0.05732%0.315CS..Hα-helixtrans-58.1-48.7171.9-172.4-99.3000112I299 R302 F303 T306 S308 K309 L310 K314 S315 N318I299-F312 HydrophobicContact CD1-CE1 3.87Å; I299-F312 HydrophobicContact CD1-CZ 3.7Å; I299-F312 HydrophobicContact CG1-CE1 4.41Å; R302-F312 HydrophobicContact CB-CE2 3.71Å; R302-F312 HydrophobicContact CB-CZ 3.59Å; F303-F312 HydrophobicContact CB-CD1 4.49Å; F303-F312 HydrophobicContact CB-CE1 4.15Å; F303-F312 AromaticContact CD2-CD1 3.88Å; F303-F312 HydrophobicContact CD2-CD1 3.88Å; F303-F312 HydrophobicContact CD2-CE1 4.29Å; T306-F312 HydrophobicContact CG2-CB 4.06Å; T306-F312 HydrophobicContact CG2-CD2 3.89Å; T306-F312 HydrophobicContact CG2-CG 4.39Å; T306-F312 WeakPolarHBondContact OG1-CD2 3.5Å; S308-F312 PolarHBondContact O-N 3.5Å; K309-F312 WeakPolarHBondContact O-CB 2.96Å; K309-F312 PolarHBondContact O-N 3.26Å; L310-F312 VanDerWaalsContact C-N 3.32Å; F312-K314 VanDerWaalsContact C-N 3.35Å; F312-S315 WeakPolarHBondContact O-CB 3.18Å; F312-S315 PolarHBondContact O-N 3.1Å; F312-N318 HydrophobicContact CD1-CB 4.5Å; F312-N318 WeakPolarHBondContact CD2-ND2 3.41Å; F312-N318 HydrophobicContact CE1-CB 4.2Å; F312-N318 WeakPolarHBondContact CE2-ND2 3.32Å; F312-N318 HydrophobicContact CZ-CB 4.24Å; F312-N318 VanDerWaalsContact O-CB 3.27Å; F312-N318 WeakPolarHBondContact O-CB 3.41Å; F312-N318 PolarHBondContact O-ND2 2.74Å
313I89.3Confident88.2Confident86 Ų8664.3 Ų64.344%0.44133%0.332SS..Hα-helixtrans-69.6-31.5-179.3-64.3167.3000111.5F303 K309 L310 S315 I319F303-I313 HydrophobicContact CE2-CD1 4.2Å; F303-I313 HydrophobicContact CE2-CG1 4.48Å; K309-I313 WeakPolarHBondContact O-CG1 3.32Å; K309-I313 PolarHBondContact O-N 3.46Å; L310-I313 PolarHBondContact O-N 3.03Å; I313-S315 VanDerWaalsContact C-N 3.29Å; I313-S315 PolarHBondContact O-N 3.04Å; I313-I319 WeakPolarHBondContact O-CG1 3.5Å
314K88.9Confident88Confident176 Ų17660.6 Ų60.677%0.76532%0.316SS*.Hα-helixtrans-76.7-9.3177.3-165.7171.5179.1-179.80113.9L310 Q311 F312L310-K314 WeakPolarHBondContact O-CB 3.41Å; L310-K314 PolarHBondContact O-N 2.83Å; Q311-K314 PolarHBondContact O-N 2.97Å; F312-K314 VanDerWaalsContact C-N 3.35Å
315S85.1Confident87.9Confident32 Ų3257.7 Ų57.722%0.22430%0.302CS..SBendtrans-75.7132.6-179.5132.40000111.5Q311 F312 I313 I317 N318 I319Q311-S315 PolarHBondContact O-N 3.36Å; F312-S315 WeakPolarHBondContact O-CB 3.18Å; F312-S315 PolarHBondContact O-N 3.1Å; I313-S315 VanDerWaalsContact C-N 3.29Å; I313-S315 PolarHBondContact O-N 3.04Å; S315-I317 VanDerWaalsContact C-N 3.34Å; S315-I317 PolarHBondContact O-N 2.93Å; S315-N318 WeakPolarHBondContact CB-ND2 3.31Å; S315-N318 PolarHBondContact O-N 2.92Å; S315-N318 VanDerWaalsContact O-N 3.15Å; S315-N318 VanDerWaalsContact OG-CG 3.29Å; S315-N318 PolarHBondContact OG-N 3.23Å; S315-N318 PolarHBondContact OG-ND2 3.03Å; S315-I319 WeakPolarHBondContact O-CG1 3.33Å; S315-I319 PolarHBondContact O-N 3.24Å
316P84.7Confident87.8Confident92 Ų9261.2 Ų61.260%0.59732%0.32SS*.Hα-helixtrans-63.9-36.5-174.324.7-33.7000113N318 I319 I320P316-N318 VanDerWaalsContact C-N 3.31Å; P316-N318 PolarHBondContact O-N 2.65Å; P316-I319 PolarHBondContact O-N 3.07Å; P316-I320 WeakPolarHBondContact O-CG1 3.38Å; P316-I320 PolarHBondContact O-N 3.25Å
317I84.4Confident87.7Confident44 Ų4460.8 Ų60.823%0.22632%0.317CS..Hα-helixtrans-66-36.8178.5-55.7175.4000110.4S315 I320 D321 R363S315-I317 VanDerWaalsContact C-N 3.34Å; S315-I317 PolarHBondContact O-N 2.93Å; I317-I320 PolarHBondContact O-N 2.99Å; I317-D321 PolarHBondContact O-N 3.16Å; I317-D321 VanDerWaalsContact O-N 3.11Å; I317-R363 HydrophobicContact CG2-CB 4.21Å
318N89.3Confident87.8Confident13 Ų1359.3 Ų59.37%0.0731%0.306CS..Hα-helixtrans-78.4-30.3178.8-61.8-26.9000112.4F312 S315 P316 D321 L322 R363F312-N318 HydrophobicContact CD1-CB 4.5Å; F312-N318 WeakPolarHBondContact CD2-ND2 3.41Å; F312-N318 HydrophobicContact CE1-CB 4.2Å; F312-N318 WeakPolarHBondContact CE2-ND2 3.32Å; F312-N318 HydrophobicContact CZ-CB 4.24Å; F312-N318 VanDerWaalsContact O-CB 3.27Å; F312-N318 WeakPolarHBondContact O-CB 3.41Å; F312-N318 PolarHBondContact O-ND2 2.74Å; S315-N318 WeakPolarHBondContact CB-ND2 3.31Å; S315-N318 PolarHBondContact O-N 2.92Å; S315-N318 VanDerWaalsContact O-N 3.15Å; S315-N318 VanDerWaalsContact OG-CG 3.29Å; S315-N318 PolarHBondContact OG-N 3.23Å; S315-N318 PolarHBondContact OG-ND2 3.03Å; P316-N318 VanDerWaalsContact C-N 3.31Å; P316-N318 PolarHBondContact O-N 2.65Å; N318-D321 PolarHBondContact O-N 2.99Å; N318-L322 VanDerWaalsContact O-CB 3.32Å; N318-L322 WeakPolarHBondContact O-CB 3.34Å; N318-L322 PolarHBondContact O-N 2.98Å; N318-R363 PolarHBondContact OD1-NH2 3.04Å; N318-R363 VanDerWaalsContact OD1-NH2 3.1Å
319I89.9Confident87.9Confident72 Ų7262.2 Ų62.237%0.36931%0.312SS..Hα-helixtrans-62.6-43.8169.7-68.4165.2000110.1I313 S315 P316 L322 L323I313-I319 WeakPolarHBondContact O-CG1 3.5Å; S315-I319 WeakPolarHBondContact O-CG1 3.33Å; S315-I319 PolarHBondContact O-N 3.24Å; P316-I319 PolarHBondContact O-N 3.07Å; I319-L322 PolarHBondContact O-N 2.99Å; I319-L323 HydrophobicContact CG2-CD1 3.83Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 WeakPolarHBondContact O-CB 3.21Å; I319-L323 VanDerWaalsContact O-CG 3.31Å; I319-L323 WeakPolarHBondContact O-CG 3.42Å; I319-L323 PolarHBondContact O-N 3.31Å
320I88.4Confident87.6Confident37 Ų3761.1 Ų61.119%0.1931%0.309CS..Hα-helixtrans-60.4-47.5175.3-71.5163.1000111.2P316 I317 L322 L323 A324 F359P316-I320 WeakPolarHBondContact O-CG1 3.38Å; P316-I320 PolarHBondContact O-N 3.25Å; I317-I320 PolarHBondContact O-N 2.99Å; I320-L322 VanDerWaalsContact C-N 3.35Å; I320-L322 PolarHBondContact O-N 3.37Å; I320-L323 PolarHBondContact O-N 3.07Å; I320-A324 VanDerWaalsContact O-CB 3.25Å; I320-A324 WeakPolarHBondContact O-CB 3.42Å; I320-A324 PolarHBondContact O-N 2.98Å; I320-F359 HydrophobicContact CD1-CB 4.3Å; I320-F359 HydrophobicContact CG2-CB 3.64Å
321D88.6Confident87.1Confident6 Ų655.7 Ų55.73%0.03228%0.281CS..Hα-helixtrans-55.3-47.9173.1-106.4-39.1000111.8I299 R302 I317 N318 A324 L325 K360 R363I299-D321 HydrophobicContact CD1-CB 3.82Å; R302-D321 IonicContact NH1-OD2 3.27Å; I317-D321 PolarHBondContact O-N 3.16Å; I317-D321 VanDerWaalsContact O-N 3.11Å; N318-D321 PolarHBondContact O-N 2.99Å; D321-A324 PolarHBondContact O-N 2.92Å; D321-L325 WeakPolarHBondContact O-CB 3.45Å; D321-L325 PolarHBondContact O-N 2.85Å; D321-K360 WeakPolarHBondContact OD1-CD 3.31Å; D321-K360 WeakPolarHBondContact OD1-CE 3.47Å; D321-K360 IonicContact OD1-NZ 3.82Å; D321-K360 PolarHBondContact OD1-NZ 3.45Å; D321-R363 IonicContact OD2-CZ 3.45Å; D321-R363 IonicContact OD2-NH1 3.06Å; D321-R363 PolarHBondContact OD2-NH1 3.34Å; D321-R363 IonicContact OD2-NH2 3.59Å; D321-R363 PolarHBondContact OD2-NH2 3.4Å
322L89.8Confident86.9Confident88 Ų8852.6 Ų52.646%0.46127%0.268SS..Hα-helixtrans-66.3-42.9-176.7-177.261.8000112.2N318 I319 I320 L325 L326N318-L322 VanDerWaalsContact O-CB 3.32Å; N318-L322 WeakPolarHBondContact O-CB 3.34Å; N318-L322 PolarHBondContact O-N 2.98Å; I319-L322 PolarHBondContact O-N 2.99Å; I320-L322 VanDerWaalsContact C-N 3.35Å; I320-L322 PolarHBondContact O-N 3.37Å; L322-L325 WeakPolarHBondContact O-CB 3.49Å; L322-L325 PolarHBondContact O-N 3.39Å; L322-L326 WeakPolarHBondContact O-CB 3.24Å; L322-L326 PolarHBondContact O-N 2.92Å
323L88.7Confident86.6Confident73 Ų7355 Ų5538%0.38229%0.286SS..Hα-helixtrans-65.6-42.7176.3-70.3171.7000111.8I319 I320 L325 L326 S327I319-L323 HydrophobicContact CG2-CD1 3.83Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 WeakPolarHBondContact O-CB 3.21Å; I319-L323 VanDerWaalsContact O-CG 3.31Å; I319-L323 WeakPolarHBondContact O-CG 3.42Å; I319-L323 PolarHBondContact O-N 3.31Å; I320-L323 PolarHBondContact O-N 3.07Å; L323-L325 VanDerWaalsContact C-N 3.26Å; L323-L325 PolarHBondContact O-N 3.42Å; L323-L326 PolarHBondContact O-N 3.41Å; L323-S327 PolarHBondContact O-N 3.38Å
324A86.7Confident86Confident4 Ų452.9 Ų52.93%0.03328%0.275CS..Hα-helixtrans-61.5-34.7176.300000112.4I320 D321 S327 M356 R357I320-A324 VanDerWaalsContact O-CB 3.25Å; I320-A324 WeakPolarHBondContact O-CB 3.42Å; I320-A324 PolarHBondContact O-N 2.98Å; D321-A324 PolarHBondContact O-N 2.92Å; A324-S327 PolarHBondContact O-OG 3.34Å; A324-M356 HydrophobicContact CB-CB 4.29Å; A324-R357 HydrophobicContact CB-CG 3.85Å; A324-R357 PolarHBondContact O-NH2 3.08Å
325L89.6Confident85.3Confident17 Ų1748.3 Ų48.39%0.08926%0.262CS..Hα-helixtrans-73.3-48.2173.5-158.287.1000112.3F295 I299 D321 L322 L323 S327 F328 Y329F295-L325 HydrophobicContact CB-CD1 3.67Å; I299-L325 HydrophobicContact CG2-CD2 4.15Å; D321-L325 WeakPolarHBondContact O-CB 3.45Å; D321-L325 PolarHBondContact O-N 2.85Å; L322-L325 WeakPolarHBondContact O-CB 3.49Å; L322-L325 PolarHBondContact O-N 3.39Å; L323-L325 VanDerWaalsContact C-N 3.26Å; L323-L325 PolarHBondContact O-N 3.42Å; L325-S327 PolarHBondContact O-N 2.88Å; L325-F328 PolarHBondContact O-N 2.84Å; L325-F328 VanDerWaalsContact O-N 3.1Å; L325-Y329 HydrophobicContact CD1-CE2 4.44Å; L325-Y329 HydrophobicContact CD2-CD2 4.11Å; L325-Y329 HydrophobicContact CD2-CE2 3.86Å; L325-Y329 HydrophobicContact CG-CD2 3.99Å; L325-Y329 HydrophobicContact CG-CE2 3.85Å; L325-Y329 PolarHBondContact O-N 3.03Å
326L87.8Confident84.9Confident80 Ų8054.5 Ų54.542%0.41929%0.285SS..Hα-helixtrans-57.1-36.9-173.6-179.962.2000112.2L322 L323 F328 Y329 I330L322-L326 WeakPolarHBondContact O-CB 3.24Å; L322-L326 PolarHBondContact O-N 2.92Å; L323-L326 PolarHBondContact O-N 3.41Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.03Å; L326-Y329 PolarHBondContact O-N 3.31Å; L326-Y329 VanDerWaalsContact O-N 3.14Å; L326-I330 HydrophobicContact CD1-CD1 4.08Å; L326-I330 HydrophobicContact CD1-CG1 3.97Å; L326-I330 HydrophobicContact CD2-CD1 4.23Å; L326-I330 HydrophobicContact CG-CD1 3.72Å; L326-I330 HydrophobicContact CG-CG1 4.09Å; L326-I330 WeakPolarHBondContact O-CG1 3.28Å; L326-I330 PolarHBondContact O-N 2.94Å
327S84.6Confident84.3Confident1 Ų155.9 Ų55.91%0.00729%0.286CS..Hα-helixtrans-50.2-41.1175.462.80000114.1L323 A324 L325 D331L323-S327 PolarHBondContact O-N 3.38Å; A324-S327 PolarHBondContact O-OG 3.34Å; L325-S327 PolarHBondContact O-N 2.88Å; S327-D331 PolarHBondContact O-N 2.85Å
328F86.2Confident83.3Confident15 Ų1558.5 Ų58.57%0.06630%0.299CS..Hα-helixtrans-79.3-35.5-179.7177.3-109.8000112.5E288 N292 L325 L326 D331 L332E288-F328 HydrophobicContact CB-CE2 4.5Å; N292-F328 HydrophobicContact CB-CD1 3.41Å; N292-F328 VanDerWaalsContact CB-CD1 3.41Å; N292-F328 HydrophobicContact CB-CE1 3.51Å; N292-F328 HydrophobicContact CB-CG 3.97Å; N292-F328 HydrophobicContact CB-CZ 4.17Å; N292-F328 VanDerWaalsContact ND2-CD2 3.32Å; N292-F328 WeakPolarHBondContact ND2-CD2 3.39Å; N292-F328 VanDerWaalsContact ND2-CG 3.26Å; N292-F328 WeakPolarHBondContact ND2-CG 3.22Å; N292-F328 VanDerWaalsContact OD1-CB 3.22Å; N292-F328 WeakPolarHBondContact OD1-CB 3.36Å; N292-F328 WeakPolarHBondContact OD1-CG 3.46Å; L325-F328 PolarHBondContact O-N 2.84Å; L325-F328 VanDerWaalsContact O-N 3.1Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.03Å; F328-D331 PolarHBondContact O-N 3.43Å; F328-L332 HydrophobicContact CD1-CD1 3.95Å; F328-L332 HydrophobicContact CE1-CD1 3.43Å; F328-L332 VanDerWaalsContact CE1-CD1 3.43Å; F328-L332 HydrophobicContact CE1-CG 4.26Å; F328-L332 HydrophobicContact CE2-CD1 4.29Å; F328-L332 HydrophobicContact CE2-CG 4.3Å; F328-L332 HydrophobicContact CZ-CD1 3.63Å; F328-L332 HydrophobicContact CZ-CD2 4.48Å; F328-L332 HydrophobicContact CZ-CG 4.13Å; F328-L332 WeakPolarHBondContact O-CG 3.39Å; F328-L332 PolarHBondContact O-N 3.48Å
329Y87.2Confident81.9Confident101 Ų10165.1 Ų65.140%0.39633%0.333SS..Hα-helixtrans-72.3-31.9175.9-77.5-75.4000112.5T296 L325 L326 C333T296-Y329 PolarHBondContact OG1-OH 3.43Å; T296-Y329 VanDerWaalsContact OG1-OH 3.08Å; L325-Y329 HydrophobicContact CD1-CE2 4.44Å; L325-Y329 HydrophobicContact CD2-CD2 4.11Å; L325-Y329 HydrophobicContact CD2-CE2 3.86Å; L325-Y329 HydrophobicContact CG-CD2 3.99Å; L325-Y329 HydrophobicContact CG-CE2 3.85Å; L325-Y329 PolarHBondContact O-N 3.03Å; L326-Y329 PolarHBondContact O-N 3.31Å; L326-Y329 VanDerWaalsContact O-N 3.14Å; Y329-C333 WeakPolarHBondContact O-CB 3.29Å; Y329-C333 PolarHBondContact O-N 3.3Å
330I84.5Confident80.3Confident51 Ų5166.6 Ų66.626%0.26235%0.345SS..Hα-helixtrans-63-49.7168.8-71.7174.7000110.2L326 L332 C333 L334 F350L326-I330 HydrophobicContact CD1-CD1 4.08Å; L326-I330 HydrophobicContact CD1-CG1 3.97Å; L326-I330 HydrophobicContact CD2-CD1 4.23Å; L326-I330 HydrophobicContact CG-CD1 3.72Å; L326-I330 HydrophobicContact CG-CG1 4.09Å; L326-I330 WeakPolarHBondContact O-CG1 3.28Å; L326-I330 PolarHBondContact O-N 2.94Å; I330-L332 PolarHBondContact O-N 3.33Å; I330-C333 PolarHBondContact O-N 3.11Å; I330-L334 VanDerWaalsContact O-CB 3.25Å; I330-L334 WeakPolarHBondContact O-CB 3.16Å; I330-L334 PolarHBondContact O-N 3.44Å; I330-F350 HydrophobicContact CG2-CD1 4.28Å; I330-F350 HydrophobicContact CG2-CD2 4.28Å; I330-F350 HydrophobicContact CG2-CG 4.18Å
331D80.6Confident79Confident31 Ų3174 Ų7417%0.16638%0.38CS..Hα-helixtrans-56.1-49.4178.2-174.834.3000112.2S327 F328 C333 T335 R354S327-D331 PolarHBondContact O-N 2.85Å; F328-D331 PolarHBondContact O-N 3.43Å; D331-C333 PolarHBondContact O-N 3.48Å; D331-T335 VanDerWaalsContact O-CB 3.24Å; D331-T335 WeakPolarHBondContact O-CB 3.23Å; D331-T335 PolarHBondContact O-N 3.36Å; D331-T335 PolarHBondContact O-OG1 3.45Å; D331-R354 VanDerWaalsContact CG-NH2 3.3Å; D331-R354 IonicContact OD1-NH2 3.23Å; D331-R354 IonicContact OD2-CZ 2.81Å; D331-R354 IonicContact OD2-NH1 2.75Å; D331-R354 IonicContact OD2-NH2 2.86Å; D331-R354 PolarHBondContact OD2-NH2 2.85Å
332L82.1Confident77.6Confident73 Ų7376 Ų7638%0.38239%0.392SS..Hα-helixtrans-65.1-35.5175.6-73.4-179.2000113.8F328 I330 K336F328-L332 HydrophobicContact CD1-CD1 3.95Å; F328-L332 HydrophobicContact CE1-CD1 3.43Å; F328-L332 VanDerWaalsContact CE1-CD1 3.43Å; F328-L332 HydrophobicContact CE1-CG 4.26Å; F328-L332 HydrophobicContact CE2-CD1 4.29Å; F328-L332 HydrophobicContact CE2-CG 4.3Å; F328-L332 HydrophobicContact CZ-CD1 3.63Å; F328-L332 HydrophobicContact CZ-CD2 4.48Å; F328-L332 HydrophobicContact CZ-CG 4.13Å; F328-L332 WeakPolarHBondContact O-CG 3.39Å; F328-L332 PolarHBondContact O-N 3.48Å; I330-L332 PolarHBondContact O-N 3.33Å; L332-K336 WeakPolarHBondContact O-CB 3.35Å; L332-K336 VanDerWaalsContact O-CG 3.32Å; L332-K336 WeakPolarHBondContact O-CG 3.22Å; L332-K336 PolarHBondContact O-N 3.04Å
333C81.8Confident76.3Confident64 Ų6477 Ų7743%0.43240%0.397SS..Hα-helixtrans-71.9-48.7179.8-172.10000110.6Y329 I330 D331 T335 K336 I337Y329-C333 WeakPolarHBondContact O-CB 3.29Å; Y329-C333 PolarHBondContact O-N 3.3Å; I330-C333 PolarHBondContact O-N 3.11Å; D331-C333 PolarHBondContact O-N 3.48Å; C333-T335 PolarHBondContact O-N 2.88Å; C333-K336 PolarHBondContact O-N 3.07Å; C333-K336 VanDerWaalsContact O-N 3.13Å; C333-I337 WeakPolarHBondContact O-CG1 3.45Å; C333-I337 PolarHBondContact O-N 3.21Å; C333-I337 WeakPolarHBondContact SG-CD1 3.36Å
334L77.3Confident75.1Confident41 Ų4181 Ų8122%0.21541%0.409CS..Hα-helixtrans-63-44.2179.7-172.351.6000111.1I330 K336 M338 V342 L347I330-L334 VanDerWaalsContact O-CB 3.25Å; I330-L334 WeakPolarHBondContact O-CB 3.16Å; I330-L334 PolarHBondContact O-N 3.44Å; L334-K336 PolarHBondContact O-N 3.12Å; L334-M338 HydrophobicContact CD1-CB 4.06Å; L334-M338 HydrophobicContact CD1-CG 3.77Å; L334-M338 WeakPolarHBondContact O-CB 3.28Å; L334-M338 PolarHBondContact O-N 3.43Å; L334-V342 HydrophobicContact CD1-CG1 4.49Å; L334-V342 HydrophobicContact CD1-CG2 4.22Å; L334-V342 HydrophobicContact CD2-CG1 4.4Å; L334-L347 HydrophobicContact CB-CD2 4.41Å; L334-L347 HydrophobicContact CD2-CD2 3.65Å; L334-L347 HydrophobicContact CD2-CG 4.47Å; L334-L347 HydrophobicContact CG-CD2 4.06Å
335T74.5Confident74.1Confident79 Ų7987 Ų8749%0.48544%0.436SS..Hα-helixtrans-62.1-26.3174.9-58.20000113.5D331 C333D331-T335 VanDerWaalsContact O-CB 3.24Å; D331-T335 WeakPolarHBondContact O-CB 3.23Å; D331-T335 PolarHBondContact O-N 3.36Å; D331-T335 PolarHBondContact O-OG1 3.45Å; C333-T335 PolarHBondContact O-N 2.88Å
336K76.7Confident72.9Confident163 Ų16388.8 Ų88.871%0.70945%0.45SS*.Hα-helixtrans-91.7-39.5179.3-79-177.6175.1-173.60113.9L332 C333 L334L332-K336 WeakPolarHBondContact O-CB 3.35Å; L332-K336 VanDerWaalsContact O-CG 3.32Å; L332-K336 WeakPolarHBondContact O-CG 3.22Å; L332-K336 PolarHBondContact O-N 3.04Å; C333-K336 PolarHBondContact O-N 3.07Å; C333-K336 VanDerWaalsContact O-N 3.13Å; L334-K336 PolarHBondContact O-N 3.12Å
337I72.4Confident71.9Confident120 Ų12086.7 Ų86.762%0.61544%0.439SS*.Hα-helixtrans-79.9-41.4-178.1-65.2-178.8000110.4C333 L339C333-I337 WeakPolarHBondContact O-CG1 3.45Å; C333-I337 PolarHBondContact O-N 3.21Å; C333-I337 WeakPolarHBondContact SG-CD1 3.36Å; I337-L339 PolarHBondContact O-N 2.91Å
338M62.2Low71.2Confident100 Ų10093.4 Ų93.449%0.49347%0.47SS..  trans-102.171.7-178.3-62.7-61.417600111.2L334 T340 V342L334-M338 HydrophobicContact CD1-CB 4.06Å; L334-M338 HydrophobicContact CD1-CG 3.77Å; L334-M338 WeakPolarHBondContact O-CB 3.28Å; L334-M338 PolarHBondContact O-N 3.43Å; M338-T340 PolarHBondContact O-N 2.97Å; M338-T340 VanDerWaalsContact O-N 3.13Å; M338-V342 HydrophobicContact CB-CB 4.46Å; M338-V342 HydrophobicContact CB-CG2 3.49Å; M338-V342 VanDerWaalsContact CB-CG2 3.49Å; M338-V342 HydrophobicContact CG-CG2 3.76Å
339L60.2Low70.5Confident151 Ų15199.3 Ų99.379%0.79150%0.496SS*.  trans-69.16.6164.8-73.8166.4000113.2I337I337-L339 PolarHBondContact O-N 2.91Å
340T57.5Low69.9Low103 Ų10397.7 Ų97.763%0.63249%0.491SS*.SBendtrans-138.6118.9-174.1-44.20000110.2M338 V342M338-T340 PolarHBondContact O-N 2.97Å; M338-T340 VanDerWaalsContact O-N 3.13Å; T340-V342 PolarHBondContact O-N 2.89Å
341E60.8Low69.4Low194 Ų19496.5 Ų96.591%0.90749%0.487SS*.  trans44.754.6161.3-58.7-170.1174.600118.1
342V58.9Low69.5Low48 Ų48100 Ų10029%0.29151%0.505SS..  trans-100.7131.9160.7170.40000110.3L334 M338 T340 Y344L334-V342 HydrophobicContact CD1-CG1 4.49Å; L334-V342 HydrophobicContact CD1-CG2 4.22Å; L334-V342 HydrophobicContact CD2-CG1 4.4Å; M338-V342 HydrophobicContact CB-CB 4.46Å; M338-V342 HydrophobicContact CB-CG2 3.49Å; M338-V342 VanDerWaalsContact CB-CG2 3.49Å; M338-V342 HydrophobicContact CG-CG2 3.76Å; T340-V342 PolarHBondContact O-N 2.89Å; V342-Y344 PolarHBondContact O-N 3.14Å
343N61.2Low69.5Low108 Ų10899 Ų9958%0.57850%0.5SS*.  trans-62.2128.3179.1-68.9-4.3000111.4E345 S346N343-E345 PolarHBondContact O-N 3.49Å; N343-S346 WeakPolarHBondContact O-CB 3.31Å; N343-S346 PolarHBondContact O-N 2.84Å
344Y63.7Low69.7Low158 Ų15896.5 Ų96.562%0.6248%0.481SS*.Hα-helixtrans-56.1-34.9178.1-68.1-83.1000112.8M277 V342 S346 L347 E348M277-Y344 HydrophobicContact CE-CE1 3.58Å; M277-Y344 HydrophobicContact CE-CE2 4.46Å; M277-Y344 WeakPolarHBondContact CE-OH 3.44Å; V342-Y344 PolarHBondContact O-N 3.14Å; Y344-S346 PolarHBondContact O-N 3.21Å; Y344-L347 WeakPolarHBondContact O-CB 3.19Å; Y344-L347 PolarHBondContact O-N 2.99Å; Y344-E348 PolarHBondContact O-N 2.84Å; Y344-E348 VanDerWaalsContact O-N 3.12Å
345E65.5Low70.1Confident130 Ų13098.5 Ų98.561%0.60749%0.491SS*.Hα-helixtrans-53.3-37.8176-59.8173.1167.100112.8N343 L347 E348 F349N343-E345 PolarHBondContact O-N 3.49Å; E345-L347 PolarHBondContact O-N 2.72Å; E345-E348 PolarHBondContact O-N 3.31Å; E345-F349 PolarHBondContact O-N 2.78Å; E345-F349 VanDerWaalsContact O-N 3.11Å
346S65.7Low70.5Confident53 Ų5397.4 Ų97.437%0.37148%0.481SS..Hα-helixtrans-69.2-33.2178.4-53.20000112.5N343 Y344 F350N343-S346 WeakPolarHBondContact O-CB 3.31Å; N343-S346 PolarHBondContact O-N 2.84Å; Y344-S346 PolarHBondContact O-N 3.21Å; S346-F350 WeakPolarHBondContact O-CD2 3.13Å; S346-F350 PolarHBondContact O-N 3.35Å
347L66.5Low71Confident36 Ų3690.1 Ų90.119%0.18845%0.449CS..Hα-helixtrans-73.2-31.3175.5-68.4164.8000112L334 Y344 E345 S351L334-L347 HydrophobicContact CB-CD2 4.41Å; L334-L347 HydrophobicContact CD2-CD2 3.65Å; L334-L347 HydrophobicContact CD2-CG 4.47Å; L334-L347 HydrophobicContact CG-CD2 4.06Å; Y344-L347 WeakPolarHBondContact O-CB 3.19Å; Y344-L347 PolarHBondContact O-N 2.99Å; E345-L347 PolarHBondContact O-N 2.72Å; L347-S351 PolarHBondContact O-N 3.36Å; L347-S351 PolarHBondContact O-OG 3.36Å
348E69.7Low71.7Confident143 Ų14388.5 Ų88.567%0.66844%0.441SS*.Hα-helixtrans-68.8-40.7173.5-65.6-167168.800111.5Y344 E345 F350 S351 I352Y344-E348 PolarHBondContact O-N 2.84Å; Y344-E348 VanDerWaalsContact O-N 3.12Å; E345-E348 PolarHBondContact O-N 3.31Å; E348-F350 PolarHBondContact O-N 3.31Å; E348-S351 WeakPolarHBondContact O-CA 3.42Å; E348-S351 WeakPolarHBondContact O-CB 3.39Å; E348-S351 PolarHBondContact O-N 3.36Å; E348-I352 PolarHBondContact O-N 3Å
349F70.9Confident72.8Confident138 Ų13888.5 Ų88.561%0.60544%0.439SS*.Hα-helixtrans-57.7-49.8173.6-177.4-97.2000112.7E345 S351 I352E345-F349 PolarHBondContact O-N 2.78Å; E345-F349 VanDerWaalsContact O-N 3.11Å; F349-S351 PolarHBondContact O-N 3.28Å; F349-S351 VanDerWaalsContact O-N 3.17Å; F349-I352 HydrophobicContact CD2-CD1 4.47Å; F349-I352 WeakPolarHBondContact O-CB 3.39Å; F349-I352 PolarHBondContact O-N 3.09Å; F349-I352 VanDerWaalsContact O-N 3.11Å
350F74.5Confident74.1Confident67 Ų6781.5 Ų81.529%0.29440%0.402SS..Hα-helixtrans-62.9-22.1175.3-71-62000113.2I330 S346 E348 I352 I353I330-F350 HydrophobicContact CG2-CD1 4.28Å; I330-F350 HydrophobicContact CG2-CD2 4.28Å; I330-F350 HydrophobicContact CG2-CG 4.18Å; S346-F350 WeakPolarHBondContact O-CD2 3.13Å; S346-F350 PolarHBondContact O-N 3.35Å; E348-F350 PolarHBondContact O-N 3.31Å; F350-I352 VanDerWaalsContact C-N 3.34Å; F350-I353 HydrophobicContact CD1-CD1 3.93Å; F350-I353 WeakPolarHBondContact O-CB 3.31Å; F350-I353 PolarHBondContact O-N 3.46Å
351S75.7Confident75.4Confident27 Ų2777.8 Ų77.819%0.18938%0.378CS..Hα-helixtrans-75-19.7176.8-64.60000113.7F186 L347 E348 F349 I353 R354F186-S351 WeakPolarHBondContact CE2-O 3.08Å; L347-S351 PolarHBondContact O-N 3.36Å; L347-S351 PolarHBondContact O-OG 3.36Å; E348-S351 WeakPolarHBondContact O-CA 3.42Å; E348-S351 WeakPolarHBondContact O-CB 3.39Å; E348-S351 PolarHBondContact O-N 3.36Å; F349-S351 PolarHBondContact O-N 3.28Å; F349-S351 VanDerWaalsContact O-N 3.17Å; S351-I353 VanDerWaalsContact C-N 3.26Å; S351-I353 PolarHBondContact O-N 2.72Å; S351-R354 VanDerWaalsContact O-CB 3.26Å; S351-R354 WeakPolarHBondContact O-CB 3.44Å; S351-R354 VanDerWaalsContact O-CG 3.25Å; S351-R354 WeakPolarHBondContact O-CG 3.5Å; S351-R354 PolarHBondContact O-N 2.99Å; S351-R354 PolarHBondContact OG-NE 3.02Å; S351-R354 PolarHBondContact OG-NH2 3.44Å; S351-R354 VanDerWaalsContact OG-NH2 3.12Å
352I80.8Confident76.5Confident103 Ų10369 Ų6953%0.52834%0.337SS..Hα-helixtrans-63.6-34.1170.3-62.2167.5000110.7E348 F349 F350 R354 I355E348-I352 PolarHBondContact O-N 3Å; F349-I352 HydrophobicContact CD2-CD1 4.47Å; F349-I352 WeakPolarHBondContact O-CB 3.39Å; F349-I352 PolarHBondContact O-N 3.09Å; F349-I352 VanDerWaalsContact O-N 3.11Å; F350-I352 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.02Å; I352-I355 HydrophobicContact CG2-CD1 4.24Å; I352-I355 VanDerWaalsContact O-CB 3.3Å; I352-I355 WeakPolarHBondContact O-CB 3.49Å; I352-I355 VanDerWaalsContact O-CG1 3.32Å; I352-I355 WeakPolarHBondContact O-CG1 3.41Å; I352-I355 PolarHBondContact O-N 2.72Å
353I84.1Confident77.5Confident54 Ų5467.5 Ų67.528%0.27733%0.327SS..G310 helixtrans-61.2-21.8178.9-50.6179.8000111.7F350 S351 I355 M356F350-I353 HydrophobicContact CD1-CD1 3.93Å; F350-I353 WeakPolarHBondContact O-CB 3.31Å; F350-I353 PolarHBondContact O-N 3.46Å; S351-I353 VanDerWaalsContact C-N 3.26Å; S351-I353 PolarHBondContact O-N 2.72Å; I353-I355 PolarHBondContact O-N 3.11Å; I353-I355 VanDerWaalsContact O-N 3.16Å; I353-M356 HydrophobicContact CG2-CG 4.26Å; I353-M356 VanDerWaalsContact O-CB 3.29Å; I353-M356 WeakPolarHBondContact O-CB 3.37Å; I353-M356 WeakPolarHBondContact O-CG 3.31Å; I353-M356 PolarHBondContact O-N 3.5Å
354R85Confident78.5Confident11 Ų1162.9 Ų62.94%0.04230%0.301CS..G310 helixtrans-58.6-27.4174-57.7175.8-161-124.5-8.8112.2F186 E288 D331 S351 I352 M356 R357F186-R354 HydrophobicContact CD2-CB 4.12Å; F186-R354 HydrophobicContact CE2-CB 4.1Å; E288-R354 IonicContact OE1-CZ 3.5Å; E288-R354 IonicContact OE1-NH1 2.74Å; E288-R354 PolarHBondContact OE1-NH1 3.35Å; E288-R354 IonicContact OE2-NH1 3.24Å; E288-R354 PolarHBondContact OE2-NH1 3.26Å; D331-R354 VanDerWaalsContact CG-NH2 3.3Å; D331-R354 IonicContact OD1-NH2 3.23Å; D331-R354 IonicContact OD2-CZ 2.81Å; D331-R354 IonicContact OD2-NH1 2.75Å; D331-R354 IonicContact OD2-NH2 2.86Å; D331-R354 PolarHBondContact OD2-NH2 2.85Å; S351-R354 VanDerWaalsContact O-CB 3.26Å; S351-R354 WeakPolarHBondContact O-CB 3.44Å; S351-R354 VanDerWaalsContact O-CG 3.25Å; S351-R354 WeakPolarHBondContact O-CG 3.5Å; S351-R354 PolarHBondContact O-N 2.99Å; S351-R354 PolarHBondContact OG-NE 3.02Å; S351-R354 PolarHBondContact OG-NH2 3.44Å; S351-R354 VanDerWaalsContact OG-NH2 3.12Å; I352-R354 PolarHBondContact O-N 3.02Å; R354-M356 PolarHBondContact O-N 3.14Å; R354-R357 WeakPolarHBondContact O-CB 3.19Å; R354-R357 VanDerWaalsContact O-CD 3.22Å; R354-R357 WeakPolarHBondContact O-CD 3.4Å; R354-R357 WeakPolarHBondContact O-CG 3.33Å; R354-R357 PolarHBondContact O-N 3.06Å
355I85.1Confident79.4Confident83 Ų8359.2 Ų59.243%0.42629%0.292SS..G310 helixtrans-62.2-25.7177.3-59.9173.5000111.9F186 I352 I353 R357 L358F186-I355 HydrophobicContact CD1-CG1 4.45Å; F186-I355 HydrophobicContact CE1-CD1 4.02Å; F186-I355 HydrophobicContact CE1-CG1 3.6Å; F186-I355 HydrophobicContact CZ-CD1 4.17Å; F186-I355 HydrophobicContact CZ-CG1 3.82Å; I352-I355 HydrophobicContact CG2-CD1 4.24Å; I352-I355 VanDerWaalsContact O-CB 3.3Å; I352-I355 WeakPolarHBondContact O-CB 3.49Å; I352-I355 VanDerWaalsContact O-CG1 3.32Å; I352-I355 WeakPolarHBondContact O-CG1 3.41Å; I352-I355 PolarHBondContact O-N 2.72Å; I353-I355 PolarHBondContact O-N 3.11Å; I353-I355 VanDerWaalsContact O-N 3.16Å; I355-R357 PolarHBondContact O-N 3.27Å; I355-L358 WeakPolarHBondContact O-CB 3.42Å; I355-L358 PolarHBondContact O-N 2.86Å
356M84.4Confident79.7Confident55 Ų5555.5 Ų55.527%0.27128%0.283SS..G310 helixtrans-57.4-18.7176.9-65.4-60.2-67.200113.7A324 I353 R354 L358 F359A324-M356 HydrophobicContact CB-CB 4.29Å; I353-M356 HydrophobicContact CG2-CG 4.26Å; I353-M356 VanDerWaalsContact O-CB 3.29Å; I353-M356 WeakPolarHBondContact O-CB 3.37Å; I353-M356 WeakPolarHBondContact O-CG 3.31Å; I353-M356 PolarHBondContact O-N 3.5Å; R354-M356 PolarHBondContact O-N 3.14Å; M356-L358 PolarHBondContact O-N 3.2Å; M356-F359 HydrophobicContact CE-CD2 3.81Å; M356-F359 HydrophobicContact CE-CE2 4.25Å; M356-F359 PolarHBondContact O-N 3.43Å; M356-F359 VanDerWaalsContact O-N 3.08Å; M356-F359 HydrophobicContact SD-CD2 3.83Å; M356-F359 HydrophobicContact SD-CE2 3.9Å
357R86.2Confident80.2Confident10 Ų1055 Ų554%0.03829%0.287CS..G310 helixtrans-57.8-28.1172-66.5165.8-164.2-139.2-13.1112.9N292 A324 R354 I355 F359 K360N292-R357 PolarHBondContact ND2-NH1 2.96Å; N292-R357 VanDerWaalsContact ND2-NH1 3.18Å; N292-R357 PolarHBondContact OD1-NH1 3.45Å; N292-R357 PolarHBondContact OD1-NH2 2.97Å; A324-R357 HydrophobicContact CB-CG 3.85Å; A324-R357 PolarHBondContact O-NH2 3.08Å; R354-R357 WeakPolarHBondContact O-CB 3.19Å; R354-R357 VanDerWaalsContact O-CD 3.22Å; R354-R357 WeakPolarHBondContact O-CD 3.4Å; R354-R357 WeakPolarHBondContact O-CG 3.33Å; R354-R357 PolarHBondContact O-N 3.06Å; I355-R357 PolarHBondContact O-N 3.27Å; R357-F359 VanDerWaalsContact C-N 3.3Å; R357-F359 PolarHBondContact O-N 3.24Å; R357-K360 WeakPolarHBondContact O-CB 3.17Å; R357-K360 PolarHBondContact O-N 2.97Å; R357-K360 VanDerWaalsContact O-N 3.14Å
358L87.6Confident81Confident86 Ų8656 Ų5645%0.4529%0.292SS..G310 helixtrans-59.1-42.3174.1-175.268000111.4I183 I355 M356 K360 L361I183-L358 HydrophobicContact CD1-CB 4.35Å; I183-L358 HydrophobicContact CD1-CD1 3.96Å; I355-L358 WeakPolarHBondContact O-CB 3.42Å; I355-L358 PolarHBondContact O-N 2.86Å; M356-L358 PolarHBondContact O-N 3.2Å; L358-K360 PolarHBondContact O-N 3.13Å; L358-L361 HydrophobicContact CD1-CD1 4.05Å; L358-L361 WeakPolarHBondContact O-CB 3.41Å; L358-L361 WeakPolarHBondContact O-CG 3.32Å; L358-L361 PolarHBondContact O-N 3.07Å; L358-L361 VanDerWaalsContact O-N 3.13Å
359F85.4Confident81.4Confident101 Ų10150.8 Ų50.844%0.44327%0.267SS..G310 helixtrans-69.1-13.5179-63.3-66000113.5I320 M356 R357 L361 T362I320-F359 HydrophobicContact CD1-CB 4.3Å; I320-F359 HydrophobicContact CG2-CB 3.64Å; M356-F359 HydrophobicContact CE-CD2 3.81Å; M356-F359 HydrophobicContact CE-CE2 4.25Å; M356-F359 PolarHBondContact O-N 3.43Å; M356-F359 VanDerWaalsContact O-N 3.08Å; M356-F359 HydrophobicContact SD-CD2 3.83Å; M356-F359 HydrophobicContact SD-CE2 3.9Å; R357-F359 VanDerWaalsContact C-N 3.3Å; R357-F359 PolarHBondContact O-N 3.24Å; F359-L361 PolarHBondContact O-N 3.15Å; F359-T362 VanDerWaalsContact O-CB 3.3Å; F359-T362 WeakPolarHBondContact O-CB 3.25Å; F359-T362 WeakPolarHBondContact O-CG2 3.1Å; F359-T362 PolarHBondContact O-N 2.84Å; F359-T362 PolarHBondContact O-OG1 3.21Å
360K86.4Confident81.7Confident4 Ų445.7 Ų45.72%0.01725%0.246CC..G310 helixtrans-62.8-25.3170.8-169.7173173.3143.80112.4I179 F295 E298 D321 R357 L358 T362 R363I179-K360 HydrophobicContact CD1-CB 3.94Å; I179-K360 HydrophobicContact CD1-CD 3.71Å; I179-K360 HydrophobicContact CD1-CG 3.64Å; I179-K360 HydrophobicContact CG1-CB 4.4Å; I179-K360 HydrophobicContact CG1-CD 3.91Å; I179-K360 HydrophobicContact CG1-CG 4.3Å; F295-K360 HydrophobicContact CD1-CD 4.44Å; F295-K360 HydrophobicContact CE1-CD 4.49Å; E298-K360 VanDerWaalsContact CD-NZ 3.29Å; E298-K360 VanDerWaalsContact OE1-CE 3.31Å; E298-K360 WeakPolarHBondContact OE1-CE 3.42Å; E298-K360 IonicContact OE1-NZ 3.67Å; E298-K360 PolarHBondContact OE1-NZ 2.91Å; E298-K360 WeakPolarHBondContact OE2-CE 3.24Å; E298-K360 IonicContact OE2-NZ 3.85Å; E298-K360 PolarHBondContact OE2-NZ 3.05Å; D321-K360 WeakPolarHBondContact OD1-CD 3.31Å; D321-K360 WeakPolarHBondContact OD1-CE 3.47Å; D321-K360 IonicContact OD1-NZ 3.82Å; D321-K360 PolarHBondContact OD1-NZ 3.45Å; R357-K360 WeakPolarHBondContact O-CB 3.17Å; R357-K360 PolarHBondContact O-N 2.97Å; R357-K360 VanDerWaalsContact O-N 3.14Å; L358-K360 PolarHBondContact O-N 3.13Å; K360-T362 PolarHBondContact O-N 3.32Å; K360-T362 VanDerWaalsContact O-N 3.15Å; K360-R363 PolarHBondContact O-N 3.13Å
361L85.4Confident82.1Confident24 Ų2445.5 Ų45.513%0.12625%0.248CC..G310 helixtrans-60.8-19.6172.9-62.3176.5000113V176 I179 L358 F359 R363 H364 I365 L368V176-L361 HydrophobicContact CG1-CD2 4.46Å; V176-L361 HydrophobicContact CG2-CD2 4.41Å; I179-L361 HydrophobicContact CB-CD2 4.21Å; I179-L361 HydrophobicContact CD1-CD2 4.04Å; I179-L361 HydrophobicContact CG2-CD2 3.71Å; I179-L361 HydrophobicContact CG2-CG 3.93Å; L358-L361 HydrophobicContact CD1-CD1 4.05Å; L358-L361 WeakPolarHBondContact O-CB 3.41Å; L358-L361 WeakPolarHBondContact O-CG 3.32Å; L358-L361 PolarHBondContact O-N 3.07Å; L358-L361 VanDerWaalsContact O-N 3.13Å; F359-L361 PolarHBondContact O-N 3.15Å; L361-R363 PolarHBondContact O-N 2.94Å; L361-H364 PolarHBondContact O-N 3.43Å; L361-I365 HydrophobicContact CB-CD1 4.06Å; L361-I365 PolarHBondContact O-N 2.99Å; L361-L368 HydrophobicContact CB-CD1 4.35Å
362T83Confident82.5Confident9 Ų948.5 Ų48.56%0.05526%0.261CS..G310 helixtrans-60.8-26.2175.660.90000113.7F359 K360 H364 L368 K369 I372F359-T362 VanDerWaalsContact O-CB 3.3Å; F359-T362 WeakPolarHBondContact O-CB 3.25Å; F359-T362 WeakPolarHBondContact O-CG2 3.1Å; F359-T362 PolarHBondContact O-N 2.84Å; F359-T362 PolarHBondContact O-OG1 3.21Å; K360-T362 PolarHBondContact O-N 3.32Å; K360-T362 VanDerWaalsContact O-N 3.15Å; T362-H364 VanDerWaalsContact C-N 3.32Å; T362-L368 HydrophobicContact CG2-CB 4.04Å; T362-L368 HydrophobicContact CG2-CD1 4.14Å; T362-K369 WeakPolarHBondContact O-CE 3.29Å; T362-K369 WeakPolarHBondContact O-CG 3.41Å; T362-I372 HydrophobicContact CG2-CD1 4.02Å
363R80.6Confident82.4Confident17 Ų1746.7 Ų46.76%0.06425%0.25CS..G310 helixtrans-68-34.2172.3-172-178.7-75.2108.5-5.6111.6E298 R302 I317 N318 D321 K360 L361E298-R363 IonicContact OE1-NH1 3.94Å; R302-R363 VanDerWaalsContact CZ-CZ 3.41Å; R302-R363 VanDerWaalsContact NH1-CZ 3.33Å; I317-R363 HydrophobicContact CG2-CB 4.21Å; N318-R363 PolarHBondContact OD1-NH2 3.04Å; N318-R363 VanDerWaalsContact OD1-NH2 3.1Å; D321-R363 IonicContact OD2-CZ 3.45Å; D321-R363 IonicContact OD2-NH1 3.06Å; D321-R363 PolarHBondContact OD2-NH1 3.34Å; D321-R363 IonicContact OD2-NH2 3.59Å; D321-R363 PolarHBondContact OD2-NH2 3.4Å; K360-R363 PolarHBondContact O-N 3.13Å; L361-R363 PolarHBondContact O-N 2.94Å
364H81.7Confident82.4Confident11 Ų1144.4 Ų44.45%0.05124%0.238CC..THydrogen-bonded Turntrans-97.8-27.1-172-57.6-63000113.8C162 Y163 S175 V176 L361 T362C162-H364 VanDerWaalsContact SG-CE1 3.55Å; C162-H364 PolarHBondContact SG-ND1 3.21Å; C162-H364 VanDerWaalsContact SG-ND1 3.35Å; Y163-H364 PolarHBondContact OH-O 2.94Å; Y163-H364 VanDerWaalsContact OH-O 3.07Å; S175-H364 PolarHBondContact OG-CE1 3.45Å; S175-H364 PolarHBondContact OG-NE2 2.92Å; V176-H364 HydrophobicContact CG2-CB 3.82Å; L361-H364 PolarHBondContact O-N 3.43Å; T362-H364 VanDerWaalsContact C-N 3.32Å
365I82.7Confident82.4Confident81 Ų8148.5 Ų48.542%0.41526%0.257SS..  trans-107.797.3-178.1-54.2177.8000109.2L361 G367 L368L361-I365 HydrophobicContact CB-CD1 4.06Å; L361-I365 PolarHBondContact O-N 2.99Å; I365-G367 PolarHBondContact O-N 3.21Å; I365-G367 VanDerWaalsContact O-N 3.16Å; I365-L368 HydrophobicContact CB-CD1 4.05Å; I365-L368 HydrophobicContact CB-CG 4.18Å; I365-L368 HydrophobicContact CD1-CD1 4.2Å; I365-L368 HydrophobicContact CG2-CD1 4.37Å; I365-L368 HydrophobicContact CG2-CG 4.04Å; I365-L368 PolarHBondContact O-N 2.97Å
366A72.8Confident82.5Confident52 Ų5253.8 Ų53.843%0.4327%0.271SS..Hα-helixtrans-55.3-33.1178.800000113.1L368 K369 I370A366-L368 PolarHBondContact O-N 3.28Å; A366-K369 WeakPolarHBondContact O-CB 3.38Å; A366-K369 PolarHBondContact O-N 3.49Å; A366-I370 WeakPolarHBondContact O-CG1 3.46Å; A366-I370 PolarHBondContact O-N 3.21Å
367G76.3Confident82.4Confident44 Ų4453.4 Ų53.445%0.45428%0.277SS..Hα-helixtrans-56.1-33.2174.300000114.3I365 L371I365-G367 PolarHBondContact O-N 3.21Å; I365-G367 VanDerWaalsContact O-N 3.16Å; G367-L371 WeakPolarHBondContact O-CB 3.21Å; G367-L371 PolarHBondContact O-N 3.39Å
368L81.7Confident82.4Confident57 Ų5753 Ų5330%0.29828%0.276SS..Hα-helixtrans-73.7-33.5175.6-65.9173.5000112L361 T362 I365 A366 L371 I372L361-L368 HydrophobicContact CB-CD1 4.35Å; T362-L368 HydrophobicContact CG2-CB 4.04Å; T362-L368 HydrophobicContact CG2-CD1 4.14Å; I365-L368 HydrophobicContact CB-CD1 4.05Å; I365-L368 HydrophobicContact CB-CG 4.18Å; I365-L368 HydrophobicContact CD1-CD1 4.2Å; I365-L368 HydrophobicContact CG2-CD1 4.37Å; I365-L368 HydrophobicContact CG2-CG 4.04Å; I365-L368 PolarHBondContact O-N 2.97Å; A366-L368 PolarHBondContact O-N 3.28Å; L368-L371 HydrophobicContact CD2-CD2 4.49Å; L368-L371 PolarHBondContact O-N 2.91Å; L368-I372 WeakPolarHBondContact O-CD1 3.33Å; L368-I372 VanDerWaalsContact O-CG1 3.24Å; L368-I372 WeakPolarHBondContact O-CG1 3.3Å; L368-I372 PolarHBondContact O-N 2.85Å
369K77.9Confident82.6Confident32 Ų3253 Ų5314%0.13928%0.276CS..Hα-helixtrans-65.2-45173.9-56.7-174.6-178.3174.70111L118 D121 T362 A366 I372 H373L118-K369 HydrophobicContact CD2-CB 3.63Å; L118-K369 HydrophobicContact CD2-CD 4.5Å; D121-K369 IonicContact OD2-NZ 2.72Å; D121-K369 PolarHBondContact OD2-NZ 3.29Å; T362-K369 WeakPolarHBondContact O-CE 3.29Å; T362-K369 WeakPolarHBondContact O-CG 3.41Å; A366-K369 WeakPolarHBondContact O-CB 3.38Å; A366-K369 PolarHBondContact O-N 3.49Å; K369-I372 PolarHBondContact O-N 3.36Å; K369-H373 PolarHBondContact O-CD2 3.27Å; K369-H373 PolarHBondContact O-N 2.87Å
370I77.3Confident82.7Confident32 Ų3256.1 Ų56.116%0.16429%0.289CS..Hα-helixtrans-58.5-49174.9-63.2158.8000109.9L118 A366 I372 H373 T374 T493L118-I370 HydrophobicContact CD1-CG1 4.43Å; A366-I370 WeakPolarHBondContact O-CG1 3.46Å; A366-I370 PolarHBondContact O-N 3.21Å; I370-I372 PolarHBondContact O-N 2.67Å; I370-H373 PolarHBondContact O-N 2.85Å; I370-H373 VanDerWaalsContact O-N 3.11Å; I370-T374 PolarHBondContact O-N 3.13Å; I370-T374 PolarHBondContact O-OG1 3.01Å; I370-T493 HydrophobicContact CD1-CG2 3.81Å
371L83.7Confident82.7Confident63 Ų6359 Ų5933%0.3330%0.302SS..Hα-helixtrans-57.7-44.5178.2-174.565.5000112.6G367 L368 H373 T374 F375 F486G367-L371 WeakPolarHBondContact O-CB 3.21Å; G367-L371 PolarHBondContact O-N 3.39Å; L368-L371 HydrophobicContact CD2-CD2 4.49Å; L368-L371 PolarHBondContact O-N 2.91Å; L371-H373 VanDerWaalsContact C-N 3.33Å; L371-H373 PolarHBondContact O-N 3Å; L371-T374 PolarHBondContact O-N 3.04Å; L371-F375 HydrophobicContact CD1-CD2 4Å; L371-F375 HydrophobicContact CD1-CE2 3.62Å; L371-F375 HydrophobicContact CD1-CZ 4.48Å; L371-F375 HydrophobicContact CD2-CE2 4.28Å; L371-F375 HydrophobicContact CG-CD2 3.9Å; L371-F375 HydrophobicContact CG-CE2 3.75Å; L371-F375 VanDerWaalsContact O-CD2 3.29Å; L371-F375 WeakPolarHBondContact O-CD2 3.2Å; L371-F375 PolarHBondContact O-N 3.4Å; L371-F486 HydrophobicContact CD1-CD2 4.35Å; L371-F486 HydrophobicContact CD1-CE2 4.02Å
372I83.5Confident82.8Confident90 Ų9060.5 Ų60.546%0.46231%0.31SS..Hα-helixtrans-61.7-40.3175.9-70.8163.2000111.3T362 L368 K369 I370 R376T362-I372 HydrophobicContact CG2-CD1 4.02Å; L368-I372 WeakPolarHBondContact O-CD1 3.33Å; L368-I372 VanDerWaalsContact O-CG1 3.24Å; L368-I372 WeakPolarHBondContact O-CG1 3.3Å; L368-I372 PolarHBondContact O-N 2.85Å; K369-I372 PolarHBondContact O-N 3.36Å; I370-I372 PolarHBondContact O-N 2.67Å; I372-R376 WeakPolarHBondContact O-CB 3.38Å; I372-R376 PolarHBondContact O-N 3.15Å
373H80.1Confident83.2Confident65 Ų6565.1 Ų65.130%0.30133%0.334SS..Hα-helixtrans-71.3-39178.1-81.2-131.1000112.4L118 K369 I370 L371 R376 A377L118-H373 HydrophobicContact CD1-CB 4Å; K369-H373 PolarHBondContact O-CD2 3.27Å; K369-H373 PolarHBondContact O-N 2.87Å; I370-H373 PolarHBondContact O-N 2.85Å; I370-H373 VanDerWaalsContact O-N 3.11Å; L371-H373 VanDerWaalsContact C-N 3.33Å; L371-H373 PolarHBondContact O-N 3Å; H373-R376 PolarHBondContact O-N 3.34Å; H373-A377 PolarHBondContact O-N 3.14Å
374T83.3Confident83.5Confident5 Ų568.9 Ų68.93%0.03135%0.354CS..Hα-helixtrans-60.9-45.6171.9-57.40000111.5I370 L371 R376 A377 S378 F486 F489I370-T374 PolarHBondContact O-N 3.13Å; I370-T374 PolarHBondContact O-OG1 3.01Å; L371-T374 PolarHBondContact O-N 3.04Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3.41Å; T374-A377 PolarHBondContact O-N 2.96Å; T374-S378 PolarHBondContact O-N 3.48Å; T374-S378 PolarHBondContact O-OG 2.98Å; T374-F486 HydrophobicContact CG2-CB 3.96Å; T374-F486 HydrophobicContact CG2-CD2 4.1Å; T374-F489 HydrophobicContact CG2-CD2 4.13Å
375F85.6Confident83.8Confident98 Ų9869.5 Ų69.543%0.4336%0.358SS..Hα-helixtrans-63.9-34175.4-84.1-59.8000112.9L371 L379 L382L371-F375 HydrophobicContact CD1-CD2 4Å; L371-F375 HydrophobicContact CD1-CE2 3.62Å; L371-F375 HydrophobicContact CD1-CZ 4.48Å; L371-F375 HydrophobicContact CD2-CE2 4.28Å; L371-F375 HydrophobicContact CG-CD2 3.9Å; L371-F375 HydrophobicContact CG-CE2 3.75Å; L371-F375 VanDerWaalsContact O-CD2 3.29Å; L371-F375 WeakPolarHBondContact O-CD2 3.2Å; L371-F375 PolarHBondContact O-N 3.4Å; F375-L379 WeakPolarHBondContact O-CB 3.44Å; F375-L379 PolarHBondContact O-N 3.4Å; F375-L382 HydrophobicContact CD1-CD2 4.28Å
376R87.1Confident84.1Confident194 Ų19468.9 Ų68.973%0.73236%0.358SS*.Hα-helixtrans-68.5-35.5174-176.4-176.7174.995.43.2112.2I372 H373 T374 L379I372-R376 WeakPolarHBondContact O-CB 3.38Å; I372-R376 PolarHBondContact O-N 3.15Å; H373-R376 PolarHBondContact O-N 3.34Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3.41Å; R376-L379 WeakPolarHBondContact O-CB 3.23Å
377A82.6Confident84.9Confident46 Ų4672.4 Ų72.438%0.3836%0.364SS..Hα-helixtrans-69.2-53.1175.400000110.9H373 T374 L379 F489H373-A377 PolarHBondContact O-N 3.14Å; T374-A377 PolarHBondContact O-N 2.96Å; A377-L379 PolarHBondContact O-N 2.84Å; A377-F489 HydrophobicContact CB-CE2 3.69Å; A377-F489 HydrophobicContact CB-CZ 3.87Å
378S86.6Confident85.6Confident2 Ų274.9 Ų74.91%0.01436%0.362CS..THydrogen-bonded Turntrans-76.120.5178.9-53.30000114.5T374 E381 L382 N485T374-S378 PolarHBondContact O-N 3.48Å; T374-S378 PolarHBondContact O-OG 2.98Å; S378-E381 WeakPolarHBondContact CA-OE2 3.43Å; S378-L382 VanDerWaalsContact O-CB 3.29Å; S378-L382 WeakPolarHBondContact O-CB 3.35Å; S378-L382 PolarHBondContact O-N 3.42Å; S378-N485 WeakPolarHBondContact OG-CB 3.34Å; S378-N485 PolarHBondContact OG-ND2 3.11Å
379L89.9Confident86Confident86 Ų8674 Ų7445%0.4536%0.357SS..Hα-helixtrans-74-29-171.7-179.8142.5000112.6F375 R376 A377 I383F375-L379 WeakPolarHBondContact O-CB 3.44Å; F375-L379 PolarHBondContact O-N 3.4Å; R376-L379 WeakPolarHBondContact O-CB 3.23Å; A377-L379 PolarHBondContact O-N 2.84Å; L379-I383 HydrophobicContact CD2-CD1 3.57Å; L379-I383 HydrophobicContact CD2-CG1 4.46Å; L379-I383 HydrophobicContact CG-CD1 4.21Å; L379-I383 WeakPolarHBondContact O-CB 3.5Å; L379-I383 VanDerWaalsContact O-CG1 3.29Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.49Å
380K87.6Confident86.7Confident167 Ų16776.9 Ų76.973%0.72637%0.374SS*.Hα-helixtrans-69.9-43.6178.9-63.2176.4-178.8175.10110.4I383 L384K380-I383 PolarHBondContact O-N 3.05Å; K380-L384 PolarHBondContact O-N 3.35Å; K380-L384 VanDerWaalsContact O-N 3.09Å
381E87Confident87.5Confident63 Ų6378.2 Ų78.229%0.29438%0.383SS..Hα-helixtrans-68.1-40.2179-57.573.6-165.600110.7S378 L384 L385 V481S378-E381 WeakPolarHBondContact CA-OE2 3.43Å; E381-L384 WeakPolarHBondContact O-CB 3.43Å; E381-L384 PolarHBondContact O-N 3.39Å; E381-L385 PolarHBondContact O-N 3.1Å; E381-V481 HydrophobicContact CG-CG1 4.02Å
382L87.9Confident88Confident56 Ų5678.3 Ų78.329%0.29338%0.381SS..Hα-helixtrans-66.9-39.4174.6-175.658.9000112.7F375 S378 L384 L385 V386 I482F375-L382 HydrophobicContact CD1-CD2 4.28Å; S378-L382 VanDerWaalsContact O-CB 3.29Å; S378-L382 WeakPolarHBondContact O-CB 3.35Å; S378-L382 PolarHBondContact O-N 3.42Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L385 HydrophobicContact CD1-CD2 4.23Å; L382-L385 PolarHBondContact O-N 3.45Å; L382-V386 WeakPolarHBondContact O-CG2 3.37Å; L382-V386 PolarHBondContact O-N 3.48Å; L382-I482 HydrophobicContact CD1-CD1 4.23Å
383I90.8Very high88.5Confident107 Ų10774.8 Ų74.855%0.54936%0.363SS..Hα-helixtrans-64.1-39.6173.7-74.9172.7000110.8L379 K380 V386 F387L379-I383 HydrophobicContact CD2-CD1 3.57Å; L379-I383 HydrophobicContact CD2-CG1 4.46Å; L379-I383 HydrophobicContact CG-CD1 4.21Å; L379-I383 WeakPolarHBondContact O-CB 3.5Å; L379-I383 VanDerWaalsContact O-CG1 3.29Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.49Å; K380-I383 PolarHBondContact O-N 3.05Å; I383-V386 PolarHBondContact O-N 3.41Å; I383-F387 WeakPolarHBondContact O-CB 3.29Å; I383-F387 PolarHBondContact O-N 3.12Å
384L87.2Confident89.2Confident95 Ų9575.3 Ų75.350%0.49737%0.37SS..Hα-helixtrans-63.1-43.1176.4-172.266.2000112.2K380 E381 L382 F387 F388K380-L384 PolarHBondContact O-N 3.35Å; K380-L384 VanDerWaalsContact O-N 3.09Å; E381-L384 WeakPolarHBondContact O-CB 3.43Å; E381-L384 PolarHBondContact O-N 3.39Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L384-F387 PolarHBondContact O-N 3.39Å; L384-F388 HydrophobicContact CD1-CD2 4.13Å; L384-F388 HydrophobicContact CD1-CE2 3.51Å; L384-F388 HydrophobicContact CD1-CZ 4.06Å; L384-F388 HydrophobicContact CD2-CE2 4.23Å; L384-F388 HydrophobicContact CG-CD2 4.02Å; L384-F388 HydrophobicContact CG-CE2 3.63Å; L384-F388 VanDerWaalsContact O-CD2 3.28Å; L384-F388 WeakPolarHBondContact O-CD2 3.37Å; L384-F388 PolarHBondContact O-N 3.13Å; L384-F388 VanDerWaalsContact O-N 3.15Å
385L87.2Confident89.8Confident24 Ų2478.9 Ų78.913%0.12639%0.388CS..Hα-helixtrans-56.2-52.3171.7169.258.8000111.5E381 L382 F387 F388 L389 P478E381-L385 PolarHBondContact O-N 3.1Å; L382-L385 HydrophobicContact CD1-CD2 4.23Å; L382-L385 PolarHBondContact O-N 3.45Å; L385-F387 VanDerWaalsContact C-N 3.3Å; L385-F387 PolarHBondContact O-N 2.95Å; L385-F388 PolarHBondContact O-N 3.5Å; L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 PolarHBondContact O-N 3.17Å; L385-P478 HydrophobicContact CB-CB 3.94Å; L385-P478 HydrophobicContact CB-CG 3.82Å; L385-P478 HydrophobicContact CD1-CB 4.48Å; L385-P478 HydrophobicContact CD1-CG 3.83Å; L385-P478 HydrophobicContact CD2-CB 4.36Å; L385-P478 HydrophobicContact CG-CB 4.47Å; L385-P478 HydrophobicContact CG-CG 4.24Å
386V89.6Confident90.1Very high68 Ų6875 Ų7541%0.41237%0.371SS..Hα-helixtrans-63.1-37.4-177.4171.30000111.3L382 I383 I390L382-V386 WeakPolarHBondContact O-CG2 3.37Å; L382-V386 PolarHBondContact O-N 3.48Å; I383-V386 PolarHBondContact O-N 3.41Å; V386-I390 HydrophobicContact CG1-CD1 3.7Å; V386-I390 HydrophobicContact CG1-CG1 4.4Å; V386-I390 WeakPolarHBondContact O-CB 3.5Å; V386-I390 WeakPolarHBondContact O-CD1 3.05Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 3.2Å; V386-I390 PolarHBondContact O-N 3.05Å
387F90.8Very high90.3Very high126 Ų12665.7 Ų65.755%0.55334%0.336SS*.Hα-helixtrans-61-54.2175.6177.1-99.7000112.3I383 L384 L385 L389 I390 V391I383-F387 WeakPolarHBondContact O-CB 3.29Å; I383-F387 PolarHBondContact O-N 3.12Å; L384-F387 PolarHBondContact O-N 3.39Å; L385-F387 VanDerWaalsContact C-N 3.3Å; L385-F387 PolarHBondContact O-N 2.95Å; F387-L389 VanDerWaalsContact C-N 3.35Å; F387-L389 PolarHBondContact O-N 3.42Å; F387-I390 PolarHBondContact O-N 2.87Å; F387-V391 HydrophobicContact CE1-CG2 4.41Å; F387-V391 HydrophobicContact CE2-CG2 4.5Å; F387-V391 HydrophobicContact CZ-CG2 4.27Å; F387-V391 WeakPolarHBondContact O-CG2 3.49Å; F387-V391 PolarHBondContact O-N 2.82Å; F387-V391 VanDerWaalsContact O-N 3.14Å
388F89.3Confident90.8Very high97 Ų9764.9 Ų64.943%0.42533%0.329SS..Hα-helixtrans-62.9-41.4179.1-72.4-55.5000112.3L384 L385 I390 V391 F392 T474L384-F388 HydrophobicContact CD1-CD2 4.13Å; L384-F388 HydrophobicContact CD1-CE2 3.51Å; L384-F388 HydrophobicContact CD1-CZ 4.06Å; L384-F388 HydrophobicContact CD2-CE2 4.23Å; L384-F388 HydrophobicContact CG-CD2 4.02Å; L384-F388 HydrophobicContact CG-CE2 3.63Å; L384-F388 VanDerWaalsContact O-CD2 3.28Å; L384-F388 WeakPolarHBondContact O-CD2 3.37Å; L384-F388 PolarHBondContact O-N 3.13Å; L384-F388 VanDerWaalsContact O-N 3.15Å; L385-F388 PolarHBondContact O-N 3.5Å; F388-I390 PolarHBondContact O-N 2.99Å; F388-V391 PolarHBondContact O-N 3.36Å; F388-F392 HydrophobicContact CB-CE2 4.44Å; F388-F392 WeakPolarHBondContact O-CD2 3.42Å; F388-F392 PolarHBondContact O-N 3.47Å; F388-T474 HydrophobicContact CB-CG2 4.26Å
389L91.4Very high91Very high38 Ų3868.8 Ų68.820%0.19935%0.35CS..Hα-helixtrans-59.1-45.7177.4-178.1124.8000111.6L385 F387 V391 F392 I393 T474 I475L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 PolarHBondContact O-N 3.17Å; F387-L389 VanDerWaalsContact C-N 3.35Å; F387-L389 PolarHBondContact O-N 3.42Å; L389-V391 PolarHBondContact O-N 2.99Å; L389-F392 PolarHBondContact O-N 2.93Å; L389-I393 HydrophobicContact CD2-CD1 3.47Å; L389-I393 VanDerWaalsContact CD2-CD1 3.47Å; L389-I393 HydrophobicContact CG-CD1 3.76Å; L389-I393 WeakPolarHBondContact O-CB 3.46Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.3Å; L389-I393 PolarHBondContact O-N 3.08Å; L389-T474 HydrophobicContact CB-CG2 4.47Å; L389-I475 HydrophobicContact CD1-CG1 4.34Å
390I93Very high90.9Very high93 Ų9364.7 Ų64.748%0.47733%0.328SS..Hα-helixtrans-61.3-43.9176-71.8167.3000111.7V386 F387 F388 I393 V394V386-I390 HydrophobicContact CG1-CD1 3.7Å; V386-I390 HydrophobicContact CG1-CG1 4.4Å; V386-I390 WeakPolarHBondContact O-CB 3.5Å; V386-I390 WeakPolarHBondContact O-CD1 3.05Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 3.2Å; V386-I390 PolarHBondContact O-N 3.05Å; F387-I390 PolarHBondContact O-N 2.87Å; F388-I390 PolarHBondContact O-N 2.99Å; I390-I393 PolarHBondContact O-N 3.24Å; I390-V394 WeakPolarHBondContact O-CG2 3.47Å; I390-V394 PolarHBondContact O-N 2.71Å; I390-V394 VanDerWaalsContact O-N 3.09Å
391V93.9Very high90.8Very high59 Ų5958.5 Ų58.536%0.35830%0.301SS..Hα-helixtrans-60.4-48.2179.5170.80000111.1F387 F388 L389 V394 I395F387-V391 HydrophobicContact CE1-CG2 4.41Å; F387-V391 HydrophobicContact CE2-CG2 4.5Å; F387-V391 HydrophobicContact CZ-CG2 4.27Å; F387-V391 WeakPolarHBondContact O-CG2 3.49Å; F387-V391 PolarHBondContact O-N 2.82Å; F387-V391 VanDerWaalsContact O-N 3.14Å; F388-V391 PolarHBondContact O-N 3.36Å; L389-V391 PolarHBondContact O-N 2.99Å; V391-V394 PolarHBondContact O-N 3.33Å; V391-I395 HydrophobicContact CG1-CD1 3.83Å; V391-I395 WeakPolarHBondContact O-CG1 3.34Å; V391-I395 PolarHBondContact O-N 3.44Å; V391-I395 VanDerWaalsContact O-N 3.12Å
392F93.6Very high90.8Very high66 Ų6661.7 Ų61.729%0.28931%0.311SS..Hα-helixtrans-66.9-39.8178.3-71.8-56.7000112.9F388 L389 V394 I395 F396 M428 T470 T474F388-F392 HydrophobicContact CB-CE2 4.44Å; F388-F392 WeakPolarHBondContact O-CD2 3.42Å; F388-F392 PolarHBondContact O-N 3.47Å; L389-F392 PolarHBondContact O-N 2.93Å; F392-V394 VanDerWaalsContact C-N 3.31Å; F392-V394 PolarHBondContact O-N 3.23Å; F392-I395 PolarHBondContact O-N 3.45Å; F392-F396 HydrophobicContact CB-CD2 4.24Å; F392-F396 HydrophobicContact CB-CE2 4.24Å; F392-F396 HydrophobicContact CD1-CE2 4.27Å; F392-F396 WeakPolarHBondContact O-CD2 3.15Å; F392-F396 PolarHBondContact O-N 2.99Å; F392-M428 HydrophobicContact CB-CE 3.52Å; F392-M428 HydrophobicContact CB-SD 3.75Å; F392-M428 HydrophobicContact CD2-CE 4.38Å; F392-M428 HydrophobicContact CG-CE 4.3Å; F392-T470 HydrophobicContact CD1-CG2 3.82Å; F392-T470 HydrophobicContact CD2-CG2 4.24Å; F392-T470 HydrophobicContact CE1-CG2 3.88Å; F392-T470 HydrophobicContact CE2-CG2 4.29Å; F392-T470 HydrophobicContact CG-CG2 4.01Å; F392-T470 HydrophobicContact CZ-CG2 4.12Å; F392-T474 HydrophobicContact CD2-CG2 4.02Å; F392-T474 WeakPolarHBondContact CD2-OG1 3.29Å; F392-T474 HydrophobicContact CE2-CG2 4.33Å; F392-T474 WeakPolarHBondContact CE2-OG1 3.29Å
393I94Very high90.6Very high15 Ų1559.3 Ų59.38%0.07730%0.299CS..Hα-helixtrans-55.4-46.6174.8-74.7160.6000110.8L389 I390 A397 L421 A424 I425 M428L389-I393 HydrophobicContact CD2-CD1 3.47Å; L389-I393 VanDerWaalsContact CD2-CD1 3.47Å; L389-I393 HydrophobicContact CG-CD1 3.76Å; L389-I393 WeakPolarHBondContact O-CB 3.46Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.3Å; L389-I393 PolarHBondContact O-N 3.08Å; I390-I393 PolarHBondContact O-N 3.24Å; I393-A397 WeakPolarHBondContact O-CB 3.46Å; I393-A397 PolarHBondContact O-N 3.42Å; I393-L421 HydrophobicContact CG2-CB 4.29Å; I393-L421 HydrophobicContact CG2-CD2 3.76Å; I393-A424 HydrophobicContact CG2-CB 4.15Å; I393-I425 HydrophobicContact CD1-CG1 3.57Å; I393-I425 HydrophobicContact CG1-CG1 4.06Å; I393-I425 HydrophobicContact CG2-CG1 4.03Å; I393-M428 HydrophobicContact CG1-SD 3.74Å
394V95.3Very high89.9Confident76 Ų7654.3 Ų54.346%0.46127%0.273SS..Hα-helixtrans-65.8-41.2179.7172.80000111.6I390 V391 F392 A398 L421I390-V394 WeakPolarHBondContact O-CG2 3.47Å; I390-V394 PolarHBondContact O-N 2.71Å; I390-V394 VanDerWaalsContact O-N 3.09Å; V391-V394 PolarHBondContact O-N 3.33Å; F392-V394 VanDerWaalsContact C-N 3.31Å; F392-V394 PolarHBondContact O-N 3.23Å; V394-A398 WeakPolarHBondContact O-CB 3.05Å; V394-A398 PolarHBondContact O-N 2.87Å; V394-L421 HydrophobicContact CG2-CD2 3.98Å
395I94.8Very high89.4Confident81 Ų8157.9 Ų57.942%0.41528%0.28SS..Hα-helixtrans-63.4-51.6177.4-68.7166.2000110.9V391 F392 A398 L399V391-I395 HydrophobicContact CG1-CD1 3.83Å; V391-I395 WeakPolarHBondContact O-CG1 3.34Å; V391-I395 PolarHBondContact O-N 3.44Å; V391-I395 VanDerWaalsContact O-N 3.12Å; F392-I395 PolarHBondContact O-N 3.45Å; I395-A398 PolarHBondContact O-N 3.34Å; I395-L399 HydrophobicContact CG2-CD1 3.89Å; I395-L399 HydrophobicContact CG2-CG 4.44Å; I395-L399 WeakPolarHBondContact O-CG 3.48Å; I395-L399 PolarHBondContact O-N 3.48Å
396F92.8Very high88.6Confident15 Ų1563.8 Ų63.87%0.06631%0.305CS..Hα-helixtrans-68.8-35.5-178.5-72.5-63.6000112.7F392 L399 M400 W423 A424 M428 V463 M466 C467 T470F392-F396 HydrophobicContact CB-CD2 4.24Å; F392-F396 HydrophobicContact CB-CE2 4.24Å; F392-F396 HydrophobicContact CD1-CE2 4.27Å; F392-F396 WeakPolarHBondContact O-CD2 3.15Å; F392-F396 PolarHBondContact O-N 2.99Å; F396-L399 HydrophobicContact CD1-CD1 4.22Å; F396-L399 PolarHBondContact O-N 3.1Å; F396-M400 VanDerWaalsContact O-CB 3.23Å; F396-M400 WeakPolarHBondContact O-CB 3.45Å; F396-M400 PolarHBondContact O-N 3.21Å; F396-W423 HydrophobicContact CB-CZ3 4.45Å; F396-A424 HydrophobicContact CB-CB 4.39Å; F396-M428 HydrophobicContact CD2-SD 4.21Å; F396-V463 HydrophobicContact CD1-CG1 4.28Å; F396-M466 HydrophobicContact CE1-CB 4.03Å; F396-C467 HydrophobicContact CB-CB 4.16Å; F396-C467 HydrophobicContact CD1-CB 3.69Å; F396-C467 HydrophobicContact CD2-CB 4.17Å; F396-C467 HydrophobicContact CE1-CB 4.1Å; F396-C467 HydrophobicContact CG-CB 3.74Å; F396-T470 HydrophobicContact CE2-CG2 3.76Å; F396-T470 HydrophobicContact CZ-CG2 4.09Å
397A92.2Very high87.4Confident0 Ų062.9 Ų62.90%030%0.297CS..Hα-helixtrans-61.5-42.6172.500000112.5I393 Y401 I417 G420 L421 A424I393-A397 WeakPolarHBondContact O-CB 3.46Å; I393-A397 PolarHBondContact O-N 3.42Å; A397-Y401 VanDerWaalsContact O-CB 3.29Å; A397-Y401 WeakPolarHBondContact O-CB 3.48Å; A397-Y401 PolarHBondContact O-N 2.72Å; A397-I417 HydrophobicContact CB-CG2 4.37Å; A397-G420 WeakPolarHBondContact CB-O 3.19Å; A397-L421 HydrophobicContact CB-CD2 3.62Å; A397-L421 HydrophobicContact CB-CG 4.16Å; A397-A424 HydrophobicContact CB-CB 4.28Å
398A92.2Very high85.8Confident28 Ų2867.7 Ų67.723%0.23131%0.313CS..Hα-helixtrans-67-45.617600000111.8V394 I395 M400 Y401 Y402V394-A398 WeakPolarHBondContact O-CB 3.05Å; V394-A398 PolarHBondContact O-N 2.87Å; I395-A398 PolarHBondContact O-N 3.34Å; A398-M400 VanDerWaalsContact C-N 3.32Å; A398-M400 PolarHBondContact O-N 3.32Å; A398-Y401 PolarHBondContact O-N 3.29Å; A398-Y402 WeakPolarHBondContact O-CD2 3.22Å; A398-Y402 PolarHBondContact O-N 3.01Å
399L90.5Very high84.5Confident85 Ų8564.7 Ų64.745%0.44530%0.301SS..Hα-helixtrans-59.5-42.3175.7-72.9172.8000111.8I395 F396 Y402 A403 V463I395-L399 HydrophobicContact CG2-CD1 3.89Å; I395-L399 HydrophobicContact CG2-CG 4.44Å; I395-L399 WeakPolarHBondContact O-CG 3.48Å; I395-L399 PolarHBondContact O-N 3.48Å; F396-L399 HydrophobicContact CD1-CD1 4.22Å; F396-L399 PolarHBondContact O-N 3.1Å; L399-Y402 PolarHBondContact O-N 2.72Å; L399-A403 WeakPolarHBondContact O-CB 3.41Å; L399-A403 PolarHBondContact O-N 3.29Å; L399-V463 HydrophobicContact CB-CG1 3.8Å; L399-V463 HydrophobicContact CB-CG2 4.16Å
400M87.9Confident83.2Confident0 Ų068.3 Ų68.30%033%0.327CS..Hα-helixtrans-66.9-45.5179.2-165.168.7-138.900111.7F396 A398 Y402 A403 E404 F414 W423 V463F396-M400 VanDerWaalsContact O-CB 3.23Å; F396-M400 WeakPolarHBondContact O-CB 3.45Å; F396-M400 PolarHBondContact O-N 3.21Å; A398-M400 VanDerWaalsContact C-N 3.32Å; A398-M400 PolarHBondContact O-N 3.32Å; M400-Y402 VanDerWaalsContact C-N 3.34Å; M400-Y402 PolarHBondContact O-N 2.87Å; M400-A403 PolarHBondContact O-N 3.36Å; M400-A403 VanDerWaalsContact O-N 3.15Å; M400-E404 HydrophobicContact CE-CG 3.68Å; M400-E404 WeakPolarHBondContact CE-OE1 3.22Å; M400-E404 PolarHBondContact O-N 3.22Å; M400-F414 HydrophobicContact CE-CE2 4.48Å; M400-F414 HydrophobicContact CG-CD1 4.04Å; M400-F414 HydrophobicContact CG-CE1 3.71Å; M400-F414 HydrophobicContact CG-CZ 4.02Å; M400-W423 HydrophobicContact CB-CE3 3.9Å; M400-W423 HydrophobicContact CB-CH2 4.13Å; M400-W423 HydrophobicContact CB-CZ3 3.56Å; M400-W423 HydrophobicContact CG-CD2 4.11Å; M400-W423 HydrophobicContact CG-CE3 3.74Å; M400-W423 HydrophobicContact CG-CH2 3.87Å; M400-W423 HydrophobicContact CG-CZ2 4.22Å; M400-W423 HydrophobicContact CG-CZ3 3.63Å; M400-W423 HydrophobicContact SD-CE3 4.45Å; M400-W423 HydrophobicContact SD-CH2 3.51Å; M400-W423 VanDerWaalsContact SD-CH2 3.51Å; M400-W423 HydrophobicContact SD-CZ2 3.69Å; M400-W423 HydrophobicContact SD-CZ3 3.92Å; M400-V463 HydrophobicContact CB-CG1 4.25Å; M400-V463 HydrophobicContact SD-CB 4.3Å; M400-V463 HydrophobicContact SD-CG1 4.1Å
401Y86.6Confident81.9Confident37 Ų3770.1 Ų70.115%0.14533%0.333CS..Hα-helixtrans-56.3-45.7174.9175.4-103000112.2A397 A398 R405 F414 I417A397-Y401 VanDerWaalsContact O-CB 3.29Å; A397-Y401 WeakPolarHBondContact O-CB 3.48Å; A397-Y401 PolarHBondContact O-N 2.72Å; A398-Y401 PolarHBondContact O-N 3.29Å; Y401-R405 WeakPolarHBondContact O-CB 3.43Å; Y401-R405 PolarHBondContact O-N 3.46Å; Y401-R405 VanDerWaalsContact O-N 3.13Å; Y401-R405 PolarHBondContact OH-NH1 3.32Å; Y401-F414 VanDerWaalsContact CD2-O 3.3Å; Y401-F414 WeakPolarHBondContact CD2-O 3.49Å; Y401-F414 WeakPolarHBondContact CE2-O 3.48Å; Y401-I417 HydrophobicContact CD1-CD1 4.42Å; Y401-I417 HydrophobicContact CD1-CG1 3.9Å; Y401-I417 HydrophobicContact CD2-CG1 4.41Å; Y401-I417 HydrophobicContact CE1-CG1 4.38Å; Y401-I417 HydrophobicContact CG-CG1 3.91Å
402Y86.6Confident80.6Confident130 Ų13070.1 Ų70.151%0.5133%0.331SS..Hα-helixtrans-70.1-38174.8-73.2-61.2000112.6A398 L399 M400 R405 F406A398-Y402 WeakPolarHBondContact O-CD2 3.22Å; A398-Y402 PolarHBondContact O-N 3.01Å; L399-Y402 PolarHBondContact O-N 2.72Å; M400-Y402 VanDerWaalsContact C-N 3.34Å; M400-Y402 PolarHBondContact O-N 2.87Å; Y402-R405 PolarHBondContact O-N 3.04Å; Y402-F406 WeakPolarHBondContact O-CD2 3.25Å; Y402-F406 PolarHBondContact O-N 2.95Å
403A83.2Confident79.6Confident6 Ų669.9 Ų69.95%0.0533%0.333CS..Hα-helixtrans-61.9-48-179.500000112.6L399 M400 F406 K459 V463L399-A403 WeakPolarHBondContact O-CB 3.41Å; L399-A403 PolarHBondContact O-N 3.29Å; M400-A403 PolarHBondContact O-N 3.36Å; M400-A403 VanDerWaalsContact O-N 3.15Å; A403-F406 PolarHBondContact O-N 3.33Å; A403-K459 HydrophobicContact CB-CB 3.91Å; A403-V463 HydrophobicContact CB-CG2 4.29Å
404E76.5Confident78.7Confident1 Ų169.3 Ų69.31%0.00533%0.33CS..Hα-helixtrans-65.5-41.5172.6-68.1-62.113800111.2M400 F406 Q407 F414 S438M400-E404 HydrophobicContact CE-CG 3.68Å; M400-E404 WeakPolarHBondContact CE-OE1 3.22Å; M400-E404 PolarHBondContact O-N 3.22Å; E404-F406 PolarHBondContact O-N 3.42Å; E404-F406 VanDerWaalsContact O-N 3.13Å; E404-Q407 CarbonylContact O-C 3.59Å; E404-Q407 WeakPolarHBondContact O-CA 3.47Å; E404-Q407 PolarHBondContact O-N 2.99Å; E404-F414 HydrophobicContact CB-CB 4.41Å; E404-F414 HydrophobicContact CG-CB 4.29Å; E404-F414 HydrophobicContact CG-CD2 3.73Å; E404-F414 HydrophobicContact CG-CE2 4.37Å; E404-F414 HydrophobicContact CG-CG 4.17Å; E404-S438 WeakPolarHBondContact OE1-CB 3.16Å; E404-S438 PolarHBondContact OE1-OG 3.24Å
405R76Confident77.8Confident170 Ų17069.5 Ų69.564%0.64234%0.335SS*.Hα-helixtrans-62.8-21.9-179.8-172.3170.2-178.9137.67113.9Y401 Y402 Q407Y401-R405 WeakPolarHBondContact O-CB 3.43Å; Y401-R405 PolarHBondContact O-N 3.46Å; Y401-R405 VanDerWaalsContact O-N 3.13Å; Y401-R405 PolarHBondContact OH-NH1 3.32Å; Y402-R405 PolarHBondContact O-N 3.04Å; R405-Q407 VanDerWaalsContact C-N 3.31Å
406F70Confident77.4Confident148 Ų14867.7 Ų67.765%0.64933%0.329SS*.THydrogen-bonded Turntrans-82.1-1.6171-77.3-59.9000114.4Y402 A403 E404 K459Y402-F406 WeakPolarHBondContact O-CD2 3.25Å; Y402-F406 PolarHBondContact O-N 2.95Å; A403-F406 PolarHBondContact O-N 3.33Å; E404-F406 PolarHBondContact O-N 3.42Å; E404-F406 VanDerWaalsContact O-N 3.13Å; F406-K459 HydrophobicContact CB-CD 4.49Å
407Q64.9Low77.2Confident50 Ų5070.1 Ų70.123%0.23434%0.342CS..SBendtrans-122.7123.7179.3-54.5-159.3-108.700109.8E404 R405 N409 S440 N458E404-Q407 CarbonylContact O-C 3.59Å; E404-Q407 WeakPolarHBondContact O-CA 3.47Å; E404-Q407 PolarHBondContact O-N 2.99Å; R405-Q407 VanDerWaalsContact C-N 3.31Å; Q407-N409 PolarHBondContact O-N 2.87Å; Q407-S440 PolarHBondContact NE2-OG 2.99Å; Q407-S440 PolarHBondContact OE1-OG 2.91Å; Q407-S440 VanDerWaalsContact OE1-OG 3.1Å; Q407-N458 PolarHBondContact NE2-OD1 3.33Å
408Y57.3Low77.2Confident226 Ų22674.5 Ų74.589%0.88637%0.37SS*.  trans-73.392.3178.2-174.4-94.5000110.3
409N61.3Low77Confident35 Ų3575.5 Ų75.519%0.18737%0.372CS..  trans-111.5118.2176175.310000109.1Q407 Q411 Y439Q407-N409 PolarHBondContact O-N 2.87Å; N409-Q411 PolarHBondContact ND2-O 3.01Å; N409-Q411 PolarHBondContact O-N 2.96Å; N409-Q411 PolarHBondContact OD1-N 3.35Å; N409-Q411 PolarHBondContact OD1-O 3.03Å; N409-Y439 WeakPolarHBondContact ND2-CB 3.4Å
410P63.9Low76.8Confident113 Ų11371.5 Ų71.573%0.73435%0.351SS*.SBendtrans-71-11177.930.2-35.5000113.8
411Q66.2Low77Confident131 Ų13174 Ų7461%0.61236%0.364SS*.SBendtrans-117.164.9172.6-68-179.5-1500109.4N409N409-Q411 PolarHBondContact ND2-O 3.01Å; N409-Q411 PolarHBondContact O-N 2.96Å; N409-Q411 PolarHBondContact OD1-N 3.35Å; N409-Q411 PolarHBondContact OD1-O 3.03Å
412N67.5Low77.3Confident59 Ų5977.3 Ų77.332%0.31638%0.376SS..  trans-93100.8176.8177.626000111.7F414N412-F414 VanDerWaalsContact C-N 3.3Å; N412-F414 PolarHBondContact O-N 2.99Å; N412-F414 WeakPolarHBondContact OD1-CA 3.33Å; N412-F414 WeakPolarHBondContact OD1-CB 3.37Å; N412-F414 PolarHBondContact OD1-N 3.45Å
413D71.5Confident77.5Confident62 Ų6272 Ų7233%0.33236%0.355SS..  trans-71.3-24.8175.9-66.9-5000112.9S415 Y439D413-S415 PolarHBondContact O-N 3.08Å; D413-Y439 VanDerWaalsContact OD2-CE2 3.24Å; D413-Y439 WeakPolarHBondContact OD2-CE2 3.46Å
414F75.1Confident77.9Confident3 Ų371.8 Ų71.81%0.01335%0.353CS..  trans-80.455.1-178.3-63.9-91.5000112M400 Y401 E404 N412 S416 W423 Q436M400-F414 HydrophobicContact CE-CE2 4.48Å; M400-F414 HydrophobicContact CG-CD1 4.04Å; M400-F414 HydrophobicContact CG-CE1 3.71Å; M400-F414 HydrophobicContact CG-CZ 4.02Å; Y401-F414 VanDerWaalsContact CD2-O 3.3Å; Y401-F414 WeakPolarHBondContact CD2-O 3.49Å; Y401-F414 WeakPolarHBondContact CE2-O 3.48Å; E404-F414 HydrophobicContact CB-CB 4.41Å; E404-F414 HydrophobicContact CG-CB 4.29Å; E404-F414 HydrophobicContact CG-CD2 3.73Å; E404-F414 HydrophobicContact CG-CE2 4.37Å; E404-F414 HydrophobicContact CG-CG 4.17Å; N412-F414 VanDerWaalsContact C-N 3.3Å; N412-F414 PolarHBondContact O-N 2.99Å; N412-F414 WeakPolarHBondContact OD1-CA 3.33Å; N412-F414 WeakPolarHBondContact OD1-CB 3.37Å; N412-F414 PolarHBondContact OD1-N 3.45Å; F414-S416 VanDerWaalsContact C-N 3.31Å; F414-S416 PolarHBondContact O-N 3.39Å; F414-W423 HydrophobicContact CE1-CB 3.66Å; F414-W423 AromaticContact CE1-CD2 3.99Å; F414-W423 HydrophobicContact CE1-CD2 3.99Å; F414-W423 HydrophobicContact CE1-CE3 4.37Å; F414-W423 AromaticContact CE1-CG 3.65Å; F414-W423 HydrophobicContact CE1-CG 3.65Å; F414-W423 HydrophobicContact CZ-CB 4.02Å; F414-W423 AromaticContact CZ-CD1 3.77Å; F414-W423 HydrophobicContact CZ-CD2 4.09Å; F414-W423 AromaticContact CZ-CG 3.66Å; F414-W423 HydrophobicContact CZ-CG 3.66Å; F414-Q436 HydrophobicContact CZ-CB 4.4Å
415S77.7Confident78.7Confident80 Ų8075 Ų7556%0.55937%0.37SS*.  trans-70-23-179.959.50000113.8D413 I419D413-S415 PolarHBondContact O-N 3.08Å; S415-I419 VanDerWaalsContact OG-CD1 3.22Å; S415-I419 WeakPolarHBondContact OG-CD1 3.11Å
416S86.5Confident79.5Confident43 Ų4367.4 Ų67.430%0.30134%0.342SS..SBendtrans-150.7155.7177.368.30000113.2F414 I419 G420F414-S416 VanDerWaalsContact C-N 3.31Å; F414-S416 PolarHBondContact O-N 3.39Å; S416-I419 WeakPolarHBondContact O-CB 3.48Å; S416-I419 PolarHBondContact O-N 3.01Å; S416-I419 VanDerWaalsContact O-N 3.13Å; S416-I419 WeakPolarHBondContact OG-CD1 3.25Å; S416-G420 PolarHBondContact O-N 3.11Å
417I88.1Confident80.5Confident66 Ų6661.6 Ų61.634%0.33832%0.319SS..Hα-helixtrans-57.6-41-178.8-58.4172.8000112.8A397 Y401 I419 G420 L421A397-I417 HydrophobicContact CB-CG2 4.37Å; Y401-I417 HydrophobicContact CD1-CD1 4.42Å; Y401-I417 HydrophobicContact CD1-CG1 3.9Å; Y401-I417 HydrophobicContact CD2-CG1 4.41Å; Y401-I417 HydrophobicContact CE1-CG1 4.38Å; Y401-I417 HydrophobicContact CG-CG1 3.91Å; I417-I419 PolarHBondContact O-N 3.48Å; I417-G420 CarbonylContact O-C 3.56Å; I417-G420 WeakPolarHBondContact O-CA 3.43Å; I417-G420 PolarHBondContact O-N 3.07Å; I417-L421 PolarHBondContact O-N 3.17Å
418P91.1Very high81.8Confident91 Ų9159.2 Ų59.259%0.59131%0.308SS*.Hα-helixtrans-59.4-28.1176.6-27.337.2000115.1L421P418-L421 WeakPolarHBondContact O-CB 3.2Å; P418-L421 PolarHBondContact O-N 3.42Å
419I88.2Confident83.5Confident50 Ų5051 Ų5126%0.25628%0.281SS..Hα-helixtrans-71.6-44.8172.8-61169.1000109S415 S416 I417 L421 W422 W423 Q436S415-I419 VanDerWaalsContact OG-CD1 3.22Å; S415-I419 WeakPolarHBondContact OG-CD1 3.11Å; S416-I419 WeakPolarHBondContact O-CB 3.48Å; S416-I419 PolarHBondContact O-N 3.01Å; S416-I419 VanDerWaalsContact O-N 3.13Å; S416-I419 WeakPolarHBondContact OG-CD1 3.25Å; I417-I419 PolarHBondContact O-N 3.48Å; I419-L421 PolarHBondContact O-N 2.99Å; I419-W422 WeakPolarHBondContact O-CB 3.22Å; I419-W422 PolarHBondContact O-N 3.23Å; I419-W423 PolarHBondContact O-N 2.94Å; I419-Q436 PolarHBondContact O-OE1 3.11Å
420G87.2Confident85Confident1 Ų154 Ų541%0.0130%0.301CS..Hα-helixtrans-58-28.1171.600000114.8A397 S416 I417 A424A397-G420 WeakPolarHBondContact CB-O 3.19Å; S416-G420 PolarHBondContact O-N 3.11Å; I417-G420 CarbonylContact O-C 3.56Å; I417-G420 WeakPolarHBondContact O-CA 3.43Å; I417-G420 PolarHBondContact O-N 3.07Å; G420-A424 VanDerWaalsContact O-CB 3.29Å; G420-A424 WeakPolarHBondContact O-CB 3.4Å; G420-A424 PolarHBondContact O-N 3.23Å
421L92.6Very high86.4Confident53 Ų5352.1 Ų52.128%0.27729%0.287SS..Hα-helixtrans-65-39.3173.6-62.4174.7000111.6I393 V394 A397 I417 P418 I419 A424 I425I393-L421 HydrophobicContact CG2-CB 4.29Å; I393-L421 HydrophobicContact CG2-CD2 3.76Å; V394-L421 HydrophobicContact CG2-CD2 3.98Å; A397-L421 HydrophobicContact CB-CD2 3.62Å; A397-L421 HydrophobicContact CB-CG 4.16Å; I417-L421 PolarHBondContact O-N 3.17Å; P418-L421 WeakPolarHBondContact O-CB 3.2Å; P418-L421 PolarHBondContact O-N 3.42Å; I419-L421 PolarHBondContact O-N 2.99Å; L421-A424 PolarHBondContact O-N 3.38Å; L421-I425 WeakPolarHBondContact O-CD1 3.38Å; L421-I425 VanDerWaalsContact O-CG1 3.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.48Å; L421-I425 PolarHBondContact O-N 2.95Å
422W91.7Very high87.5Confident106 Ų10648.5 Ų48.540%0.40229%0.285SS..Hα-helixtrans-64.2-50.7176.9169.6-105.4000111I419 A424 I425 V426 Y433 D435I419-W422 WeakPolarHBondContact O-CB 3.22Å; I419-W422 PolarHBondContact O-N 3.23Å; W422-A424 VanDerWaalsContact C-N 3.31Å; W422-A424 PolarHBondContact O-N 3.24Å; W422-I425 WeakPolarHBondContact O-CB 3.43Å; W422-I425 PolarHBondContact O-N 2.77Å; W422-V426 HydrophobicContact CD2-CG2 4.02Å; W422-V426 HydrophobicContact CE3-CG2 4.31Å; W422-V426 HydrophobicContact CH2-CG2 4.11Å; W422-V426 HydrophobicContact CZ2-CG2 3.78Å; W422-V426 HydrophobicContact CZ3-CG2 4.35Å; W422-V426 WeakPolarHBondContact O-CG2 3.26Å; W422-V426 PolarHBondContact O-N 3.14Å; W422-Y433 HydrophobicContact CH2-CD2 4.38Å; W422-Y433 AromaticContact CH2-CE2 3.93Å; W422-Y433 HydrophobicContact CH2-CE2 3.93Å; W422-Y433 AromaticContact CZ2-CD2 3.84Å; W422-Y433 HydrophobicContact CZ2-CD2 3.84Å; W422-Y433 AromaticContact CZ2-CE2 3.85Å; W422-Y433 HydrophobicContact CZ2-CE2 3.85Å; W422-D435 PolarHBondContact NE1-OD2 3.04Å
423W91.3Very high88.5Confident19 Ų1953.1 Ų53.17%0.07230%0.299CS..Hα-helixtrans-54.1-45.8172.8170.582.1000112.6F396 M400 F414 I419 I425 V426 T427 Q436 V463 C467F396-W423 HydrophobicContact CB-CZ3 4.45Å; M400-W423 HydrophobicContact CB-CE3 3.9Å; M400-W423 HydrophobicContact CB-CH2 4.13Å; M400-W423 HydrophobicContact CB-CZ3 3.56Å; M400-W423 HydrophobicContact CG-CD2 4.11Å; M400-W423 HydrophobicContact CG-CE3 3.74Å; M400-W423 HydrophobicContact CG-CH2 3.87Å; M400-W423 HydrophobicContact CG-CZ2 4.22Å; M400-W423 HydrophobicContact CG-CZ3 3.63Å; M400-W423 HydrophobicContact SD-CE3 4.45Å; M400-W423 HydrophobicContact SD-CH2 3.51Å; M400-W423 VanDerWaalsContact SD-CH2 3.51Å; M400-W423 HydrophobicContact SD-CZ2 3.69Å; M400-W423 HydrophobicContact SD-CZ3 3.92Å; F414-W423 HydrophobicContact CE1-CB 3.66Å; F414-W423 AromaticContact CE1-CD2 3.99Å; F414-W423 HydrophobicContact CE1-CD2 3.99Å; F414-W423 HydrophobicContact CE1-CE3 4.37Å; F414-W423 AromaticContact CE1-CG 3.65Å; F414-W423 HydrophobicContact CE1-CG 3.65Å; F414-W423 HydrophobicContact CZ-CB 4.02Å; F414-W423 AromaticContact CZ-CD1 3.77Å; F414-W423 HydrophobicContact CZ-CD2 4.09Å; F414-W423 AromaticContact CZ-CG 3.66Å; F414-W423 HydrophobicContact CZ-CG 3.66Å; I419-W423 PolarHBondContact O-N 2.94Å; W423-I425 PolarHBondContact O-N 3Å; W423-V426 PolarHBondContact O-N 3.03Å; W423-T427 HydrophobicContact CZ2-CG2 4.34Å; W423-T427 PolarHBondContact NE1-OG1 3.44Å; W423-T427 VanDerWaalsContact O-CB 3.31Å; W423-T427 WeakPolarHBondContact O-CB 3.42Å; W423-T427 PolarHBondContact O-N 2.84Å; W423-T427 PolarHBondContact O-OG1 3.16Å; W423-Q436 HydrophobicContact CB-CB 4.44Å; W423-V463 HydrophobicContact CH2-CG1 4.31Å; W423-C467 HydrophobicContact CH2-CB 4.03Å
424A91.9Very high89Confident0 Ų052 Ų520%030%0.301CS..Hα-helixtrans-65.1-38.4179.900000112.3I393 F396 A397 G420 L421 W422 M428I393-A424 HydrophobicContact CG2-CB 4.15Å; F396-A424 HydrophobicContact CB-CB 4.39Å; A397-A424 HydrophobicContact CB-CB 4.28Å; G420-A424 VanDerWaalsContact O-CB 3.29Å; G420-A424 WeakPolarHBondContact O-CB 3.4Å; G420-A424 PolarHBondContact O-N 3.23Å; L421-A424 PolarHBondContact O-N 3.38Å; W422-A424 VanDerWaalsContact C-N 3.31Å; W422-A424 PolarHBondContact O-N 3.24Å; A424-M428 VanDerWaalsContact O-CB 3.28Å; A424-M428 WeakPolarHBondContact O-CB 3.32Å; A424-M428 WeakPolarHBondContact O-CG 3.3Å; A424-M428 PolarHBondContact O-N 2.86Å
425I92.9Very high89.3Confident70 Ų7055.4 Ų55.436%0.35932%0.32SS..Hα-helixtrans-60.4-51171.7-71.2158.8000110.5I393 L421 W422 W423 T427 T429I393-I425 HydrophobicContact CD1-CG1 3.57Å; I393-I425 HydrophobicContact CG1-CG1 4.06Å; I393-I425 HydrophobicContact CG2-CG1 4.03Å; L421-I425 WeakPolarHBondContact O-CD1 3.38Å; L421-I425 VanDerWaalsContact O-CG1 3.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.48Å; L421-I425 PolarHBondContact O-N 2.95Å; W422-I425 WeakPolarHBondContact O-CB 3.43Å; W422-I425 PolarHBondContact O-N 2.77Å; W423-I425 PolarHBondContact O-N 3Å; I425-T427 VanDerWaalsContact C-N 3.3Å; I425-T427 PolarHBondContact O-N 3.48Å; I425-T429 WeakPolarHBondContact O-CB 3.44Å; I425-T429 WeakPolarHBondContact O-CG2 3.26Å; I425-T429 PolarHBondContact O-N 3.4Å; I425-T429 PolarHBondContact O-OG1 3.1Å
426V92.5Very high88.9Confident9 Ų953.3 Ų53.36%0.05530%0.301CS..Hα-helixtrans-66.1-32.4-176.3172.20000112W422 W423 V431 G432 Y433W422-V426 HydrophobicContact CD2-CG2 4.02Å; W422-V426 HydrophobicContact CE3-CG2 4.31Å; W422-V426 HydrophobicContact CH2-CG2 4.11Å; W422-V426 HydrophobicContact CZ2-CG2 3.78Å; W422-V426 HydrophobicContact CZ3-CG2 4.35Å; W422-V426 WeakPolarHBondContact O-CG2 3.26Å; W422-V426 PolarHBondContact O-N 3.14Å; W423-V426 PolarHBondContact O-N 3.03Å; V426-V431 HydrophobicContact CG1-CB 4.36Å; V426-V431 PolarHBondContact O-N 3.32Å; V426-G432 PolarHBondContact O-N 2.82Å; V426-G432 VanDerWaalsContact O-N 3.14Å; V426-Y433 HydrophobicContact CB-CD2 4.49Å; V426-Y433 HydrophobicContact CG1-CD2 3.79Å; V426-Y433 HydrophobicContact CG1-CG 4.29Å; V426-Y433 HydrophobicContact CG2-CD2 3.77Å; V426-Y433 HydrophobicContact CG2-CE2 4.1Å
427T91.8Very high87.7Confident26 Ų2654.7 Ų54.716%0.1631%0.305CS..Hα-helixtrans-77.5-49.7176.5-56.90000111.7W423 I425 T429 T430 C467 A468W423-T427 HydrophobicContact CZ2-CG2 4.34Å; W423-T427 PolarHBondContact NE1-OG1 3.44Å; W423-T427 VanDerWaalsContact O-CB 3.31Å; W423-T427 WeakPolarHBondContact O-CB 3.42Å; W423-T427 PolarHBondContact O-N 2.84Å; W423-T427 PolarHBondContact O-OG1 3.16Å; I425-T427 VanDerWaalsContact C-N 3.3Å; I425-T427 PolarHBondContact O-N 3.48Å; T427-T429 VanDerWaalsContact C-N 3.29Å; T427-T429 PolarHBondContact O-N 3.13Å; T427-T430 PolarHBondContact O-N 3.48Å; T427-C467 HydrophobicContact CG2-CB 4.07Å; T427-A468 HydrophobicContact CG2-CB 4.23Å
428M91.7Very high86.1Confident1 Ų152.6 Ų52.61%0.00530%0.296CS..Hα-helixtrans-64.8-31.6-179.9-76.6-171.868.300113.2F392 I393 F396 A424 T430 G471 T474 I475F392-M428 HydrophobicContact CB-CE 3.52Å; F392-M428 HydrophobicContact CB-SD 3.75Å; F392-M428 HydrophobicContact CD2-CE 4.38Å; F392-M428 HydrophobicContact CG-CE 4.3Å; I393-M428 HydrophobicContact CG1-SD 3.74Å; F396-M428 HydrophobicContact CD2-SD 4.21Å; A424-M428 VanDerWaalsContact O-CB 3.28Å; A424-M428 WeakPolarHBondContact O-CB 3.32Å; A424-M428 WeakPolarHBondContact O-CG 3.3Å; A424-M428 PolarHBondContact O-N 2.86Å; M428-T430 VanDerWaalsContact C-N 3.25Å; M428-G471 CarbonylContact O-C 3.5Å; M428-G471 WeakPolarHBondContact O-CA 3.24Å; M428-T474 HydrophobicContact CE-CG2 4.44Å; M428-I475 WeakPolarHBondContact O-CD1 3.33Å
429T92.4Very high84.4Confident52 Ų5251.2 Ų51.232%0.31928%0.279SS..THydrogen-bonded Turntrans-83.32.4174.557.60000113.5I425 T427 V431 I475I425-T429 WeakPolarHBondContact O-CB 3.44Å; I425-T429 WeakPolarHBondContact O-CG2 3.26Å; I425-T429 PolarHBondContact O-N 3.4Å; I425-T429 PolarHBondContact O-OG1 3.1Å; T427-T429 VanDerWaalsContact C-N 3.29Å; T427-T429 PolarHBondContact O-N 3.13Å; T429-V431 PolarHBondContact O-N 2.55Å; T429-V431 VanDerWaalsContact O-N 3.14Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.45Å; T429-I475 HydrophobicContact CG2-CD1 4.37Å
430T93.6Very high82.5Confident100 Ų10049.4 Ų49.461%0.61327%0.271SS*.THydrogen-bonded Turntrans57.618.7-178640000115.4T427 M428 V472T427-T430 PolarHBondContact O-N 3.48Å; M428-T430 VanDerWaalsContact C-N 3.25Å; T430-V472 HydrophobicContact CG2-CG2 3.58Å
431V93.6Very high80.5Confident73 Ų7350.3 Ų50.344%0.44228%0.281SS..  trans-74.3-37.6-179.6174.40000111.6V426 T429 Y433V426-V431 HydrophobicContact CG1-CB 4.36Å; V426-V431 PolarHBondContact O-N 3.32Å; T429-V431 PolarHBondContact O-N 2.55Å; T429-V431 VanDerWaalsContact O-N 3.14Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.45Å; V431-Y433 HydrophobicContact CG1-CD1 3.97Å; V431-Y433 HydrophobicContact CG1-CD2 4.02Å; V431-Y433 HydrophobicContact CG1-CE1 3.63Å; V431-Y433 HydrophobicContact CG1-CE2 3.68Å; V431-Y433 HydrophobicContact CG1-CG 4.15Å; V431-Y433 VanDerWaalsContact CG1-CZ 3.47Å; V431-Y433 PolarHBondContact O-N 2.82Å
432G87.5Confident78.2Confident54 Ų5450.5 Ų50.556%0.55728%0.284SS*.  trans55.844.9165.300000116.5V426 G434V426-G432 PolarHBondContact O-N 2.82Å; V426-G432 VanDerWaalsContact O-N 3.14Å; G432-G434 PolarHBondContact O-N 2.89Å
433Y88.6Confident75.8Confident157 Ų15749.1 Ų49.162%0.61630%0.295SS*.  trans-53.8-27.6-176.5-70.6-56000115.3W422 V426 V431 D435W422-Y433 HydrophobicContact CH2-CD2 4.38Å; W422-Y433 AromaticContact CH2-CE2 3.93Å; W422-Y433 HydrophobicContact CH2-CE2 3.93Å; W422-Y433 AromaticContact CZ2-CD2 3.84Å; W422-Y433 HydrophobicContact CZ2-CD2 3.84Å; W422-Y433 AromaticContact CZ2-CE2 3.85Å; W422-Y433 HydrophobicContact CZ2-CE2 3.85Å; V426-Y433 HydrophobicContact CB-CD2 4.49Å; V426-Y433 HydrophobicContact CG1-CD2 3.79Å; V426-Y433 HydrophobicContact CG1-CG 4.29Å; V426-Y433 HydrophobicContact CG2-CD2 3.77Å; V426-Y433 HydrophobicContact CG2-CE2 4.1Å; V431-Y433 HydrophobicContact CG1-CD1 3.97Å; V431-Y433 HydrophobicContact CG1-CD2 4.02Å; V431-Y433 HydrophobicContact CG1-CE1 3.63Å; V431-Y433 HydrophobicContact CG1-CE2 3.68Å; V431-Y433 HydrophobicContact CG1-CG 4.15Å; V431-Y433 VanDerWaalsContact CG1-CZ 3.47Å; V431-Y433 PolarHBondContact O-N 2.82Å; Y433-D435 WeakPolarHBondContact CB-OD1 3.32Å; Y433-D435 PolarHBondContact O-N 3Å
434G82.3Confident73.7Confident37 Ų3750.9 Ų50.938%0.38131%0.305SS..SBendtrans7412.9-178.800000114.5G432G432-G434 PolarHBondContact O-N 2.89Å
435D81.3Confident71.4Confident76 Ų7656 Ų5641%0.40634%0.337SS..SBendtrans-73.8-31.9173.565.1-44000112.5W422 Y433W422-D435 PolarHBondContact NE1-OD2 3.04Å; Y433-D435 WeakPolarHBondContact CB-OD1 3.32Å; Y433-D435 PolarHBondContact O-N 3Å
436Q69.4Low69.1Low36 Ų3661.6 Ų61.617%0.16836%0.362CS..SBendtrans-123.5107.4169.1-70.3171.617.700108.5F414 I419 W423F414-Q436 HydrophobicContact CZ-CB 4.4Å; I419-Q436 PolarHBondContact O-OE1 3.11Å; W423-Q436 HydrophobicContact CB-CB 4.44Å
437L60.9Low66.6Low72 Ų7268.6 Ų68.638%0.37739%0.391SS..  trans-104.3151.1173.4-66.6169.5000109.1Y439 V442L437-Y439 VanDerWaalsContact C-N 3.27Å; L437-Y439 HydrophobicContact CB-CD2 4.24Å; L437-Y439 HydrophobicContact CB-CE2 4.02Å; L437-Y439 WeakPolarHBondContact O-CD2 3.22Å; L437-Y439 PolarHBondContact O-N 3.3Å; L437-V442 HydrophobicContact CB-CG2 4.19Å; L437-V442 HydrophobicContact CD1-CG2 3.7Å
438S56.1Low64.5Low21 Ų2175.7 Ų75.715%0.14742%0.42CS..  trans-64.796.7156.7178.30000106.6E404 S440 G441E404-S438 WeakPolarHBondContact OE1-CB 3.16Å; E404-S438 PolarHBondContact OE1-OG 3.24Å; S438-S440 PolarHBondContact O-N 2.99Å; S438-S440 VanDerWaalsContact O-N 3.1Å; S438-S440 WeakPolarHBondContact OG-CB 3.37Å; S438-G441 PolarHBondContact O-N 3.23Å
439Y55.1Low62.3Low62 Ų6282.5 Ų82.524%0.24346%0.456CS..Hα-helixtrans-65.5-13.4-175.9-85.9-87.1000112.8N409 D413 L437 G441 V442 A443N409-Y439 WeakPolarHBondContact ND2-CB 3.4Å; D413-Y439 VanDerWaalsContact OD2-CE2 3.24Å; D413-Y439 WeakPolarHBondContact OD2-CE2 3.46Å; L437-Y439 VanDerWaalsContact C-N 3.27Å; L437-Y439 HydrophobicContact CB-CD2 4.24Å; L437-Y439 HydrophobicContact CB-CE2 4.02Å; L437-Y439 WeakPolarHBondContact O-CD2 3.22Å; L437-Y439 PolarHBondContact O-N 3.3Å; Y439-G441 PolarHBondContact O-N 3.13Å; Y439-G441 VanDerWaalsContact O-N 3.08Å; Y439-V442 HydrophobicContact CD1-CB 3.72Å; Y439-V442 HydrophobicContact CD1-CG1 4.14Å; Y439-V442 HydrophobicContact CD1-CG2 3.77Å; Y439-V442 HydrophobicContact CE1-CB 4.12Å; Y439-V442 HydrophobicContact CE1-CG1 4.17Å; Y439-V442 HydrophobicContact CE1-CG2 3.9Å; Y439-V442 HydrophobicContact CG-CG2 4.44Å; Y439-V442 PolarHBondContact O-N 2.92Å; Y439-V442 VanDerWaalsContact O-N 3.11Å; Y439-A443 PolarHBondContact O-N 3.26Å
440S47.4Very low59.8Low13 Ų1383.6 Ų83.69%0.09147%0.466CS..Hα-helixtrans-47.9-22.4157.3-125.30000114.6Q407 S438 I444 N458Q407-S440 PolarHBondContact NE2-OG 2.99Å; Q407-S440 PolarHBondContact OE1-OG 2.91Å; Q407-S440 VanDerWaalsContact OE1-OG 3.1Å; S438-S440 PolarHBondContact O-N 2.99Å; S438-S440 VanDerWaalsContact O-N 3.1Å; S438-S440 WeakPolarHBondContact OG-CB 3.37Å; S440-I444 WeakPolarHBondContact O-CD1 3.5Å; S440-N458 PolarHBondContact O-ND2 3.32Å; S440-N458 WeakPolarHBondContact OG-CB 3.11Å; S440-N458 PolarHBondContact OG-ND2 3.19Å
441G45.6Very low57.9Low20 Ų2085.1 Ų85.121%0.20648%0.475CS..Hα-helixtrans-94.2-38.1171.800000114.5S438 Y439 A443 I444S438-G441 PolarHBondContact O-N 3.23Å; Y439-G441 PolarHBondContact O-N 3.13Å; Y439-G441 VanDerWaalsContact O-N 3.08Å; G441-A443 VanDerWaalsContact C-N 3.31Å; G441-A443 PolarHBondContact O-N 2.76Å; G441-I444 WeakPolarHBondContact O-CB 3.5Å; G441-I444 PolarHBondContact O-N 2.7Å; G441-I444 VanDerWaalsContact O-N 3.08Å
442V45Very low55.7Low57 Ų5786.5 Ų86.535%0.34549%0.488SS..Hα-helixtrans-68.3-30.8-176.4-177.60000111.8L437 Y439 I444 T445L437-V442 HydrophobicContact CB-CG2 4.19Å; L437-V442 HydrophobicContact CD1-CG2 3.7Å; Y439-V442 HydrophobicContact CD1-CB 3.72Å; Y439-V442 HydrophobicContact CD1-CG1 4.14Å; Y439-V442 HydrophobicContact CD1-CG2 3.77Å; Y439-V442 HydrophobicContact CE1-CB 4.12Å; Y439-V442 HydrophobicContact CE1-CG1 4.17Å; Y439-V442 HydrophobicContact CE1-CG2 3.9Å; Y439-V442 HydrophobicContact CG-CG2 4.44Å; Y439-V442 PolarHBondContact O-N 2.92Å; Y439-V442 VanDerWaalsContact O-N 3.11Å; V442-I444 PolarHBondContact O-N 2.73Å; V442-T445 PolarHBondContact O-OG1 3.46Å
443A41.5Very low53.6Low77 Ų7786.5 Ų86.564%0.63648%0.48SS*.THydrogen-bonded Turntrans-66.8-12.5173.400000114.3Y439 G441Y439-A443 PolarHBondContact O-N 3.26Å; G441-A443 VanDerWaalsContact C-N 3.31Å; G441-A443 PolarHBondContact O-N 2.76Å
444I45.6Very low51.3Low56 Ų5688.6 Ų88.629%0.28749%0.488SS..THydrogen-bonded Turntrans-90.3-34.2-177.3-58.3178.9000111.6S440 G441 V442 Q446 K447S440-I444 WeakPolarHBondContact O-CD1 3.5Å; G441-I444 WeakPolarHBondContact O-CB 3.5Å; G441-I444 PolarHBondContact O-N 2.7Å; G441-I444 VanDerWaalsContact O-N 3.08Å; V442-I444 PolarHBondContact O-N 2.73Å; I444-Q446 PolarHBondContact O-N 3.18Å; I444-K447 PolarHBondContact O-N 3Å
445T43.6Very low49.4Very low108 Ų10896.5 Ų96.566%0.66351%0.508SS*.THydrogen-bonded Turntrans-68.9-15.1-175.9530000114.2V442V442-T445 PolarHBondContact O-OG1 3.46Å
446Q45.1Very low47.4Very low187 Ų187100.1 Ų100.187%0.87452%0.52SS*.THydrogen-bonded Turntrans-98.38172.6-65.5-160.8-51.200114.3I444I444-Q446 PolarHBondContact O-N 3.18Å
447K41.5Very low46.6Very low156 Ų156103.9 Ų103.968%0.67854%0.539SS*.  trans-149.569.9-179.3-155164.1-169.8169.90113I444 D449I444-K447 PolarHBondContact O-N 3Å; K447-D449 PolarHBondContact O-N 2.99Å
448F46.7Very low46.7Very low175 Ų175101.5 Ų101.577%0.76853%0.526SS*.  trans-89.65.5-168.4-140.7-99.7000114.8S450F448-S450 VanDerWaalsContact C-N 3.3Å; F448-S450 PolarHBondContact O-N 3.42Å; F448-S450 VanDerWaalsContact O-N 3.11Å
449D46.4Very low47.3Very low143 Ų143106 Ų10677%0.76554%0.543SS*.  trans-85.628.3-167.6-45.5-62.1000115.1K447K447-D449 PolarHBondContact O-N 2.99Å
450S39.1Very low48.3Very low76 Ų76103 Ų10353%0.53153%0.532SS..  trans-156.6109.8-178.3-79.80000114.5F448 S452 S453F448-S450 VanDerWaalsContact C-N 3.3Å; F448-S450 PolarHBondContact O-N 3.42Å; F448-S450 VanDerWaalsContact O-N 3.11Å; S450-S452 PolarHBondContact O-N 3.06Å; S450-S453 PolarHBondContact O-N 3.2Å
451V53.7Low49.8Very low131 Ų131106.5 Ų106.579%0.79455%0.548SS*.G310 helixtrans-52.7-28.5176.3-177.20000113S453 Y454V451-S453 PolarHBondContact O-N 3.01Å; V451-Y454 WeakPolarHBondContact O-CB 3.37Å; V451-Y454 PolarHBondContact O-N 3.5Å
452S47.7Very low51.7Low102 Ų102109.2 Ų109.271%0.71356%0.557SS**G310 helixtrans-60.5-23.8178-168.80000114.2S450 Y454S450-S452 PolarHBondContact O-N 3.06Å; S452-Y454 VanDerWaalsContact C-N 3.28Å; S452-Y454 PolarHBondContact O-N 3.22Å
453S43.1Very low53.7Low55 Ų55107.5 Ų107.539%0.38555%0.546SS..G310 helixtrans-68.2-22.3177.6-69.50000114S450 V451 Y455 K456S450-S453 PolarHBondContact O-N 3.2Å; V451-S453 PolarHBondContact O-N 3.01Å; S453-Y455 VanDerWaalsContact C-N 3.28Å; S453-Y455 PolarHBondContact O-N 3.12Å; S453-K456 PolarHBondContact O-N 2.85Å
454Y40.6Very low55.9Low200 Ų200104.7 Ų104.778%0.78453%0.525SS*.G310 helixtrans-61-33.9-173.1-164.7-94.9000113.4V451 S452V451-Y454 WeakPolarHBondContact O-CB 3.37Å; V451-Y454 PolarHBondContact O-N 3.5Å; S452-Y454 VanDerWaalsContact C-N 3.28Å; S452-Y454 PolarHBondContact O-N 3.22Å
455Y41.9Very low58Low204 Ų204104.5 Ų104.580%0.853%0.532SS*.G310 helixtrans-87-10.2177.3-63.2-80.7000113.7S453 M457S453-Y455 VanDerWaalsContact C-N 3.28Å; S453-Y455 PolarHBondContact O-N 3.12Å; Y455-M457 PolarHBondContact O-N 3.12Å
456K40.4Very low60.3Low152 Ų152104.2 Ų104.266%0.66152%0.524SS*.  trans-87.352.9-177.1-158175.5-175.6178.20110.8S453 N458S453-K456 PolarHBondContact O-N 2.85Å; K456-N458 PolarHBondContact O-N 3.24Å
457M52.1Low62.6Low115 Ų11595.3 Ų95.357%0.56748%0.482SS*.  trans-64.8100.3179.9-160153.181.500108.9Y455 M461 I462Y455-M457 PolarHBondContact O-N 3.12Å; M457-M461 HydrophobicContact CG-CB 4.31Å; M457-I462 HydrophobicContact CB-CD1 4.49Å; M457-I462 HydrophobicContact CB-CG1 4.32Å; M457-I462 HydrophobicContact CE-CD1 4.35Å; M457-I462 HydrophobicContact CE-CG1 3.82Å; M457-I462 HydrophobicContact CG-CG1 3.9Å
458N62.7Low65Low22 Ų2289.5 Ų89.512%0.11846%0.464CS..  trans-57.1140.9-173.9-79.3-36000110.2Q407 S440 K456 G460 M461 I462Q407-N458 PolarHBondContact NE2-OD1 3.33Å; S440-N458 PolarHBondContact O-ND2 3.32Å; S440-N458 WeakPolarHBondContact OG-CB 3.11Å; S440-N458 PolarHBondContact OG-ND2 3.19Å; K456-N458 PolarHBondContact O-N 3.24Å; N458-G460 PolarHBondContact O-N 3.23Å; N458-M461 HydrophobicContact CB-CG 4.34Å; N458-M461 HydrophobicContact CB-SD 4.33Å; N458-M461 WeakPolarHBondContact O-CA 3.44Å; N458-M461 WeakPolarHBondContact O-CB 3.39Å; N458-M461 PolarHBondContact O-N 2.81Å; N458-I462 PolarHBondContact O-N 2.86Å
459K69.1Low67.2Low114 Ų11486 Ų8650%0.49645%0.452SS..Hα-helixtrans-55.5-36.8-167.3-69.1-178.3178.4178.80111.9A403 F406 M461 I462 V463A403-K459 HydrophobicContact CB-CB 3.91Å; F406-K459 HydrophobicContact CB-CD 4.49Å; K459-M461 PolarHBondContact O-N 3.17Å; K459-I462 PolarHBondContact O-N 2.8Å; K459-V463 WeakPolarHBondContact O-CG2 3.38Å; K459-V463 PolarHBondContact O-N 3.33Å; K459-V463 VanDerWaalsContact O-N 3.12Å
460G75.1Confident69.5Low1 Ų180.6 Ų80.61%0.0142%0.424CS..Hα-helixtrans-61.3-36.3174.700000114.6N458 V463 G464N458-G460 PolarHBondContact O-N 3.23Å; G460-V463 PolarHBondContact O-N 3.39Å; G460-G464 PolarHBondContact O-N 3Å
461M78.6Confident72Confident85 Ų8577 Ų7742%0.41940%0.399SS..Hα-helixtrans-68.5-38.3177.2-61.8179.570.300111.9M457 N458 K459 G464 A465M457-M461 HydrophobicContact CG-CB 4.31Å; N458-M461 HydrophobicContact CB-CG 4.34Å; N458-M461 HydrophobicContact CB-SD 4.33Å; N458-M461 WeakPolarHBondContact O-CA 3.44Å; N458-M461 WeakPolarHBondContact O-CB 3.39Å; N458-M461 PolarHBondContact O-N 2.81Å; K459-M461 PolarHBondContact O-N 3.17Å; M461-G464 PolarHBondContact O-N 3.42Å; M461-A465 WeakPolarHBondContact O-CB 3.5Å; M461-A465 PolarHBondContact O-N 2.87Å
462I85.5Confident73.9Confident77 Ų7774.3 Ų74.340%0.39538%0.383SS..Hα-helixtrans-64.2-46.5175-46.4-176.6000110M457 N458 K459 G464 A465 M466M457-I462 HydrophobicContact CB-CD1 4.49Å; M457-I462 HydrophobicContact CB-CG1 4.32Å; M457-I462 HydrophobicContact CE-CD1 4.35Å; M457-I462 HydrophobicContact CE-CG1 3.82Å; M457-I462 HydrophobicContact CG-CG1 3.9Å; N458-I462 PolarHBondContact O-N 2.86Å; K459-I462 PolarHBondContact O-N 2.8Å; I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 3.25Å; I462-A465 PolarHBondContact O-N 3.36Å; I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.34Å
463V88.5Confident76Confident21 Ų2175 Ų7513%0.12738%0.376CS..Hα-helixtrans-62.2-41.1176.8173.80000111.2F396 L399 M400 A403 W423 K459 G460 M466 C467F396-V463 HydrophobicContact CD1-CG1 4.28Å; L399-V463 HydrophobicContact CB-CG1 3.8Å; L399-V463 HydrophobicContact CB-CG2 4.16Å; M400-V463 HydrophobicContact CB-CG1 4.25Å; M400-V463 HydrophobicContact SD-CB 4.3Å; M400-V463 HydrophobicContact SD-CG1 4.1Å; A403-V463 HydrophobicContact CB-CG2 4.29Å; W423-V463 HydrophobicContact CH2-CG1 4.31Å; K459-V463 WeakPolarHBondContact O-CG2 3.38Å; K459-V463 PolarHBondContact O-N 3.33Å; K459-V463 VanDerWaalsContact O-N 3.12Å; G460-V463 PolarHBondContact O-N 3.39Å; V463-M466 PolarHBondContact O-N 3.15Å; V463-C467 WeakPolarHBondContact O-CB 3.42Å; V463-C467 PolarHBondContact O-N 3.22Å
464G88Confident78.3Confident18 Ų1873 Ų7319%0.18636%0.361CS..Hα-helixtrans-62.9-44.7175.700000113.7G460 M461 I462 C467 A468G460-G464 PolarHBondContact O-N 3Å; M461-G464 PolarHBondContact O-N 3.42Å; I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 3.25Å; G464-C467 WeakPolarHBondContact O-CB 3.24Å; G464-C467 PolarHBondContact O-N 3.02Å; G464-A468 PolarHBondContact O-N 3.02Å
465A88.8Confident80.7Confident53 Ų5365.9 Ų65.944%0.43834%0.337SS..Hα-helixtrans-62.5-45.6176.300000111.9M461 I462 A468 I469M461-A465 WeakPolarHBondContact O-CB 3.5Å; M461-A465 PolarHBondContact O-N 2.87Å; I462-A465 PolarHBondContact O-N 3.36Å; A465-A468 PolarHBondContact O-N 3.05Å; A465-I469 WeakPolarHBondContact O-CG1 3.26Å; A465-I469 PolarHBondContact O-N 2.89Å; A465-I469 VanDerWaalsContact O-N 3.1Å
466M91.5Very high83Confident101 Ų10158.8 Ų58.850%0.49832%0.317SS..Hα-helixtrans-62.9-42.9174.8-68.8-60.2-61.800112F396 I462 V463 A468 I469 T470F396-M466 HydrophobicContact CE1-CB 4.03Å; I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.34Å; V463-M466 PolarHBondContact O-N 3.15Å; M466-A468 PolarHBondContact O-N 2.91Å; M466-I469 PolarHBondContact O-N 3.34Å; M466-T470 WeakPolarHBondContact O-CB 3.36Å; M466-T470 PolarHBondContact O-N 3.3Å; M466-T470 PolarHBondContact O-OG1 3.16Å; M466-T470 VanDerWaalsContact O-OG1 3.11Å
467C93Very high85.2Confident0 Ų058 Ų580%032%0.319CS..Hα-helixtrans-58.6-44.8177.1-176.40000112F396 W423 T427 V463 G464 G471F396-C467 HydrophobicContact CB-CB 4.16Å; F396-C467 HydrophobicContact CD1-CB 3.69Å; F396-C467 HydrophobicContact CD2-CB 4.17Å; F396-C467 HydrophobicContact CE1-CB 4.1Å; F396-C467 HydrophobicContact CG-CB 3.74Å; W423-C467 HydrophobicContact CH2-CB 4.03Å; T427-C467 HydrophobicContact CG2-CB 4.07Å; V463-C467 WeakPolarHBondContact O-CB 3.42Å; V463-C467 PolarHBondContact O-N 3.22Å; G464-C467 WeakPolarHBondContact O-CB 3.24Å; G464-C467 PolarHBondContact O-N 3.02Å; C467-G471 PolarHBondContact O-N 3.4Å
468A92.9Very high86.8Confident35 Ų3553.5 Ų53.529%0.28930%0.298SS..Hα-helixtrans-64.7-47.1177.300000112.3T427 G464 A465 M466 G471 V472T427-A468 HydrophobicContact CG2-CB 4.23Å; G464-A468 PolarHBondContact O-N 3.02Å; A465-A468 PolarHBondContact O-N 3.05Å; M466-A468 PolarHBondContact O-N 2.91Å; A468-G471 PolarHBondContact O-N 3.04Å; A468-V472 WeakPolarHBondContact O-CG2 3.42Å; A468-V472 PolarHBondContact O-N 3.3Å
469I93.7Very high88Confident100 Ų10055.6 Ų55.651%0.51331%0.312SS..Hα-helixtrans-62.6-48.9178.9-65.9165.9000110.7A465 M466 G471 V472 M473A465-I469 WeakPolarHBondContact O-CG1 3.26Å; A465-I469 PolarHBondContact O-N 2.89Å; A465-I469 VanDerWaalsContact O-N 3.1Å; M466-I469 PolarHBondContact O-N 3.34Å; I469-G471 VanDerWaalsContact C-N 3.31Å; I469-G471 PolarHBondContact O-N 3.32Å; I469-V472 PolarHBondContact O-N 3.43Å; I469-M473 VanDerWaalsContact O-CG 3.31Å; I469-M473 WeakPolarHBondContact O-CG 3.32Å; I469-M473 PolarHBondContact O-N 2.96Å
470T92.7Very high88.9Confident30 Ų3053.9 Ų53.918%0.18431%0.312CS..Hα-helixtrans-65.3-33.6177.5-58.10000111.9F392 F396 M466 M473 T474F392-T470 HydrophobicContact CD1-CG2 3.82Å; F392-T470 HydrophobicContact CD2-CG2 4.24Å; F392-T470 HydrophobicContact CE1-CG2 3.88Å; F392-T470 HydrophobicContact CE2-CG2 4.29Å; F392-T470 HydrophobicContact CG-CG2 4.01Å; F392-T470 HydrophobicContact CZ-CG2 4.12Å; F396-T470 HydrophobicContact CE2-CG2 3.76Å; F396-T470 HydrophobicContact CZ-CG2 4.09Å; M466-T470 WeakPolarHBondContact O-CB 3.36Å; M466-T470 PolarHBondContact O-N 3.3Å; M466-T470 PolarHBondContact O-OG1 3.16Å; M466-T470 VanDerWaalsContact O-OG1 3.11Å; T470-M473 PolarHBondContact O-N 3.3Å; T470-T474 VanDerWaalsContact O-CB 3.3Å; T470-T474 WeakPolarHBondContact O-CB 3.42Å; T470-T474 PolarHBondContact O-N 2.86Å; T470-T474 PolarHBondContact O-OG1 2.82Å
471G92.5Very high89.5Confident0 Ų056.7 Ų56.70%033%0.329CS..Hα-helixtrans-59.5-54.5173.300000113M428 C467 A468 I469 M473 T474 I475M428-G471 CarbonylContact O-C 3.5Å; M428-G471 WeakPolarHBondContact O-CA 3.24Å; C467-G471 PolarHBondContact O-N 3.4Å; A468-G471 PolarHBondContact O-N 3.04Å; I469-G471 VanDerWaalsContact C-N 3.31Å; I469-G471 PolarHBondContact O-N 3.32Å; G471-M473 VanDerWaalsContact C-N 3.32Å; G471-M473 PolarHBondContact O-N 2.91Å; G471-T474 PolarHBondContact O-N 2.81Å; G471-T474 VanDerWaalsContact O-N 3.16Å; G471-I475 WeakPolarHBondContact O-CG1 3.43Å; G471-I475 PolarHBondContact O-N 3.18Å
472V93.1Very high89.9Confident76 Ų7654.1 Ų54.146%0.46132%0.317SS..Hα-helixtrans-57.6-44.7176.81740000111.2T430 A468 I469 T474 I475 S476T430-V472 HydrophobicContact CG2-CG2 3.58Å; A468-V472 WeakPolarHBondContact O-CG2 3.42Å; A468-V472 PolarHBondContact O-N 3.3Å; I469-V472 PolarHBondContact O-N 3.43Å; V472-T474 PolarHBondContact O-N 3.1Å; V472-I475 PolarHBondContact O-N 3.11Å; V472-S476 VanDerWaalsContact O-CB 3.31Å; V472-S476 WeakPolarHBondContact O-CB 3.31Å; V472-S476 PolarHBondContact O-N 3.4Å; V472-S476 PolarHBondContact O-OG 2.88Å
473M92.4Very high90.1Very high116 Ų11654.7 Ų54.757%0.57132%0.324SS*.Hα-helixtrans-68.2-31.9178.3-66.3-63.4176.200113.5I469 T470 G471 S476 L477I469-M473 VanDerWaalsContact O-CG 3.31Å; I469-M473 WeakPolarHBondContact O-CG 3.32Å; I469-M473 PolarHBondContact O-N 2.96Å; T470-M473 PolarHBondContact O-N 3.3Å; G471-M473 VanDerWaalsContact C-N 3.32Å; G471-M473 PolarHBondContact O-N 2.91Å; M473-S476 PolarHBondContact O-OG 2.9Å; M473-L477 WeakPolarHBondContact O-CG 3.38Å
474T90.5Very high90.1Very high12 Ų1256.8 Ų56.87%0.07434%0.339CS..Hα-helixtrans-71.5-37.6176.6-58.30000111.4F388 L389 F392 M428 T470 G471 V472 P478F388-T474 HydrophobicContact CB-CG2 4.26Å; L389-T474 HydrophobicContact CB-CG2 4.47Å; F392-T474 HydrophobicContact CD2-CG2 4.02Å; F392-T474 WeakPolarHBondContact CD2-OG1 3.29Å; F392-T474 HydrophobicContact CE2-CG2 4.33Å; F392-T474 WeakPolarHBondContact CE2-OG1 3.29Å; M428-T474 HydrophobicContact CE-CG2 4.44Å; T470-T474 VanDerWaalsContact O-CB 3.3Å; T470-T474 WeakPolarHBondContact O-CB 3.42Å; T470-T474 PolarHBondContact O-N 2.86Å; T470-T474 PolarHBondContact O-OG1 2.82Å; G471-T474 PolarHBondContact O-N 2.81Å; G471-T474 VanDerWaalsContact O-N 3.16Å; V472-T474 PolarHBondContact O-N 3.1Å; T474-P478 VanDerWaalsContact O-CD 3.26Å; T474-P478 WeakPolarHBondContact O-CD 3.38Å
475I91Very high90Very high52 Ų5257.7 Ų57.727%0.26734%0.34SS..Hα-helixtrans-78.3-33.7-180-65.3171.9000111.3L389 M428 T429 G471 V472 L477 P478 V479L389-I475 HydrophobicContact CD1-CG1 4.34Å; M428-I475 WeakPolarHBondContact O-CD1 3.33Å; T429-I475 HydrophobicContact CG2-CD1 4.37Å; G471-I475 WeakPolarHBondContact O-CG1 3.43Å; G471-I475 PolarHBondContact O-N 3.18Å; V472-I475 PolarHBondContact O-N 3.11Å; I475-L477 VanDerWaalsContact C-N 3.34Å; I475-L477 PolarHBondContact O-N 3.08Å; I475-P478 WeakPolarHBondContact O-CD 3.42Å; I475-V479 HydrophobicContact CG2-CG2 4.07Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.14Å
476S90.2Very high89.9Confident55 Ų5559.1 Ų59.139%0.38534%0.337SS..Hα-helixtrans-69.2-24.8-176.869.10000114.4V472 M473 P480V472-S476 VanDerWaalsContact O-CB 3.31Å; V472-S476 WeakPolarHBondContact O-CB 3.31Å; V472-S476 PolarHBondContact O-N 3.4Å; V472-S476 PolarHBondContact O-OG 2.88Å; M473-S476 PolarHBondContact O-OG 2.9Å; S476-P480 WeakPolarHBondContact O-CD 3.46Å; S476-P480 WeakPolarHBondContact O-CG 3.46Å
477L86.8Confident89.8Confident135 Ų13557.4 Ų57.471%0.70733%0.334SS*.THydrogen-bonded Turntrans-70.4-48.5-179.2-67.2170.5000113.8M473 I475M473-L477 WeakPolarHBondContact O-CG 3.38Å; I475-L477 VanDerWaalsContact C-N 3.34Å; I475-L477 PolarHBondContact O-N 3.08Å
478P85.5Confident89.3Confident20 Ų2061 Ų6113%0.1335%0.348CS..THydrogen-bonded Turntrans-92.3-21.2-172.1-14.936.6000113.9L385 T474 I475 V481 I482L385-P478 HydrophobicContact CB-CB 3.94Å; L385-P478 HydrophobicContact CB-CG 3.82Å; L385-P478 HydrophobicContact CD1-CB 4.48Å; L385-P478 HydrophobicContact CD1-CG 3.83Å; L385-P478 HydrophobicContact CD2-CB 4.36Å; L385-P478 HydrophobicContact CG-CB 4.47Å; L385-P478 HydrophobicContact CG-CG 4.24Å; T474-P478 VanDerWaalsContact O-CD 3.26Å; T474-P478 WeakPolarHBondContact O-CD 3.38Å; I475-P478 WeakPolarHBondContact O-CD 3.42Å; P478-V481 WeakPolarHBondContact O-CB 3.4Å; P478-V481 PolarHBondContact O-N 3.2Å; P478-V481 VanDerWaalsContact O-N 3.11Å; P478-I482 PolarHBondContact O-N 3.36Å; P478-I482 VanDerWaalsContact O-N 3.1Å
479V88.1Confident88.9Confident66 Ų6660 Ų6040%0.434%0.337SS..Hα-helixtrans-57.9-45.1178.7167.60000112.7I475 V481 I482 V483I475-V479 HydrophobicContact CG2-CG2 4.07Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.14Å; V479-V481 PolarHBondContact O-N 3.18Å; V479-I482 PolarHBondContact O-N 3.4Å; V479-V483 HydrophobicContact CG1-CG2 4.21Å; V479-V483 WeakPolarHBondContact O-CB 3.48Å; V479-V483 WeakPolarHBondContact O-CG2 3.24Å; V479-V483 PolarHBondContact O-N 2.9Å
480P89.8Confident88.4Confident78 Ų7861 Ų6151%0.50634%0.335SS..Hα-helixtrans-57.1-33.8174.1-27.736.2000114S476 V483 S484S476-P480 WeakPolarHBondContact O-CD 3.46Å; S476-P480 WeakPolarHBondContact O-CG 3.46Å; P480-V483 PolarHBondContact O-N 3.27Å; P480-S484 WeakPolarHBondContact O-CB 3.45Å; P480-S484 PolarHBondContact O-N 3.05Å; P480-S484 PolarHBondContact O-OG 3.36Å
481V87.1Confident88.1Confident60 Ų6063.5 Ų63.536%0.36435%0.35SS..Hα-helixtrans-73-39.7178.7-170.70000111.2E381 P478 V479 V483 S484 N485E381-V481 HydrophobicContact CG-CG1 4.02Å; P478-V481 WeakPolarHBondContact O-CB 3.4Å; P478-V481 PolarHBondContact O-N 3.2Å; P478-V481 VanDerWaalsContact O-N 3.11Å; V479-V481 PolarHBondContact O-N 3.18Å; V481-V483 VanDerWaalsContact C-N 3.35Å; V481-S484 PolarHBondContact O-OG 3.04Å; V481-S484 VanDerWaalsContact O-OG 3.07Å; V481-N485 WeakPolarHBondContact O-CB 3.28Å; V481-N485 PolarHBondContact O-N 2.91Å; V481-N485 VanDerWaalsContact O-N 3.11Å
482I86.9Confident87.7Confident32 Ų3265.4 Ų65.416%0.16436%0.359CS..Hα-helixtrans-65.5-41173.8-62.9168.8000110.2L382 P478 V479 F486L382-I482 HydrophobicContact CD1-CD1 4.23Å; P478-I482 PolarHBondContact O-N 3.36Å; P478-I482 VanDerWaalsContact O-N 3.1Å; V479-I482 PolarHBondContact O-N 3.4Å; I482-F486 WeakPolarHBondContact O-CB 3.47Å; I482-F486 PolarHBondContact O-N 3.23Å
483V89.8Confident87Confident88 Ų8863.5 Ų63.553%0.53335%0.348SS..Hα-helixtrans-69.3-40.2178.9171.20000112.2V479 P480 V481 F486 S487V479-V483 HydrophobicContact CG1-CG2 4.21Å; V479-V483 WeakPolarHBondContact O-CB 3.48Å; V479-V483 WeakPolarHBondContact O-CG2 3.24Å; V479-V483 PolarHBondContact O-N 2.9Å; P480-V483 PolarHBondContact O-N 3.27Å; V481-V483 VanDerWaalsContact C-N 3.35Å; V483-F486 PolarHBondContact O-N 2.93Å; V483-S487 WeakPolarHBondContact O-CB 3.32Å; V483-S487 PolarHBondContact O-N 3.33Å
484S88.6Confident86.6Confident65 Ų6561.4 Ų61.446%0.45534%0.337SS..Hα-helixtrans-66.6-43.117767.30000111.6P480 V481 S487 R488P480-S484 WeakPolarHBondContact O-CB 3.45Å; P480-S484 PolarHBondContact O-N 3.05Å; P480-S484 PolarHBondContact O-OG 3.36Å; V481-S484 PolarHBondContact O-OG 3.04Å; V481-S484 VanDerWaalsContact O-OG 3.07Å; S484-S487 PolarHBondContact O-N 3.26Å; S484-R488 PolarHBondContact O-N 3.2Å
485N86.1Confident86.2Confident38 Ų3863.1 Ų63.120%0.20335%0.352CS..Hα-helixtrans-60.3-45.6171.8-78.5-10.2000111.8S378 V481 S487 R488 F489S378-N485 WeakPolarHBondContact OG-CB 3.34Å; S378-N485 PolarHBondContact OG-ND2 3.11Å; V481-N485 WeakPolarHBondContact O-CB 3.28Å; V481-N485 PolarHBondContact O-N 2.91Å; V481-N485 VanDerWaalsContact O-N 3.11Å; N485-S487 VanDerWaalsContact C-N 3.35Å; N485-S487 PolarHBondContact O-N 3.33Å; N485-R488 WeakPolarHBondContact O-CB 3.37Å; N485-R488 PolarHBondContact O-N 2.89Å; N485-F489 VanDerWaalsContact O-CD2 3.29Å; N485-F489 WeakPolarHBondContact O-CD2 3.36Å; N485-F489 PolarHBondContact O-N 2.93Å
486F86.3Confident85.4Confident83 Ų8361.5 Ų61.536%0.36434%0.343SS..Hα-helixtrans-60.4-43.6175.6-178-90.7000112.1L371 T374 I482 V483 R488 F489 Y490L371-F486 HydrophobicContact CD1-CD2 4.35Å; L371-F486 HydrophobicContact CD1-CE2 4.02Å; T374-F486 HydrophobicContact CG2-CB 3.96Å; T374-F486 HydrophobicContact CG2-CD2 4.1Å; I482-F486 WeakPolarHBondContact O-CB 3.47Å; I482-F486 PolarHBondContact O-N 3.23Å; V483-F486 PolarHBondContact O-N 2.93Å; F486-R488 VanDerWaalsContact C-N 3.34Å; F486-R488 PolarHBondContact O-N 2.75Å; F486-F489 PolarHBondContact O-N 3.36Å; F486-Y490 VanDerWaalsContact O-CB 3.22Å; F486-Y490 WeakPolarHBondContact O-CB 3.33Å; F486-Y490 PolarHBondContact O-N 3.47Å
487S89.1Confident84.5Confident64 Ų6462.2 Ų62.245%0.44835%0.348SS..Hα-helixtrans-60.8-40.9176.3-171.40000112V483 S484 N485 T491V483-S487 WeakPolarHBondContact O-CB 3.32Å; V483-S487 PolarHBondContact O-N 3.33Å; S484-S487 PolarHBondContact O-N 3.26Å; N485-S487 VanDerWaalsContact C-N 3.35Å; N485-S487 PolarHBondContact O-N 3.33Å; S487-T491 WeakPolarHBondContact O-CB 3.5Å; S487-T491 PolarHBondContact O-N 3.16Å; S487-T491 PolarHBondContact O-OG1 3.43Å
488R83.5Confident84Confident76 Ų7663.3 Ų63.329%0.28735%0.347SS..Hα-helixtrans-58.4-58.4174-171.6178.3-170.1165.58.7111.1E107 S484 N485 F486 Y490 T491 H492E107-R488 IonicContact OE2-CZ 3.61Å; E107-R488 VanDerWaalsContact OE2-CZ 3.24Å; E107-R488 IonicContact OE2-NH1 3.7Å; E107-R488 PolarHBondContact OE2-NH1 3.34Å; E107-R488 IonicContact OE2-NH2 2.72Å; E107-R488 PolarHBondContact OE2-NH2 3.01Å; S484-R488 PolarHBondContact O-N 3.2Å; N485-R488 WeakPolarHBondContact O-CB 3.37Å; N485-R488 PolarHBondContact O-N 2.89Å; F486-R488 VanDerWaalsContact C-N 3.34Å; F486-R488 PolarHBondContact O-N 2.75Å; R488-Y490 PolarHBondContact O-N 3.28Å; R488-T491 PolarHBondContact O-N 2.97Å; R488-H492 PolarHBondContact O-CD2 2.9Å; R488-H492 PolarHBondContact O-N 2.89Å
489F82.8Confident83.3Confident13 Ų1366.2 Ų66.26%0.05736%0.361CS..Hα-helixtrans-59.7-43.2179.8-79.1-73.1000112.6T111 I114 L115 T374 A377 N485 F486 T493T111-F489 HydrophobicContact CG2-CD1 3.88Å; T111-F489 HydrophobicContact CG2-CE1 3.8Å; I114-F489 HydrophobicContact CG2-CE1 4.26Å; L115-F489 HydrophobicContact CD2-CD1 4.37Å; L115-F489 HydrophobicContact CG-CD1 4.4Å; T374-F489 HydrophobicContact CG2-CD2 4.13Å; A377-F489 HydrophobicContact CB-CE2 3.69Å; A377-F489 HydrophobicContact CB-CZ 3.87Å; N485-F489 VanDerWaalsContact O-CD2 3.29Å; N485-F489 WeakPolarHBondContact O-CD2 3.36Å; N485-F489 PolarHBondContact O-N 2.93Å; F486-F489 PolarHBondContact O-N 3.36Å; F489-T493 WeakPolarHBondContact O-CB 3.24Å; F489-T493 PolarHBondContact O-N 3.34Å; F489-T493 PolarHBondContact O-OG1 3.32Å
490Y84.4Confident82.1Confident123 Ų12367.3 Ų67.348%0.48237%0.37SS..Hα-helixtrans-63.2-44.1178.2-178.7-102.5000112.1F486 R488 T493 Q494F486-Y490 VanDerWaalsContact O-CB 3.22Å; F486-Y490 WeakPolarHBondContact O-CB 3.33Å; F486-Y490 PolarHBondContact O-N 3.47Å; R488-Y490 PolarHBondContact O-N 3.28Å; Y490-T493 PolarHBondContact O-N 2.8Å; Y490-Q494 WeakPolarHBondContact O-CB 3.17Å; Y490-Q494 PolarHBondContact O-N 3.44Å
491T86.6Confident80.5Confident81 Ų8169 Ų6950%0.49737%0.369SS..Hα-helixtrans-66.7-43.9-179.9-58.70000111.7S487 R488 T493 Q494 A495S487-T491 WeakPolarHBondContact O-CB 3.5Å; S487-T491 PolarHBondContact O-N 3.16Å; S487-T491 PolarHBondContact O-OG1 3.43Å; R488-T491 PolarHBondContact O-N 2.97Å; T491-T493 PolarHBondContact O-N 2.78Å; T491-Q494 PolarHBondContact O-N 3.24Å; T491-A495 WeakPolarHBondContact O-CB 3.32Å; T491-A495 PolarHBondContact O-N 2.86Å
492H82.7Confident79Confident40 Ų4078 Ų7819%0.18540%0.397CS..Hα-helixtrans-62.8-42174.4-70.9-66.2000111.9L112 L115 R488 Q494 A495 Q496L112-H492 HydrophobicContact CD2-CB 4.31Å; L115-H492 HydrophobicContact CD1-CB 3.42Å; L115-H492 VanDerWaalsContact CD1-CB 3.42Å; R488-H492 PolarHBondContact O-CD2 2.9Å; R488-H492 PolarHBondContact O-N 2.89Å; H492-Q494 VanDerWaalsContact C-N 3.32Å; H492-Q494 PolarHBondContact O-N 3.41Å; H492-A495 PolarHBondContact O-N 3.15Å; H492-Q496 WeakPolarHBondContact O-CG 3.34Å; H492-Q496 PolarHBondContact O-N 2.89Å
493T79.2Confident77.6Confident36 Ų3686.4 Ų86.422%0.22143%0.426CS..Hα-helixtrans-58.9-43.6174.1-51.50000111.4L115 I370 F489 Y490 T491 Q496 S497L115-T493 VanDerWaalsContact CD2-OG1 3.26Å; L115-T493 WeakPolarHBondContact CD2-OG1 3.35Å; I370-T493 HydrophobicContact CD1-CG2 3.81Å; F489-T493 WeakPolarHBondContact O-CB 3.24Å; F489-T493 PolarHBondContact O-N 3.34Å; F489-T493 PolarHBondContact O-OG1 3.32Å; Y490-T493 PolarHBondContact O-N 2.8Å; T491-T493 PolarHBondContact O-N 2.78Å; T493-Q496 PolarHBondContact O-N 3.15Å; T493-S497 WeakPolarHBondContact O-CB 3.23Å; T493-S497 PolarHBondContact O-N 3.39Å
494Q84Confident75.9Confident73 Ų7384.1 Ų84.134%0.34141%0.408SS..Hα-helixtrans-70.4-33.4179.8-158.7-162.5102.600112.4Y490 T491 H492 S497 K498Y490-Q494 WeakPolarHBondContact O-CB 3.17Å; Y490-Q494 PolarHBondContact O-N 3.44Å; T491-Q494 PolarHBondContact O-N 3.24Å; H492-Q494 VanDerWaalsContact C-N 3.32Å; H492-Q494 PolarHBondContact O-N 3.41Å; Q494-S497 PolarHBondContact O-N 3.18Å; Q494-S497 PolarHBondContact O-OG 3.08Å; Q494-K498 WeakPolarHBondContact O-CD 3.48Å; Q494-K498 WeakPolarHBondContact O-CG 3.42Å; Q494-K498 PolarHBondContact O-N 3.06Å
495A82.2Confident74.1Confident48 Ų4888.2 Ų88.240%0.39741%0.413SS..Hα-helixtrans-67.5-45.317300000111.4T491 H492 S497 K498 L499T491-A495 WeakPolarHBondContact O-CB 3.32Å; T491-A495 PolarHBondContact O-N 2.86Å; H492-A495 PolarHBondContact O-N 3.15Å; A495-S497 VanDerWaalsContact C-N 3.34Å; A495-S497 PolarHBondContact O-N 3.21Å; A495-K498 PolarHBondContact O-N 3.17Å; A495-L499 WeakPolarHBondContact O-CG 3.39Å; A495-L499 PolarHBondContact O-N 2.94Å
496Q74.6Confident72.5Confident18 Ų1891.4 Ų91.48%0.08443%0.429CS..Hα-helixtrans-59.5-43.3172.6-75.4176.7-44.400111.6L112 N116 H492 T493 K498 L499 R504L112-Q496 HydrophobicContact CD2-CG 3.94Å; N116-Q496 PolarHBondContact OD1-NE2 3.46Å; N116-Q496 VanDerWaalsContact OD1-NE2 3.09Å; H492-Q496 WeakPolarHBondContact O-CG 3.34Å; H492-Q496 PolarHBondContact O-N 2.89Å; T493-Q496 PolarHBondContact O-N 3.15Å; Q496-K498 VanDerWaalsContact C-N 3.3Å; Q496-K498 PolarHBondContact O-N 3.49Å; Q496-L499 PolarHBondContact O-N 3.48Å; Q496-L499 VanDerWaalsContact O-N 3.09Å; Q496-R504 PolarHBondContact O-NE 3Å; Q496-R504 PolarHBondContact O-NH2 3.18Å
497S70.2Confident70.5Confident70 Ų7093 Ų9349%0.4944%0.441SS..Hα-helixtrans-60.7-39.1-178.581.30000112.5T493 Q494 A495 R504T493-S497 WeakPolarHBondContact O-CB 3.23Å; T493-S497 PolarHBondContact O-N 3.39Å; Q494-S497 PolarHBondContact O-N 3.18Å; Q494-S497 PolarHBondContact O-OG 3.08Å; A495-S497 VanDerWaalsContact C-N 3.34Å; A495-S497 PolarHBondContact O-N 3.21Å; S497-R504 PolarHBondContact O-NH2 2.73Å; S497-R504 VanDerWaalsContact O-NH2 3.12Å
498K76.7Confident68.3Low157 Ų15794.4 Ų94.468%0.68345%0.449SS*.Hα-helixtrans-69.8-26.8174.9-71.8167172.5171.90113.9Q494 A495 Q496Q494-K498 WeakPolarHBondContact O-CD 3.48Å; Q494-K498 WeakPolarHBondContact O-CG 3.42Å; Q494-K498 PolarHBondContact O-N 3.06Å; A495-K498 PolarHBondContact O-N 3.17Å; Q496-K498 VanDerWaalsContact C-N 3.3Å; Q496-K498 PolarHBondContact O-N 3.49Å
499L71Confident66.7Low81 Ų8194.3 Ų94.342%0.42446%0.456SS..SBendtrans-76.6133.9-179.3-77.2166.3000112.2A495 Q496 K501 R504A495-L499 WeakPolarHBondContact O-CG 3.39Å; A495-L499 PolarHBondContact O-N 2.94Å; Q496-L499 PolarHBondContact O-N 3.48Å; Q496-L499 VanDerWaalsContact O-N 3.09Å; L499-K501 PolarHBondContact O-N 3.02Å; L499-R504 HydrophobicContact CB-CG 4.28Å; L499-R504 PolarHBondContact O-NE 3.08Å; L499-R504 VanDerWaalsContact O-NE 3.08Å; L499-R504 PolarHBondContact O-NH2 2.98Å
500P62.9Low65.1Low90 Ų9099.6 Ų99.658%0.58448%0.482SS*.  trans-64.7130.1179.227.1-34.2000110.4R502 R503P500-R502 VanDerWaalsContact C-N 3.27Å; P500-R502 PolarHBondContact O-N 3.02Å; P500-R503 PolarHBondContact O-N 3.09Å
501K56.8Low63.1Low112 Ų11296.9 Ų96.949%0.48748%0.484SS..G310 helixtrans-49.2-39.9-164-62.2-163.7173.6-155.60115L499 R503 R504L499-K501 PolarHBondContact O-N 3.02Å; K501-R503 PolarHBondContact O-N 3.4Å; K501-R503 VanDerWaalsContact O-N 3.1Å; K501-R504 PolarHBondContact O-N 3.26Å; K501-R504 VanDerWaalsContact O-N 3.11Å
502R54.7Low61Low250 Ų25098.5 Ų98.594%0.94349%0.494SS*.G310 helixtrans-57.6-23.4177.5-77.8-174173.2178.3-2.2114.7P500P500-R502 VanDerWaalsContact C-N 3.27Å; P500-R502 PolarHBondContact O-N 3.02Å
503R58Low58.7Low208 Ų208103.7 Ų103.779%0.78551%0.512SS*.G310 helixtrans-103.68.2-179-148.4-178.5-170.3179.14113.7P500 K501P500-R503 PolarHBondContact O-N 3.09Å; K501-R503 PolarHBondContact O-N 3.4Å; K501-R503 VanDerWaalsContact O-N 3.1Å
504R54.6Low56.7Low41 Ų41107.4 Ų107.416%0.15554%0.537CS..THydrogen-bonded Turntrans-84-32.9176.8-65.9-175.8-172.6-170.3-1113.6D119 Q496 S497 L499 K501 I506D119-R504 IonicContact OD2-NH1 3.41Å; D119-R504 PolarHBondContact OD2-NH1 3.08Å; Q496-R504 PolarHBondContact O-NE 3Å; Q496-R504 PolarHBondContact O-NH2 3.18Å; S497-R504 PolarHBondContact O-NH2 2.73Å; S497-R504 VanDerWaalsContact O-NH2 3.12Å; L499-R504 HydrophobicContact CB-CG 4.28Å; L499-R504 PolarHBondContact O-NE 3.08Å; L499-R504 VanDerWaalsContact O-NE 3.08Å; L499-R504 PolarHBondContact O-NH2 2.98Å; K501-R504 PolarHBondContact O-N 3.26Å; K501-R504 VanDerWaalsContact O-N 3.11Å; R504-I506 PolarHBondContact O-N 3.26Å
505R50.9Low54.3Low150 Ų150114 Ų11457%0.56656%0.564SS**SBendtrans-64.7120.9178.6-62.9-162.3-62.6-167.93.2108.7L507R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 2.79Å
506I51Low52.1Low105 Ų105118.1 Ų118.154%0.53858%0.584SS.*  trans-63100.3163.6-58.5169000105.3R504R504-I506 PolarHBondContact O-N 3.26Å
507L45.9Very low49.9Very low116 Ų116123.5 Ų123.561%0.60762%0.623SS**  trans-64.6126.9163.5-75.9166.5000106.1R505 V509R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 2.79Å; L507-V509 PolarHBondContact O-N 2.82Å
508P42.6Very low48.1Very low94 Ų94123.5 Ų123.561%0.6163%0.633SS**  trans-57.7128166.425.5-32.2000107.3E510 A511P508-E510 PolarHBondContact O-N 2.98Å; P508-A511 VanDerWaalsContact O-CB 3.31Å; P508-A511 WeakPolarHBondContact O-CB 3.4Å; P508-A511 PolarHBondContact O-N 2.92Å
509V49.9Very low46.1Very low74 Ų74124.8 Ų124.845%0.44864%0.642SS.*G310 helixtrans-47.6-39.2-169.4174.30000112.3E82 L507 A511 V512E82-V509 VanDerWaalsContact CD-CG1 3.44Å; E82-V509 HydrophobicContact CG-CG1 3.96Å; E82-V509 HydrophobicContact CG-CG2 4.28Å; E82-V509 WeakPolarHBondContact OE1-CG2 3.38Å; E82-V509 WeakPolarHBondContact OE2-CG1 3.23Å; L507-V509 PolarHBondContact O-N 2.82Å; V509-A511 PolarHBondContact O-N 2.8Å; V509-V512 PolarHBondContact O-N 2.9Å
510E47.7Very low44.2Very low125 Ų125125.4 Ų125.458%0.58466%0.659SS**G310 helixtrans-58.3-13.1-178.5-150.660.7-170.500114.9P508 V512 R513P508-E510 PolarHBondContact O-N 2.98Å; E510-V512 VanDerWaalsContact C-N 3.27Å; E510-V512 PolarHBondContact O-N 2.83Å; E510-R513 IonicContact OE1-CZ 3.36Å; E510-R513 IonicContact OE1-NH1 3.44Å; E510-R513 PolarHBondContact OE1-NH1 3.34Å; E510-R513 IonicContact OE1-NH2 2.78Å; E510-R513 IonicContact OE2-CZ 3.58Å; E510-R513 IonicContact OE2-NH1 2.84Å; E510-R513 PolarHBondContact OE2-NH1 2.79Å; E510-R513 IonicContact OE2-NH2 3.86Å; E510-R513 PolarHBondContact OE2-NH2 3.04Å
511A42.6Very low42.9Very low65 Ų65127.2 Ų127.254%0.53767%0.671SS.*G310 helixtrans-72.1-10.4177.300000115P508 V509P508-A511 VanDerWaalsContact O-CB 3.31Å; P508-A511 WeakPolarHBondContact O-CB 3.4Å; P508-A511 PolarHBondContact O-N 2.92Å; V509-A511 PolarHBondContact O-N 2.8Å
512V42.4Very low41.9Very low115 Ų115131 Ų13170%0.69769%0.69SS**G310 helixtrans-11442.6-174.8-157.40000113V509 E510V509-V512 PolarHBondContact O-N 2.9Å; E510-V512 VanDerWaalsContact C-N 3.27Å; E510-V512 PolarHBondContact O-N 2.83Å
513R36.1Very low40.8Very low149 Ų149127.6 Ų127.656%0.56269%0.69SS**  trans-112.1117.5159.2-65.7-165.7-160.8110.626.7110.7E510 K515E510-R513 IonicContact OE1-CZ 3.36Å; E510-R513 IonicContact OE1-NH1 3.44Å; E510-R513 PolarHBondContact OE1-NH1 3.34Å; E510-R513 IonicContact OE1-NH2 2.78Å; E510-R513 IonicContact OE2-CZ 3.58Å; E510-R513 IonicContact OE2-NH1 2.84Å; E510-R513 PolarHBondContact OE2-NH1 2.79Å; E510-R513 IonicContact OE2-NH2 3.86Å; E510-R513 PolarHBondContact OE2-NH2 3.04Å; R513-K515 PolarHBondContact O-N 3.45Å
514P36.1Very low39.6Very low115 Ų115122.4 Ų122.475%0.74769%0.685SS**  trans-54.1132.6157-19.632.2000108.3T516P514-T516 PolarHBondContact O-N 3.11Å
515K33.7Very low38.8Very low211 Ų211125.9 Ų125.992%0.91772%0.716SS**  trans-67.9102.2173.9-71.3-174.9178.2-177.50108.5R513 C517R513-K515 PolarHBondContact O-N 3.45Å; K515-C517 PolarHBondContact O-N 3.43Å
516T36.9Very low38Very low134 Ų134124.5 Ų124.582%0.82273%0.729SS**  trans-53.7122.9173.7-43.80000109P514 G518P514-T516 PolarHBondContact O-N 3.11Å; T516-G518 PolarHBondContact O-N 3.38Å
517C28Very low37.1Very low132 Ų132125.8 Ų125.889%0.89274%0.742SS**  trans-66.9108.1-177.4-167.30000109.1K515K515-C517 PolarHBondContact O-N 3.43Å
518G30.9Very low36.5Very low69 Ų69130.4 Ų130.471%0.71176%0.757SS**  trans-137.818.1-161.300000115.4T516T516-G518 PolarHBondContact O-N 3.38Å
519Q35Very low36Very low184 Ų184132.9 Ų132.986%0.8676%0.764SS**  trans-137.9107.3166.8-71.2-171.5-1100108.9P521Q519-P521 WeakPolarHBondContact O-CD 3.47Å
520A31.2Very low35.2Very low95 Ų95139.3 Ų139.379%0.78579%0.786SS**PPolyproline II helixtrans-76.712417400000109.9
521P35.8Very low34.5Very low128 Ų128140 Ų14083%0.83179%0.794SS**PPolyproline II helixtrans-62138.5169.7-20.333.4000110.3Q519Q519-P521 WeakPolarHBondContact O-CD 3.47Å
522Q35.4Very low34.2Very low191 Ų191142.5 Ų142.589%0.89381%0.807SS**PPolyproline II helixtrans-67.7140.8-176-68.1179.7-7.600112.1S524Q522-S524 PolarHBondContact O-N 3.4Å
523L31.3Very low33.8Very low179 Ų179144.8 Ų144.894%0.93782%0.815SS**  trans-77.4114.8-174-176.775.4000111.9
524S33.6Very low33.7Very low99 Ų99140.9 Ų140.969%0.69282%0.821SS**  trans-148.8139157.862.60000111.8Q522Q522-S524 PolarHBondContact O-N 3.4Å
525S37.7Very low33.8Very low113 Ų113142.2 Ų142.279%0.7983%0.826SS**  trans24.6125.4163.155.70000119.2
526S34.6Very low33.9Very low122 Ų122138.2 Ų138.285%0.85382%0.819SS**  cis-163.2153.732.4-166.40000112.8
527V32.3Very low33.9Very low131 Ų131137.3 Ų137.379%0.79482%0.816SS**  trans-90.7131-175.7175.40000111.9
528K33.3Very low34.3Very low213 Ų213137 Ų13793%0.92681%0.813SS**  trans-165.589.2149.4-110.4161.4-171.6173.30111.8
529L30.8Very low34.4Very low147 Ų147137.1 Ų137.177%0.7781%0.813SS**  trans-108.3126.5162.7-161.480.7000108.5
530K34.6Very low34.4Very low209 Ų209136.4 Ų136.491%0.90981%0.813SS**  trans-110.598.9171.4-101.1-167.3171.6-170.80109.2
531N31.6Very low34.5Very low139 Ų139135.9 Ų135.974%0.74381%0.809SS**  trans-82.8138.2158.6-75.8-4.1000108.8
532S36.1Very low34.5Very low117 Ų117141.1 Ų141.182%0.81881%0.812SS**  trans-142.7121.7157.9-167.80000108.4
533L34.9Very low34.4Very low164 Ų164138.7 Ų138.786%0.85981%0.806SS**  trans-67158.5160.7-81.958.1000108.4
534G34.1Very low34.7Very low67 Ų67139.7 Ų139.769%0.69180%0.803SS**  trans158.881.8164.700000118
535V37.2Very low34.8Very low142 Ų142141.5 Ų141.586%0.86181%0.805SS**  trans64.5140.9144.5-173.30000119.2
536V36.4Very low34.8Very low127 Ų127142.1 Ų142.177%0.7780%0.804SS**  trans-112.9138174.71770000109.6
537P38Very low35Very low116 Ų116140.9 Ų140.975%0.75380%0.795SS**  trans-133.2162.6130.41111.3000113.6
538P36Very low35.2Very low126 Ų126141.1 Ų141.182%0.81879%0.792SS**  trans-111.2160.7-168.140.2-33.4000116.2
539G32.7Very low35.4Very low70 Ų70137.1 Ų137.172%0.72278%0.781SS**  trans133.5152.2140.100000120.4
540I35.3Very low35.8Very low169 Ų169134.9 Ų134.987%0.86778%0.777SS**  trans78.183149.9-47.1-179.7000119.6
541A33.4Very low36Very low84 Ų84130.3 Ų130.369%0.69477%0.769SS**  47.6127.7121.200000124.1
542R35.1Very low36Very low238 Ų238131.6 Ų131.690%0.89877%0.772SS**  170.4115.4122.8-88153.4-170.5177.34.6109.1
543N34.2Very low35.9Very low141 Ų141137.2 Ų137.275%0.75478%0.776SS**  72.9103.170.3-84.924000116.7
544F37.8Very low35.8Very low199 Ų199137 Ų13787%0.87378%0.775SS**  trans-157112.7140-92.2-81.9000105.1
545N35.6Very low36Very low138 Ų138139.4 Ų139.474%0.73878%0.778SS**  57.9131.480.3-68-2000112.5
546T37.9Very low35.9Very low125 Ų125139.6 Ų139.677%0.76777%0.774SS**  cis-148.7151.637.649.20000115.9
547S38.4Very low35.7Very low96 Ų96141.1 Ų141.167%0.67178%0.777SS**  trans1.9149.3147.457.70000121
548N36.7Very low35.5Very low137 Ų137138.8 Ų138.873%0.73377%0.774SS**  cis-162.8-1691.5-111.131.5000106.8
549D37.2Very low35.4Very low129 Ų129140 Ų14069%0.6977%0.769SS**  cis-160.3179.93.4-128.9-52.3000106.2
550S39.1Very low35.3Very low100 Ų100146.2 Ų146.270%0.69977%0.771SS**  cis-155.2167-5.1-139.90000109.2
551P38.5Very low35.1Very low112 Ų112147.3 Ų147.373%0.72777%0.769SS**  trans-121.4176.7-154.943.6-35.7000119.3
552M30.8Very low35.1Very low166 Ų166148.8 Ų148.882%0.81877%0.774SS**  trans95.2114.1138.6-160.1-172.7-170.800120.8
553R33.9Very low35.2Very low235 Ų235143 Ų14389%0.88777%0.768SS**  -176.2144.2111.5-96.8174.7-160.4-131.72.8113.7
554L34.2Very low35.2Very low161 Ų161145.7 Ų145.784%0.84377%0.773SS**  trans-141.6148.8168.3-97.8167.6000108
555P38.6Very low34.8Very low116 Ų116143.5 Ų143.575%0.75377%0.77SS**  -140.8159.9112.332.8-17.1000112.3
556L34.4Very low34.8Very low147 Ų147144.1 Ų144.177%0.7777%0.773SS**  cis114.7121.719.1-104.7170.2000113.4
557N31.8Very low34.5Very low158 Ų158143 Ų14385%0.84577%0.766SS**  trans76.7150.9156.6-76.9-4.8000123.6
558G34.5Very low34.3Very low67 Ų67145.2 Ų145.269%0.69177%0.77SS**  trans127.664.3-175.600000112.2
559E33.6Very low34Very low153 Ų153143.4 Ų143.472%0.71577%0.769SS**  53.5136.588.3-77.7-140.984.800116.1
560R29.6Very low33.6Very low199 Ų199146.9 Ų146.975%0.75178%0.777SS**  cis-172.3163.8-12.4-159.2-162.4-149.2133.9-8.4109.7
561K32.9Very low33.3Very low193 Ų193149 Ų14984%0.83979%0.786SS**  trans108.7123.3151.4-62.4176.9-178.1178.10118.8
562S31.9Very low32.8Very low114 Ų114149.7 Ų149.780%0.79779%0.788SS**  trans-144.5137.3154.355.90000108.9
563P38.1Very low32.8Very low118 Ų118151.2 Ų151.277%0.76679%0.793SS**  trans-136.6163.2157.339-25.9000111.6
564F33.5Very low32.7Very low197 Ų197147.4 Ų147.486%0.86479%0.79SS**  cis-155.3170-16.9-137.1-116000106.8
565L30.6Very low32.8Very low153 Ų153145 Ų14580%0.80178%0.784SS**  trans-86.6155160.2-102.279.5000109.5
566D34.6Very low32.5Very low151 Ų151145.1 Ų145.181%0.80779%0.788SS**  trans-155.4172.8140.9-127.9-39.9000113.5
567T31.2Very low32.2Very low101 Ų101145.7 Ų145.762%0.6279%0.792SS**  trans-121.6155.2-164.654.70000113.7
568N34.2Very low32.2Very low143 Ų143147.2 Ų147.277%0.76579%0.794SS**  169.3149.8116.8-93.3-64.1000118.3
569S31.4Very low31.8Very low99 Ų99153.1 Ų153.169%0.69280%0.804SS**  trans45.9120.3144.467.70000124.8
570K28.6Very low31.7Very low201 Ų201151.7 Ų151.787%0.87481%0.805SS**  33.5133.8126.7-65.6-176.9175.1-1790121.1
571V32.3Very low31.7Very low145 Ų145148.7 Ų148.788%0.87981%0.81SS**  -152.1155.6104.7140.10000109
572T27.5Very low31.6Very low126 Ų126147.6 Ų147.677%0.77381%0.812SS**  trans-121.6135.5179.947.50000110.8
573E32.2Very low31.6Very low198 Ų198153 Ų15393%0.92582%0.815SS**  trans-151.9167.5153.9-126.4159.8-137.400111
574N31Very low31.4Very low155 Ų155153.5 Ų153.583%0.82982%0.818SS**  trans-129.5-171-151.4-137.40.5000112.1
575P37.1Very low31.3Very low110 Ų110152 Ų15271%0.71482%0.818SS**  -116.9165.9-126.438.3-21.6000115.3
576S31.3Very low31.7Very low119 Ų119152.2 Ų152.283%0.83282%0.818SS**  trans-146.9158.716356.50000112
577N28.1Very low31.8Very low159 Ų159150.8 Ų150.885%0.8582%0.817SS**  trans-72.7144.9-166.8-49-54000113.5
578E32Very low31.6Very low191 Ų191157.3 Ų157.389%0.89383%0.831SS**  -155.2148.8124.7-122.9173.8-177.700112.2
579Q26.5Very low31.4Very low191 Ų191161.2 Ų161.289%0.89384%0.835SS**  trans-99.1114.8-179-69.5175.5-46.700110.2
580T31.4Very low31.6Very low122 Ų122163.8 Ų163.875%0.74884%0.836SS**  trans-146.7137.1161.9-650000110.8L582T580-L582 PolarHBondContact O-N 3.32Å
581T29.3Very low31.5Very low137 Ų137163 Ų16384%0.8484%0.835SS**  trans-65.2121.5-176.750.70000112.3
582L30.4Very low31.5Very low170 Ų170163.5 Ų163.589%0.8983%0.831SS**  trans-124.5143.8171.6-82.7168.6000111.9T580T580-L582 PolarHBondContact O-N 3.32Å
583R32Very low31.6Very low227 Ų227163.5 Ų163.586%0.85783%0.832SS**  trans-72.9151.3-176.8-60.7178-178.6-173.8-1111L585R583-L585 PolarHBondContact O-N 3.41Å
584P33.6Very low31.6Very low128 Ų128161.9 Ų161.983%0.83183%0.828SS**  trans-64.7108.317027.5-33.7000110.4I586P584-I586 PolarHBondContact O-N 2.98Å
585L32.7Very low31.8Very low165 Ų165162 Ų16286%0.86483%0.828SS**  trans-77.7109.6168.8-72.4169.3000108.6R583R583-L585 PolarHBondContact O-N 3.41Å
586I38.3Very low31.7Very low158 Ų158162.7 Ų162.781%0.8183%0.832SS**  trans-63.7126.6173.6-61.7174.9000108.5P584P584-I586 PolarHBondContact O-N 2.98Å
587P35.8Very low31.6Very low121 Ų121160.3 Ų160.379%0.78683%0.827SS**  trans-66.5143.9-176.926.4-34.2000111.9
588R27.3Very low31.8Very low239 Ų239160.1 Ų160.190%0.90283%0.826SS**  trans-104.6159.1171.2-144.2-179.9-171.5-1651107.7
589R31.2Very low31.8Very low224 Ų224158.4 Ų158.485%0.84582%0.823SS**  trans73.1156.1176.4-121.6-168.4-173178.87.6111.6
590E34.6Very low32.1Very low154 Ų154157.2 Ų157.272%0.7282%0.822SS**  cis-124-17811.2-82175.6167.400114.2
591E26.8Very low32.1Very low183 Ų183159.3 Ų159.386%0.85583%0.827SS**  trans-76.6135.4-174.6-66.2163.297.300112.6
592I32.1Very low32Very low156 Ų156161.2 Ų161.280%0.883%0.827SS**  trans-97.6108.7163.4-62.4178000108.1L594I592-L594 PolarHBondContact O-N 2.83Å
593T29.4Very low31.9Very low127 Ų127164.3 Ų164.378%0.77983%0.828SS**  trans-68.7108.1173.334.40000110.6L595T593-L595 PolarHBondContact O-N 2.82Å
594L32.5Very low31.8Very low164 Ų164162.7 Ų162.786%0.85983%0.828SS**  trans-72114.3168.4-70.6174.7000109.2I592I592-L594 PolarHBondContact O-N 2.83Å
595L34.6Very low31.7Very low157 Ų157160 Ų16082%0.82282%0.823SS**PPolyproline II helixtrans-57.7148.4172.4-73.6166.3000111T593T593-L595 PolarHBondContact O-N 2.82Å
596P34.8Very low31.5Very low124 Ų124157.4 Ų157.481%0.80582%0.818SS**PPolyproline II helixtrans-62.6143.7173.929-34.9000110
597G30.9Very low31.2Very low69 Ų69155.9 Ų155.971%0.71182%0.816SS**PPolyproline II helixtrans-77141.4177.800000111.9
598D31.5Very low30.8Very low155 Ų155157.2 Ų157.283%0.82982%0.817SS**  trans-161.2166.2134.1-98.3-30.5000109.3
599N31.7Very low30.9Very low155 Ų155157.1 Ų157.183%0.82982%0.817SS**  trans66.573176.5-52.9-52.1000117.5
600L31.9Very low30.7Very low167 Ų167151.4 Ų151.487%0.87481%0.811SS**  trans-152.163146.8-119.7169.2000112.9
601L31.8Very low30.3Very low165 Ų165153.9 Ų153.986%0.86482%0.819SS**  trans-70.1164.5154.9-88.9165.8000109.9
602Q28.7Very low30.4Very low178 Ų178149.5 Ų149.583%0.83281%0.809SS**  trans71.658.3165.8-157.2178.83300117.5
603Y27.3Very low30.3Very low234 Ų234147 Ų14792%0.91881%0.806SS**  trans-158.7101.3138.2-109.2-72.2000111.3
604K30.2Very low30.3Very low194 Ų194149.4 Ų149.484%0.84381%0.813SS**  trans-137.689.4170.2-154179.3-172.2-173.50108.6
605G31.3Very low30.3Very low71 Ų71148.1 Ų148.173%0.73281%0.805SS**  trans-88.8138.9179.800000112.1
606S28.1Very low30Very low110 Ų110149.2 Ų149.277%0.76980%0.803SS**  trans-72.8140.8-172.9-52.10000114.1
607V32.3Very low29.8Very low126 Ų126150 Ų15076%0.76480%0.801SS**  trans-134.8103.4151.5-178.30000107.7
608N28Very low29.7Very low149 Ų149152.5 Ų152.580%0.79780%0.802SS**  trans-73.3143.9174.2-73.3-2.5000110.3
609W28Very low29.7Very low238 Ų238149.7 Ų149.790%0.90280%0.795SS**  trans-112.4117.9159.7-86.277.4000109.3
610S28.4Very low29.6Very low104 Ų104149.4 Ų149.473%0.72779%0.793SS**  trans-74.5130.4-174.5178.50000112.1
611K25.7Very low29.6Very low205 Ų205147.3 Ų147.389%0.89179%0.788SS**  trans-103.7105158.1-81.6177.8178.9165.90109.3
612S29.7Very low29.6Very low91 Ų91143.4 Ų143.464%0.63677%0.774SS**  trans-146.3114.7159.8-68.10000106.2
613S29.9Very low29.8Very low105 Ų105143.7 Ų143.773%0.73478%0.775SS**  56.879.973.177.50000112.1
614L28.4Very low29.9Very low177 Ų177138.1 Ų138.193%0.92777%0.766SS**  trans-103.9118166.3-157.676.3000108.3
615I33.3Very low29.9Very low137 Ų137137.1 Ų137.170%0.70377%0.77SS**  trans-135.3112.5-179.8-66.8177.2000107.3
616K27.5Very low30Very low179 Ų179144.7 Ų144.778%0.77878%0.776SS**  trans62.2159.1164.7-61.1-179.9177.2-174.40114.5
617D30.6Very low30.2Very low141 Ų141147.5 Ų147.575%0.75478%0.782SS**  cis-141.5177.828.6-104.7-51.8000114.8
618T29Very low30Very low121 Ų121149 Ų14974%0.74279%0.785SS**  trans-59149.7-176.553.60000116.7
619S31.9Very low30.1Very low96 Ų96150.1 Ų150.167%0.67179%0.787SS**  172.4146.3101.148.30000113.9
620N30.4Very low30.2Very low150 Ų150144.6 Ų144.680%0.80278%0.776SS**  trans63.5148.5162.1-54.1-17.4000117
621T31.2Very low30.2Very low123 Ų123145.7 Ų145.776%0.75578%0.782SS**  cis-147.4159.33.1-16.40000111
622S32.5Very low30.3Very low83 Ų83143.4 Ų143.458%0.5877%0.774SS**  trans5.6136.5153.854.50000121.5
623E32Very low30.4Very low183 Ų183146.1 Ų146.186%0.85578%0.777SS**  trans67.4133.6147.2-61.9169.7147.700116.9
624T30Very low30.4Very low118 Ų118148.5 Ų148.572%0.72477%0.774SS**  cis-144.7151.122.549.90000113.2R626T624-R626 PolarHBondContact O-N 3.25Å
625N30.4Very low30.5Very low173 Ų173149.7 Ų149.793%0.92578%0.775SS**  trans-75.686.8166.6-82.7-38.5000112.2
626R33Very low30.3Very low229 Ų229152 Ų15286%0.86478%0.78SS**  trans-167.8162.6160.7-105.3163.4-168.6-154.61.7108.8T624T624-R626 PolarHBondContact O-N 3.25Å
627L31.7Very low30.1Very low170 Ų170147.9 Ų147.989%0.8978%0.779SS**  trans72.168.9-177.7-52.8175.9000116.4
628L29Very low30.2Very low156 Ų156146.7 Ų146.782%0.81778%0.779SS**  trans-160.263.5130.5-110.5171.4000111
629M29.4Very low30.1Very low174 Ų174149.2 Ų149.286%0.85778%0.78SS**  trans-81.4160.3150.7-113176.4167.900108.2
630N30.8Very low30Very low122 Ų122150.3 Ų150.365%0.65278%0.782SS**  trans67.269.9173.1-57.723000115.9
631C28.1Very low29.8Very low127 Ų127151.6 Ų151.686%0.85878%0.784SS**  trans-106.561.9135.6-81.40000109.5
632E27.9Very low29.6Very low157 Ų157151.2 Ų151.273%0.73479%0.786SS**  trans-72.2126.8149.9-65.7178.3103.500107.3
633E31.1Very low29.5Very low148 Ų148157.1 Ų157.169%0.69280%0.801SS**  -179.5132.5128.1-98.8-159.9154.100112
634K29.1Very low29.3Very low154 Ų154157.5 Ų157.567%0.6780%0.802SS**  trans54.977.6146-56.7164.4-172.9150.40118.1
635E30.8Very low29.2Very low202 Ų202160.5 Ų160.594%0.94481%0.808SS**  -121.7106.9122.6-163.4164.1-139.300108.2
636K29.4Very low29.2Very low187 Ų187159.8 Ų159.881%0.81380%0.804SS**  trans-82.7123-173.9-81.3-174173.3-175.70110.5P638K636-P638 VanDerWaalsContact O-CD 3.26Å; K636-P638 WeakPolarHBondContact O-CD 3.19Å
637A24.4Very low29.1Very low92 Ų92158 Ų15876%0.7680%0.802SS**  trans-76.3127.414800000109.7
638P31.6Very low28.9Very low116 Ų116156.8 Ų156.875%0.75380%0.797SS**  trans-92.1105.5131.831.6-24.2000106.1K636K636-P638 VanDerWaalsContact O-CD 3.26Å; K636-P638 WeakPolarHBondContact O-CD 3.19Å
639F27.6Very low28.9Very low173 Ų173156.8 Ų156.876%0.75980%0.798SS**  44.290.365.2-153-84000113.1Q641F639-Q641 PolarHBondContact O-N 2.88Å
640V29.4Very low29Very low119 Ų119155.3 Ų155.372%0.72180%0.798SS**  trans11.7100.5143-171.40000116.5
641Q26.9Very low29.1Very low178 Ų178156.1 Ų156.183%0.83281%0.807SS**  trans-163.8161.6133.4-110.1160.2-20.600111.3F639F639-Q641 PolarHBondContact O-N 2.88Å
642S26.4Very low29.2Very low114 Ų114157.6 Ų157.680%0.79781%0.805SS**  trans45.669.9172.264.20000118.2
643K30.2Very low29.4Very low208 Ų208156.4 Ų156.490%0.90480%0.804SS**  trans-132.345.8144-90.7-158.5173.7-174.10112.5
644H28.5Very low29.4Very low190 Ų190155.7 Ų155.788%0.8880%0.804SS**SBendtrans-119.273.4163.6-112.2-76.8000108.6
645Q28.1Very low29.6Very low182 Ų182155.3 Ų155.385%0.8582%0.815SS**  trans177.8148.9170.5-100.61599.100105.5
646L30.2Very low29.5Very low158 Ų158153.4 Ų153.483%0.82781%0.812SS**  trans82.835.7-164-56.5165.5000116.1
647F30.6Very low29.6Very low190 Ų190149 Ų14983%0.83381%0.81SS**  -84.4170.4114.6-83.7-95.4000108.1
648D28.3Very low30Very low146 Ų146151.2 Ų151.278%0.78181%0.814SS**  trans6796.1-174.7-48.6-33.2000114.9
649N28.9Very low29.8Very low156 Ų156152.5 Ų152.583%0.83481%0.814SS**  trans179.433.3145.2-98.3-58.2000113.7
650V30.8Very low30Very low142 Ų142151.9 Ų151.986%0.86181%0.814SS**SBendtrans-140.350.6171.9-159.30000112.9
651V32.3Very low30.2Very low140 Ų140153.4 Ų153.485%0.84882%0.816SS**  trans-141.3121.1143.8-179.60000106.7
652I30.8Very low30.5Very low157 Ų157150.8 Ų150.881%0.80581%0.808SS**  trans-99.4114165.4-63.9170.2000105.8
653D31.6Very low30.6Very low133 Ų133154 Ų15471%0.71181%0.81SS**  trans-174.3143.4135.8-103.4-20.6000112.6
654N31.3Very low30.6Very low132 Ų132152.1 Ų152.171%0.70680%0.804SS**  trans45.893.7154.1-58.6-48.6000119.4
655T33.2Very low30.7Very low146 Ų146149.1 Ų149.190%0.89680%0.795SS**  -177165.296.328.20000112.1
656N28.5Very low30.6Very low163 Ų163145.1 Ų145.187%0.87279%0.787SS**  trans-95.9156.7-173.9-67.6-56.3000113.7
657A32Very low30.6Very low95 Ų95148.2 Ų148.279%0.78579%0.789SS**  trans107.2154.2137.800000120
658V32.7Very low30.5Very low137 Ų137145.6 Ų145.683%0.8378%0.784SS**  trans81.5108.2171.7-165.80000116.5
659N27Very low30.6Very low144 Ų144144.3 Ų144.377%0.7778%0.782SS**  trans-93.2-177.6170.5-60.8-29.6000111.6
660H31.5Very low30.6Very low160 Ų160145.2 Ų145.274%0.74178%0.781SS**  trans103.6152.4151.3-87-74.9000120.6D662H660-D662 IonicContact ND1-OD2 2.72Å
661I34.4Very low30.5Very low150 Ų150146.1 Ų146.177%0.76978%0.781SS**  trans74.288.1173.3-38.9-169.5000112.8
662D33.2Very low30.6Very low124 Ų124148.5 Ų148.566%0.66379%0.785SS**  84.611057.3-53.9-42000113H660H660-D662 IonicContact ND1-OD2 2.72Å
663E28.2Very low30.5Very low182 Ų182150.7 Ų150.785%0.8579%0.789SS**  trans15133.7144.8-59.5-174.2135.800121.7
664E31.7Very low30.4Very low167 Ų167152.1 Ų152.178%0.7879%0.791SS**  176.5170.6106.9-104.1-154.5166.500114.9
665N30Very low30.4Very low128 Ų128153.1 Ų153.168%0.68480%0.796SS**  trans72.695.3157.7-69.8-56.3000120.8
666S25.3Very low30.5Very low98 Ų98155.6 Ų155.669%0.68580%0.8SS**  trans-75.5147.5149.3175.20000111
667Y30.2Very low30.6Very low222 Ų222155.1 Ų155.187%0.87179%0.791SS**  trans-139.4155.5155.8-113.4-86000112
668N29.9Very low30.6Very low135 Ų135157.2 Ų157.272%0.72279%0.788SS**  trans-105.8151.8-156.4-99.2-18.7000115
669T30.2Very low30.7Very low119 Ų119160.2 Ų160.273%0.7379%0.793SS**  trans75.8147.6142-58.90000120.2
670E27.7Very low31Very low176 Ų176160.2 Ų160.282%0.82279%0.794SS**  trans-45130.5171.3-51.7167.212200114.5
671D29.1Very low30.8Very low160 Ų160160 Ų16086%0.85680%0.797SS**  -170.7132122.3-113.1-29.9000111.1
672M33.6Very low30.7Very low191 Ų191158.1 Ų158.194%0.94180%0.795SS**  trans175.586153.7-100.9-175.886.800110.4
673K29.4Very low30.4Very low202 Ų202160.2 Ų160.288%0.87880%0.804SS**  trans-112.4157.7152.5-88.7-179.4177.5170.90108.3
674E29.3Very low30.5Very low164 Ų164155.9 Ų155.977%0.76679%0.794SS**  trans57.292.6177.7-58.6-162.6104.400115.2
675D32.3Very low30.5Very low152 Ų152154.9 Ų154.981%0.81379%0.794SS**  -164.296.6115.7-118.6-19.9000114.1
676M33.5Very low30.7Very low198 Ų198157.4 Ų157.498%0.97581%0.806SS**  trans-159.588.1137.1-128-175.1177.500110.2
677K32Very low30.9Very low154 Ų154158 Ų15867%0.6781%0.808SS**  trans-82.4163.5175.9-131.9161.3-170.5146.80110.5
678N32.3Very low31.1Very low138 Ų138151.9 Ų151.974%0.73880%0.796SS**  trans73.687.3168.6-48.8-26.1000117.5
679Q33.6Very low31.1Very low200 Ų200152.3 Ų152.394%0.93580%0.798SS**  -150.6156.6111.3-108.717041.500110.8
680N33.7Very low31Very low145 Ų145155.4 Ų155.478%0.77581%0.809SS**  trans-101161.2-155.5-69.4-50.1000115.1
681L28.1Very low31.1Very low154 Ų154154.4 Ų154.481%0.80681%0.809SS**  trans-23.6161.9154.5-70.9110.6000117.6
682P30.5Very low31.1Very low112 Ų112153.5 Ų153.573%0.72780%0.803SS**  cis-134.9177.31941.2-24.4000117.1
683I28.3Very low30.8Very low167 Ų167151.9 Ų151.986%0.85680%0.797SS**  trans-73.4124.4168.3-62.4161.2000110.3
684S30.1Very low30.9Very low91 Ų91150 Ų15064%0.63679%0.789SS**  trans-178.8157.7143.247.10000113.4
685N31.1Very low30.8Very low147 Ų147149.2 Ų149.279%0.78679%0.79SS**  trans59.668.8153.7-59.9-9000120.6
686I33.8Very low30.6Very low181 Ų181151.7 Ų151.793%0.92879%0.794SS**  -129.1124.6128-60.1-176.1000107.8
687C29.2Very low30.4Very low109 Ų109151.4 Ų151.474%0.73679%0.788SS**  trans-167.1162.5-166.8-150.60000108.9
688P35.1Very low30.2Very low95 Ų95148.9 Ų148.962%0.61779%0.789SS**  -123.7-154.2-59.637.7-23.5000110.5
689N30.8Very low30Very low144 Ų144147.1 Ų147.177%0.7779%0.788SS**  trans117.396.2155.6-60.9-35.4000116.6
690L28.2Very low29.8Very low183 Ų183146.3 Ų146.396%0.95878%0.781SS**  -164.376.3128.3-122.6135.9000110.3
691L28.8Very low29.5Very low156 Ų156146.2 Ų146.282%0.81778%0.781SS**  trans-142.7130.1177.4-116.4171.4000109.2
692I29.6Very low29.7Very low141 Ų141144.3 Ų144.372%0.72378%0.775SS**  trans60.4111.1169.9-51.8166.9000114.2
693D27.9Very low29.8Very low156 Ų156144.1 Ų144.183%0.83477%0.772SS**  -133.1147.1111.8-144.2-15.9000112.1
694K30.6Very low30Very low162 Ų162142.4 Ų142.470%0.70477%0.765SS**  trans-119.5135.5173.6-80.4-178.1175.9174.90108
695N26.7Very low30.3Very low148 Ų148144 Ų14479%0.79177%0.767SS**  trans66112.2175.2-25.9-79.1000113.7
696F29.1Very low30.5Very low204 Ų204143.4 Ų143.490%0.89576%0.763SS**  -132.7141.7128.7-141.3-94.9000111
697K29.1Very low30.4Very low193 Ų193142.7 Ų142.784%0.83976%0.76SS**  trans-144.6130.3-172-174.2-179.1-176.5-179.70107.9
698S26.8Very low30.5Very low100 Ų100143 Ų14370%0.69976%0.764SS**  trans82157.5175.8-1540000117.4
699S29.9Very low30.2Very low101 Ų101149.1 Ų149.171%0.70678%0.775SS**  trans55.9110.8-177.5-710000116.8
700K29.6Very low30.2Very low184 Ų184150.6 Ų150.680%0.878%0.777SS**  79.7120.152.3-73.2-173.4172.2-176.40114
701N26.5Very low30.4Very low142 Ų142149.6 Ų149.676%0.75977%0.771SS**  trans69.5153.1156.2-55.16.9000114.4
702T32.7Very low30.5Very low114 Ų114145.5 Ų145.570%0.69977%0.766SS**  cis-151.8131.614.8-190000111.2
703T33.1Very low30.3Very low108 Ų108146 Ų14666%0.66377%0.771SS**  trans52.6129.3138.256.10000123.7
704N32.6Very low30.3Very low132 Ų132146.4 Ų146.471%0.70677%0.773SS**  trans84122132.3-63.210.1000120.9
705N36.3Very low30.2Very low125 Ų125147.4 Ų147.467%0.66878%0.78SS**  67.2138.4126-66.343.6000119.4
706D34.3Very low30.2Very low133 Ų133146.8 Ų146.871%0.71178%0.775SS**  cis-152.7-169.87.6-104.9-39.2000110.8
707L31.8Very low30Very low166 Ų166142 Ų14287%0.86977%0.767SS**  trans78.570.9164.2-69.8132.1000118.3
708S30.5Very low29.8Very low116 Ų116142.5 Ų142.581%0.81177%0.765SS**  trans-48.2134153.442.30000116.3
709R29.8Very low29.8Very low224 Ų224142 Ų14285%0.84576%0.762SS**  trans-163.8137.2133.1-118.5-177.8172.5162-3.1113.9
710Q30.8Very low29.7Very low174 Ų174143.9 Ų143.981%0.81376%0.763SS**  trans50.681.9156-64.9175.2-83.800119
711I32.2Very low29.6Very low162 Ų162140.7 Ų140.783%0.83175%0.754SS**  trans-127.6141.5141-63.1-177.1000107.2
712G30.2Very low29.6Very low70 Ų70139.4 Ų139.472%0.72275%0.753SS**  trans-82.1140.2175.200000111.4
713N26.1Very low29.4Very low153 Ų153142.9 Ų142.982%0.81876%0.759SS**  trans-83.8122.9-176-59.3-27.2000111.6
714D28Very low29.1Very low164 Ų164144.6 Ų144.688%0.87776%0.763SS**  trans-140.861160.3-93.8-43.5000109.4I716D714-I716 PolarHBondContact O-N 3.16Å
715E27.7Very low28.7Very low183 Ų183142.9 Ų142.986%0.85576%0.762SS**  trans-76.3108.5171.3-79.3-161134.800110.8S717E715-S717 VanDerWaalsContact C-N 3.32Å; E715-S717 PolarHBondContact O-N 3.39Å
716I26.4Very low28.2Very low134 Ų134146.2 Ų146.269%0.68777%0.766SS**  trans-70.487.1176.7-55.2177.7000109.9D714 Y718D714-I716 PolarHBondContact O-N 3.16Å; I716-Y718 HydrophobicContact CB-CE2 4.46Å; I716-Y718 HydrophobicContact CG2-CD2 3.92Å; I716-Y718 HydrophobicContact CG2-CE2 3.58Å; I716-Y718 PolarHBondContact O-N 3.36Å
717S25.4Very low27.9Very low105 Ų105145.5 Ų145.573%0.73476%0.761SS**  trans-80.297.7174.344.50000110.9E715 S719E715-S717 VanDerWaalsContact C-N 3.32Å; E715-S717 PolarHBondContact O-N 3.39Å; S717-S719 VanDerWaalsContact C-N 3.27Å; S717-S719 PolarHBondContact O-N 2.93Å
718Y25.4Very low27.5Very low203 Ų203143.9 Ų143.980%0.79675%0.753SS**  trans-65.777.7176.3-79-89.3000112.6I716 I720I716-Y718 HydrophobicContact CB-CE2 4.46Å; I716-Y718 HydrophobicContact CG2-CD2 3.92Å; I716-Y718 HydrophobicContact CG2-CE2 3.58Å; I716-Y718 PolarHBondContact O-N 3.36Å; Y718-I720 PolarHBondContact O-N 2.61Å
719S26.3Very low27.3Very low90 Ų90147.3 Ų147.363%0.62975%0.75SS**  trans-8298.8167.163.70000110.2S717 N721S717-S719 VanDerWaalsContact C-N 3.27Å; S717-S719 PolarHBondContact O-N 2.93Å; S719-N721 PolarHBondContact O-N 3.11Å
720I28.2Very low27.1Very low140 Ų140146.3 Ų146.372%0.71875%0.752SS**  trans-70.583.2175.4-56.4178.2000108.9Y718 P722Y718-I720 PolarHBondContact O-N 2.61Å; I720-P722 WeakPolarHBondContact O-CD 3.11Å
721N26.3Very low26.9Very low117 Ų117142.5 Ų142.563%0.62674%0.74SS**  trans-78.1117.4167.6-87.9-81.4000108.7S719 K723S719-N721 PolarHBondContact O-N 3.11Å; N721-K723 PolarHBondContact O-N 2.81Å
722P28.4Very low26.6Very low114 Ų114140.4 Ų140.474%0.7474%0.737SS**  trans-76.467.7176.733.2-35.9000110.4I720 L724I720-P722 WeakPolarHBondContact O-CD 3.11Å; P722-L724 PolarHBondContact O-N 3.15Å
723K27.8Very low26.4Very low187 Ų187141.8 Ų141.881%0.81374%0.735SS**  trans-62.5116.4163.1-81.2-173.8174.6179.40107.3N721 S725N721-K723 PolarHBondContact O-N 2.81Å; K723-S725 PolarHBondContact O-N 2.77Å
724L26.4Very low26.4Very low145 Ų145143.9 Ų143.976%0.75974%0.737SS**  trans-64.587.9164-9167.8000108.1P722 Y726P722-L724 PolarHBondContact O-N 3.15Å; L724-Y726 PolarHBondContact O-N 3.13Å
725S24.6Very low26.3Very low96 Ų96139.9 Ų139.967%0.67172%0.722SS**  trans-64.5101.4157.8510000107.2K723 I727K723-S725 PolarHBondContact O-N 2.77Å; S725-I727 PolarHBondContact O-N 3.31Å
726Y25.6Very low26.3Very low195 Ų195140.5 Ų140.577%0.76572%0.722SS**  trans-57.4108.1157.7-90.9-107.8000106.4L724 N728L724-Y726 PolarHBondContact O-N 3.13Å; Y726-N728 PolarHBondContact O-N 3.04Å
727I27.1Very low26.4Very low118 Ų118140.3 Ų140.361%0.60572%0.722SS**  trans-71.283.5166.3-59176.3000105.3S725 Y729S725-I727 PolarHBondContact O-N 3.31Å; I727-Y729 HydrophobicContact CB-CE2 4.34Å; I727-Y729 HydrophobicContact CG2-CD2 3.95Å; I727-Y729 HydrophobicContact CG2-CE1 4.4Å; I727-Y729 HydrophobicContact CG2-CE2 3.74Å; I727-Y729 HydrophobicContact CG2-CG 4.36Å; I727-Y729 WeakPolarHBondContact O-CD2 3.46Å; I727-Y729 PolarHBondContact O-N 3.03Å
728N23.6Very low26.5Very low131 Ų131144.4 Ų144.470%0.70173%0.73SS**  trans-6594.6163.2-81.5-7.6000106.1Y726 K730Y726-N728 PolarHBondContact O-N 3.04Å; N728-K730 PolarHBondContact O-N 3.21Å
729Y26.3Very low26.7Very low189 Ų189142.2 Ų142.274%0.74173%0.727SS**  trans-58.592.8164.2-74.2-87.4000107.3I727 T731I727-Y729 HydrophobicContact CB-CE2 4.34Å; I727-Y729 HydrophobicContact CG2-CD2 3.95Å; I727-Y729 HydrophobicContact CG2-CE1 4.4Å; I727-Y729 HydrophobicContact CG2-CE2 3.74Å; I727-Y729 HydrophobicContact CG2-CG 4.36Å; I727-Y729 WeakPolarHBondContact O-CD2 3.46Å; I727-Y729 PolarHBondContact O-N 3.03Å; Y729-T731 PolarHBondContact O-N 3.09Å
730K26.2Very low26.9Very low203 Ų203144.6 Ų144.688%0.88373%0.732SS**  trans-81.156.4177.8-149.1-175.6-173.9-169.10109.3N728N728-K730 PolarHBondContact O-N 3.21Å
731T26Very low26.9Very low93 Ų93146.4 Ų146.457%0.57174%0.737SS**  trans-53.9128.1165.542.90000107.9Y729 C733Y729-T731 PolarHBondContact O-N 3.09Å; T731-C733 PolarHBondContact O-N 3.02Å
732P26.9Very low27Very low119 Ų119146.7 Ų146.777%0.77374%0.739SS**  trans-74.570.2174.531.7-34.7000109.6F734P732-F734 PolarHBondContact O-N 2.94Å
733C25.6Very low27Very low99 Ų99148.3 Ų148.367%0.66974%0.741SS**  trans-63.8121.6160.6-63.30000107T731 S735T731-C733 PolarHBondContact O-N 3.02Å; C733-S735 VanDerWaalsContact C-N 3.33Å; C733-S735 PolarHBondContact O-N 3.16Å
734F26Very low27.3Very low196 Ų196147.1 Ų147.186%0.8674%0.742SS**  trans-65.894.5167.6-86.4-104.9000108.5P732P732-F734 PolarHBondContact O-N 2.94Å
735S26.5Very low27.4Very low80 Ų80148.5 Ų148.556%0.55975%0.745SS**  trans-79.6117.4158.549.90000108.3C733 D737C733-S735 VanDerWaalsContact C-N 3.33Å; C733-S735 PolarHBondContact O-N 3.16Å; S735-D737 WeakPolarHBondContact CB-OD2 3.19Å; S735-D737 PolarHBondContact O-N 3.29Å; S735-D737 VanDerWaalsContact O-N 3.11Å; S735-D737 PolarHBondContact OG-OD2 3.32Å
736F27Very low27.6Very low197 Ų197151.5 Ų151.586%0.86475%0.748SS**  trans-75.185.5155.9-88.9-100.7000106.4E738F736-E738 VanDerWaalsContact C-N 3.31Å; F736-E738 PolarHBondContact O-N 3.39Å
737D28.9Very low27.8Very low130 Ų130148.3 Ų148.370%0.69574%0.744SS**  trans-76.389172.8-71.2-58.5000108.7S735 H739S735-D737 WeakPolarHBondContact CB-OD2 3.19Å; S735-D737 PolarHBondContact O-N 3.29Å; S735-D737 VanDerWaalsContact O-N 3.11Å; S735-D737 PolarHBondContact OG-OD2 3.32Å; D737-H739 PolarHBondContact O-N 3.4Å; D737-H739 VanDerWaalsContact O-N 3.08Å
738E27.4Very low27.9Very low190 Ų190151.9 Ų151.989%0.88876%0.756SS**  trans-65.895.2177-178.4175.5-136.900110.1F736F736-E738 VanDerWaalsContact C-N 3.31Å; F736-E738 PolarHBondContact O-N 3.39Å
739H29.7Very low28.3Very low158 Ų158153.4 Ų153.473%0.73176%0.763SS**  trans-134.5137.1178.8-113.7-68.8000113.9D737D737-H739 PolarHBondContact O-N 3.4Å; D737-H739 VanDerWaalsContact O-N 3.08Å
740D31.3Very low28.7Very low140 Ų140149.2 Ų149.275%0.74976%0.759SS**  trans59.675.3157.1-59.1-1.4000117.5N742D740-N742 PolarHBondContact O-N 2.87Å; D740-N742 VanDerWaalsContact O-N 3.12Å
741H27.7Very low29.2Very low177 Ų177145 Ų14582%0.81976%0.756SS**  trans-37.9112.3139-110.8-84.6000111.4
742N28.5Very low29.3Very low124 Ų124147.3 Ų147.366%0.66376%0.764SS**  153.4149.1119.4-73.6-37.3000114.2D740D740-N742 PolarHBondContact O-N 2.87Å; D740-N742 VanDerWaalsContact O-N 3.12Å
743N28.8Very low29.6Very low148 Ų148147.4 Ų147.479%0.79177%0.768SS**  trans86.5140.9161.7-51-39.3000119.3
744I33.1Very low30.1Very low161 Ų161147.8 Ų147.883%0.82677%0.772SS**  trans77.264.9165.1-51.4150.1000115.4
745E27.6Very low30.5Very low174 Ų174144.2 Ų144.281%0.81376%0.761SS**  16150.9112-95.8172151.900122.1
746E29.6Very low30.9Very low159 Ų159147.9 Ų147.974%0.74377%0.774SS**  trans59.4110.3159.2-59.8-170.2157.900118.4
747N29.4Very low31.4Very low129 Ų129146.5 Ų146.569%0.6977%0.77SS**  -172.8164.670-95.7-73.8000114.3
748F29.6Very low31.7Very low192 Ų192145.8 Ų145.884%0.84277%0.766SS**  trans67.792.2166.2-74.1-71.1000120.9
749L31.2Very low32.2Very low163 Ų163144 Ų14485%0.85376%0.758SS**  trans-110.3-177.7139.5-68.6173.1000107.8
750P35.8Very low32.4Very low101 Ų101144.4 Ų144.466%0.65676%0.76SS**  cis-130.5-179.3-940.2-24.7000114.1
751S36.2Very low32.6Very low116 Ų116144 Ų14481%0.81176%0.757SS**  -162.2128.2128.552.20000111.2
752D29.2Very low33Very low140 Ų140141.8 Ų141.875%0.74975%0.75SS**  trans-101.3129.4-168-54.6-80.8000113.4
753S33.4Very low33.5Very low121 Ų121141 Ų14185%0.84675%0.751SS**SBendtrans-164.728165.452.90000117.1
754S35.1Very low33.8Very low108 Ų108141.1 Ų141.176%0.75575%0.75SS**  trans-155.92.2172.752.40000118.1N756S754-N756 PolarHBondContact O-N 3.34Å
755L33.6Very low33.9Very low121 Ų121144.1 Ų144.163%0.63475%0.751SS**THydrogen-bonded Turntrans-78.917.7-167.2-125.2166.2000116.2
756N36.2Very low34.2Very low157 Ų157142.8 Ų142.884%0.8475%0.75SS**THydrogen-bonded Turntrans-105.617.9-176.5-73.810.9000114.6S754S754-N756 PolarHBondContact O-N 3.34Å
757Q37Very low34.4Very low168 Ų168143.2 Ų143.279%0.78575%0.751SS**SBendtrans-128.77.2176.8-73.3-170.5-27.500114.5
758L34.6Very low34.5Very low115 Ų115144.1 Ų144.160%0.60276%0.756SS**SBendtrans-112.5-19.1-177.2-87.2162000115
759E37.6Very low34.5Very low152 Ų152145.2 Ų145.271%0.7176%0.756SS**SBendtrans-71.5-30.1175-66.3-164.1118.300112.8L761 L762E759-L761 VanDerWaalsContact C-N 3.27Å; E759-L761 PolarHBondContact O-N 2.89Å; E759-L762 PolarHBondContact O-N 3.04Å
760E35.7Very low34.3Very low166 Ų166145.7 Ų145.778%0.77675%0.754SS**THydrogen-bonded Turntrans-72.5-16.8-177.9-162.6166-147.400113.5T763E760-T763 PolarHBondContact O-OG1 2.81Å
761L34.5Very low34.1Very low131 Ų131148.6 Ų148.669%0.68676%0.762SS**THydrogen-bonded Turntrans-95-10177.6-66.7178.6000114.3E759E759-L761 VanDerWaalsContact C-N 3.27Å; E759-L761 PolarHBondContact O-N 2.89Å
762L35.7Very low33.9Very low131 Ų131147.9 Ų147.969%0.68675%0.753SS**THydrogen-bonded Turntrans-90.9-13.7-178.3-73.2169.8000113.8E759E759-L762 PolarHBondContact O-N 3.04Å
763T40.1Very low34Very low109 Ų109146.5 Ų146.567%0.66975%0.752SS**G310 helixtrans-79.5-19.6-17853.90000114.2E760 R765E760-T763 PolarHBondContact O-OG1 2.81Å; T763-R765 PolarHBondContact O-N 3.46Å
764L34.3Very low33.9Very low150 Ų150146.5 Ų146.579%0.78575%0.749SS**G310 helixtrans-86.76.2-176.5-76.4171.2000115.2N766L764-N766 VanDerWaalsContact C-N 3.35Å; L764-N766 PolarHBondContact O-N 3.12Å
765R35.7Very low33.7Very low224 Ų224153 Ų15385%0.84576%0.757SS**G310 helixtrans-83.3-2.2-175.4-149.2175.2-175.1173.62.6115.3T763T763-R765 PolarHBondContact O-N 3.46Å
766N34Very low33.4Very low146 Ų146155.4 Ų155.478%0.78177%0.77SS**  trans-124.769.6-175.2-80.2-29.6000113L764L764-N766 VanDerWaalsContact C-N 3.35Å; L764-N766 PolarHBondContact O-N 3.12Å
767H34.5Very low33Very low168 Ų168152.8 Ų152.878%0.77876%0.763SS**  trans-146105.5158-110.7-64.1000114.5
768N29.9Very low32.5Very low147 Ų147151.2 Ų151.279%0.78677%0.77SS**  trans-14.9116.1163.4-50.7-18.1000117.1
769Y29.7Very low32.4Very low216 Ų216152 Ų15285%0.84778%0.779SS**  trans-127.392.1153.5-92.3-83.7000110.4I771Y769-I771 PolarHBondContact O-N 3.08Å; Y769-I771 VanDerWaalsContact O-N 3.15Å
770E26.8Very low32.1Very low173 Ų173150.4 Ų150.481%0.80878%0.784SS**  trans-80.388.9179.2-170.5179.2-163.800110.2T772E770-T772 VanDerWaalsContact C-N 3.33Å; E770-T772 HydrophobicContact CG-CG2 4.36Å; E770-T772 PolarHBondContact O-N 3.3Å
771I31.7Very low31.8Very low162 Ų162145.7 Ų145.783%0.83178%0.781SS**  trans-73.986.6-180-56.4178.8000109.8Y769Y769-I771 PolarHBondContact O-N 3.08Å; Y769-I771 VanDerWaalsContact O-N 3.15Å
772T31.7Very low31.7Very low101 Ų101147.4 Ų147.462%0.6279%0.79SS**  trans-73.3138.4171.6430000111.2E770E770-T772 VanDerWaalsContact C-N 3.33Å; E770-T772 HydrophobicContact CG-CG2 4.36Å; E770-T772 PolarHBondContact O-N 3.3Å
773P31.6Very low31.5Very low111 Ų111149.4 Ų149.472%0.72179%0.793SS**  trans-73.8137.817829.6-34.1000110.9R775P773-R775 PolarHBondContact O-N 2.9Å; P773-R775 VanDerWaalsContact O-N 3.15Å
774P32.8Very low31.2Very low120 Ų120152.3 Ų152.378%0.77980%0.804SS**  trans-68.3115-177.726.8-34000111.3L776P774-L776 PolarHBondContact O-N 2.82Å
775R29.3Very low31Very low244 Ų244152.1 Ų152.192%0.92180%0.804SS**  trans-66.9118169.3-76.2-178.4169.8179.1-2.3109.6P773 S777P773-R775 PolarHBondContact O-N 2.9Å; P773-R775 VanDerWaalsContact O-N 3.15Å; R775-S777 PolarHBondContact O-N 2.93Å; R775-S777 VanDerWaalsContact O-N 3.16Å
776L28.9Very low30.8Very low173 Ų173149.5 Ų149.591%0.90680%0.803SS**  trans-68.2110.3166.9-81.779.5000109.8P774P774-L776 PolarHBondContact O-N 2.82Å
777S27.8Very low30.6Very low101 Ų101151.7 Ų151.771%0.70681%0.806SS**  trans-99.8138.3156.752.90000109.2R775 V779R775-S777 PolarHBondContact O-N 2.93Å; R775-S777 VanDerWaalsContact O-N 3.16Å; S777-V779 PolarHBondContact O-N 2.9Å
778C26Very low30.6Very low136 Ų136152.5 Ų152.592%0.91981%0.808SS**  trans-81.6116.8-179.2-63.90000110.1
779V32.9Very low30.8Very low132 Ų132153.1 Ų153.180%0.881%0.809SS**  trans-122.8143.4167.3-177.60000108.4S777S777-V779 PolarHBondContact O-N 2.9Å
780S31.1Very low31Very low117 Ų117149.3 Ų149.382%0.81881%0.808SS**  trans-63.7147.7-179.2-166.20000111.1
781G28.6Very low31.4Very low68 Ų68144.7 Ų144.770%0.70181%0.808SS**  trans-77.9154.5-167.900000114.5
782D33.3Very low31.5Very low167 Ų167142.4 Ų142.489%0.89381%0.806SS**  trans-143.1169.3147.5-129.7-35.9000110.3
783K30.6Very low31.8Very low172 Ų172147 Ų14775%0.74882%0.82SS**  trans-70.7135.2-175.3-85.4-175.3156.5-147.90113.4
784L33.7Very low32Very low171 Ų171146 Ų14690%0.89582%0.821SS**  trans-136.8122.7157-78.4172000110.5
785D30.8Very low32.5Very low145 Ų145146 Ų14678%0.77582%0.822SS**  trans-86.9124.9172.3-66.3-55.7000109.6K787D785-K787 PolarHBondContact O-N 3.12Å
786M31.8Very low33.1Very low170 Ų170144.6 Ų144.684%0.83784%0.841SS**  trans-82.6105.3175.9-74.2-174.6175.400111.3
787K30.4Very low33.3Very low192 Ų192143.2 Ų143.284%0.83584%0.837SS**  trans-81.9120156.5-79.3-174.2174-177.10109.2D785D785-K787 PolarHBondContact O-N 3.12Å
788F33.3Very low33.6Very low185 Ų185145.4 Ų145.481%0.81184%0.844SS**  trans-74.8125.5163.1-77.4-91.8000109.2
789I33.7Very low34Very low159 Ų159145.9 Ų145.982%0.81584%0.84SS**  trans-102.8109.6169.4-61176.8000106.7G791I789-G791 PolarHBondContact O-N 3.22Å; I789-G791 VanDerWaalsContact O-N 3.12Å
790T35.5Very low34.1Very low136 Ų136146.8 Ų146.883%0.83484%0.842SS**  trans-78.890174.148.20000109.4S792T790-S792 PolarHBondContact O-N 3.44Å
791G34.8Very low34.3Very low77 Ų77148.6 Ų148.679%0.79484%0.844SS**  trans-72.6104173.200000111I789I789-G791 PolarHBondContact O-N 3.22Å; I789-G791 VanDerWaalsContact O-N 3.12Å
792S33.2Very low34.7Very low114 Ų114154 Ų15480%0.79785%0.853SS**  trans-99.3117.8166-174.20000109.4T790T790-S792 PolarHBondContact O-N 3.44Å
793Q37.7Very low34.8Very low196 Ų196153.1 Ų153.192%0.91685%0.851SS**  trans-137.9110.1162.6-77.3-171-27.800107.6
794A35.5Very low35.1Very low90 Ų90151.6 Ų151.674%0.74486%0.858SS**  trans-84.1141.3163.700000108.8
795P44.3Very low35.2Very low122 Ų122150 Ų15079%0.79286%0.855SS**  trans-71.5157.3166.832.3-34000110.8
796T41.6Very low35.6Very low214 Ų214150.5 Ų150.5100%1.31386%0.863SS**  trans-72.7016751.20000111.9

Retrieved 796 of 796 residues in 1316.6 ms (Link to these results)

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