A0A5K4F304_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F304, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 798 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
1M48.1Very low79.7Confident208 Ų20876.5 Ų76.5100%1.02539%0.386SS*.  0-0.90-75.5-161.5169.700112.9
2D62Low80.5Confident113 Ų11370.3 Ų70.360%0.60435%0.354SS*.  trans-87.1-13.7-173.4-50.3-58.5000114.7
3S64.5Low81.1Confident79 Ų7967.5 Ų67.555%0.55235%0.354SS*.SBendtrans-70.1-36.7-176.144.70000114N5 R6S3-N5 VanDerWaalsContact C-N 3.26Å; S3-N5 PolarHBondContact O-N 3.46Å; S3-R6 PolarHBondContact O-N 3.15Å
4E70.1Confident81.9Confident157 Ų15765.8 Ų65.873%0.73435%0.345SS*.THydrogen-bonded Turntrans-73.1-18.1-177-67.7178.3179.300113.6K20E4-K20 PolarHBondContact O-NZ 3.49Å
5N83Confident82.7Confident91 Ų9171.3 Ų71.349%0.48736%0.359SS..THydrogen-bonded Turntrans-94.6-5.3180-75.2-31.6000113.7S3 Y19 K20S3-N5 VanDerWaalsContact C-N 3.26Å; S3-N5 PolarHBondContact O-N 3.46Å; N5-Y19 CarbonylContact O-C 3.56Å; N5-Y19 WeakPolarHBondContact O-CA 3.25Å; N5-K20 PolarHBondContact O-N 3.02Å
6R88.9Confident83.3Confident124 Ų12468.5 Ų68.547%0.46834%0.344SS..EExtended strand (participates in β ladder)trans-86.4142.4176.3-68.6-175.6-60.8-174.31.6110.8S3 T18 Y19S3-R6 PolarHBondContact O-N 3.15Å; R6-T18 CarbonylContact C-O 3.55Å; R6-T18 WeakPolarHBondContact CA-O 3.4Å; R6-Y19 HydrophobicContact CG-CD1 3.9Å; R6-Y19 HydrophobicContact CG-CE1 3.67Å
7V89.3Confident83.8Confident11 Ų1170.9 Ų70.97%0.06735%0.354CS..EExtended strand (participates in β ladder)trans-124.1132.4176.5-1760000108L9 T18 K20 Y48V7-L9 HydrophobicContact CG1-CD2 3.83Å; V7-L9 HydrophobicContact CG1-CG 4.26Å; V7-T18 HydrophobicContact CB-CG2 4.49Å; V7-T18 PolarHBondContact N-O 3.34Å; V7-T18 PolarHBondContact O-N 3.4Å; V7-K20 HydrophobicContact CG2-CB 4.38Å; V7-K20 HydrophobicContact CG2-CD 4.27Å; V7-K20 HydrophobicContact CG2-CG 3.3Å; V7-Y48 HydrophobicContact CG1-CD2 3.76Å; V7-Y48 HydrophobicContact CG1-CE2 3.76Å
8I91.6Very high84.2Confident46 Ų4667.4 Ų67.424%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-101.5123.7175.6-54178.6000108.2R15 E17 E47 Y48I8-R15 HydrophobicContact CG2-CB 4.36Å; I8-R15 HydrophobicContact CG2-CG 4.41Å; I8-E17 HydrophobicContact CG1-CG 4.4Å; I8-E47 HydrophobicContact CB-CB 3.87Å; I8-E47 HydrophobicContact CG2-CB 3.74Å; I8-E47 WeakPolarHBondContact O-CA 3.42Å; I8-Y48 PolarHBondContact O-N 3.06Å
9L92.4Very high84.6Confident0 Ų070.4 Ų70.40%035%0.345CS..EExtended strand (participates in β ladder)trans-116.3108.3178.4-57.1176000108.1V7 H16 T18 L23 L31 L34 Y48 F57V7-L9 HydrophobicContact CG1-CD2 3.83Å; V7-L9 HydrophobicContact CG1-CG 4.26Å; L9-H16 HydrophobicContact CB-CB 4.42Å; L9-H16 PolarHBondContact N-O 3.46Å; L9-H16 WeakPolarHBondContact O-CB 3.4Å; L9-H16 PolarHBondContact O-N 3.28Å; L9-T18 HydrophobicContact CD1-CG2 4.2Å; L9-L23 HydrophobicContact CD1-CD1 4.29Å; L9-L31 HydrophobicContact CD1-CD2 4.06Å; L9-L34 HydrophobicContact CD2-CD1 4.02Å; L9-Y48 CarbonylContact C-O 3.57Å; L9-Y48 HydrophobicContact CD2-CD2 3.92Å; L9-Y48 HydrophobicContact CD2-CG 4.09Å; L9-F57 HydrophobicContact CB-CE1 4.28Å; L9-F57 HydrophobicContact CB-CZ 4.21Å; L9-F57 HydrophobicContact CD1-CE1 4.29Å; L9-F57 HydrophobicContact CD1-CZ 3.67Å
10N93.5Very high84.8Confident13 Ų1371.4 Ų71.47%0.0735%0.347CS..EExtended strand (participates in β ladder)trans-91.4103.3176.3-175.9-8.8000109.5G13 I14 R15 E47 Y48 F49 Y50N10-G13 WeakPolarHBondContact OD1-CA 3.42Å; N10-G13 PolarHBondContact OD1-N 3.27Å; N10-I14 CarbonylContact C-O 3.6Å; N10-I14 WeakPolarHBondContact CA-O 3.37Å; N10-I14 PolarHBondContact OD1-N 2.89Å; N10-R15 HydrophobicContact CB-CG 4.45Å; N10-E47 HydrophobicContact CB-CG 4.34Å; N10-E47 PolarHBondContact ND2-OE1 2.97Å; N10-Y48 PolarHBondContact N-O 3.13Å; N10-F49 HydrophobicContact CB-CD2 4.18Å; N10-F49 CarbonylContact O-C 3.58Å; N10-F49 WeakPolarHBondContact O-CA 3.46Å; N10-Y50 PolarHBondContact O-N 3.42Å
11V93Very high85Confident0 Ų071.3 Ų71.30%036%0.359CS..EExtended strand (participates in β ladder)trans-111.2119.1-178.9-173.60000109.4G13 I14 Y50 R52 F57V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.15Å; V11-I14 PolarHBondContact N-O 2.86Å; V11-I14 PolarHBondContact O-N 2.82Å; V11-Y50 CarbonylContact C-O 3.53Å; V11-Y50 VanDerWaalsContact CA-O 3.32Å; V11-Y50 WeakPolarHBondContact CA-O 3.43Å; V11-Y50 HydrophobicContact CG2-CD2 4.43Å; V11-R52 HydrophobicContact CG1-CB 4.09Å; V11-F57 HydrophobicContact CB-CB 4.23Å; V11-F57 HydrophobicContact CB-CD1 4.02Å; V11-F57 HydrophobicContact CB-CG 4.01Å; V11-F57 HydrophobicContact CG1-CB 3.85Å; V11-F57 HydrophobicContact CG1-CD2 4.41Å; V11-F57 HydrophobicContact CG1-CG 4Å; V11-F57 HydrophobicContact CG2-CB 4.36Å; V11-F57 HydrophobicContact CG2-CD1 3.5Å; V11-F57 VanDerWaalsContact CG2-CD1 3.5Å; V11-F57 HydrophobicContact CG2-CD2 3.85Å; V11-F57 HydrophobicContact CG2-CE1 3.64Å; V11-F57 HydrophobicContact CG2-CE2 3.96Å; V11-F57 HydrophobicContact CG2-CG 3.61Å; V11-F57 HydrophobicContact CG2-CZ 3.87Å
12G89.7Confident87Confident1 Ų162.4 Ų62.41%0.0132%0.316CS..THydrogen-bonded Turntrans54.934.1-178.100000112.6I14 Y50 R52 Y578G12-I14 VanDerWaalsContact C-N 3.29Å; G12-I14 PolarHBondContact O-N 2.95Å; G12-Y50 PolarHBondContact N-O 2.98Å; G12-R52 WeakPolarHBondContact CA-O 3.27Å; G12-R52 PolarHBondContact N-O 2.81Å; G12-Y578 WeakPolarHBondContact O-CE2 3.42Å; G12-Y578 PolarHBondContact O-OH 2.88Å
13G88.6Confident88.3Confident34 Ų3457.3 Ų57.335%0.35129%0.289SS..THydrogen-bonded Turntrans81.1-4.1-176.600000115.7N10 V11N10-G13 WeakPolarHBondContact OD1-CA 3.42Å; N10-G13 PolarHBondContact OD1-N 3.27Å; V11-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact O-N 3.15Å
14I92.4Very high89.5Confident44 Ų4460.7 Ų60.723%0.22629%0.293CS..EExtended strand (participates in β ladder)trans-96.5123.8175.2-54.4-161.8000109.5N10 V11 G12 H16 P54 L574N10-I14 CarbonylContact C-O 3.6Å; N10-I14 WeakPolarHBondContact CA-O 3.37Å; N10-I14 PolarHBondContact OD1-N 2.89Å; V11-I14 PolarHBondContact N-O 2.86Å; V11-I14 PolarHBondContact O-N 2.82Å; G12-I14 VanDerWaalsContact C-N 3.29Å; G12-I14 PolarHBondContact O-N 2.95Å; I14-H16 PolarHBondContact O-CD2 2.95Å; I14-H16 VanDerWaalsContact O-CD2 3.3Å; I14-P54 HydrophobicContact CB-CB 4.01Å; I14-P54 HydrophobicContact CD1-CB 3.63Å; I14-P54 HydrophobicContact CD1-CG 3.97Å; I14-P54 HydrophobicContact CG1-CB 3.74Å; I14-P54 HydrophobicContact CG1-CG 4.23Å; I14-L574 HydrophobicContact CG1-CD2 4.23Å
15R92.9Very high90.4Very high149 Ų14959.3 Ų59.356%0.56229%0.285SS*.EExtended strand (participates in β ladder)trans-81.4124.4177.5-66.6-174.217797.64.6110.8I8 N10 E47I8-R15 HydrophobicContact CG2-CB 4.36Å; I8-R15 HydrophobicContact CG2-CG 4.41Å; N10-R15 HydrophobicContact CB-CG 4.45Å; R15-E47 IonicContact CZ-OE2 3.55Å; R15-E47 IonicContact NE-OE2 2.96Å; R15-E47 PolarHBondContact NE-OE2 3.27Å; R15-E47 IonicContact NH2-OE1 3.8Å; R15-E47 IonicContact NH2-OE2 3.37Å
16H93.1Very high90.6Very high26 Ų2656.8 Ų56.812%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-115128.3173.8-65.1-88.9000109.8L9 I14 F57 L61L9-H16 HydrophobicContact CB-CB 4.42Å; L9-H16 PolarHBondContact N-O 3.46Å; L9-H16 WeakPolarHBondContact O-CB 3.4Å; L9-H16 PolarHBondContact O-N 3.28Å; I14-H16 PolarHBondContact O-CD2 2.95Å; I14-H16 VanDerWaalsContact O-CD2 3.3Å; H16-F57 HydrophobicContact CB-CD1 4.35Å; H16-F57 HydrophobicContact CB-CE1 3.84Å; H16-F57 AromaticContact CD2-CD1 3.46Å; H16-F57 VanDerWaalsContact CD2-CD1 3.46Å; H16-F57 WeakPolarHBondContact CD2-CD1 3.45Å; H16-F57 AromaticContact CD2-CE1 3.78Å; H16-F57 AromaticContact CG-CD1 3.74Å; H16-F57 AromaticContact CG-CE1 3.74Å; H16-F57 AromaticContact NE2-CD1 3.69Å; H16-L61 HydrophobicContact CB-CD2 3.91Å
17E91.8Very high90.2Very high110 Ų11055.6 Ų55.651%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-105.9138.1179.2-61.1-175.5-171.700111.3I8 R65I8-E17 HydrophobicContact CG1-CG 4.4Å; E17-R65 PolarHBondContact O-NH2 3.45Å
18T91.2Very high89.8Confident8 Ų858.8 Ų58.85%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-154.3170177.3-166.70000111.5R6 V7 L9 L23 L61R6-T18 CarbonylContact C-O 3.55Å; R6-T18 WeakPolarHBondContact CA-O 3.4Å; V7-T18 HydrophobicContact CB-CG2 4.49Å; V7-T18 PolarHBondContact N-O 3.34Å; V7-T18 PolarHBondContact O-N 3.4Å; L9-T18 HydrophobicContact CD1-CG2 4.2Å; T18-L23 HydrophobicContact CG2-CD1 3.83Å; T18-L23 HydrophobicContact CG2-CD2 3.89Å; T18-L23 HydrophobicContact CG2-CG 3.82Å; T18-L61 HydrophobicContact CG2-CD1 4.15Å
19Y91.1Very high89.7Confident124 Ų12456.8 Ų56.849%0.48630%0.297SS..EExtended strand (participates in β ladder)trans-92.4145.3176-62.8-76.6000111.2N5 R6 A21 T22 L23N5-Y19 CarbonylContact O-C 3.56Å; N5-Y19 WeakPolarHBondContact O-CA 3.25Å; R6-Y19 HydrophobicContact CG-CD1 3.9Å; R6-Y19 HydrophobicContact CG-CE1 3.67Å; Y19-A21 PolarHBondContact O-N 2.72Å; Y19-A21 VanDerWaalsContact O-N 3.16Å; Y19-T22 WeakPolarHBondContact O-CB 3.36Å; Y19-T22 PolarHBondContact O-N 3.24Å; Y19-L23 PolarHBondContact O-N 2.99Å
20K88Confident89.5Confident89 Ų8961.6 Ų61.639%0.38732%0.315SS..Hα-helixtrans-52.3-36.7172.5-71178.4178.6163.10111.6E4 N5 V7 T22 L23 K24E4-K20 PolarHBondContact O-NZ 3.49Å; N5-K20 PolarHBondContact O-N 3.02Å; V7-K20 HydrophobicContact CG2-CB 4.38Å; V7-K20 HydrophobicContact CG2-CD 4.27Å; V7-K20 HydrophobicContact CG2-CG 3.3Å; K20-T22 PolarHBondContact O-N 3.41Å; K20-L23 PolarHBondContact O-N 3.3Å; K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.47Å
21A89Confident89.2Confident71 Ų7161.1 Ų61.159%0.58731%0.312SS*.Hα-helixtrans-63.4-37.9177.100000113.3Y19 K24 K25Y19-A21 PolarHBondContact O-N 2.72Å; Y19-A21 VanDerWaalsContact O-N 3.16Å; A21-K24 PolarHBondContact O-N 2.84Å; A21-K25 PolarHBondContact O-N 3.35Å
22T91.1Very high88.9Confident20 Ų2062.4 Ų62.412%0.12332%0.321CS..Hα-helixtrans-65.2-40.8179.8-55.90000111.6Y19 K20 K24 K25 R65Y19-T22 WeakPolarHBondContact O-CB 3.36Å; Y19-T22 PolarHBondContact O-N 3.24Å; K20-T22 PolarHBondContact O-N 3.41Å; T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 3.39Å; T22-K25 WeakPolarHBondContact O-CB 3.28Å; T22-K25 PolarHBondContact O-N 3.1Å; T22-R65 HydrophobicContact CG2-CG 3.94Å
23L89.8Confident88.6Confident6 Ų669.1 Ų69.13%0.03135%0.35CS..Hα-helixtrans-71.8-25.5179.1-59.2-177.4000112.9L9 T18 Y19 K20 K25 L31 S32 L34 L61 Y64L9-L23 HydrophobicContact CD1-CD1 4.29Å; T18-L23 HydrophobicContact CG2-CD1 3.83Å; T18-L23 HydrophobicContact CG2-CD2 3.89Å; T18-L23 HydrophobicContact CG2-CG 3.82Å; Y19-L23 PolarHBondContact O-N 2.99Å; K20-L23 PolarHBondContact O-N 3.3Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-L31 HydrophobicContact CD2-CB 4.08Å; L23-L31 HydrophobicContact CD2-CD1 4.19Å; L23-S32 WeakPolarHBondContact O-CA 3.39Å; L23-S32 WeakPolarHBondContact O-CB 3.34Å; L23-L34 HydrophobicContact CD1-CD1 3.58Å; L23-L61 HydrophobicContact CD2-CD1 4.33Å; L23-Y64 HydrophobicContact CD2-CD1 4.37Å; L23-Y64 HydrophobicContact CD2-CG 4.36Å
24K88.8Confident88.4Confident151 Ų15169.1 Ų69.166%0.65734%0.342SS*.THydrogen-bonded Turntrans-79-10.2176-71.8-179.5178.8-1740114.1K20 A21 T22 I26K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.47Å; A21-K24 PolarHBondContact O-N 2.84Å; T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 3.39Å; K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 3.28Å
25K88.2Confident87.7Confident127 Ų12770.7 Ų70.755%0.55235%0.354SS*.THydrogen-bonded Turntrans-60.7-35.3180-76.1179.4175.4-175.60113.4A21 T22 L23 P27 Y64 R65A21-K25 PolarHBondContact O-N 3.35Å; T22-K25 WeakPolarHBondContact O-CB 3.28Å; T22-K25 PolarHBondContact O-N 3.1Å; L23-K25 VanDerWaalsContact C-N 3.33Å; K25-P27 WeakPolarHBondContact O-CD 3.34Å; K25-Y64 VanDerWaalsContact CD-O 3.27Å; K25-Y64 WeakPolarHBondContact CD-O 3.4Å; K25-R65 PolarHBondContact NZ-O 3.26Å
26I87.9Confident86.9Confident38 Ų3869.9 Ų69.920%0.19536%0.356CS..SBendtrans-114.692.3-178.1-50.2-177.4000107.9K24 T29 S32 Y63 Y64K24-I26 VanDerWaalsContact C-N 3.29Å; K24-I26 PolarHBondContact O-N 3.28Å; I26-T29 HydrophobicContact CB-CG2 4.11Å; I26-T29 HydrophobicContact CG2-CG2 3.62Å; I26-T29 PolarHBondContact O-OG1 2.75Å; I26-S32 WeakPolarHBondContact O-CB 3.41Å; I26-Y63 HydrophobicContact CD1-CD1 3.62Å; I26-Y63 HydrophobicContact CD1-CE1 3.16Å; I26-Y63 HydrophobicContact CD1-CE2 4.41Å; I26-Y63 HydrophobicContact CD1-CG 4.41Å; I26-Y64 HydrophobicContact CB-CD1 4.32Å; I26-Y64 HydrophobicContact CB-CE1 4.07Å; I26-Y64 HydrophobicContact CD1-CD1 4.25Å; I26-Y64 HydrophobicContact CD1-CE1 4.47Å; I26-Y64 HydrophobicContact CG1-CD1 4.24Å; I26-Y64 HydrophobicContact CG1-CE1 4.44Å
27P80.9Confident85.7Confident100 Ų10073.3 Ų73.365%0.64939%0.389SS*.THydrogen-bonded Turntrans-65.3156.8178.928.7-34000110.3K25 T29K25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-T29 VanDerWaalsContact C-N 3.34Å; P27-T29 PolarHBondContact O-N 2.78Å
28A80.9Confident85.1Confident77 Ų7771.1 Ų71.164%0.63638%0.381SS*.THydrogen-bonded Turntrans78.2-2.7-178.400000117.4S32A28-S32 PolarHBondContact N-OG 3.24Å
29T88.6Confident84.4Confident4 Ų475.7 Ų75.73%0.02542%0.419CS..SBendtrans-83.1160.4173.362.20000112.7I26 P27 L31 S32 Y64 L89I26-T29 HydrophobicContact CB-CG2 4.11Å; I26-T29 HydrophobicContact CG2-CG2 3.62Å; I26-T29 PolarHBondContact O-OG1 2.75Å; P27-T29 VanDerWaalsContact C-N 3.34Å; P27-T29 PolarHBondContact O-N 2.78Å; T29-L31 VanDerWaalsContact C-N 3.28Å; T29-L31 PolarHBondContact O-N 2.93Å; T29-S32 PolarHBondContact N-OG 3.22Å; T29-S32 PolarHBondContact O-N 3.39Å; T29-S32 PolarHBondContact O-OG 2.98Å; T29-S32 WeakPolarHBondContact OG1-CB 3.43Å; T29-S32 PolarHBondContact OG1-N 3.46Å; T29-S32 PolarHBondContact OG1-OG 3.01Å; T29-Y64 WeakPolarHBondContact CB-OH 3.27Å; T29-Y64 HydrophobicContact CG2-CE1 4.35Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.26Å; T29-Y64 PolarHBondContact OG1-OH 2.85Å; T29-L89 HydrophobicContact CG2-CD2 3.62Å
30R88.2Confident84.1Confident102 Ų10272.8 Ų72.839%0.38541%0.412SS..THydrogen-bonded Turntrans-60-38.3177.9-170.6-177.8-61.3-133.21.6112.3K33 F86 W87R30-K33 PolarHBondContact O-N 3.37Å; R30-F86 VanDerWaalsContact CZ-CD2 3.47Å; R30-F86 PolarHBondContact NE-O 3.02Å; R30-F86 VanDerWaalsContact NH2-CD2 3.31Å; R30-F86 PolarHBondContact NH2-O 2.74Å; R30-W87 PolarHBondContact N-O 3.34Å
31L89.1Confident84.1Confident2 Ų270.5 Ų70.51%0.0140%0.401CS..THydrogen-bonded Turntrans-74.4-25.6-179.8-66175.7000113.2L9 L23 T29 K33 L34 F57 Y64 W87L9-L31 HydrophobicContact CD1-CD2 4.06Å; L23-L31 HydrophobicContact CD2-CB 4.08Å; L23-L31 HydrophobicContact CD2-CD1 4.19Å; T29-L31 VanDerWaalsContact C-N 3.28Å; T29-L31 PolarHBondContact O-N 2.93Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 3.05Å; L31-L34 HydrophobicContact CD2-CD1 4.13Å; L31-L34 WeakPolarHBondContact O-CD1 3.36Å; L31-L34 VanDerWaalsContact O-CG 3.26Å; L31-L34 WeakPolarHBondContact O-CG 3.49Å; L31-F57 HydrophobicContact CD1-CE2 3.98Å; L31-F57 HydrophobicContact CD1-CZ 4.24Å; L31-Y64 HydrophobicContact CB-CE1 4.39Å; L31-Y64 HydrophobicContact CD1-CD2 4.31Å; L31-Y64 HydrophobicContact CD1-CE2 3.67Å; L31-W87 HydrophobicContact CD1-CE3 4.18Å; L31-W87 HydrophobicContact CD1-CZ3 4.41Å; L31-W87 HydrophobicContact CD2-CE3 3.9Å; L31-W87 HydrophobicContact CD2-CH2 4.43Å; L31-W87 HydrophobicContact CD2-CZ3 3.49Å; L31-W87 VanDerWaalsContact CD2-CZ3 3.49Å; L31-W87 HydrophobicContact CG-CE3 3.78Å; L31-W87 HydrophobicContact CG-CZ3 3.93Å
32S86.2Confident84Confident28 Ų2869.7 Ų69.720%0.19639%0.387CS..THydrogen-bonded Turntrans-69.8-24.5173.872.70000113L23 I26 A28 T29L23-S32 WeakPolarHBondContact O-CA 3.39Å; L23-S32 WeakPolarHBondContact O-CB 3.34Å; I26-S32 WeakPolarHBondContact O-CB 3.41Å; A28-S32 PolarHBondContact N-OG 3.24Å; T29-S32 PolarHBondContact N-OG 3.22Å; T29-S32 PolarHBondContact O-N 3.39Å; T29-S32 PolarHBondContact O-OG 2.98Å; T29-S32 WeakPolarHBondContact OG1-CB 3.43Å; T29-S32 PolarHBondContact OG1-N 3.46Å; T29-S32 PolarHBondContact OG1-OG 3.01Å
33K83.9Confident83.7Confident142 Ų14273.6 Ų73.662%0.61741%0.412SS*.THydrogen-bonded Turntrans-99.319.4-176.5-63.1179.2-178.6173.50113.6R30 L31 T35R30-K33 PolarHBondContact O-N 3.37Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 3.05Å; K33-T35 PolarHBondContact O-N 3.35Å
34L83.4Confident83.5Confident34 Ų3479.4 Ų79.418%0.17845%0.448CS..  trans-62.7122.7177.5-68.7168.7000110.1L9 L23 L31 L38 Y48 Y50L9-L34 HydrophobicContact CD2-CD1 4.02Å; L23-L34 HydrophobicContact CD1-CD1 3.58Å; L31-L34 HydrophobicContact CD2-CD1 4.13Å; L31-L34 WeakPolarHBondContact O-CD1 3.36Å; L31-L34 VanDerWaalsContact O-CG 3.26Å; L31-L34 WeakPolarHBondContact O-CG 3.49Å; L34-L38 HydrophobicContact CD2-CD2 4.31Å; L34-Y48 HydrophobicContact CB-CE1 4.31Å; L34-Y48 HydrophobicContact CD2-CD1 3.83Å; L34-Y48 HydrophobicContact CD2-CE1 3.91Å; L34-Y48 HydrophobicContact CD2-CG 4.26Å; L34-Y50 VanDerWaalsContact CD2-OH 3.27Å; L34-Y50 WeakPolarHBondContact CD2-OH 3.2Å
35T78.8Confident83.3Confident76 Ų7676.4 Ų76.447%0.46644%0.439SS..  trans-127.515017256.60000108.2K33 A37 L38K33-T35 PolarHBondContact O-N 3.35Å; T35-A37 PolarHBondContact O-N 3.44Å; T35-A37 VanDerWaalsContact O-N 3.15Å; T35-L38 VanDerWaalsContact O-CB 3.25Å; T35-L38 WeakPolarHBondContact O-CB 3Å; T35-L38 PolarHBondContact O-N 3.34Å
36E75.8Confident83.2Confident133 Ų13375 Ų7562%0.62144%0.437SS*.THydrogen-bonded Turntrans-65.5-13.9176-65.4172.5-167.700112.2L38 Y41E36-L38 VanDerWaalsContact C-N 3.25Å; E36-L38 PolarHBondContact O-N 3.46Å; E36-Y41 HydrophobicContact CB-CD1 4.08Å; E36-Y41 HydrophobicContact CB-CE1 4.03Å; E36-Y41 HydrophobicContact CG-CD1 4.4Å; E36-Y41 HydrophobicContact CG-CE1 4.01Å
37A67.7Low83.4Confident97 Ų9773.6 Ų73.680%0.80243%0.43SS*.THydrogen-bonded Turntrans-77.3-6.5172.600000113.7T35T35-A37 PolarHBondContact O-N 3.44Å; T35-A37 VanDerWaalsContact O-N 3.15Å
38L77.7Confident83.9Confident65 Ų6569.8 Ų69.834%0.3440%0.403SS..SBendtrans-75.4133.6-179.4-15971.9000110.2L34 T35 E36 N40 Y41L34-L38 HydrophobicContact CD2-CD2 4.31Å; T35-L38 VanDerWaalsContact O-CB 3.25Å; T35-L38 WeakPolarHBondContact O-CB 3Å; T35-L38 PolarHBondContact O-N 3.34Å; E36-L38 VanDerWaalsContact C-N 3.25Å; E36-L38 PolarHBondContact O-N 3.46Å; L38-N40 PolarHBondContact O-N 3.31Å; L38-Y41 WeakPolarHBondContact O-CB 3.33Å; L38-Y41 PolarHBondContact O-N 2.98Å
39A77.3Confident84.4Confident103 Ų10370.6 Ų70.685%0.85139%0.392SS*.THydrogen-bonded Turntrans-57.8-14.6-17700000115.3
40N84.5Confident84.5Confident63 Ų6370.6 Ų70.634%0.33739%0.392SS..THydrogen-bonded Turntrans-90.1-4-179.4-63.9-0.7000113.1L38 Y48 F49 Y50L38-N40 PolarHBondContact O-N 3.31Å; N40-Y48 CarbonylContact O-C 3.57Å; N40-Y48 WeakPolarHBondContact O-CA 3.37Å; N40-F49 WeakPolarHBondContact CB-O 3.32Å; N40-F49 PolarHBondContact O-N 3.45Å; N40-Y50 VanDerWaalsContact ND2-CE1 3.28Å; N40-Y50 WeakPolarHBondContact ND2-CE1 3.48Å
41Y88.4Confident84.7Confident41 Ų4172.2 Ų72.216%0.16141%0.408CS..EExtended strand (participates in β ladder)trans-83.5122.6177.4-178.5-116.6000110.1E36 L38 P43 N46 Y48E36-Y41 HydrophobicContact CB-CD1 4.08Å; E36-Y41 HydrophobicContact CB-CE1 4.03Å; E36-Y41 HydrophobicContact CG-CD1 4.4Å; E36-Y41 HydrophobicContact CG-CE1 4.01Å; L38-Y41 WeakPolarHBondContact O-CB 3.33Å; L38-Y41 PolarHBondContact O-N 2.98Å; Y41-P43 HydrophobicContact CE1-CB 4.35Å; Y41-P43 WeakPolarHBondContact O-CD 3.41Å; Y41-N46 PolarHBondContact OH-OD1 3.16Å; Y41-Y48 HydrophobicContact CD2-CD1 4.02Å; Y41-Y48 HydrophobicContact CD2-CD2 4.01Å; Y41-Y48 AromaticContact CD2-CE1 3.73Å; Y41-Y48 HydrophobicContact CD2-CE1 3.73Å; Y41-Y48 AromaticContact CD2-CE2 3.68Å; Y41-Y48 HydrophobicContact CD2-CE2 3.68Å; Y41-Y48 HydrophobicContact CD2-CG 4.16Å; Y41-Y48 AromaticContact CD2-CZ 3.53Å; Y41-Y48 HydrophobicContact CE2-CE2 4.04Å; Y41-Y48 HydrophobicContact CG-CD1 4.43Å; Y41-Y48 HydrophobicContact CG-CE1 4.04Å
42D87.7Confident84.8Confident55 Ų5575.7 Ų75.729%0.29442%0.421SS..EExtended strand (participates in β ladder)trans-91.2108.6171.7-175.5-7.3000109.3V44 N46 E47D42-V44 PolarHBondContact O-N 2.76Å; D42-V44 WeakPolarHBondContact OD1-CB 3.4Å; D42-V44 PolarHBondContact OD1-N 3.17Å; D42-N46 WeakPolarHBondContact O-CA 3.4Å; D42-N46 PolarHBondContact O-N 3.19Å; D42-E47 PolarHBondContact N-O 2.77Å; D42-E47 PolarHBondContact O-N 3.47Å
43P83.6Confident85.1Confident101 Ų10177 Ų7766%0.65642%0.423SS*.THydrogen-bonded Turntrans-69-18.3-178.429.5-35.7000113Y41Y41-P43 HydrophobicContact CE1-CB 4.35Å; Y41-P43 WeakPolarHBondContact O-CD 3.41Å
44V86.1Confident85.4Confident128 Ų12870.4 Ų70.478%0.77640%0.396SS*.THydrogen-bonded Turntrans-78.5-44.9-178.7-178.30000110.7D42D42-V44 PolarHBondContact O-N 2.76Å; D42-V44 WeakPolarHBondContact OD1-CB 3.4Å; D42-V44 PolarHBondContact OD1-N 3.17Å
45L84.3Confident85.7Confident88 Ų8869.9 Ų69.946%0.46140%0.398SS..THydrogen-bonded Turntrans-93.6-8.2-178.1-67.3177.6000113.2E47L45-E47 HydrophobicContact CB-CG 3.77Å; L45-E47 HydrophobicContact CD1-CG 4.49Å; L45-E47 PolarHBondContact O-N 3.45Å
46N86.7Confident86.3Confident98 Ų9866.3 Ų66.352%0.52438%0.376SS..THydrogen-bonded Turntrans53.543.6-174-171.315.6000111.5Y41 D42Y41-N46 PolarHBondContact OH-OD1 3.16Å; D42-N46 WeakPolarHBondContact O-CA 3.4Å; D42-N46 PolarHBondContact O-N 3.19Å
47E90.9Very high87.2Confident9 Ų960 Ų604%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-133.4152.2-179.872.3-177.6-156.400111.4I8 N10 R15 D42 L45I8-E47 HydrophobicContact CB-CB 3.87Å; I8-E47 HydrophobicContact CG2-CB 3.74Å; I8-E47 WeakPolarHBondContact O-CA 3.42Å; N10-E47 HydrophobicContact CB-CG 4.34Å; N10-E47 PolarHBondContact ND2-OE1 2.97Å; R15-E47 IonicContact CZ-OE2 3.55Å; R15-E47 IonicContact NE-OE2 2.96Å; R15-E47 PolarHBondContact NE-OE2 3.27Å; R15-E47 IonicContact NH2-OE1 3.8Å; R15-E47 IonicContact NH2-OE2 3.37Å; D42-E47 PolarHBondContact N-O 2.77Å; D42-E47 PolarHBondContact O-N 3.47Å; L45-E47 HydrophobicContact CB-CG 3.77Å; L45-E47 HydrophobicContact CD1-CG 4.49Å; L45-E47 PolarHBondContact O-N 3.45Å
48Y91.2Very high88.4Confident19 Ų1957.7 Ų57.78%0.07533%0.325CS..EExtended strand (participates in β ladder)trans-96.8124.7172.4-65.2-96000109.8V7 I8 L9 N10 L34 N40 Y41V7-Y48 HydrophobicContact CG1-CD2 3.76Å; V7-Y48 HydrophobicContact CG1-CE2 3.76Å; I8-Y48 PolarHBondContact O-N 3.06Å; L9-Y48 CarbonylContact C-O 3.57Å; L9-Y48 HydrophobicContact CD2-CD2 3.92Å; L9-Y48 HydrophobicContact CD2-CG 4.09Å; N10-Y48 PolarHBondContact N-O 3.13Å; L34-Y48 HydrophobicContact CB-CE1 4.31Å; L34-Y48 HydrophobicContact CD2-CD1 3.83Å; L34-Y48 HydrophobicContact CD2-CE1 3.91Å; L34-Y48 HydrophobicContact CD2-CG 4.26Å; N40-Y48 CarbonylContact O-C 3.57Å; N40-Y48 WeakPolarHBondContact O-CA 3.37Å; Y41-Y48 HydrophobicContact CD2-CD1 4.02Å; Y41-Y48 HydrophobicContact CD2-CD2 4.01Å; Y41-Y48 AromaticContact CD2-CE1 3.73Å; Y41-Y48 HydrophobicContact CD2-CE1 3.73Å; Y41-Y48 AromaticContact CD2-CE2 3.68Å; Y41-Y48 HydrophobicContact CD2-CE2 3.68Å; Y41-Y48 HydrophobicContact CD2-CG 4.16Å; Y41-Y48 AromaticContact CD2-CZ 3.53Å; Y41-Y48 HydrophobicContact CE2-CE2 4.04Å; Y41-Y48 HydrophobicContact CG-CD1 4.43Å; Y41-Y48 HydrophobicContact CG-CE1 4.04Å
49F91.5Very high89Confident94 Ų9457.2 Ų57.241%0.41232%0.321SS..EExtended strand (participates in β ladder)trans-99.1129.4179.8-178.8-103.9000112.6N10 N40 D51N10-F49 HydrophobicContact CB-CD2 4.18Å; N10-F49 CarbonylContact O-C 3.58Å; N10-F49 WeakPolarHBondContact O-CA 3.46Å; N40-F49 WeakPolarHBondContact CB-O 3.32Å; N40-F49 PolarHBondContact O-N 3.45Å; F49-D51 HydrophobicContact CE1-CB 4.04Å; F49-D51 HydrophobicContact CZ-CB 4.25Å
50Y92.1Very high89.8Confident5 Ų552.3 Ų52.32%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-130.2119.6173.6-66.2-85.5000110.6N10 V11 G12 L34 N40 R52 F86 W87N10-Y50 PolarHBondContact O-N 3.42Å; V11-Y50 CarbonylContact C-O 3.53Å; V11-Y50 VanDerWaalsContact CA-O 3.32Å; V11-Y50 WeakPolarHBondContact CA-O 3.43Å; V11-Y50 HydrophobicContact CG2-CD2 4.43Å; G12-Y50 PolarHBondContact N-O 2.98Å; L34-Y50 VanDerWaalsContact CD2-OH 3.27Å; L34-Y50 WeakPolarHBondContact CD2-OH 3.2Å; N40-Y50 VanDerWaalsContact ND2-CE1 3.28Å; N40-Y50 WeakPolarHBondContact ND2-CE1 3.48Å; Y50-R52 VanDerWaalsContact C-N 3.28Å; Y50-R52 PolarHBondContact O-N 2.82Å; Y50-F86 HydrophobicContact CD1-CE1 4.08Å; Y50-F86 HydrophobicContact CD1-CZ 4.03Å; Y50-F86 HydrophobicContact CE1-CE1 4.37Å; Y50-F86 HydrophobicContact CE1-CZ 4.31Å; Y50-W87 AromaticContact CD1-CH2 3.74Å; Y50-W87 HydrophobicContact CD1-CH2 3.74Å; Y50-W87 HydrophobicContact CD1-CZ3 4.15Å; Y50-W87 AromaticContact CD2-CH2 3.72Å; Y50-W87 HydrophobicContact CD2-CH2 3.72Å; Y50-W87 HydrophobicContact CD2-CZ3 4.27Å; Y50-W87 HydrophobicContact CE1-CH2 4.03Å; Y50-W87 AromaticContact CE1-CZ3 3.96Å; Y50-W87 HydrophobicContact CE1-CZ3 3.96Å; Y50-W87 HydrophobicContact CE2-CH2 4.02Å; Y50-W87 HydrophobicContact CE2-CZ3 4.09Å; Y50-W87 AromaticContact CG-CH2 3.57Å; Y50-W87 HydrophobicContact CG-CH2 3.57Å; Y50-W87 HydrophobicContact CG-CZ2 4.43Å; Y50-W87 HydrophobicContact CG-CZ3 4.3Å; Y50-W87 AromaticContact CZ-CZ3 3.94Å
51D91.8Very high90.2Very high135 Ų13549.4 Ų49.472%0.72227%0.265SS*.  trans-81.471.7176.1-16821.5000111.1F49F49-D51 HydrophobicContact CE1-CB 4.04Å; F49-D51 HydrophobicContact CZ-CB 4.25Å
52R91.4Very high90.4Very high76 Ų7650 Ų5029%0.28727%0.271SS..SBendtrans-140.1175.3-175.2-74.6-161.7167.5-104.3-2.8112.8V11 G12 Y50 P54 E83 F86V11-R52 HydrophobicContact CG1-CB 4.09Å; G12-R52 WeakPolarHBondContact CA-O 3.27Å; G12-R52 PolarHBondContact N-O 2.81Å; Y50-R52 VanDerWaalsContact C-N 3.28Å; Y50-R52 PolarHBondContact O-N 2.82Å; R52-P54 VanDerWaalsContact O-CD 3.24Å; R52-P54 WeakPolarHBondContact O-CD 3.48Å; R52-E83 WeakPolarHBondContact CD-OE1 3.43Å; R52-E83 IonicContact CZ-OE1 2.88Å; R52-E83 IonicContact NH1-OE1 3.7Å; R52-E83 PolarHBondContact NH1-OE1 2.81Å; R52-E83 IonicContact NH1-OE2 3.72Å; R52-F86 VanDerWaalsContact CZ-CB 3.5Å; R52-F86 VanDerWaalsContact NE-CE1 3.28Å
53H91.5Very high90.6Very high54 Ų5448.1 Ų48.125%0.2526%0.26CS..  trans-67.9112.2-173.9-167.2-62.2000112G55 V56 F57H53-G55 PolarHBondContact ND1-N 3.07Å; H53-G55 VanDerWaalsContact ND1-N 3.1Å; H53-G55 PolarHBondContact O-N 2.9Å; H53-V56 HydrophobicContact CB-CB 4.39Å; H53-V56 HydrophobicContact CB-CG2 4.29Å; H53-V56 PolarHBondContact ND1-N 2.88Å; H53-V56 PolarHBondContact O-N 2.99Å; H53-F57 PolarHBondContact O-N 3.43Å
54P91.2Very high91.1Very high5 Ų543.4 Ų43.43%0.03223%0.229CC..Hα-helixtrans-66.8-36.2-174.524.3-32.6000113.2I14 R52 F57 S58 Y578I14-P54 HydrophobicContact CB-CB 4.01Å; I14-P54 HydrophobicContact CD1-CB 3.63Å; I14-P54 HydrophobicContact CD1-CG 3.97Å; I14-P54 HydrophobicContact CG1-CB 3.74Å; I14-P54 HydrophobicContact CG1-CG 4.23Å; R52-P54 VanDerWaalsContact O-CD 3.24Å; R52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-F57 PolarHBondContact O-N 2.77Å; P54-S58 PolarHBondContact O-N 3.25Å; P54-Y578 HydrophobicContact CG-CD2 4.45Å; P54-Y578 HydrophobicContact CG-CG 4.45Å
55G89.6Confident91.4Very high23 Ų2342.7 Ų42.724%0.23721%0.212CC..Hα-helixtrans-60.7-46.917900000113.7H53 F57 S58H53-G55 PolarHBondContact ND1-N 3.07Å; H53-G55 VanDerWaalsContact ND1-N 3.1Å; H53-G55 PolarHBondContact O-N 2.9Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 2.83Å; G55-S58 WeakPolarHBondContact O-CB 3.47Å; G55-S58 PolarHBondContact O-N 3.39Å
56V92.3Very high91.7Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-65.3-39.2177177.50000111.3H53 S58 Q59 I60 V75 F80 E83H53-V56 HydrophobicContact CB-CB 4.39Å; H53-V56 HydrophobicContact CB-CG2 4.29Å; H53-V56 PolarHBondContact ND1-N 2.88Å; H53-V56 PolarHBondContact O-N 2.99Å; V56-S58 VanDerWaalsContact C-N 3.25Å; V56-S58 PolarHBondContact O-N 3.24Å; V56-Q59 PolarHBondContact O-N 3.38Å; V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 PolarHBondContact O-N 3.29Å; V56-I60 VanDerWaalsContact O-N 3.13Å; V56-V75 HydrophobicContact CG2-CB 4.4Å; V56-V75 HydrophobicContact CG2-CG1 3.73Å; V56-V75 HydrophobicContact CG2-CG2 3.85Å; V56-F80 HydrophobicContact CG1-CD2 3.57Å; V56-F80 HydrophobicContact CG1-CE2 3.9Å; V56-F80 HydrophobicContact CG2-CD2 4.47Å; V56-E83 HydrophobicContact CB-CG 4.21Å; V56-E83 HydrophobicContact CG1-CB 3.6Å; V56-E83 HydrophobicContact CG1-CG 3.79Å
57F93.8Very high91.9Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-60.7-33178.5-173.7-100.4000113.4L9 V11 H16 L31 H53 P54 G55 Q59 I60 L61 W87L9-F57 HydrophobicContact CB-CE1 4.28Å; L9-F57 HydrophobicContact CB-CZ 4.21Å; L9-F57 HydrophobicContact CD1-CE1 4.29Å; L9-F57 HydrophobicContact CD1-CZ 3.67Å; V11-F57 HydrophobicContact CB-CB 4.23Å; V11-F57 HydrophobicContact CB-CD1 4.02Å; V11-F57 HydrophobicContact CB-CG 4.01Å; V11-F57 HydrophobicContact CG1-CB 3.85Å; V11-F57 HydrophobicContact CG1-CD2 4.41Å; V11-F57 HydrophobicContact CG1-CG 4Å; V11-F57 HydrophobicContact CG2-CB 4.36Å; V11-F57 HydrophobicContact CG2-CD1 3.5Å; V11-F57 VanDerWaalsContact CG2-CD1 3.5Å; V11-F57 HydrophobicContact CG2-CD2 3.85Å; V11-F57 HydrophobicContact CG2-CE1 3.64Å; V11-F57 HydrophobicContact CG2-CE2 3.96Å; V11-F57 HydrophobicContact CG2-CG 3.61Å; V11-F57 HydrophobicContact CG2-CZ 3.87Å; H16-F57 HydrophobicContact CB-CD1 4.35Å; H16-F57 HydrophobicContact CB-CE1 3.84Å; H16-F57 AromaticContact CD2-CD1 3.46Å; H16-F57 VanDerWaalsContact CD2-CD1 3.46Å; H16-F57 WeakPolarHBondContact CD2-CD1 3.45Å; H16-F57 AromaticContact CD2-CE1 3.78Å; H16-F57 AromaticContact CG-CD1 3.74Å; H16-F57 AromaticContact CG-CE1 3.74Å; H16-F57 AromaticContact NE2-CD1 3.69Å; L31-F57 HydrophobicContact CD1-CE2 3.98Å; L31-F57 HydrophobicContact CD1-CZ 4.24Å; H53-F57 PolarHBondContact O-N 3.43Å; P54-F57 PolarHBondContact O-N 2.77Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 2.83Å; F57-Q59 VanDerWaalsContact C-N 3.26Å; F57-Q59 PolarHBondContact O-N 2.81Å; F57-I60 PolarHBondContact O-N 3.28Å; F57-L61 HydrophobicContact CE1-CB 4.32Å; F57-L61 HydrophobicContact CE1-CD2 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.24Å; F57-L61 PolarHBondContact O-N 2.87Å; F57-W87 HydrophobicContact CD2-CD2 4.44Å; F57-W87 AromaticContact CD2-CE2 3.71Å; F57-W87 AromaticContact CD2-CH2 3.87Å; F57-W87 HydrophobicContact CD2-CH2 3.87Å; F57-W87 AromaticContact CD2-CZ2 3.39Å; F57-W87 HydrophobicContact CD2-CZ2 3.39Å; F57-W87 HydrophobicContact CE2-CD2 4.39Å; F57-W87 HydrophobicContact CE2-CE3 4.38Å; F57-W87 AromaticContact CE2-CH2 3.58Å; F57-W87 HydrophobicContact CE2-CH2 3.58Å; F57-W87 AromaticContact CE2-CZ2 3.62Å; F57-W87 HydrophobicContact CE2-CZ2 3.62Å; F57-W87 HydrophobicContact CE2-CZ3 4.01Å; F57-W87 HydrophobicContact CG-CZ2 4.5Å
58S92.1Very high91.9Very high49 Ų4945 Ų4534%0.34324%0.235SC..Hα-helixtrans-56.8-41.4173.4-172.90000112.1P54 G55 V56 L61 N62P54-S58 PolarHBondContact O-N 3.25Å; G55-S58 WeakPolarHBondContact O-CB 3.47Å; G55-S58 PolarHBondContact O-N 3.39Å; V56-S58 VanDerWaalsContact C-N 3.25Å; V56-S58 PolarHBondContact O-N 3.24Å; S58-L61 PolarHBondContact O-N 2.73Å; S58-N62 WeakPolarHBondContact O-CB 3.41Å; S58-N62 VanDerWaalsContact O-CG 3.27Å; S58-N62 PolarHBondContact O-N 2.97Å; S58-N62 PolarHBondContact O-ND2 3.2Å
59Q91.6Very high92Very high55 Ų5544.1 Ų44.126%0.25723%0.232SC..Hα-helixtrans-72.6-38.3177.9-59.6-62.92100112.6V56 F57 L61 N62 Y63 P72V56-Q59 PolarHBondContact O-N 3.38Å; F57-Q59 VanDerWaalsContact C-N 3.26Å; F57-Q59 PolarHBondContact O-N 2.81Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 3.39Å; Q59-N62 PolarHBondContact O-N 2.9Å; Q59-N62 PolarHBondContact OE1-ND2 3.04Å; Q59-Y63 PolarHBondContact O-N 3.19Å; Q59-P72 HydrophobicContact CG-CB 4.2Å; Q59-P72 HydrophobicContact CG-CG 4.18Å
60I93.2Very high92Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-60.5-45.5172.9-69.4153.8000110.3V56 F57 N62 Y63 Y64 E83 L84 W87 L89V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 PolarHBondContact O-N 3.29Å; V56-I60 VanDerWaalsContact O-N 3.13Å; F57-I60 PolarHBondContact O-N 3.28Å; I60-N62 VanDerWaalsContact C-N 3.32Å; I60-N62 PolarHBondContact O-N 3.39Å; I60-Y63 VanDerWaalsContact O-CB 3.29Å; I60-Y63 WeakPolarHBondContact O-CB 3.5Å; I60-Y63 PolarHBondContact O-N 3.1Å; I60-Y63 VanDerWaalsContact O-N 3.14Å; I60-Y64 HydrophobicContact CG2-CD2 4.45Å; I60-Y64 HydrophobicContact CG2-CE2 3.91Å; I60-Y64 WeakPolarHBondContact O-CD2 3.44Å; I60-Y64 PolarHBondContact O-N 3.44Å; I60-E83 HydrophobicContact CD1-CB 4.37Å; I60-L84 HydrophobicContact CG1-CD2 4.42Å; I60-W87 HydrophobicContact CD1-CG 4.07Å; I60-W87 HydrophobicContact CG2-CB 4.45Å; I60-W87 HydrophobicContact CG2-CG 4.28Å; I60-L89 HydrophobicContact CG1-CD1 4.31Å; I60-L89 HydrophobicContact CG2-CD1 3.87Å
61L93Very high91.9Very high2 Ų243.9 Ų43.91%0.0123%0.231CC..Hα-helixtrans-65.6-37.4178.1-175.360.7000111.9H16 T18 L23 F57 S58 Q59 Y63 Y64 R65H16-L61 HydrophobicContact CB-CD2 3.91Å; T18-L61 HydrophobicContact CG2-CD1 4.15Å; L23-L61 HydrophobicContact CD2-CD1 4.33Å; F57-L61 HydrophobicContact CE1-CB 4.32Å; F57-L61 HydrophobicContact CE1-CD2 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.24Å; F57-L61 PolarHBondContact O-N 2.87Å; S58-L61 PolarHBondContact O-N 2.73Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 3.39Å; L61-Y63 VanDerWaalsContact C-N 3.28Å; L61-Y63 PolarHBondContact O-N 3.45Å; L61-Y64 PolarHBondContact O-N 3.49Å; L61-R65 WeakPolarHBondContact O-CG 3.38Å; L61-R65 PolarHBondContact O-N 3.24Å
62N91.9Very high91.9Very high53 Ų5337.9 Ų37.928%0.28320%0.199SC..Hα-helixtrans-60.8-37.7172.6-75.3-19.3000111.6S58 Q59 I60 Y64 R65 T66S58-N62 WeakPolarHBondContact O-CB 3.41Å; S58-N62 VanDerWaalsContact O-CG 3.27Å; S58-N62 PolarHBondContact O-N 2.97Å; S58-N62 PolarHBondContact O-ND2 3.2Å; Q59-N62 PolarHBondContact O-N 2.9Å; Q59-N62 PolarHBondContact OE1-ND2 3.04Å; I60-N62 VanDerWaalsContact C-N 3.32Å; I60-N62 PolarHBondContact O-N 3.39Å; N62-Y64 VanDerWaalsContact C-N 3.35Å; N62-Y64 PolarHBondContact O-N 2.9Å; N62-R65 WeakPolarHBondContact O-CA 3.04Å; N62-R65 WeakPolarHBondContact O-CB 3.11Å; N62-R65 PolarHBondContact O-N 3.38Å; N62-T66 PolarHBondContact O-N 3.02Å; N62-T66 PolarHBondContact O-OG1 2.74Å
63Y93.5Very high91.6Very high17 Ų1740.4 Ų40.47%0.06722%0.223CC..Hα-helixtrans-58.1-41.7174176.1-118.7000112.9I26 Q59 I60 L61 R65 G67 L69 L89 Q93I26-Y63 HydrophobicContact CD1-CD1 3.62Å; I26-Y63 HydrophobicContact CD1-CE1 3.16Å; I26-Y63 HydrophobicContact CD1-CE2 4.41Å; I26-Y63 HydrophobicContact CD1-CG 4.41Å; Q59-Y63 PolarHBondContact O-N 3.19Å; I60-Y63 VanDerWaalsContact O-CB 3.29Å; I60-Y63 WeakPolarHBondContact O-CB 3.5Å; I60-Y63 PolarHBondContact O-N 3.1Å; I60-Y63 VanDerWaalsContact O-N 3.14Å; L61-Y63 VanDerWaalsContact C-N 3.28Å; L61-Y63 PolarHBondContact O-N 3.45Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 3.2Å; Y63-G67 WeakPolarHBondContact CE2-O 3.4Å; Y63-G67 WeakPolarHBondContact O-CA 3.2Å; Y63-G67 PolarHBondContact O-N 3.39Å; Y63-L69 HydrophobicContact CD2-CB 3.57Å; Y63-L69 HydrophobicContact CD2-CD1 4.46Å; Y63-L69 HydrophobicContact CE2-CB 3.96Å; Y63-L69 HydrophobicContact CG-CB 4.05Å; Y63-L69 HydrophobicContact CG-CD1 4.08Å; Y63-L89 HydrophobicContact CD1-CD1 3.91Å; Y63-L89 HydrophobicContact CD1-CD2 3.94Å; Y63-L89 HydrophobicContact CE1-CD1 4.33Å; Y63-L89 HydrophobicContact CE1-CD2 3.63Å; Y63-Q93 HydrophobicContact CE2-CB 4.46Å
64Y92.5Very high91.4Very high1 Ų142 Ų420%0.00423%0.234CC..Hα-helixtrans-66.7-29.6173.2-69.7-95.5000112.8L23 K25 I26 T29 L31 I60 L61 N62L23-Y64 HydrophobicContact CD2-CD1 4.37Å; L23-Y64 HydrophobicContact CD2-CG 4.36Å; K25-Y64 VanDerWaalsContact CD-O 3.27Å; K25-Y64 WeakPolarHBondContact CD-O 3.4Å; I26-Y64 HydrophobicContact CB-CD1 4.32Å; I26-Y64 HydrophobicContact CB-CE1 4.07Å; I26-Y64 HydrophobicContact CD1-CD1 4.25Å; I26-Y64 HydrophobicContact CD1-CE1 4.47Å; I26-Y64 HydrophobicContact CG1-CD1 4.24Å; I26-Y64 HydrophobicContact CG1-CE1 4.44Å; T29-Y64 WeakPolarHBondContact CB-OH 3.27Å; T29-Y64 HydrophobicContact CG2-CE1 4.35Å; T29-Y64 WeakPolarHBondContact CG2-OH 3.26Å; T29-Y64 PolarHBondContact OG1-OH 2.85Å; L31-Y64 HydrophobicContact CB-CE1 4.39Å; L31-Y64 HydrophobicContact CD1-CD2 4.31Å; L31-Y64 HydrophobicContact CD1-CE2 3.67Å; I60-Y64 HydrophobicContact CG2-CD2 4.45Å; I60-Y64 HydrophobicContact CG2-CE2 3.91Å; I60-Y64 WeakPolarHBondContact O-CD2 3.44Å; I60-Y64 PolarHBondContact O-N 3.44Å; L61-Y64 PolarHBondContact O-N 3.49Å; N62-Y64 VanDerWaalsContact C-N 3.35Å; N62-Y64 PolarHBondContact O-N 2.9Å
65R92.6Very high91.2Very high114 Ų11442.5 Ų42.543%0.4324%0.236SC..Hα-helixtrans-76.1-49.3-179.9-69.2170175.3171.4-5111.4E17 T22 K25 L61 N62 Y63E17-R65 PolarHBondContact O-NH2 3.45Å; T22-R65 HydrophobicContact CG2-CG 3.94Å; K25-R65 PolarHBondContact NZ-O 3.26Å; L61-R65 WeakPolarHBondContact O-CG 3.38Å; L61-R65 PolarHBondContact O-N 3.24Å; N62-R65 WeakPolarHBondContact O-CA 3.04Å; N62-R65 WeakPolarHBondContact O-CB 3.11Å; N62-R65 PolarHBondContact O-N 3.38Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 3.2Å
66T92Very high91.1Very high88 Ų8844.7 Ų44.754%0.5425%0.247SC..Hα-helixtrans-97-23.6-170.364.60000113.9N62 K68N62-T66 PolarHBondContact O-N 3.02Å; N62-T66 PolarHBondContact O-OG1 2.74Å; T66-K68 PolarHBondContact OG1-N 2.77Å; T66-K68 PolarHBondContact OG1-O 3.06Å
67G89.7Confident90.8Very high49 Ų4944.9 Ų44.951%0.50525%0.249SC..SBendtrans76.74.8-168.200000114.3Y63Y63-G67 WeakPolarHBondContact CE2-O 3.4Å; Y63-G67 WeakPolarHBondContact O-CA 3.2Å; Y63-G67 PolarHBondContact O-N 3.39Å
68K91.5Very high90.5Very high107 Ų10747.2 Ų47.247%0.46526%0.264SS..  trans-122126.3-175.9-61.8-164.6174.7-1670111.5T66 E95T66-K68 PolarHBondContact OG1-N 2.77Å; T66-K68 PolarHBondContact OG1-O 3.06Å; K68-E95 HydrophobicContact CB-CG 3.82Å; K68-E95 HydrophobicContact CD-CG 4.37Å; K68-E95 HydrophobicContact CG-CG 4.36Å; K68-E95 VanDerWaalsContact CG-OE1 3.3Å; K68-E95 WeakPolarHBondContact CG-OE1 3.43Å
69L92.6Very high90.4Very high0 Ų047.2 Ų47.20%026%0.26CS..BIsolated β-bridgetrans-101.5114.5-175.5-176.166000110.1Y63 F80 L84 Q93 V94 E95Y63-L69 HydrophobicContact CD2-CB 3.57Å; Y63-L69 HydrophobicContact CD2-CD1 4.46Å; Y63-L69 HydrophobicContact CE2-CB 3.96Å; Y63-L69 HydrophobicContact CG-CB 4.05Å; Y63-L69 HydrophobicContact CG-CD1 4.08Å; L69-F80 HydrophobicContact CD1-CZ 4.2Å; L69-F80 HydrophobicContact CG-CZ 4.4Å; L69-L84 HydrophobicContact CD1-CD2 4.25Å; L69-L84 HydrophobicContact CD2-CD1 4.17Å; L69-L84 HydrophobicContact CD2-CD2 3.86Å; L69-Q93 WeakPolarHBondContact CB-O 3.21Å; L69-Q93 HydrophobicContact CD2-CB 4.38Å; L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.19Å; L69-V94 WeakPolarHBondContact O-CA 3.25Å; L69-E95 PolarHBondContact O-N 3.08Å
70H92Very high90.4Very high73 Ų7344.6 Ų44.634%0.33825%0.248SC..  trans-107140.1177.2-69.1-73.9000111.4C97H70-C97 PolarHBondContact CE1-SG 3.09Å; H70-C97 PolarHBondContact ND1-SG 3.36Å
71Y90.8Very high90.2Very high21 Ų2147.3 Ų47.38%0.08226%0.261CS..  trans-82.4127.9177.2-179.8-99.5000111.1V75 C76 G77 F80 C98 T101 Y102Y71-V75 PolarHBondContact OH-O 3.19Å; Y71-C76 VanDerWaalsContact OH-C 3.24Å; Y71-G77 WeakPolarHBondContact OH-CA 3.44Å; Y71-G77 PolarHBondContact OH-N 3.37Å; Y71-F80 HydrophobicContact CD2-CB 4.26Å; Y71-F80 AromaticContact CD2-CD1 3.52Å; Y71-F80 HydrophobicContact CD2-CD1 3.52Å; Y71-F80 HydrophobicContact CD2-CD2 4.49Å; Y71-F80 AromaticContact CD2-CE1 3.87Å; Y71-F80 HydrophobicContact CD2-CE1 3.87Å; Y71-F80 AromaticContact CD2-CG 3.85Å; Y71-F80 HydrophobicContact CD2-CG 3.85Å; Y71-F80 HydrophobicContact CE2-CB 3.77Å; Y71-F80 AromaticContact CE2-CD1 3.88Å; Y71-F80 HydrophobicContact CE2-CD1 3.88Å; Y71-F80 AromaticContact CE2-CG 3.89Å; Y71-F80 HydrophobicContact CE2-CG 3.89Å; Y71-C98 PolarHBondContact N-SG 3.44Å; Y71-T101 HydrophobicContact CD1-CG2 3.94Å; Y71-T101 HydrophobicContact CE1-CG2 3.85Å; Y71-Y102 AromaticContact CD2-CD2 3.78Å; Y71-Y102 HydrophobicContact CD2-CD2 3.78Å; Y71-Y102 HydrophobicContact CD2-CG 4.34Å; Y71-Y102 AromaticContact CE2-CD2 3.94Å; Y71-Y102 HydrophobicContact CE2-CD2 3.94Å
72P90.5Very high90Very high8 Ų850.7 Ų50.75%0.05228%0.276CS..  trans-77.6127.2174.528.1-29.2000112.1Q59 D74 V75 F80Q59-P72 HydrophobicContact CG-CB 4.2Å; Q59-P72 HydrophobicContact CG-CG 4.18Å; P72-D74 VanDerWaalsContact C-N 3.26Å; P72-D74 WeakPolarHBondContact CB-OD1 3.4Å; P72-D74 PolarHBondContact O-N 2.75Å; P72-V75 HydrophobicContact CB-CG2 4.06Å; P72-V75 HydrophobicContact CG-CB 3.97Å; P72-V75 HydrophobicContact CG-CG2 3.75Å; P72-V75 PolarHBondContact O-N 3.15Å; P72-F80 HydrophobicContact CG-CD2 4.14Å; P72-F80 HydrophobicContact CG-CE2 4.25Å
73V85.9Confident90Very high130 Ų13048.6 Ų48.679%0.78827%0.265SS*.THydrogen-bonded Turntrans-69.5-18.6-176.8-65.90000114.4
74D88.1Confident90Very high88 Ų8847.8 Ų47.847%0.47126%0.262SS..THydrogen-bonded Turntrans-89.30.3-178.663.3-44.7000113.8P72 T586P72-D74 VanDerWaalsContact C-N 3.26Å; P72-D74 WeakPolarHBondContact CB-OD1 3.4Å; P72-D74 PolarHBondContact O-N 2.75Å; D74-T586 WeakPolarHBondContact O-CG2 3.48Å
75V86.8Confident89.9Confident14 Ų1455 Ų559%0.08530%0.295CS..SBendtrans-113154.4-177.8-176.50000109.7V56 Y71 P72 L79 F80V56-V75 HydrophobicContact CG2-CB 4.4Å; V56-V75 HydrophobicContact CG2-CG1 3.73Å; V56-V75 HydrophobicContact CG2-CG2 3.85Å; Y71-V75 PolarHBondContact OH-O 3.19Å; P72-V75 HydrophobicContact CB-CG2 4.06Å; P72-V75 HydrophobicContact CG-CB 3.97Å; P72-V75 HydrophobicContact CG-CG2 3.75Å; P72-V75 PolarHBondContact O-N 3.15Å; V75-L79 HydrophobicContact CG1-CB 4.19Å; V75-L79 HydrophobicContact CG1-CD2 3.8Å; V75-L79 HydrophobicContact CG1-CG 3.98Å; V75-F80 HydrophobicContact CG1-CB 4.36Å
76C86.8Confident89.9Confident70 Ų7051.2 Ų51.247%0.47328%0.282SS..  trans-85.2141.9174.9-163.30000111Y71 P78 L79 F80Y71-C76 VanDerWaalsContact OH-C 3.24Å; C76-P78 VanDerWaalsContact SG-CD 3.53Å; C76-L79 HydrophobicContact CB-CB 4.43Å; C76-L79 WeakPolarHBondContact O-CB 3.5Å; C76-L79 PolarHBondContact O-N 2.92Å; C76-L79 VanDerWaalsContact O-N 3.1Å; C76-F80 PolarHBondContact O-N 3.5Å; C76-F80 VanDerWaalsContact O-N 3.08Å
77G86.5Confident89.9Confident3 Ų347 Ų473%0.03126%0.256CS..Hα-helixtrans-51.1-49-177.300000115Y71 L79 F80 E81Y71-G77 WeakPolarHBondContact OH-CA 3.44Å; Y71-G77 PolarHBondContact OH-N 3.37Å; G77-L79 PolarHBondContact O-N 3.26Å; G77-F80 WeakPolarHBondContact O-CB 3.29Å; G77-F80 PolarHBondContact O-N 3.33Å; G77-E81 PolarHBondContact O-N 3.3Å
78P86.7Confident89.8Confident50 Ų5046.8 Ų46.833%0.32525%0.254SS..Hα-helixtrans-62.3-39.4177.5-24.134.8000113.5C76 F80 E81 E82 H105C76-P78 VanDerWaalsContact SG-CD 3.53Å; P78-F80 VanDerWaalsContact C-N 3.29Å; P78-F80 PolarHBondContact O-N 3.39Å; P78-E81 PolarHBondContact O-N 2.92Å; P78-E82 WeakPolarHBondContact O-CG 3.46Å; P78-E82 PolarHBondContact O-N 3.18Å; P78-H105 HydrophobicContact CG-CB 4.49Å
79L89.2Confident89.8Confident49 Ų4942.4 Ų42.426%0.25724%0.236SC..Hα-helixtrans-63.7-39177173.561.8000110.9V75 C76 G77 E83V75-L79 HydrophobicContact CG1-CB 4.19Å; V75-L79 HydrophobicContact CG1-CD2 3.8Å; V75-L79 HydrophobicContact CG1-CG 3.98Å; C76-L79 HydrophobicContact CB-CB 4.43Å; C76-L79 WeakPolarHBondContact O-CB 3.5Å; C76-L79 PolarHBondContact O-N 2.92Å; C76-L79 VanDerWaalsContact O-N 3.1Å; G77-L79 PolarHBondContact O-N 3.26Å; L79-E83 WeakPolarHBondContact O-CG 3.48Å; L79-E83 PolarHBondContact O-N 3.49Å
80F91.7Very high89.6Confident0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-67.9-41.1175.5-173.3-110.5000112V56 L69 Y71 P72 V75 C76 G77 P78 E83 L84 V94 Y102V56-F80 HydrophobicContact CG1-CD2 3.57Å; V56-F80 HydrophobicContact CG1-CE2 3.9Å; V56-F80 HydrophobicContact CG2-CD2 4.47Å; L69-F80 HydrophobicContact CD1-CZ 4.2Å; L69-F80 HydrophobicContact CG-CZ 4.4Å; Y71-F80 HydrophobicContact CD2-CB 4.26Å; Y71-F80 AromaticContact CD2-CD1 3.52Å; Y71-F80 HydrophobicContact CD2-CD1 3.52Å; Y71-F80 HydrophobicContact CD2-CD2 4.49Å; Y71-F80 AromaticContact CD2-CE1 3.87Å; Y71-F80 HydrophobicContact CD2-CE1 3.87Å; Y71-F80 AromaticContact CD2-CG 3.85Å; Y71-F80 HydrophobicContact CD2-CG 3.85Å; Y71-F80 HydrophobicContact CE2-CB 3.77Å; Y71-F80 AromaticContact CE2-CD1 3.88Å; Y71-F80 HydrophobicContact CE2-CD1 3.88Å; Y71-F80 AromaticContact CE2-CG 3.89Å; Y71-F80 HydrophobicContact CE2-CG 3.89Å; P72-F80 HydrophobicContact CG-CD2 4.14Å; P72-F80 HydrophobicContact CG-CE2 4.25Å; V75-F80 HydrophobicContact CG1-CB 4.36Å; C76-F80 PolarHBondContact O-N 3.5Å; C76-F80 VanDerWaalsContact O-N 3.08Å; G77-F80 WeakPolarHBondContact O-CB 3.29Å; G77-F80 PolarHBondContact O-N 3.33Å; P78-F80 VanDerWaalsContact C-N 3.29Å; P78-F80 PolarHBondContact O-N 3.39Å; F80-E83 PolarHBondContact O-N 3.46Å; F80-L84 HydrophobicContact CD1-CD1 3.85Å; F80-L84 HydrophobicContact CD1-CG 4.2Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.26Å; F80-L84 HydrophobicContact CE1-CG 3.96Å; F80-L84 HydrophobicContact CZ-CD1 4.14Å; F80-L84 HydrophobicContact CZ-CD2 4.04Å; F80-L84 HydrophobicContact CZ-CG 4.19Å; F80-L84 WeakPolarHBondContact O-CG 3.19Å; F80-L84 PolarHBondContact O-N 3.45Å; F80-V94 HydrophobicContact CE1-CG2 4.3Å; F80-Y102 AromaticContact CD1-CD2 3.93Å; F80-Y102 HydrophobicContact CD1-CD2 3.93Å; F80-Y102 AromaticContact CD1-CE2 3.89Å; F80-Y102 HydrophobicContact CD1-CE2 3.89Å; F80-Y102 HydrophobicContact CE1-CD2 4.46Å
81E89.2Confident89.3Confident57 Ų5743.3 Ų43.327%0.26625%0.245SC..Hα-helixtrans-62.6-43.5176.7-173.3164.7-155.700112.2G77 P78 E83 L84 E85 H105 R106G77-E81 PolarHBondContact O-N 3.3Å; P78-E81 PolarHBondContact O-N 2.92Å; E81-E83 VanDerWaalsContact C-N 3.29Å; E81-E83 PolarHBondContact O-N 3.3Å; E81-L84 PolarHBondContact O-N 3.14Å; E81-E85 WeakPolarHBondContact O-CB 3.44Å; E81-E85 PolarHBondContact O-N 3.25Å; E81-H105 IonicContact OE2-CE1 2.65Å; E81-H105 IonicContact OE2-NE2 3.06Å; E81-H105 PolarHBondContact OE2-NE2 3.08Å; E81-R106 IonicContact OE1-CZ 2.66Å; E81-R106 IonicContact OE1-NE 3.32Å; E81-R106 IonicContact OE1-NH2 3.67Å; E81-R106 PolarHBondContact OE1-NH2 3.13Å
82E89.9Confident89.1Confident72 Ų7247 Ų4734%0.33627%0.266SS..Hα-helixtrans-60-37.6173.9-74.9175.3-162.600112.6P78 F86 V495P78-E82 WeakPolarHBondContact O-CG 3.46Å; P78-E82 PolarHBondContact O-N 3.18Å; E82-F86 WeakPolarHBondContact O-CB 3.46Å; E82-F86 PolarHBondContact O-N 3.27Å; E82-V495 WeakPolarHBondContact OE1-CG2 3.26Å
83E92.3Very high89Confident9 Ų951.1 Ų51.14%0.04228%0.284CS..Hα-helixtrans-69-47.2174.7-73.7-63.713400111R52 V56 I60 L79 F80 E81 E85 F86 W87R52-E83 WeakPolarHBondContact CD-OE1 3.43Å; R52-E83 IonicContact CZ-OE1 2.88Å; R52-E83 IonicContact NH1-OE1 3.7Å; R52-E83 PolarHBondContact NH1-OE1 2.81Å; R52-E83 IonicContact NH1-OE2 3.72Å; V56-E83 HydrophobicContact CB-CG 4.21Å; V56-E83 HydrophobicContact CG1-CB 3.6Å; V56-E83 HydrophobicContact CG1-CG 3.79Å; I60-E83 HydrophobicContact CD1-CB 4.37Å; L79-E83 WeakPolarHBondContact O-CG 3.48Å; L79-E83 PolarHBondContact O-N 3.49Å; F80-E83 PolarHBondContact O-N 3.46Å; E81-E83 VanDerWaalsContact C-N 3.29Å; E81-E83 PolarHBondContact O-N 3.3Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.37Å; E83-F86 WeakPolarHBondContact O-CB 3.44Å; E83-F86 PolarHBondContact O-N 2.95Å; E83-F86 VanDerWaalsContact O-N 3.13Å; E83-W87 PolarHBondContact O-N 3.27Å; E83-W87 PolarHBondContact OE2-NE1 2.83Å
84L91.9Very high89.2Confident1 Ų145.4 Ų45.41%0.00525%0.25CC..Hα-helixtrans-57.3-46.3176.9-69.8-178.2000112I60 L69 F80 E81 F86 W87 G88 L89 A91I60-L84 HydrophobicContact CG1-CD2 4.42Å; L69-L84 HydrophobicContact CD1-CD2 4.25Å; L69-L84 HydrophobicContact CD2-CD1 4.17Å; L69-L84 HydrophobicContact CD2-CD2 3.86Å; F80-L84 HydrophobicContact CD1-CD1 3.85Å; F80-L84 HydrophobicContact CD1-CG 4.2Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.26Å; F80-L84 HydrophobicContact CE1-CG 3.96Å; F80-L84 HydrophobicContact CZ-CD1 4.14Å; F80-L84 HydrophobicContact CZ-CD2 4.04Å; F80-L84 HydrophobicContact CZ-CG 4.19Å; F80-L84 WeakPolarHBondContact O-CG 3.19Å; F80-L84 PolarHBondContact O-N 3.45Å; E81-L84 PolarHBondContact O-N 3.14Å; L84-F86 VanDerWaalsContact C-N 3.32Å; L84-F86 PolarHBondContact O-N 3.41Å; L84-W87 PolarHBondContact O-N 3.14Å; L84-G88 PolarHBondContact O-N 3.35Å; L84-G88 VanDerWaalsContact O-N 3.07Å; L84-L89 HydrophobicContact CB-CB 4.34Å; L84-L89 HydrophobicContact CD2-CB 3.94Å; L84-L89 HydrophobicContact CD2-CD1 3.94Å; L84-L89 PolarHBondContact O-N 3.34Å; L84-A91 HydrophobicContact CD1-CB 4.46Å
85E91.7Very high89.4Confident152 Ų15243.7 Ų43.771%0.7124%0.239SC*.Hα-helixtrans-59.1-44176.3-173.3-178.9-175.100111E81 E83 W87 G88E81-E85 WeakPolarHBondContact O-CB 3.44Å; E81-E85 PolarHBondContact O-N 3.25Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.37Å; E85-W87 PolarHBondContact O-N 3.25Å; E85-G88 PolarHBondContact O-N 3.13Å
86F91.4Very high89.6Confident34 Ų3448 Ų4815%0.14927%0.267CS..Hα-helixtrans-60.2-46.8176.9176.3-98000112.3R30 Y50 R52 E82 E83 L84 G88R30-F86 VanDerWaalsContact CZ-CD2 3.47Å; R30-F86 PolarHBondContact NE-O 3.02Å; R30-F86 VanDerWaalsContact NH2-CD2 3.31Å; R30-F86 PolarHBondContact NH2-O 2.74Å; Y50-F86 HydrophobicContact CD1-CE1 4.08Å; Y50-F86 HydrophobicContact CD1-CZ 4.03Å; Y50-F86 HydrophobicContact CE1-CE1 4.37Å; Y50-F86 HydrophobicContact CE1-CZ 4.31Å; R52-F86 VanDerWaalsContact CZ-CB 3.5Å; R52-F86 VanDerWaalsContact NE-CE1 3.28Å; E82-F86 WeakPolarHBondContact O-CB 3.46Å; E82-F86 PolarHBondContact O-N 3.27Å; E83-F86 WeakPolarHBondContact O-CB 3.44Å; E83-F86 PolarHBondContact O-N 2.95Å; E83-F86 VanDerWaalsContact O-N 3.13Å; L84-F86 VanDerWaalsContact C-N 3.32Å; L84-F86 PolarHBondContact O-N 3.41Å; F86-G88 PolarHBondContact O-N 2.98Å
87W91.8Very high89.8Confident0 Ų049.3 Ų49.30%028%0.276CS..Hα-helixtrans-75.4-6.3-178.4-62.8106.7000113.5R30 L31 Y50 F57 I60 E83 L84 E85 L89R30-W87 PolarHBondContact N-O 3.34Å; L31-W87 HydrophobicContact CD1-CE3 4.18Å; L31-W87 HydrophobicContact CD1-CZ3 4.41Å; L31-W87 HydrophobicContact CD2-CE3 3.9Å; L31-W87 HydrophobicContact CD2-CH2 4.43Å; L31-W87 HydrophobicContact CD2-CZ3 3.49Å; L31-W87 VanDerWaalsContact CD2-CZ3 3.49Å; L31-W87 HydrophobicContact CG-CE3 3.78Å; L31-W87 HydrophobicContact CG-CZ3 3.93Å; Y50-W87 AromaticContact CD1-CH2 3.74Å; Y50-W87 HydrophobicContact CD1-CH2 3.74Å; Y50-W87 HydrophobicContact CD1-CZ3 4.15Å; Y50-W87 AromaticContact CD2-CH2 3.72Å; Y50-W87 HydrophobicContact CD2-CH2 3.72Å; Y50-W87 HydrophobicContact CD2-CZ3 4.27Å; Y50-W87 HydrophobicContact CE1-CH2 4.03Å; Y50-W87 AromaticContact CE1-CZ3 3.96Å; Y50-W87 HydrophobicContact CE1-CZ3 3.96Å; Y50-W87 HydrophobicContact CE2-CH2 4.02Å; Y50-W87 HydrophobicContact CE2-CZ3 4.09Å; Y50-W87 AromaticContact CG-CH2 3.57Å; Y50-W87 HydrophobicContact CG-CH2 3.57Å; Y50-W87 HydrophobicContact CG-CZ2 4.43Å; Y50-W87 HydrophobicContact CG-CZ3 4.3Å; Y50-W87 AromaticContact CZ-CZ3 3.94Å; F57-W87 HydrophobicContact CD2-CD2 4.44Å; F57-W87 AromaticContact CD2-CE2 3.71Å; F57-W87 AromaticContact CD2-CH2 3.87Å; F57-W87 HydrophobicContact CD2-CH2 3.87Å; F57-W87 AromaticContact CD2-CZ2 3.39Å; F57-W87 HydrophobicContact CD2-CZ2 3.39Å; F57-W87 HydrophobicContact CE2-CD2 4.39Å; F57-W87 HydrophobicContact CE2-CE3 4.38Å; F57-W87 AromaticContact CE2-CH2 3.58Å; F57-W87 HydrophobicContact CE2-CH2 3.58Å; F57-W87 AromaticContact CE2-CZ2 3.62Å; F57-W87 HydrophobicContact CE2-CZ2 3.62Å; F57-W87 HydrophobicContact CE2-CZ3 4.01Å; F57-W87 HydrophobicContact CG-CZ2 4.5Å; I60-W87 HydrophobicContact CD1-CG 4.07Å; I60-W87 HydrophobicContact CG2-CB 4.45Å; I60-W87 HydrophobicContact CG2-CG 4.28Å; E83-W87 PolarHBondContact O-N 3.27Å; E83-W87 PolarHBondContact OE2-NE1 2.83Å; L84-W87 PolarHBondContact O-N 3.14Å; E85-W87 PolarHBondContact O-N 3.25Å; W87-L89 HydrophobicContact CB-CD1 4.5Å; W87-L89 HydrophobicContact CB-CG 4.35Å
88G88.7Confident90Very high45 Ų4550 Ų5046%0.46428%0.28SS..THydrogen-bonded Turntrans7536.4-17900000112L84 E85 F86L84-G88 PolarHBondContact O-N 3.35Å; L84-G88 VanDerWaalsContact O-N 3.07Å; E85-G88 PolarHBondContact O-N 3.13Å; F86-G88 PolarHBondContact O-N 2.98Å
89L90.5Very high90.1Very high15 Ų1552 Ų528%0.07928%0.281CS..  trans-104.5138.3176.6-65.6-178.2000109.9T29 I60 Y63 L84 W87T29-L89 HydrophobicContact CG2-CD2 3.62Å; I60-L89 HydrophobicContact CG1-CD1 4.31Å; I60-L89 HydrophobicContact CG2-CD1 3.87Å; Y63-L89 HydrophobicContact CD1-CD1 3.91Å; Y63-L89 HydrophobicContact CD1-CD2 3.94Å; Y63-L89 HydrophobicContact CE1-CD1 4.33Å; Y63-L89 HydrophobicContact CE1-CD2 3.63Å; L84-L89 HydrophobicContact CB-CB 4.34Å; L84-L89 HydrophobicContact CD2-CB 3.94Å; L84-L89 HydrophobicContact CD2-CD1 3.94Å; L84-L89 PolarHBondContact O-N 3.34Å; W87-L89 HydrophobicContact CB-CD1 4.5Å; W87-L89 HydrophobicContact CB-CG 4.35Å
90D88.9Confident89.9Confident81 Ų8156.2 Ų56.243%0.43330%0.301SS..  trans-78.8129.7175.3-177.36.4000110.3N92 Q93D90-N92 PolarHBondContact O-N 2.8Å; D90-N92 PolarHBondContact OD1-N 3.44Å; D90-N92 VanDerWaalsContact OD1-N 3.08Å; D90-N92 PolarHBondContact OD1-ND2 2.83Å; D90-N92 VanDerWaalsContact OD1-ND2 3.14Å; D90-N92 PolarHBondContact OD2-ND2 2.94Å; D90-Q93 HydrophobicContact CB-CG 4.12Å; D90-Q93 WeakPolarHBondContact O-CB 3.31Å; D90-Q93 WeakPolarHBondContact O-CG 3.44Å; D90-Q93 PolarHBondContact O-N 3.05Å; D90-Q93 VanDerWaalsContact O-N 3.13Å
91A86.8Confident89.8Confident11 Ų1159.9 Ų59.99%0.09132%0.324CS..G310 helixtrans-57.2-25.117500000113.3L84 Q93 V94 Y102L84-A91 HydrophobicContact CD1-CB 4.46Å; A91-Q93 PolarHBondContact O-N 3.01Å; A91-V94 WeakPolarHBondContact O-CG2 3.37Å; A91-Y102 HydrophobicContact CB-CE1 4.18Å; A91-Y102 WeakPolarHBondContact CB-OH 3.23Å
92N86.4Confident89.7Confident99 Ų9957.2 Ų57.253%0.52931%0.311SS..G310 helixtrans-73.6-5.8179.1-57.4-41.5000113.8D90 V94D90-N92 PolarHBondContact O-N 2.8Å; D90-N92 PolarHBondContact OD1-N 3.44Å; D90-N92 VanDerWaalsContact OD1-N 3.08Å; D90-N92 PolarHBondContact OD1-ND2 2.83Å; D90-N92 VanDerWaalsContact OD1-ND2 3.14Å; D90-N92 PolarHBondContact OD2-ND2 2.94Å; N92-V94 VanDerWaalsContact C-N 3.3Å
93Q88.3Confident89.6Confident94 Ų9454.8 Ų54.844%0.43930%0.301SS..G310 helixtrans-84.70.2179.5-59.5-63.6-44.900113.7Y63 L69 D90 A91Y63-Q93 HydrophobicContact CE2-CB 4.46Å; L69-Q93 WeakPolarHBondContact CB-O 3.21Å; L69-Q93 HydrophobicContact CD2-CB 4.38Å; D90-Q93 HydrophobicContact CB-CG 4.12Å; D90-Q93 WeakPolarHBondContact O-CB 3.31Å; D90-Q93 WeakPolarHBondContact O-CG 3.44Å; D90-Q93 PolarHBondContact O-N 3.05Å; D90-Q93 VanDerWaalsContact O-N 3.13Å; A91-Q93 PolarHBondContact O-N 3.01Å
94V90.5Very high89.3Confident10 Ų1056.5 Ų56.56%0.06132%0.317CS..BIsolated β-bridgetrans-66133.9178.1176.90000110.4L69 F80 A91 N92 C98 W99 Y102L69-V94 HydrophobicContact CD2-CG2 3.74Å; L69-V94 HydrophobicContact CG-CG2 4.19Å; L69-V94 WeakPolarHBondContact O-CA 3.25Å; F80-V94 HydrophobicContact CE1-CG2 4.3Å; A91-V94 WeakPolarHBondContact O-CG2 3.37Å; N92-V94 VanDerWaalsContact C-N 3.3Å; V94-C98 HydrophobicContact CG1-CB 3.67Å; V94-W99 HydrophobicContact CB-CE3 4.32Å; V94-Y102 HydrophobicContact CG2-CD1 4.26Å; V94-Y102 HydrophobicContact CG2-CG 4.5Å
95E91.5Very high88.8Confident51 Ų5157.6 Ų57.624%0.23832%0.322CS..  trans-62.1146.9178.6-75-74144.900112.1K68 L69 C97 C98 W99K68-E95 HydrophobicContact CB-CG 3.82Å; K68-E95 HydrophobicContact CD-CG 4.37Å; K68-E95 HydrophobicContact CG-CG 4.36Å; K68-E95 VanDerWaalsContact CG-OE1 3.3Å; K68-E95 WeakPolarHBondContact CG-OE1 3.43Å; L69-E95 PolarHBondContact O-N 3.08Å; E95-C97 PolarHBondContact O-N 2.99Å; E95-C98 PolarHBondContact O-N 3.1Å; E95-W99 PolarHBondContact O-N 3.47Å
96P90.7Very high88.4Confident106 Ų10654.3 Ų54.369%0.68830%0.303SS*.Hα-helixtrans-55-31-177.8-27.634.8000114.8C98 W99P96-C98 PolarHBondContact O-N 3.5Å; P96-W99 PolarHBondContact O-N 2.97Å
97C90.8Very high87.9Confident96 Ų9657.3 Ų57.365%0.64932%0.321SS*.Hα-helixtrans-65.5-23178.5630000113.8H70 E95H70-C97 PolarHBondContact CE1-SG 3.09Å; H70-C97 PolarHBondContact ND1-SG 3.36Å; E95-C97 PolarHBondContact O-N 2.99Å
98C90.5Very high87.3Confident17 Ų1759.2 Ų59.212%0.11533%0.333CS..Hα-helixtrans-105.9-10.1-179.4-72.60000112.6Y71 V94 E95 P96 M100 T101 Y102Y71-C98 PolarHBondContact N-SG 3.44Å; V94-C98 HydrophobicContact CG1-CB 3.67Å; E95-C98 PolarHBondContact O-N 3.1Å; P96-C98 PolarHBondContact O-N 3.5Å; C98-M100 PolarHBondContact O-N 3.19Å; C98-T101 PolarHBondContact O-N 3.02Å; C98-Y102 WeakPolarHBondContact O-CB 3.46Å; C98-Y102 PolarHBondContact O-N 3.39Å
99W88.8Confident86.9Confident94 Ų9461 Ų6136%0.35633%0.329SS..Hα-helixtrans-58.2-49.9-171.5-176.5-100.9000112.4V94 E95 P96 T101 Y102 T103V94-W99 HydrophobicContact CB-CE3 4.32Å; E95-W99 PolarHBondContact O-N 3.47Å; P96-W99 PolarHBondContact O-N 2.97Å; W99-T101 PolarHBondContact O-N 3.21Å; W99-Y102 HydrophobicContact CE3-CD1 4.47Å; W99-Y102 HydrophobicContact CZ3-CD1 4.47Å; W99-Y102 PolarHBondContact O-N 3.26Å; W99-T103 HydrophobicContact CD2-CG2 3.92Å; W99-T103 VanDerWaalsContact CE2-CG2 3.49Å; W99-T103 HydrophobicContact CE3-CG2 4.46Å; W99-T103 HydrophobicContact CG-CG2 4.34Å; W99-T103 HydrophobicContact CH2-CG2 4.3Å; W99-T103 HydrophobicContact CZ2-CG2 3.72Å; W99-T103 WeakPolarHBondContact O-CG2 3.38Å; W99-T103 PolarHBondContact O-N 2.74Å; W99-T103 PolarHBondContact O-OG1 2.96Å
100M86.6Confident86.4Confident136 Ų13662.3 Ų62.367%0.6734%0.342SS*.Hα-helixtrans-61.3-43.5-177.5-62.3-161.480.700112.6C98 T103 A104C98-M100 PolarHBondContact O-N 3.19Å; M100-T103 PolarHBondContact O-N 2.93Å; M100-T103 PolarHBondContact O-OG1 3.43Å; M100-A104 PolarHBondContact O-N 3.08Å; M100-A104 VanDerWaalsContact O-N 3.09Å
101T87.7Confident85.8Confident78 Ų7859.1 Ų59.148%0.47933%0.325SS..Hα-helixtrans-67.5-39.7177.9-48.30000111.4Y71 C98 W99Y71-T101 HydrophobicContact CD1-CG2 3.94Å; Y71-T101 HydrophobicContact CE1-CG2 3.85Å; C98-T101 PolarHBondContact O-N 3.02Å; W99-T101 PolarHBondContact O-N 3.21Å
102Y88.6Confident85.2Confident0 Ų060.4 Ų60.40%033%0.331CS..Hα-helixtrans-64.3-46.6175.7171.4-115.6000111.5Y71 F80 A91 V94 C98 W99 A104 H105 R106Y71-Y102 AromaticContact CD2-CD2 3.78Å; Y71-Y102 HydrophobicContact CD2-CD2 3.78Å; Y71-Y102 HydrophobicContact CD2-CG 4.34Å; Y71-Y102 AromaticContact CE2-CD2 3.94Å; Y71-Y102 HydrophobicContact CE2-CD2 3.94Å; F80-Y102 AromaticContact CD1-CD2 3.93Å; F80-Y102 HydrophobicContact CD1-CD2 3.93Å; F80-Y102 AromaticContact CD1-CE2 3.89Å; F80-Y102 HydrophobicContact CD1-CE2 3.89Å; F80-Y102 HydrophobicContact CE1-CD2 4.46Å; A91-Y102 HydrophobicContact CB-CE1 4.18Å; A91-Y102 WeakPolarHBondContact CB-OH 3.23Å; V94-Y102 HydrophobicContact CG2-CD1 4.26Å; V94-Y102 HydrophobicContact CG2-CG 4.5Å; C98-Y102 WeakPolarHBondContact O-CB 3.46Å; C98-Y102 PolarHBondContact O-N 3.39Å; W99-Y102 HydrophobicContact CE3-CD1 4.47Å; W99-Y102 HydrophobicContact CZ3-CD1 4.47Å; W99-Y102 PolarHBondContact O-N 3.26Å; Y102-A104 VanDerWaalsContact C-N 3.34Å; Y102-A104 PolarHBondContact O-N 3.17Å; Y102-H105 AromaticContact CE2-CE1 3.98Å; Y102-H105 PolarHBondContact O-CE1 3.1Å; Y102-H105 PolarHBondContact O-ND1 3.2Å; Y102-R106 PolarHBondContact OH-NH2 3.28Å
103T87.2Confident84.7Confident21 Ų2160.1 Ų60.113%0.12933%0.326CS..Hα-helixtrans-76.1-17.4-176.356.60000114.3W99 M100 H105 R106 D107W99-T103 HydrophobicContact CD2-CG2 3.92Å; W99-T103 VanDerWaalsContact CE2-CG2 3.49Å; W99-T103 HydrophobicContact CE3-CG2 4.46Å; W99-T103 HydrophobicContact CG-CG2 4.34Å; W99-T103 HydrophobicContact CH2-CG2 4.3Å; W99-T103 HydrophobicContact CZ2-CG2 3.72Å; W99-T103 WeakPolarHBondContact O-CG2 3.38Å; W99-T103 PolarHBondContact O-N 2.74Å; W99-T103 PolarHBondContact O-OG1 2.96Å; M100-T103 PolarHBondContact O-N 2.93Å; M100-T103 PolarHBondContact O-OG1 3.43Å; T103-H105 PolarHBondContact O-N 3.26Å; T103-R106 WeakPolarHBondContact O-CB 3.46Å; T103-R106 PolarHBondContact O-N 3.44Å; T103-D107 PolarHBondContact O-N 3.48Å
104A85.2Confident84.1Confident45 Ų4558.5 Ų58.537%0.37232%0.32SS..Hα-helixtrans-53-32.5179.900000113.5M100 Y102 R106 T108M100-A104 PolarHBondContact O-N 3.08Å; M100-A104 VanDerWaalsContact O-N 3.09Å; Y102-A104 VanDerWaalsContact C-N 3.34Å; Y102-A104 PolarHBondContact O-N 3.17Å; A104-R106 VanDerWaalsContact C-N 3.35Å; A104-T108 WeakPolarHBondContact O-CB 3.41Å; A104-T108 PolarHBondContact O-N 3.38Å; A104-T108 PolarHBondContact O-OG1 3.03Å
105H81.7Confident83.2Confident25 Ų2558.2 Ų58.212%0.11632%0.318CS..Hα-helixtrans-68.5-32.5176.784.7-89.2000112.8P78 E81 Y102 T103 T108 Q109P78-H105 HydrophobicContact CG-CB 4.49Å; E81-H105 IonicContact OE2-CE1 2.65Å; E81-H105 IonicContact OE2-NE2 3.06Å; E81-H105 PolarHBondContact OE2-NE2 3.08Å; Y102-H105 AromaticContact CE2-CE1 3.98Å; Y102-H105 PolarHBondContact O-CE1 3.1Å; Y102-H105 PolarHBondContact O-ND1 3.2Å; T103-H105 PolarHBondContact O-N 3.26Å; H105-T108 WeakPolarHBondContact O-CB 3.48Å; H105-T108 PolarHBondContact O-N 3.23Å; H105-Q109 VanDerWaalsContact O-CB 3.28Å; H105-Q109 WeakPolarHBondContact O-CB 3.44Å; H105-Q109 PolarHBondContact O-N 2.89Å
106R83.8Confident82.1Confident82 Ų8257.6 Ų57.631%0.30932%0.316SS..Hα-helixtrans-70.7-42178.5-64.9-174.6173.3169.1-4.6110.7E81 Y102 T103 A104 T108 Q109 A110E81-R106 IonicContact OE1-CZ 2.66Å; E81-R106 IonicContact OE1-NE 3.32Å; E81-R106 IonicContact OE1-NH2 3.67Å; E81-R106 PolarHBondContact OE1-NH2 3.13Å; Y102-R106 PolarHBondContact OH-NH2 3.28Å; T103-R106 WeakPolarHBondContact O-CB 3.46Å; T103-R106 PolarHBondContact O-N 3.44Å; A104-R106 VanDerWaalsContact C-N 3.35Å; R106-T108 VanDerWaalsContact C-N 3.31Å; R106-T108 PolarHBondContact O-N 3.29Å; R106-Q109 PolarHBondContact O-N 3.18Å; R106-A110 WeakPolarHBondContact O-CB 3.39Å; R106-A110 PolarHBondContact O-N 3.43Å
107D80.7Confident81.1Confident97 Ų9760 Ų6052%0.51932%0.316SS..Hα-helixtrans-63.9-41.2175.2-61-29.4000111.1T103 A110 T111T103-D107 PolarHBondContact O-N 3.48Å; D107-A110 PolarHBondContact O-N 3.42Å; D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-OG1 3.1Å
108T79.7Confident79.9Confident41 Ų4157.2 Ų57.225%0.25230%0.296SS..Hα-helixtrans-61.7-44.8172.2-61.40000111.4A104 H105 R106 T111 L112 H478A104-T108 WeakPolarHBondContact O-CB 3.41Å; A104-T108 PolarHBondContact O-N 3.38Å; A104-T108 PolarHBondContact O-OG1 3.03Å; H105-T108 WeakPolarHBondContact O-CB 3.48Å; H105-T108 PolarHBondContact O-N 3.23Å; R106-T108 VanDerWaalsContact C-N 3.31Å; R106-T108 PolarHBondContact O-N 3.29Å; T108-T111 WeakPolarHBondContact O-CB 3.3Å; T108-T111 PolarHBondContact O-N 3.2Å; T108-L112 HydrophobicContact CG2-CD1 3.96Å; T108-L112 HydrophobicContact CG2-CG 4.37Å; T108-L112 WeakPolarHBondContact O-CB 3.5Å; T108-L112 VanDerWaalsContact O-CG 3.23Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 3.47Å; T108-H478 WeakPolarHBondContact CG2-CE1 3.37Å
109Q79.4Confident78.4Confident81 Ų8158.2 Ų58.238%0.37930%0.3SS..Hα-helixtrans-65.9-40.3178.6-1721784.100111.6H105 R106 L112 Q113H105-Q109 VanDerWaalsContact O-CB 3.28Å; H105-Q109 WeakPolarHBondContact O-CB 3.44Å; H105-Q109 PolarHBondContact O-N 2.89Å; R106-Q109 PolarHBondContact O-N 3.18Å; Q109-L112 PolarHBondContact O-N 3.17Å; Q109-Q113 WeakPolarHBondContact O-CB 3.06Å; Q109-Q113 VanDerWaalsContact O-CG 3.25Å; Q109-Q113 WeakPolarHBondContact O-CG 3.21Å; Q109-Q113 PolarHBondContact O-N 3.21Å
110A80Confident76.6Confident44 Ų4459.1 Ų59.136%0.36431%0.31SS..Hα-helixtrans-61.4-46174.200000110.9R106 D107 L112 Q113 I114R106-A110 WeakPolarHBondContact O-CB 3.39Å; R106-A110 PolarHBondContact O-N 3.43Å; D107-A110 PolarHBondContact O-N 3.42Å; A110-L112 PolarHBondContact O-N 2.88Å; A110-Q113 PolarHBondContact O-N 2.96Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.43Å
111T77.6Confident75Confident13 Ų1356 Ų568%0.0830%0.296CS..Hα-helixtrans-57.4-47.5174-64.20000111.4D107 T108 Q113 I114 L115 M474 F475D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-OG1 3.1Å; T108-T111 WeakPolarHBondContact O-CB 3.3Å; T108-T111 PolarHBondContact O-N 3.2Å; T111-Q113 PolarHBondContact O-N 2.81Å; T111-I114 WeakPolarHBondContact O-CB 3.04Å; T111-I114 PolarHBondContact O-N 2.94Å; T111-L115 HydrophobicContact CG2-CD1 3.76Å; T111-L115 WeakPolarHBondContact O-CD1 3.38Å; T111-L115 PolarHBondContact O-N 2.84Å; T111-M474 HydrophobicContact CG2-CE 4.33Å; T111-F475 HydrophobicContact CG2-CD1 3.61Å; T111-F475 HydrophobicContact CG2-CE1 3.43Å; T111-F475 VanDerWaalsContact CG2-CE1 3.43Å; T111-F475 HydrophobicContact CG2-CG 4.35Å; T111-F475 HydrophobicContact CG2-CZ 4.01Å
112L74.3Confident73.5Confident39 Ų3954.7 Ų54.720%0.20429%0.286CS..Hα-helixtrans-63.9-38.8177.3-73171.9000112.7T108 Q109 A110 I114 L115 D116 H478T108-L112 HydrophobicContact CG2-CD1 3.96Å; T108-L112 HydrophobicContact CG2-CG 4.37Å; T108-L112 WeakPolarHBondContact O-CB 3.5Å; T108-L112 VanDerWaalsContact O-CG 3.23Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 3.47Å; Q109-L112 PolarHBondContact O-N 3.17Å; A110-L112 PolarHBondContact O-N 2.88Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 3.48Å; L112-L115 CarbonylContact O-C 3.59Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-D116 WeakPolarHBondContact O-CB 3.16Å; L112-D116 VanDerWaalsContact O-CG 3.3Å; L112-D116 PolarHBondContact O-N 2.86Å; L112-H478 HydrophobicContact CD2-CB 4.48Å
113Q75.6Confident71.9Confident92 Ų9257.5 Ų57.543%0.4330%0.301SS..Hα-helixtrans-64.9-36.8175.3-75.7175.112.600111.9Q109 A110 T111 K117Q109-Q113 WeakPolarHBondContact O-CB 3.06Å; Q109-Q113 VanDerWaalsContact O-CG 3.25Å; Q109-Q113 WeakPolarHBondContact O-CG 3.21Å; Q109-Q113 PolarHBondContact O-N 3.21Å; A110-Q113 PolarHBondContact O-N 2.96Å; T111-Q113 PolarHBondContact O-N 2.81Å; Q113-K117 WeakPolarHBondContact O-CG 3.33Å; Q113-K117 PolarHBondContact O-N 3.33Å
114I75.6Confident70.4Confident60 Ų6059.6 Ų59.631%0.30831%0.311SS..Hα-helixtrans-67.1-45.6174.7-64.1165.5000109.7A110 T111 L112 K117 V118 L375A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.43Å; T111-I114 WeakPolarHBondContact O-CB 3.04Å; T111-I114 PolarHBondContact O-N 2.94Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 3.48Å; I114-K117 WeakPolarHBondContact O-CB 3.47Å; I114-K117 PolarHBondContact O-N 3.42Å; I114-V118 PolarHBondContact O-N 3.03Å; I114-L375 HydrophobicContact CG2-CD1 3.16Å; I114-L375 HydrophobicContact CG2-CD2 3.58Å; I114-L375 HydrophobicContact CG2-CG 3.73Å
115L71.9Confident69.2Low4 Ų463.4 Ų63.42%0.02132%0.317CS..Hα-helixtrans-60.6-42.4174.4-77.9149.9000112T111 L112 K117 V118 D119 F475 H478 T479T111-L115 HydrophobicContact CG2-CD1 3.76Å; T111-L115 WeakPolarHBondContact O-CD1 3.38Å; T111-L115 PolarHBondContact O-N 2.84Å; L112-L115 CarbonylContact O-C 3.59Å; L112-L115 PolarHBondContact O-N 3.25Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.31Å; L115-V118 PolarHBondContact O-N 3.19Å; L115-V118 VanDerWaalsContact O-N 3.09Å; L115-D119 WeakPolarHBondContact O-CB 3.49Å; L115-D119 PolarHBondContact O-N 3.18Å; L115-F475 HydrophobicContact CD1-CD1 4.22Å; L115-F475 HydrophobicContact CG-CD1 4.4Å; L115-H478 HydrophobicContact CD1-CB 3.86Å; L115-T479 VanDerWaalsContact CD2-OG1 3.23Å; L115-T479 WeakPolarHBondContact CD2-OG1 3.49Å
116D69Low68.4Low39 Ų3965.2 Ų65.221%0.20933%0.33CS..Hα-helixtrans-58-45.6174.9-81-28.1000110.7L112 V118 D119 M120 R482L112-D116 WeakPolarHBondContact O-CB 3.16Å; L112-D116 VanDerWaalsContact O-CG 3.3Å; L112-D116 PolarHBondContact O-N 2.86Å; D116-V118 PolarHBondContact O-N 3.37Å; D116-D119 PolarHBondContact O-N 3.02Å; D116-M120 WeakPolarHBondContact O-CB 3.25Å; D116-M120 WeakPolarHBondContact O-CG 3.45Å; D116-M120 PolarHBondContact O-N 3.07Å; D116-R482 IonicContact OD1-CZ 2.73Å; D116-R482 IonicContact OD1-NH1 3.3Å; D116-R482 PolarHBondContact OD1-NH1 3.42Å; D116-R482 IonicContact OD1-NH2 2.78Å; D116-R482 PolarHBondContact OD1-NH2 2.97Å; D116-R482 IonicContact OD2-NH1 2.83Å
117K68.9Low67.7Low156 Ų15664.2 Ų64.268%0.67833%0.334SS*.Hα-helixtrans-58.8-33.4176.7-74.9171.3-178.2171.40112.7Q113 I114 L115Q113-K117 WeakPolarHBondContact O-CG 3.33Å; Q113-K117 PolarHBondContact O-N 3.33Å; I114-K117 WeakPolarHBondContact O-CB 3.47Å; I114-K117 PolarHBondContact O-N 3.42Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.31Å
118V65.3Low67.1Low38 Ų3866 Ų6623%0.2334%0.339CS..Hα-helixtrans-80.1-37.6177.5178.10000111.8I114 L115 D116 D121 L375I114-V118 PolarHBondContact O-N 3.03Å; L115-V118 PolarHBondContact O-N 3.19Å; L115-V118 VanDerWaalsContact O-N 3.09Å; D116-V118 PolarHBondContact O-N 3.37Å; V118-D121 PolarHBondContact O-N 3.48Å; V118-L375 HydrophobicContact CG2-CD1 4.37Å; V118-L375 HydrophobicContact CG2-CD2 4.14Å
119D59Low66.8Low38 Ų3865.9 Ų65.920%0.20334%0.338CS..Hα-helixtrans-75.2-28.9179.9-78.7-16.8000113.3L115 D116 D121 N122 D123 R482L115-D119 WeakPolarHBondContact O-CB 3.49Å; L115-D119 PolarHBondContact O-N 3.18Å; D116-D119 PolarHBondContact O-N 3.02Å; D119-D121 PolarHBondContact O-N 3.09Å; D119-D121 VanDerWaalsContact O-N 3.1Å; D119-N122 PolarHBondContact O-N 3.25Å; D119-D123 PolarHBondContact O-N 3.41Å; D119-R482 IonicContact OD2-CZ 3.65Å; D119-R482 IonicContact OD2-NE 3.6Å; D119-R482 PolarHBondContact OD2-NE 3.2Å; D119-R482 IonicContact OD2-NH2 3.91Å; D119-R482 PolarHBondContact OD2-NH2 3.03Å
120M51.3Low66.6Low112 Ų11262.5 Ų62.555%0.55232%0.323SS*.THydrogen-bonded Turntrans-57.8-22.5173-75-64.5-59.900112D116D116-M120 WeakPolarHBondContact O-CB 3.25Å; D116-M120 WeakPolarHBondContact O-CG 3.45Å; D116-M120 PolarHBondContact O-N 3.07Å
121D53.5Low66.6Low72 Ų7260.8 Ų60.839%0.38531%0.307SS..THydrogen-bonded Turntrans-82.8-7.3172.6-75.1-31.7000113.8V118 D119 R133 L161V118-D121 PolarHBondContact O-N 3.48Å; D119-D121 PolarHBondContact O-N 3.09Å; D119-D121 VanDerWaalsContact O-N 3.1Å; D121-R133 IonicContact OD1-CZ 2.83Å; D121-R133 VanDerWaalsContact OD1-CZ 3.31Å; D121-R133 IonicContact OD1-NH1 3.9Å; D121-R133 PolarHBondContact OD1-NH1 2.85Å; D121-R133 IonicContact OD1-NH2 3.87Å; D121-R133 PolarHBondContact OD1-NH2 3.17Å; D121-L161 WeakPolarHBondContact O-CD2 3.49Å
122N56.4Low66.5Low49 Ų4966.4 Ų66.426%0.26233%0.33SS..THydrogen-bonded Turntrans-118.9-28.8-176.4-67-43.5000114.9D119D119-N122 PolarHBondContact O-N 3.25Å
123D54.9Low66.5Low59 Ų5970.5 Ų70.532%0.31634%0.343SS..SBendtrans-123.9-8.2-157.4-106-29.8000118.4D119 Y125 K487 R490D119-D123 PolarHBondContact O-N 3.41Å; D123-Y125 PolarHBondContact O-N 3.35Å; D123-K487 IonicContact OD1-NZ 2.77Å; D123-K487 PolarHBondContact OD1-NZ 3.43Å; D123-R490 IonicContact OD2-CZ 3.77Å; D123-R490 IonicContact OD2-NH1 3.92Å; D123-R490 PolarHBondContact OD2-NH1 3.32Å
124D53.8Low66.6Low66 Ų6667.1 Ų67.135%0.35333%0.327SS..  trans-97.465.9176.4-84.7-8.5000111.2T126 T129D124-T126 PolarHBondContact O-N 2.89Å; D124-T129 HydrophobicContact CB-CG2 4.11Å; D124-T129 WeakPolarHBondContact O-CB 3.49Å; D124-T129 PolarHBondContact O-OG1 3.49Å
125Y60.9Low66.5Low125 Ų12566.9 Ų66.949%0.4934%0.34SS..  trans-91.375.9168.4-171.7-99.5000110D123 L130 A157D123-Y125 PolarHBondContact O-N 3.35Å; Y125-L130 HydrophobicContact CE2-CD2 4.24Å; Y125-A157 HydrophobicContact CE2-CB 4.21Å
126T66Low66.8Low62 Ų6267.4 Ų67.438%0.3834%0.342SS..  trans-106149.815265.50000107.6D124 E128 T129 L130D124-T126 PolarHBondContact O-N 2.89Å; T126-E128 PolarHBondContact O-N 3.27Å; T126-T129 PolarHBondContact N-OG1 3.23Å; T126-T129 PolarHBondContact O-N 3.34Å; T126-T129 PolarHBondContact O-OG1 3.07Å; T126-T129 WeakPolarHBondContact OG1-CG2 3.28Å; T126-T129 PolarHBondContact OG1-N 3.45Å; T126-T129 PolarHBondContact OG1-OG1 3.4Å; T126-L130 PolarHBondContact O-N 2.86Å
127P67.6Low67Low62 Ų6269.7 Ų69.740%0.40335%0.352SS..Hα-helixtrans-54.6-37.8175.322-32.5000110.6L130 Y131 Y140P127-L130 WeakPolarHBondContact O-CB 3.45Å; P127-L130 PolarHBondContact O-N 3.44Å; P127-Y131 WeakPolarHBondContact O-CD2 3.42Å; P127-Y131 PolarHBondContact O-N 3.33Å; P127-Y140 HydrophobicContact CB-CE1 4.41Å; P127-Y140 WeakPolarHBondContact CB-OH 3.5Å
128E68.7Low67.2Low133 Ų13366.3 Ų66.362%0.62134%0.341SS*.Hα-helixtrans-59.4-49.2175.7-65.6171.8-170.700113.4T126 L130 Y131 K132 Y140T126-E128 PolarHBondContact O-N 3.27Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.7Å; E128-Y131 PolarHBondContact O-N 3.05Å; E128-K132 WeakPolarHBondContact O-CB 3.41Å; E128-K132 PolarHBondContact O-N 2.65Å; E128-Y140 HydrophobicContact CG-CE1 4.25Å
129T72.2Confident67.7Low39 Ų3967.6 Ų67.624%0.23935%0.345CS..Hα-helixtrans-67.5-32.3179.151.50000112D124 T126 R133D124-T129 HydrophobicContact CB-CG2 4.11Å; D124-T129 WeakPolarHBondContact O-CB 3.49Å; D124-T129 PolarHBondContact O-OG1 3.49Å; T126-T129 PolarHBondContact N-OG1 3.23Å; T126-T129 PolarHBondContact O-N 3.34Å; T126-T129 PolarHBondContact O-OG1 3.07Å; T126-T129 WeakPolarHBondContact OG1-CG2 3.28Å; T126-T129 PolarHBondContact OG1-N 3.45Å; T126-T129 PolarHBondContact OG1-OG1 3.4Å; T129-R133 PolarHBondContact O-N 3.4Å
130L76Confident68.5Low11 Ų1169.8 Ų69.86%0.05835%0.35CS..Hα-helixtrans-64.3-51.6174.9-177.265.1000111.1Y125 T126 P127 E128 K132 R133 F134 P153 W156 A157Y125-L130 HydrophobicContact CE2-CD2 4.24Å; T126-L130 PolarHBondContact O-N 2.86Å; P127-L130 WeakPolarHBondContact O-CB 3.45Å; P127-L130 PolarHBondContact O-N 3.44Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 2.7Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-R133 PolarHBondContact O-N 2.99Å; L130-F134 WeakPolarHBondContact O-CD2 3.39Å; L130-P153 HydrophobicContact CD1-CB 4.1Å; L130-P153 HydrophobicContact CD2-CB 3.95Å; L130-P153 HydrophobicContact CG-CB 3.66Å; L130-W156 HydrophobicContact CD1-CE3 3.85Å; L130-W156 HydrophobicContact CD1-CZ3 4.14Å; L130-A157 HydrophobicContact CD1-CB 4.08Å; L130-A157 HydrophobicContact CD2-CB 4.32Å
131Y79.3Confident69.7Low8 Ų869.3 Ų69.33%0.03135%0.354CS..Hα-helixtrans-68.4-33.7177.7-72.3-76.5000112.2P127 E128 R133 F134 G135 L136 Y140 L145 K150 P153P127-Y131 WeakPolarHBondContact O-CD2 3.42Å; P127-Y131 PolarHBondContact O-N 3.33Å; E128-Y131 PolarHBondContact O-N 3.05Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.49Å; Y131-F134 CarbonylContact O-C 3.5Å; Y131-F134 WeakPolarHBondContact O-CA 3.45Å; Y131-F134 PolarHBondContact O-N 2.85Å; Y131-G135 PolarHBondContact O-N 3.35Å; Y131-L136 HydrophobicContact CD1-CB 4.19Å; Y131-L136 PolarHBondContact O-N 3.22Å; Y131-Y140 HydrophobicContact CD1-CD2 4.45Å; Y131-Y140 HydrophobicContact CD2-CD1 4.14Å; Y131-Y140 AromaticContact CD2-CD2 3.31Å; Y131-Y140 HydrophobicContact CD2-CD2 3.31Å; Y131-Y140 HydrophobicContact CD2-CE1 4.48Å; Y131-Y140 AromaticContact CD2-CE2 3.72Å; Y131-Y140 HydrophobicContact CD2-CE2 3.72Å; Y131-Y140 AromaticContact CD2-CG 3.55Å; Y131-Y140 HydrophobicContact CD2-CG 3.55Å; Y131-Y140 HydrophobicContact CE1-CD2 4.39Å; Y131-Y140 AromaticContact CE2-CD2 3.26Å; Y131-Y140 HydrophobicContact CE2-CD2 3.26Å; Y131-Y140 AromaticContact CE2-CE2 3.39Å; Y131-Y140 HydrophobicContact CE2-CE2 3.39Å; Y131-Y140 HydrophobicContact CE2-CG 4.02Å; Y131-Y140 AromaticContact CG-CD2 3.98Å; Y131-Y140 HydrophobicContact CG-CD2 3.98Å; Y131-Y140 AromaticContact CG-CG 3.96Å; Y131-Y140 HydrophobicContact CG-CG 3.96Å; Y131-Y140 AromaticContact CZ-CD2 3.84Å; Y131-L145 HydrophobicContact CD1-CD2 4.41Å; Y131-L145 HydrophobicContact CE1-CD1 4.02Å; Y131-L145 HydrophobicContact CE1-CD2 4.31Å; Y131-K150 PolarHBondContact OH-O 3.44Å; Y131-P153 HydrophobicContact CD1-CB 4.48Å; Y131-P153 HydrophobicContact CD1-CG 3.85Å; Y131-P153 HydrophobicContact CE1-CB 4.41Å; Y131-P153 HydrophobicContact CE1-CG 3.79Å
132K77.1Confident70.7Confident130 Ų13069.7 Ų69.757%0.56536%0.362SS*.Hα-helixtrans-58.5-38.7172.7179.6165.5-168.2163.50113.1E128 L130 F134 G135 E137E128-K132 WeakPolarHBondContact O-CB 3.41Å; E128-K132 PolarHBondContact O-N 2.65Å; L130-K132 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 3.31Å; K132-G135 PolarHBondContact O-N 3.4Å; K132-E137 HydrophobicContact CB-CB 4.41Å; K132-E137 VanDerWaalsContact CD-OE2 3.25Å; K132-E137 WeakPolarHBondContact CD-OE2 3.18Å; K132-E137 WeakPolarHBondContact CE-OE2 3.5Å; K132-E137 WeakPolarHBondContact CG-OE2 3.45Å; K132-E137 IonicContact NZ-OE2 3.8Å
133R73.7Confident71.7Confident125 Ų12574 Ų7447%0.47239%0.385SS..Hα-helixtrans-61.9-25.9175.7-169.3170.8-176.2142.2-0.2112.7D121 T129 L130 Y131D121-R133 IonicContact OD1-CZ 2.83Å; D121-R133 VanDerWaalsContact OD1-CZ 3.31Å; D121-R133 IonicContact OD1-NH1 3.9Å; D121-R133 PolarHBondContact OD1-NH1 2.85Å; D121-R133 IonicContact OD1-NH2 3.87Å; D121-R133 PolarHBondContact OD1-NH2 3.17Å; T129-R133 PolarHBondContact O-N 3.4Å; L130-R133 PolarHBondContact O-N 2.99Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.49Å
134F78Confident72.9Confident22 Ų2278.6 Ų78.610%0.09640%0.404CS..THydrogen-bonded Turntrans-95-0.7176.5-72.9-97.1000113.7L130 Y131 K132 L136 R152 P153 W156 I286L130-F134 WeakPolarHBondContact O-CD2 3.39Å; Y131-F134 CarbonylContact O-C 3.5Å; Y131-F134 WeakPolarHBondContact O-CA 3.45Å; Y131-F134 PolarHBondContact O-N 2.85Å; K132-F134 PolarHBondContact O-N 3.31Å; F134-L136 HydrophobicContact CB-CD1 3.87Å; F134-L136 HydrophobicContact CB-CG 4.12Å; F134-L136 PolarHBondContact O-N 3.03Å; F134-R152 HydrophobicContact CD1-CG 4.26Å; F134-R152 HydrophobicContact CE1-CG 3.88Å; F134-P153 HydrophobicContact CB-CG 4.47Å; F134-P153 HydrophobicContact CD1-CG 4.49Å; F134-P153 HydrophobicContact CD2-CB 3.7Å; F134-P153 HydrophobicContact CD2-CG 3.83Å; F134-P153 HydrophobicContact CE2-CB 3.72Å; F134-P153 HydrophobicContact CE2-CG 4.2Å; F134-P153 HydrophobicContact CG-CB 4.38Å; F134-P153 HydrophobicContact CG-CG 4.01Å; F134-P153 HydrophobicContact CZ-CB 4.43Å; F134-W156 HydrophobicContact CE2-CB 4.15Å; F134-W156 HydrophobicContact CE2-CD2 4.05Å; F134-W156 HydrophobicContact CE2-CE3 4.1Å; F134-W156 HydrophobicContact CE2-CG 4.07Å; F134-W156 HydrophobicContact CZ-CB 3.67Å; F134-W156 AromaticContact CZ-CD2 3.96Å; F134-W156 HydrophobicContact CZ-CD2 3.96Å; F134-W156 HydrophobicContact CZ-CE3 4.47Å; F134-W156 AromaticContact CZ-CG 3.57Å; F134-W156 HydrophobicContact CZ-CG 3.57Å; F134-I286 HydrophobicContact CB-CD1 3.9Å; F134-I286 HydrophobicContact CD1-CD1 3.37Å; F134-I286 HydrophobicContact CD1-CG1 3.65Å; F134-I286 HydrophobicContact CE1-CD1 4.13Å; F134-I286 HydrophobicContact CE1-CG1 4.04Å; F134-I286 HydrophobicContact CG-CD1 3.9Å
135G74Confident74Confident55 Ų5577 Ų7757%0.56740%0.396SS*.THydrogen-bonded Turntrans70.218.3-174.100000113.8Y131 K132Y131-G135 PolarHBondContact O-N 3.35Å; K132-G135 PolarHBondContact O-N 3.4Å
136L76.8Confident75Confident15 Ų1576.3 Ų76.38%0.07940%0.4CS..  trans-103.126.5-175.8-65.1169000112.3Y131 F134 E139 Y140 L145 Q149 P153Y131-L136 HydrophobicContact CD1-CB 4.19Å; Y131-L136 PolarHBondContact O-N 3.22Å; F134-L136 HydrophobicContact CB-CD1 3.87Å; F134-L136 HydrophobicContact CB-CG 4.12Å; F134-L136 PolarHBondContact O-N 3.03Å; L136-E139 VanDerWaalsContact CA-OE2 3.23Å; L136-E139 WeakPolarHBondContact CA-OE2 3.41Å; L136-Y140 VanDerWaalsContact O-CB 3.31Å; L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 2.95Å; L136-Y140 VanDerWaalsContact O-N 3.09Å; L136-L145 HydrophobicContact CB-CD2 4.37Å; L136-Q149 HydrophobicContact CD1-CB 4.11Å; L136-Q149 HydrophobicContact CD1-CG 4.31Å; L136-Q149 HydrophobicContact CD2-CG 4.28Å; L136-P153 HydrophobicContact CD1-CG 4.47Å
137E74.6Confident75.8Confident86 Ų8679.8 Ų79.840%0.40242%0.415SS..Hα-helixtrans-69-42.4-174.260.4-172.6-172.100112K132 T141K132-E137 HydrophobicContact CB-CB 4.41Å; K132-E137 VanDerWaalsContact CD-OE2 3.25Å; K132-E137 WeakPolarHBondContact CD-OE2 3.18Å; K132-E137 WeakPolarHBondContact CE-OE2 3.5Å; K132-E137 WeakPolarHBondContact CG-OE2 3.45Å; K132-E137 IonicContact NZ-OE2 3.8Å; E137-T141 WeakPolarHBondContact O-CG2 3.5Å; E137-T141 PolarHBondContact O-N 3.39Å; E137-T141 VanDerWaalsContact O-N 3.1Å; E137-T141 PolarHBondContact O-OG1 3.34Å
138D71.9Confident76.6Confident85 Ų8583 Ų8346%0.45542%0.42SS..Hα-helixtrans-68.4-44.4179.4-71.4-38.7000110.4Y140 T141 C142 K656D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 3.32Å; D138-T141 WeakPolarHBondContact CA-OG1 3.22Å; D138-T141 PolarHBondContact O-N 3.23Å; D138-T141 VanDerWaalsContact O-N 3.1Å; D138-T141 PolarHBondContact O-OG1 2.96Å; D138-C142 WeakPolarHBondContact O-CB 3.31Å; D138-C142 PolarHBondContact O-N 3.38Å; D138-C142 PolarHBondContact O-SG 3.44Å; D138-K656 IonicContact OD1-NZ 3.47Å; D138-K656 PolarHBondContact OD1-NZ 3.27Å
139E76.3Confident77.3Confident66 Ų6679.3 Ų79.331%0.30840%0.402SS..Hα-helixtrans-65.5-34.8178.8-61.391.4150.600112.7L136 C142 N143 E144 L145L136-E139 VanDerWaalsContact CA-OE2 3.23Å; L136-E139 WeakPolarHBondContact CA-OE2 3.41Å; E139-C142 PolarHBondContact O-N 3.3Å; E139-N143 PolarHBondContact O-N 3.27Å; E139-E144 PolarHBondContact O-N 3.39Å; E139-E144 VanDerWaalsContact O-N 3.08Å; E139-L145 HydrophobicContact CB-CD2 3.95Å; E139-L145 HydrophobicContact CB-CG 4.27Å
140Y75.2Confident77.8Confident83 Ų8381.9 Ų81.933%0.32541%0.41SS..Hα-helixtrans-65.7-41.1172.1178.3-103.8000111.6P127 E128 Y131 L136 D138 N143 L145P127-Y140 HydrophobicContact CB-CE1 4.41Å; P127-Y140 WeakPolarHBondContact CB-OH 3.5Å; E128-Y140 HydrophobicContact CG-CE1 4.25Å; Y131-Y140 HydrophobicContact CD1-CD2 4.45Å; Y131-Y140 HydrophobicContact CD2-CD1 4.14Å; Y131-Y140 AromaticContact CD2-CD2 3.31Å; Y131-Y140 HydrophobicContact CD2-CD2 3.31Å; Y131-Y140 HydrophobicContact CD2-CE1 4.48Å; Y131-Y140 AromaticContact CD2-CE2 3.72Å; Y131-Y140 HydrophobicContact CD2-CE2 3.72Å; Y131-Y140 AromaticContact CD2-CG 3.55Å; Y131-Y140 HydrophobicContact CD2-CG 3.55Å; Y131-Y140 HydrophobicContact CE1-CD2 4.39Å; Y131-Y140 AromaticContact CE2-CD2 3.26Å; Y131-Y140 HydrophobicContact CE2-CD2 3.26Å; Y131-Y140 AromaticContact CE2-CE2 3.39Å; Y131-Y140 HydrophobicContact CE2-CE2 3.39Å; Y131-Y140 HydrophobicContact CE2-CG 4.02Å; Y131-Y140 AromaticContact CG-CD2 3.98Å; Y131-Y140 HydrophobicContact CG-CD2 3.98Å; Y131-Y140 AromaticContact CG-CG 3.96Å; Y131-Y140 HydrophobicContact CG-CG 3.96Å; Y131-Y140 AromaticContact CZ-CD2 3.84Å; L136-Y140 VanDerWaalsContact O-CB 3.31Å; L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 2.95Å; L136-Y140 VanDerWaalsContact O-N 3.09Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 3.32Å; Y140-N143 PolarHBondContact O-N 3.38Å; Y140-L145 HydrophobicContact CD2-CD1 3.82Å; Y140-L145 HydrophobicContact CG-CD1 4.44Å
141T76.2Confident78.3Confident102 Ų10287.5 Ų87.563%0.62643%0.431SS*.Hα-helixtrans-69.8-32.7176.559.20000113.3E137 D138 N143E137-T141 WeakPolarHBondContact O-CG2 3.5Å; E137-T141 PolarHBondContact O-N 3.39Å; E137-T141 VanDerWaalsContact O-N 3.1Å; E137-T141 PolarHBondContact O-OG1 3.34Å; D138-T141 WeakPolarHBondContact CA-OG1 3.22Å; D138-T141 PolarHBondContact O-N 3.23Å; D138-T141 VanDerWaalsContact O-N 3.1Å; D138-T141 PolarHBondContact O-OG1 2.96Å; T141-N143 VanDerWaalsContact C-N 3.32Å
142C76.3Confident78.6Confident81 Ų8189.8 Ų89.855%0.54744%0.44SS..Hα-helixtrans-82.8-7.1176.2-67.70000113.5D138 E139 E144D138-C142 WeakPolarHBondContact O-CB 3.31Å; D138-C142 PolarHBondContact O-N 3.38Å; D138-C142 PolarHBondContact O-SG 3.44Å; E139-C142 PolarHBondContact O-N 3.3Å; C142-E144 HydrophobicContact CB-CG 4.28Å; C142-E144 PolarHBondContact O-N 3.06Å
143N77Confident78.9Confident139 Ų13983.6 Ų83.674%0.74341%0.413SS*.THydrogen-bonded Turntrans58.625.6-175.8-153.928.5000114.1E139 Y140 T141E139-N143 PolarHBondContact O-N 3.27Å; Y140-N143 PolarHBondContact O-N 3.38Å; T141-N143 VanDerWaalsContact C-N 3.32Å
144E78.7Confident79.4Confident155 Ų15582.1 Ų82.172%0.72441%0.41SS*.  trans-102.446.4-178.3-68-173.5165.400111.8E139 C142E139-E144 PolarHBondContact O-N 3.39Å; E139-E144 VanDerWaalsContact O-N 3.08Å; C142-E144 HydrophobicContact CB-CG 4.28Å; C142-E144 PolarHBondContact O-N 3.06Å
145L78Confident79.9Confident33 Ų3383.1 Ų83.117%0.17342%0.418CS..  trans-92.5126.8-178.5-72.5156.7000111.4Y131 L136 E139 Y140 Q149 K150Y131-L145 HydrophobicContact CD1-CD2 4.41Å; Y131-L145 HydrophobicContact CE1-CD1 4.02Å; Y131-L145 HydrophobicContact CE1-CD2 4.31Å; L136-L145 HydrophobicContact CB-CD2 4.37Å; E139-L145 HydrophobicContact CB-CD2 3.95Å; E139-L145 HydrophobicContact CB-CG 4.27Å; Y140-L145 HydrophobicContact CD2-CD1 3.82Å; Y140-L145 HydrophobicContact CG-CD1 4.44Å; L145-Q149 HydrophobicContact CD2-CB 3.86Å; L145-K150 HydrophobicContact CB-CB 4.35Å
146N80.6Confident80.5Confident111 Ų11181.6 Ų81.659%0.59440%0.395SS*.  trans-59.6153.3165.5-73.2-58.3000110.8W148 Q149 K150N146-W148 PolarHBondContact O-N 3.03Å; N146-Q149 HydrophobicContact CB-CB 4.32Å; N146-Q149 HydrophobicContact CB-CG 4.24Å; N146-Q149 VanDerWaalsContact CB-OE1 3.28Å; N146-Q149 PolarHBondContact ND2-OE1 3.21Å; N146-Q149 CarbonylContact O-C 3.53Å; N146-Q149 WeakPolarHBondContact O-CA 3.42Å; N146-Q149 WeakPolarHBondContact O-CB 3.43Å; N146-Q149 PolarHBondContact O-N 3.33Å; N146-K150 PolarHBondContact O-N 3.11Å
147I84.2Confident80.8Confident135 Ų13581 Ų8169%0.69239%0.392SS*.Hα-helixtrans-50.1-47.4178.8-62.6172.1000110.3K150 Y151I147-K150 WeakPolarHBondContact O-CB 3.49Å; I147-K150 PolarHBondContact O-N 3.38Å; I147-Y151 HydrophobicContact CG2-CD2 3.71Å; I147-Y151 HydrophobicContact CG2-CE2 3.79Å; I147-Y151 WeakPolarHBondContact O-CD2 3.44Å; I147-Y151 PolarHBondContact O-N 2.89Å
148W83.4Confident81.4Confident130 Ų13079.2 Ų79.249%0.49239%0.385SS..Hα-helixtrans-65.4-43.7177.8-177.4-158.6000112.6N146 K150 Y151 R152 V284N146-W148 PolarHBondContact O-N 3.03Å; W148-K150 PolarHBondContact O-N 3.01Å; W148-Y151 PolarHBondContact O-N 3.44Å; W148-R152 HydrophobicContact CD2-CB 3.93Å; W148-R152 HydrophobicContact CE3-CB 3.55Å; W148-R152 HydrophobicContact CE3-CG 4.49Å; W148-R152 HydrophobicContact CH2-CB 3.35Å; W148-R152 HydrophobicContact CH2-CG 3.46Å; W148-R152 VanDerWaalsContact CH2-CG 3.46Å; W148-R152 HydrophobicContact CZ2-CB 3.75Å; W148-R152 HydrophobicContact CZ2-CG 3.64Å; W148-R152 HydrophobicContact CZ3-CB 3.27Å; W148-R152 HydrophobicContact CZ3-CG 3.95Å; W148-R152 VanDerWaalsContact CZ3-N 3.31Å; W148-R152 WeakPolarHBondContact O-CB 3.39Å; W148-R152 PolarHBondContact O-N 3.2Å; W148-V284 HydrophobicContact CH2-CG2 4.08Å
149Q83.1Confident82.1Confident54 Ų5476.3 Ų76.325%0.25237%0.368SS..Hα-helixtrans-61.4-28.6176.1-71.9170.5-45.900112.7L136 L145 N146 P153L136-Q149 HydrophobicContact CD1-CB 4.11Å; L136-Q149 HydrophobicContact CD1-CG 4.31Å; L136-Q149 HydrophobicContact CD2-CG 4.28Å; L145-Q149 HydrophobicContact CD2-CB 3.86Å; N146-Q149 HydrophobicContact CB-CB 4.32Å; N146-Q149 HydrophobicContact CB-CG 4.24Å; N146-Q149 VanDerWaalsContact CB-OE1 3.28Å; N146-Q149 PolarHBondContact ND2-OE1 3.21Å; N146-Q149 CarbonylContact O-C 3.53Å; N146-Q149 WeakPolarHBondContact O-CA 3.42Å; N146-Q149 WeakPolarHBondContact O-CB 3.43Å; N146-Q149 PolarHBondContact O-N 3.33Å; Q149-P153 WeakPolarHBondContact O-CD 3.49Å
150K83.4Confident82.3Confident94 Ų9474.9 Ų74.941%0.40936%0.362SS..Hα-helixtrans-76.9-38.9175.6-173.8175.5-176.7172.70113.3Y131 L145 N146 I147 W148 K154Y131-K150 PolarHBondContact OH-O 3.44Å; L145-K150 HydrophobicContact CB-CB 4.35Å; N146-K150 PolarHBondContact O-N 3.11Å; I147-K150 WeakPolarHBondContact O-CB 3.49Å; I147-K150 PolarHBondContact O-N 3.38Å; W148-K150 PolarHBondContact O-N 3.01Å; K150-K154 WeakPolarHBondContact O-CD 3.23Å; K150-K154 WeakPolarHBondContact O-CG 3.38Å
151Y85.7Confident82.5Confident128 Ų12872 Ų7250%0.50235%0.352SS..Hα-helixtrans-86.2-30.2-178.9-74.9-74.5000113I147 W148 K154 V155I147-Y151 HydrophobicContact CG2-CD2 3.71Å; I147-Y151 HydrophobicContact CG2-CE2 3.79Å; I147-Y151 WeakPolarHBondContact O-CD2 3.44Å; I147-Y151 PolarHBondContact O-N 2.89Å; W148-Y151 PolarHBondContact O-N 3.44Å; Y151-K154 WeakPolarHBondContact O-CB 3.31Å; Y151-K154 PolarHBondContact O-N 3.35Å; Y151-K154 VanDerWaalsContact O-N 3.11Å; Y151-V155 WeakPolarHBondContact O-CG2 3.41Å; Y151-V155 PolarHBondContact O-N 3.42Å
152R86.7Confident82.5Confident57 Ų5768.1 Ų68.122%0.21533%0.328CS..Hα-helixtrans-52-55.3-178.2-179.3-176.8-170.4175.614.8113.8F134 W148 K154 V155 W156 V284 T285F134-R152 HydrophobicContact CD1-CG 4.26Å; F134-R152 HydrophobicContact CE1-CG 3.88Å; W148-R152 HydrophobicContact CD2-CB 3.93Å; W148-R152 HydrophobicContact CE3-CB 3.55Å; W148-R152 HydrophobicContact CE3-CG 4.49Å; W148-R152 HydrophobicContact CH2-CB 3.35Å; W148-R152 HydrophobicContact CH2-CG 3.46Å; W148-R152 VanDerWaalsContact CH2-CG 3.46Å; W148-R152 HydrophobicContact CZ2-CB 3.75Å; W148-R152 HydrophobicContact CZ2-CG 3.64Å; W148-R152 HydrophobicContact CZ3-CB 3.27Å; W148-R152 HydrophobicContact CZ3-CG 3.95Å; W148-R152 VanDerWaalsContact CZ3-N 3.31Å; W148-R152 WeakPolarHBondContact O-CB 3.39Å; W148-R152 PolarHBondContact O-N 3.2Å; R152-K154 VanDerWaalsContact C-N 3.25Å; R152-K154 PolarHBondContact O-N 2.75Å; R152-V155 PolarHBondContact O-N 3.45Å; R152-W156 WeakPolarHBondContact O-CB 3.14Å; R152-W156 PolarHBondContact O-N 3.22Å; R152-V284 HydrophobicContact CG-CG1 4.03Å; R152-V284 PolarHBondContact NE-O 3.07Å; R152-V284 PolarHBondContact NH2-O 2.97Å; R152-V284 VanDerWaalsContact O-CG1 3.22Å; R152-V284 WeakPolarHBondContact O-CG1 3.34Å; R152-T285 VanDerWaalsContact NH2-C 3.33Å; R152-T285 PolarHBondContact NH2-O 3.46Å
153P83.9Confident82.4Confident0 Ų071.1 Ų71.10%033%0.334CS..Hα-helixtrans-68.6-29.1-178.3-19.435.9000111.8L130 Y131 F134 L136 Q149 W156 A157L130-P153 HydrophobicContact CD1-CB 4.1Å; L130-P153 HydrophobicContact CD2-CB 3.95Å; L130-P153 HydrophobicContact CG-CB 3.66Å; Y131-P153 HydrophobicContact CD1-CB 4.48Å; Y131-P153 HydrophobicContact CD1-CG 3.85Å; Y131-P153 HydrophobicContact CE1-CB 4.41Å; Y131-P153 HydrophobicContact CE1-CG 3.79Å; F134-P153 HydrophobicContact CB-CG 4.47Å; F134-P153 HydrophobicContact CD1-CG 4.49Å; F134-P153 HydrophobicContact CD2-CB 3.7Å; F134-P153 HydrophobicContact CD2-CG 3.83Å; F134-P153 HydrophobicContact CE2-CB 3.72Å; F134-P153 HydrophobicContact CE2-CG 4.2Å; F134-P153 HydrophobicContact CG-CB 4.38Å; F134-P153 HydrophobicContact CG-CG 4.01Å; F134-P153 HydrophobicContact CZ-CB 4.43Å; L136-P153 HydrophobicContact CD1-CG 4.47Å; Q149-P153 WeakPolarHBondContact O-CD 3.49Å; P153-W156 WeakPolarHBondContact O-CB 3.49Å; P153-W156 PolarHBondContact O-N 2.91Å; P153-A157 WeakPolarHBondContact O-CB 3.47Å; P153-A157 PolarHBondContact O-N 3.05Å
154K84.1Confident82.4Confident93 Ų9365.5 Ų65.540%0.40431%0.305SS..Hα-helixtrans-68.7-45.1176.9-63.1-177.5-178.6-174.90112.2K150 Y151 R152 W156 A157 L158K150-K154 WeakPolarHBondContact O-CD 3.23Å; K150-K154 WeakPolarHBondContact O-CG 3.38Å; Y151-K154 WeakPolarHBondContact O-CB 3.31Å; Y151-K154 PolarHBondContact O-N 3.35Å; Y151-K154 VanDerWaalsContact O-N 3.11Å; R152-K154 VanDerWaalsContact C-N 3.25Å; R152-K154 PolarHBondContact O-N 2.75Å; K154-W156 VanDerWaalsContact C-N 3.29Å; K154-A157 PolarHBondContact O-N 2.58Å; K154-L158 PolarHBondContact O-N 3.34Å
155V88.4Confident82.7Confident43 Ų4360.2 Ų60.226%0.26129%0.286SS..Hα-helixtrans-65.3-37.9175.4179.20000110.1Y151 R152 A157 L158 F159 I280 V284Y151-V155 WeakPolarHBondContact O-CG2 3.41Å; Y151-V155 PolarHBondContact O-N 3.42Å; R152-V155 PolarHBondContact O-N 3.45Å; V155-A157 PolarHBondContact O-N 3.34Å; V155-L158 WeakPolarHBondContact O-CB 2.96Å; V155-L158 PolarHBondContact O-N 2.86Å; V155-L158 VanDerWaalsContact O-N 3.15Å; V155-F159 HydrophobicContact CG1-CD2 4.15Å; V155-F159 HydrophobicContact CG1-CE2 4.37Å; V155-F159 PolarHBondContact O-N 3.06Å; V155-I280 HydrophobicContact CG1-CG2 3.66Å; V155-V284 HydrophobicContact CB-CG2 4.1Å; V155-V284 HydrophobicContact CG1-CG2 3.68Å
156W87Confident83.1Confident24 Ų2465.1 Ų65.19%0.09131%0.311CS..Hα-helixtrans-57.9-50.1174.5-17173.3000111.4L130 F134 R152 P153 K154 L158 F159 E160 L161 V284L130-W156 HydrophobicContact CD1-CE3 3.85Å; L130-W156 HydrophobicContact CD1-CZ3 4.14Å; F134-W156 HydrophobicContact CE2-CB 4.15Å; F134-W156 HydrophobicContact CE2-CD2 4.05Å; F134-W156 HydrophobicContact CE2-CE3 4.1Å; F134-W156 HydrophobicContact CE2-CG 4.07Å; F134-W156 HydrophobicContact CZ-CB 3.67Å; F134-W156 AromaticContact CZ-CD2 3.96Å; F134-W156 HydrophobicContact CZ-CD2 3.96Å; F134-W156 HydrophobicContact CZ-CE3 4.47Å; F134-W156 AromaticContact CZ-CG 3.57Å; F134-W156 HydrophobicContact CZ-CG 3.57Å; R152-W156 WeakPolarHBondContact O-CB 3.14Å; R152-W156 PolarHBondContact O-N 3.22Å; P153-W156 WeakPolarHBondContact O-CB 3.49Å; P153-W156 PolarHBondContact O-N 2.91Å; K154-W156 VanDerWaalsContact C-N 3.29Å; W156-L158 PolarHBondContact O-N 3.24Å; W156-F159 PolarHBondContact O-N 3.23Å; W156-E160 HydrophobicContact CZ2-CB 4.14Å; W156-E160 HydrophobicContact CZ2-CG 4.14Å; W156-E160 WeakPolarHBondContact O-CB 3.23Å; W156-E160 PolarHBondContact O-N 2.97Å; W156-L161 HydrophobicContact CZ3-CD1 4.09Å; W156-V284 HydrophobicContact CB-CG1 3.31Å; W156-V284 HydrophobicContact CG-CG1 3.95Å
157A83.1Confident83.6Confident2 Ų261.1 Ų61.12%0.01730%0.296CS..Hα-helixtrans-63.9-28.217800000112.7Y125 L130 P153 K154 V155 L161 S164Y125-A157 HydrophobicContact CE2-CB 4.21Å; L130-A157 HydrophobicContact CD1-CB 4.08Å; L130-A157 HydrophobicContact CD2-CB 4.32Å; P153-A157 WeakPolarHBondContact O-CB 3.47Å; P153-A157 PolarHBondContact O-N 3.05Å; K154-A157 PolarHBondContact O-N 2.58Å; V155-A157 PolarHBondContact O-N 3.34Å; A157-L161 HydrophobicContact CB-CD1 4.1Å; A157-L161 WeakPolarHBondContact O-CB 3.4Å; A157-L161 PolarHBondContact O-N 3.27Å; A157-S164 WeakPolarHBondContact O-CB 3.44Å; A157-S164 PolarHBondContact O-OG 2.79Å
158L86.5Confident83.7Confident48 Ų4854.7 Ų54.725%0.25126%0.263SS..Hα-helixtrans-69.6-36.9177.5-171.569.9000112.5K154 V155 W156 A168 I171K154-L158 PolarHBondContact O-N 3.34Å; V155-L158 WeakPolarHBondContact O-CB 2.96Å; V155-L158 PolarHBondContact O-N 2.86Å; V155-L158 VanDerWaalsContact O-N 3.15Å; W156-L158 PolarHBondContact O-N 3.24Å; L158-A168 HydrophobicContact CD1-CB 4.03Å; L158-A168 VanDerWaalsContact CD1-N 3.35Å; L158-I171 HydrophobicContact CD1-CD1 3.93Å; L158-I171 HydrophobicContact CD2-CD1 3.58Å; L158-I171 HydrophobicContact CG-CD1 3.52Å
159F86.3Confident84Confident25 Ų2554 Ų5411%0.1126%0.263CS..Hα-helixtrans-99.6-23.5-174.5-83-92.6000115.4V155 W156 I171 E277 I280 R281V155-F159 HydrophobicContact CG1-CD2 4.15Å; V155-F159 HydrophobicContact CG1-CE2 4.37Å; V155-F159 PolarHBondContact O-N 3.06Å; W156-F159 PolarHBondContact O-N 3.23Å; F159-I171 HydrophobicContact CD1-CG2 4.29Å; F159-I171 HydrophobicContact CE1-CG2 4.17Å; F159-I171 HydrophobicContact CE2-CD1 4.42Å; F159-I171 HydrophobicContact CZ-CD1 4.43Å; F159-E277 HydrophobicContact CD1-CG 3.81Å; F159-E277 HydrophobicContact CE1-CG 3.95Å; F159-I280 HydrophobicContact CD1-CG2 4.5Å; F159-I280 HydrophobicContact CD2-CG2 3.65Å; F159-I280 HydrophobicContact CE1-CD1 4.07Å; F159-I280 HydrophobicContact CE1-CG2 4.49Å; F159-I280 HydrophobicContact CE2-CB 4.44Å; F159-I280 HydrophobicContact CE2-CD1 3.94Å; F159-I280 HydrophobicContact CE2-CG2 3.65Å; F159-I280 HydrophobicContact CG-CG2 4.1Å; F159-I280 HydrophobicContact CZ-CB 4.4Å; F159-I280 HydrophobicContact CZ-CD1 3.46Å; F159-I280 VanDerWaalsContact CZ-CD1 3.46Å; F159-I280 HydrophobicContact CZ-CG2 4.09Å; F159-R281 HydrophobicContact CB-CG 4.02Å; F159-R281 PolarHBondContact O-NE 3.02Å; F159-R281 VanDerWaalsContact O-NE 3.16Å; F159-R281 PolarHBondContact O-NH2 3.45Å
160E81.5Confident84.4Confident36 Ų3655.1 Ų55.117%0.16828%0.276CS..Hα-helixtrans-98.4-32.4178.6-73.2-73.3-168.500113.2W156 P162 R365W156-E160 HydrophobicContact CZ2-CB 4.14Å; W156-E160 HydrophobicContact CZ2-CG 4.14Å; W156-E160 WeakPolarHBondContact O-CB 3.23Å; W156-E160 PolarHBondContact O-N 2.97Å; E160-P162 WeakPolarHBondContact O-CD 3.37Å; E160-R365 IonicContact OE2-NE 3.02Å; E160-R365 PolarHBondContact OE2-NE 2.93Å
161L77.5Confident84.8Confident23 Ų2352.1 Ų52.112%0.1227%0.265CS..  trans-108.299.5-175.1-62.9168.4000110.5D121 W156 A157 H163 S164 A168D121-L161 WeakPolarHBondContact O-CD2 3.49Å; W156-L161 HydrophobicContact CZ3-CD1 4.09Å; A157-L161 HydrophobicContact CB-CD1 4.1Å; A157-L161 WeakPolarHBondContact O-CB 3.4Å; A157-L161 PolarHBondContact O-N 3.27Å; L161-H163 PolarHBondContact O-N 2.95Å; L161-S164 PolarHBondContact O-N 3.34Å; L161-S164 VanDerWaalsContact O-N 3.17Å; L161-S164 PolarHBondContact O-OG 3.26Å; L161-S164 VanDerWaalsContact O-OG 3.12Å; L161-A168 WeakPolarHBondContact O-CB 3.39Å
162P76.8Confident85Confident19 Ų1946.6 Ų46.612%0.12325%0.245CC..THydrogen-bonded Turntrans-62.9-20.1-176.425.9-34.9000113.4E160 A168 K169 A172E160-P162 WeakPolarHBondContact O-CD 3.37Å; P162-A168 CarbonylContact O-C 3.6Å; P162-K169 VanDerWaalsContact O-CG 3.26Å; P162-K169 WeakPolarHBondContact O-CG 3.38Å; P162-K169 PolarHBondContact O-N 3.49Å; P162-A172 HydrophobicContact CB-CB 3.76Å
163H74.8Confident85.2Confident144 Ų14449.3 Ų49.367%0.66726%0.263SS*.THydrogen-bonded Turntrans-1013.4-177.4-56.9-51.7000114.5L161 S165L161-H163 PolarHBondContact O-N 2.95Å; H163-S165 PolarHBondContact O-N 3.43Å
164S76.7Confident85.6Confident21 Ų2153 Ų5315%0.14728%0.283CS..SBendtrans-67.7-37.9-173.763.70000113.7A157 L161 A168A157-S164 WeakPolarHBondContact O-CB 3.44Å; A157-S164 PolarHBondContact O-OG 2.79Å; L161-S164 PolarHBondContact O-N 3.34Å; L161-S164 VanDerWaalsContact O-N 3.17Å; L161-S164 PolarHBondContact O-OG 3.26Å; L161-S164 VanDerWaalsContact O-OG 3.12Å; S164-A168 WeakPolarHBondContact OG-CB 3.4Å
165S84.4Confident86Confident45 Ų4548.6 Ų48.632%0.31526%0.264SS..  trans-152.5167.5-176.764.40000110.8H163 G167 A168 K169H163-S165 PolarHBondContact O-N 3.43Å; S165-G167 PolarHBondContact O-N 3.23Å; S165-A168 PolarHBondContact O-N 3.01Å; S165-A168 PolarHBondContact OG-N 3.06Å; S165-K169 PolarHBondContact O-N 3.25Å; S165-K169 VanDerWaalsContact O-N 3.09Å
166I87.8Confident86.1Confident135 Ų13549 Ų4969%0.69226%0.264SS*.Hα-helixtrans-59.2-37.7171.4-163.169.7000111.1A168 K169 C170I166-A168 PolarHBondContact O-N 2.86Å; I166-K169 HydrophobicContact CD1-CD 4.45Å; I166-K169 WeakPolarHBondContact O-CB 3.36Å; I166-K169 PolarHBondContact O-N 2.64Å; I166-C170 PolarHBondContact O-N 2.71Å; I166-C170 PolarHBondContact O-SG 3.2Å; I166-C170 VanDerWaalsContact O-SG 3.38Å
167G89.3Confident86.3Confident28 Ų2850.8 Ų50.829%0.28928%0.278SS..Hα-helixtrans-63.3-39.6175.300000112.7S165 K169 C170 I171S165-G167 PolarHBondContact O-N 3.23Å; G167-K169 VanDerWaalsContact C-N 3.33Å; G167-K169 PolarHBondContact O-N 2.75Å; G167-C170 PolarHBondContact O-N 3.49Å; G167-I171 WeakPolarHBondContact O-CG1 3.31Å; G167-I171 PolarHBondContact O-N 3.24Å
168A87.9Confident86.8Confident0 Ų051.4 Ų51.40%028%0.281CS..Hα-helixtrans-65.2-37.9175.900000111.8L158 L161 P162 S164 S165 I166 I171 A172L158-A168 HydrophobicContact CD1-CB 4.03Å; L158-A168 VanDerWaalsContact CD1-N 3.35Å; L161-A168 WeakPolarHBondContact O-CB 3.39Å; P162-A168 CarbonylContact O-C 3.6Å; S164-A168 WeakPolarHBondContact OG-CB 3.4Å; S165-A168 PolarHBondContact O-N 3.01Å; S165-A168 PolarHBondContact OG-N 3.06Å; I166-A168 PolarHBondContact O-N 2.86Å; A168-I171 PolarHBondContact O-N 2.82Å; A168-A172 WeakPolarHBondContact O-CB 3.34Å; A168-A172 PolarHBondContact O-N 2.84Å
169K89.2Confident87Confident114 Ų11449.2 Ų49.250%0.49627%0.27SS..Hα-helixtrans-63-42.6173.5-67.2177.9-178.7-178.60111.6P162 S165 I166 G167 A172 L173P162-K169 VanDerWaalsContact O-CG 3.26Å; P162-K169 WeakPolarHBondContact O-CG 3.38Å; P162-K169 PolarHBondContact O-N 3.49Å; S165-K169 PolarHBondContact O-N 3.25Å; S165-K169 VanDerWaalsContact O-N 3.09Å; I166-K169 HydrophobicContact CD1-CD 4.45Å; I166-K169 WeakPolarHBondContact O-CB 3.36Å; I166-K169 PolarHBondContact O-N 2.64Å; G167-K169 VanDerWaalsContact C-N 3.33Å; G167-K169 PolarHBondContact O-N 2.75Å; K169-A172 PolarHBondContact O-N 2.94Å; K169-L173 WeakPolarHBondContact O-CB 3.3Å; K169-L173 PolarHBondContact O-N 3.34Å
170C92Very high87.3Confident78 Ų7852 Ų5253%0.52729%0.285SS..Hα-helixtrans-64.4-44.4176.5-67.20000112.2I166 G167 L173 L174I166-C170 PolarHBondContact O-N 2.71Å; I166-C170 PolarHBondContact O-SG 3.2Å; I166-C170 VanDerWaalsContact O-SG 3.38Å; G167-C170 PolarHBondContact O-N 3.49Å; C170-L173 PolarHBondContact O-N 3.43Å; C170-L174 WeakPolarHBondContact O-CB 3.05Å; C170-L174 PolarHBondContact O-N 2.81Å
171I91.6Very high87.8Confident32 Ų3254.3 Ų54.316%0.16430%0.298CS..Hα-helixtrans-64-42.4176.7-72.8164.1000110.9L158 F159 G167 A168 L174 S175 W273L158-I171 HydrophobicContact CD1-CD1 3.93Å; L158-I171 HydrophobicContact CD2-CD1 3.58Å; L158-I171 HydrophobicContact CG-CD1 3.52Å; F159-I171 HydrophobicContact CD1-CG2 4.29Å; F159-I171 HydrophobicContact CE1-CG2 4.17Å; F159-I171 HydrophobicContact CE2-CD1 4.42Å; F159-I171 HydrophobicContact CZ-CD1 4.43Å; G167-I171 WeakPolarHBondContact O-CG1 3.31Å; G167-I171 PolarHBondContact O-N 3.24Å; A168-I171 PolarHBondContact O-N 2.82Å; I171-L174 PolarHBondContact O-N 3.31Å; I171-S175 PolarHBondContact O-N 3.46Å; I171-S175 PolarHBondContact O-OG 3.31Å; I171-W273 HydrophobicContact CG2-CZ2 4.35Å
172A88.9Confident88.4Confident11 Ų1153.3 Ų53.39%0.09129%0.293CS..Hα-helixtrans-64.5-38.2176.200000112.5P162 A168 K169 S175 I176P162-A172 HydrophobicContact CB-CB 3.76Å; A168-A172 WeakPolarHBondContact O-CB 3.34Å; A168-A172 PolarHBondContact O-N 2.84Å; K169-A172 PolarHBondContact O-N 2.94Å; A172-S175 WeakPolarHBondContact CA-OG 3.08Å; A172-S175 PolarHBondContact O-OG 3.5Å; A172-I176 WeakPolarHBondContact O-CD1 3.32Å; A172-I176 WeakPolarHBondContact O-CG1 2.88Å; A172-I176 PolarHBondContact O-N 3.04Å; A172-I176 VanDerWaalsContact O-N 3.1Å
173L91.4Very high89Confident114 Ų11454.6 Ų54.660%0.59730%0.299SS*.Hα-helixtrans-65.1-45.6174-175.168.7000110.7K169 C170 S175 I176 T177K169-L173 WeakPolarHBondContact O-CB 3.3Å; K169-L173 PolarHBondContact O-N 3.34Å; C170-L173 PolarHBondContact O-N 3.43Å; L173-S175 PolarHBondContact O-N 3.34Å; L173-I176 PolarHBondContact O-N 3.09Å; L173-T177 PolarHBondContact O-N 2.82Å; L173-T177 PolarHBondContact O-OG1 3.3Å; L173-T177 VanDerWaalsContact O-OG1 3.07Å
174L92.3Very high89.7Confident78 Ų7852 Ų5241%0.40829%0.289SS..Hα-helixtrans-60.1-44.8177.8-179.958.9000111.7C170 I171 I176 T177 C178 W273C170-L174 WeakPolarHBondContact O-CB 3.05Å; C170-L174 PolarHBondContact O-N 2.81Å; I171-L174 PolarHBondContact O-N 3.31Å; L174-I176 PolarHBondContact O-N 3.19Å; L174-T177 PolarHBondContact O-N 2.79Å; L174-C178 WeakPolarHBondContact O-CB 3.48Å; L174-C178 PolarHBondContact O-N 2.91Å; L174-C178 PolarHBondContact O-SG 3.46Å; L174-W273 HydrophobicContact CB-CZ2 4.48Å; L174-W273 HydrophobicContact CD2-CD2 4.33Å; L174-W273 HydrophobicContact CD2-CE3 4.18Å; L174-W273 HydrophobicContact CD2-CH2 3.36Å; L174-W273 HydrophobicContact CD2-CZ2 3.53Å; L174-W273 HydrophobicContact CD2-CZ3 3.71Å; L174-W273 HydrophobicContact CG-CH2 4.28Å; L174-W273 HydrophobicContact CG-CZ2 3.95Å
175S91.4Very high90.2Very high1 Ų151.1 Ų51.11%0.00728%0.283CS..Hα-helixtrans-63.4-41.9176.962.10000112.1I171 A172 L173 C178 I179 E277 H366I171-S175 PolarHBondContact O-N 3.46Å; I171-S175 PolarHBondContact O-OG 3.31Å; A172-S175 WeakPolarHBondContact CA-OG 3.08Å; A172-S175 PolarHBondContact O-OG 3.5Å; L173-S175 PolarHBondContact O-N 3.34Å; S175-C178 PolarHBondContact O-N 2.81Å; S175-I179 WeakPolarHBondContact O-CD1 3.35Å; S175-I179 WeakPolarHBondContact O-CG1 3.46Å; S175-I179 PolarHBondContact O-N 3.18Å; S175-E277 WeakPolarHBondContact CB-OE2 3.22Å; S175-H366 PolarHBondContact OG-CE1 3.33Å; S175-H366 PolarHBondContact OG-NE2 3.02Å
176I91.1Very high90.3Very high50 Ų5051.4 Ų51.426%0.25628%0.278SS..Hα-helixtrans-62-46.2175.2-67.9164.8000110.9A172 L173 L174 C178 I179 I180 L363 H366A172-I176 WeakPolarHBondContact O-CD1 3.32Å; A172-I176 WeakPolarHBondContact O-CG1 2.88Å; A172-I176 PolarHBondContact O-N 3.04Å; A172-I176 VanDerWaalsContact O-N 3.1Å; L173-I176 PolarHBondContact O-N 3.09Å; L174-I176 PolarHBondContact O-N 3.19Å; I176-C178 PolarHBondContact O-N 2.91Å; I176-I179 PolarHBondContact O-N 3.23Å; I176-I180 HydrophobicContact CG2-CD1 3.9Å; I176-I180 WeakPolarHBondContact O-CG1 3.11Å; I176-I180 PolarHBondContact O-N 3.01Å; I176-L363 HydrophobicContact CG1-CD2 4.3Å; I176-L363 HydrophobicContact CG2-CD2 4.28Å; I176-H366 HydrophobicContact CD1-CB 3.83Å; I176-H366 HydrophobicContact CG1-CB 4.18Å
177T92.3Very high90.2Very high63 Ų6348.5 Ų48.539%0.38727%0.268SS..Hα-helixtrans-62.1-43.4177.6-58.20000111.4L173 L174 I179 I180 L181L173-T177 PolarHBondContact O-N 2.82Å; L173-T177 PolarHBondContact O-OG1 3.3Å; L173-T177 VanDerWaalsContact O-OG1 3.07Å; L174-T177 PolarHBondContact O-N 2.79Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.83Å; T177-I180 PolarHBondContact O-N 3.35Å; T177-L181 HydrophobicContact CG2-CD1 3.96Å; T177-L181 HydrophobicContact CG2-CG 4.33Å; T177-L181 WeakPolarHBondContact O-CB 3.22Å; T177-L181 WeakPolarHBondContact O-CG 3.37Å; T177-L181 PolarHBondContact O-N 2.97Å
178C92.7Very high90.1Very high14 Ų1450.3 Ų50.310%0.09527%0.27CS..Hα-helixtrans-62.1-38.3174.9-71.50000112.5L174 S175 I176 S182 F274L174-C178 WeakPolarHBondContact O-CB 3.48Å; L174-C178 PolarHBondContact O-N 2.91Å; L174-C178 PolarHBondContact O-SG 3.46Å; S175-C178 PolarHBondContact O-N 2.81Å; I176-C178 PolarHBondContact O-N 2.91Å; C178-S182 VanDerWaalsContact O-CB 3.31Å; C178-S182 WeakPolarHBondContact O-CB 3.4Å; C178-S182 PolarHBondContact O-N 3.33Å; C178-S182 PolarHBondContact O-OG 3.44Å; C178-F274 HydrophobicContact CB-CE1 4.1Å; C178-F274 HydrophobicContact CB-CZ 4.09Å
179I91.2Very high89.9Confident2 Ų251.1 Ų51.11%0.0127%0.274CS..Hα-helixtrans-61.4-52.1175-68.8160.3000109.9S175 I176 T177 L181 S182 I183 F274 K362 L363S175-I179 WeakPolarHBondContact O-CD1 3.35Å; S175-I179 WeakPolarHBondContact O-CG1 3.46Å; S175-I179 PolarHBondContact O-N 3.18Å; I176-I179 PolarHBondContact O-N 3.23Å; T177-I179 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 2.83Å; I179-L181 PolarHBondContact O-N 2.93Å; I179-S182 PolarHBondContact O-N 2.85Å; I179-S182 PolarHBondContact O-OG 2.92Å; I179-I183 HydrophobicContact CG2-CD1 3.77Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 3.3Å; I179-F274 HydrophobicContact CB-CZ 4.42Å; I179-F274 HydrophobicContact CG1-CE1 3.8Å; I179-F274 HydrophobicContact CG1-CZ 3.65Å; I179-K362 HydrophobicContact CD1-CB 3.65Å; I179-K362 HydrophobicContact CD1-CD 4.42Å; I179-K362 HydrophobicContact CG1-CB 4.4Å; I179-L363 HydrophobicContact CD1-CD2 4.09Å; I179-L363 HydrophobicContact CG2-CD2 4.23Å; I179-L363 HydrophobicContact CG2-CG 4.23Å
180I91.5Very high89.5Confident84 Ų8450.4 Ų50.443%0.43128%0.28SS..Hα-helixtrans-59.8-48.5-179.4-65.7168.3000110.8I176 T177 S182 I183 L184I176-I180 HydrophobicContact CG2-CD1 3.9Å; I176-I180 WeakPolarHBondContact O-CG1 3.11Å; I176-I180 PolarHBondContact O-N 3.01Å; T177-I180 PolarHBondContact O-N 3.35Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.4Å; I180-I183 PolarHBondContact O-N 3.15Å; I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 HydrophobicContact CG2-CG 4.26Å; I180-L184 WeakPolarHBondContact O-CB 3.48Å; I180-L184 WeakPolarHBondContact O-CG 3.23Å; I180-L184 PolarHBondContact O-N 2.96Å
181L92.2Very high89Confident84 Ų8448.2 Ų48.244%0.4427%0.265SS..Hα-helixtrans-59.9-40.3178.2-73.2174.2000112.2T177 I179 A185T177-L181 HydrophobicContact CG2-CD1 3.96Å; T177-L181 HydrophobicContact CG2-CG 4.33Å; T177-L181 WeakPolarHBondContact O-CB 3.22Å; T177-L181 WeakPolarHBondContact O-CG 3.37Å; T177-L181 PolarHBondContact O-N 2.97Å; I179-L181 PolarHBondContact O-N 2.93Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.31Å; L181-A185 PolarHBondContact O-N 3.46Å
182S90.2Very high88.2Confident3 Ų350.7 Ų50.72%0.02128%0.283CS..Hα-helixtrans-67.4-36.9178.174.20000113.1C178 I179 I180 Y186C178-S182 VanDerWaalsContact O-CB 3.31Å; C178-S182 WeakPolarHBondContact O-CB 3.4Å; C178-S182 PolarHBondContact O-N 3.33Å; C178-S182 PolarHBondContact O-OG 3.44Å; I179-S182 PolarHBondContact O-N 2.85Å; I179-S182 PolarHBondContact O-OG 2.92Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.4Å; S182-Y186 WeakPolarHBondContact O-CB 3.46Å; S182-Y186 PolarHBondContact O-N 3.49Å
183I89.1Confident87.7Confident45 Ų4556.9 Ų56.923%0.23131%0.313CS..Hα-helixtrans-71-44177-66.2168.8000110I179 I180 Y186 C187 L360I179-I183 HydrophobicContact CG2-CD1 3.77Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 3.3Å; I180-I183 PolarHBondContact O-N 3.15Å; I183-Y186 PolarHBondContact O-N 2.97Å; I183-C187 PolarHBondContact O-N 3.42Å; I183-C187 PolarHBondContact O-SG 3.31Å; I183-L360 HydrophobicContact CD1-CB 4.12Å; I183-L360 HydrophobicContact CD1-CD1 3.81Å
184L89.9Confident86.9Confident91 Ų9155.6 Ų55.648%0.47630%0.303SS..Hα-helixtrans-62.4-43.8176.5-70175.4000111.6I180 Y186 C187 M188I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 HydrophobicContact CG2-CG 4.26Å; I180-L184 WeakPolarHBondContact O-CB 3.48Å; I180-L184 WeakPolarHBondContact O-CG 3.23Å; I180-L184 PolarHBondContact O-N 2.96Å; L184-Y186 VanDerWaalsContact C-N 3.33Å; L184-Y186 PolarHBondContact O-N 3.23Å; L184-C187 PolarHBondContact O-N 3.3Å; L184-M188 HydrophobicContact CB-CE 4.29Å; L184-M188 WeakPolarHBondContact O-CB 3.4Å; L184-M188 WeakPolarHBondContact O-CE 3.43Å; L184-M188 VanDerWaalsContact O-CG 3.3Å; L184-M188 WeakPolarHBondContact O-CG 3.37Å; L184-M188 PolarHBondContact O-N 3.15Å
185A88.3Confident85.8Confident1 Ų152.6 Ų52.61%0.00829%0.289CS..Hα-helixtrans-59.1-44.4174.800000111.5L181 M188 D189 F263 I266L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.31Å; L181-A185 PolarHBondContact O-N 3.46Å; A185-M188 PolarHBondContact O-N 3.47Å; A185-D189 WeakPolarHBondContact O-CB 3.43Å; A185-D189 PolarHBondContact O-N 3.25Å; A185-F263 HydrophobicContact CB-CD1 4.22Å; A185-I266 HydrophobicContact CB-CB 4.45Å; A185-I266 HydrophobicContact CB-CG2 3.93Å
186Y85.2Confident84.5Confident52 Ų5255.9 Ų55.920%0.20431%0.309CS..Hα-helixtrans-62.2-44.3175.9175.7-106.6000113S182 I183 L184 M188 D189 T190 R356 V357S182-Y186 WeakPolarHBondContact O-CB 3.46Å; S182-Y186 PolarHBondContact O-N 3.49Å; I183-Y186 PolarHBondContact O-N 2.97Å; L184-Y186 VanDerWaalsContact C-N 3.33Å; L184-Y186 PolarHBondContact O-N 3.23Å; Y186-M188 VanDerWaalsContact C-N 3.34Å; Y186-M188 PolarHBondContact O-N 2.79Å; Y186-D189 PolarHBondContact O-N 3.33Å; Y186-T190 PolarHBondContact O-N 3.37Å; Y186-T190 PolarHBondContact O-OG1 2.78Å; Y186-T190 VanDerWaalsContact O-OG1 3.04Å; Y186-R356 HydrophobicContact CD2-CB 4.48Å; Y186-V357 HydrophobicContact CD1-CG2 4.48Å; Y186-V357 HydrophobicContact CE1-CG2 3.81Å
187C87.4Confident83.1Confident73 Ų7357.7 Ų57.749%0.49332%0.324SS..Hα-helixtrans-63.4-40.8176.3-67.30000111.7I183 L184 T190I183-C187 PolarHBondContact O-N 3.42Å; I183-C187 PolarHBondContact O-SG 3.31Å; L184-C187 PolarHBondContact O-N 3.3Å; C187-T190 PolarHBondContact O-N 3.43Å
188M86.6Confident81.4Confident67 Ų6759 Ų5933%0.3333%0.328SS..Hα-helixtrans-70.2-36177.6-70.8-175.4-68.900112.5L184 A185 Y186 T190 S191 F194 F263L184-M188 HydrophobicContact CB-CE 4.29Å; L184-M188 WeakPolarHBondContact O-CB 3.4Å; L184-M188 WeakPolarHBondContact O-CE 3.43Å; L184-M188 VanDerWaalsContact O-CG 3.3Å; L184-M188 WeakPolarHBondContact O-CG 3.37Å; L184-M188 PolarHBondContact O-N 3.15Å; A185-M188 PolarHBondContact O-N 3.47Å; Y186-M188 VanDerWaalsContact C-N 3.34Å; Y186-M188 PolarHBondContact O-N 2.79Å; M188-T190 PolarHBondContact O-N 3.07Å; M188-S191 PolarHBondContact O-N 3.19Å; M188-S191 VanDerWaalsContact O-N 3.11Å; M188-F194 HydrophobicContact CB-CD2 4.05Å; M188-F194 HydrophobicContact CB-CE2 4.31Å; M188-F194 HydrophobicContact CG-CD2 4.39Å; M188-F194 HydrophobicContact CG-CE2 4.14Å; M188-F263 HydrophobicContact CB-CE1 3.9Å; M188-F263 HydrophobicContact CB-CE2 4.2Å; M188-F263 HydrophobicContact CB-CZ 3.66Å; M188-F263 HydrophobicContact CE-CD1 4.3Å; M188-F263 HydrophobicContact CE-CE1 3.54Å; M188-F263 HydrophobicContact CE-CZ 4.27Å; M188-F263 HydrophobicContact SD-CE1 4.02Å; M188-F263 HydrophobicContact SD-CZ 4.17Å
189D82.8Confident79.8Confident17 Ų1764 Ų649%0.09135%0.352CS..Hα-helixtrans-62-29.4176.2-166.945.3000111.9A185 Y186 S191 K259A185-D189 WeakPolarHBondContact O-CB 3.43Å; A185-D189 PolarHBondContact O-N 3.25Å; Y186-D189 PolarHBondContact O-N 3.33Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-K259 WeakPolarHBondContact OD1-CG 3.32Å; D189-K259 WeakPolarHBondContact OD2-CD 3.41Å; D189-K259 VanDerWaalsContact OD2-CE 3.32Å; D189-K259 WeakPolarHBondContact OD2-CE 3.39Å; D189-K259 IonicContact OD2-NZ 2.78Å; D189-K259 PolarHBondContact OD2-NZ 3.47Å
190T81.4Confident77.9Confident99 Ų9969.7 Ų69.761%0.60737%0.374SS*.THydrogen-bonded Turntrans-76.2-20.1177.2-50.30000113.1Y186 C187 M188Y186-T190 PolarHBondContact O-N 3.37Å; Y186-T190 PolarHBondContact O-OG1 2.78Å; Y186-T190 VanDerWaalsContact O-OG1 3.04Å; C187-T190 PolarHBondContact O-N 3.43Å; M188-T190 PolarHBondContact O-N 3.07Å
191S81.4Confident76.1Confident31 Ų3169.7 Ų69.722%0.21738%0.378CS..  trans-79131.6-176.5178.40000111.6M188 D189 I193 F194M188-S191 PolarHBondContact O-N 3.19Å; M188-S191 VanDerWaalsContact O-N 3.11Å; D189-S191 VanDerWaalsContact C-N 3.34Å; S191-I193 PolarHBondContact O-N 3.41Å; S191-I193 VanDerWaalsContact O-N 3.14Å; S191-I193 PolarHBondContact OG-N 3.1Å; S191-F194 PolarHBondContact O-N 3.07Å
192P75.8Confident74.3Confident84 Ų8468.7 Ų68.755%0.54537%0.371SS..G310 helixtrans-64.3-20.1177.527.6-34.9000112.4F194 S195P192-F194 VanDerWaalsContact C-N 3.28Å; P192-F194 PolarHBondContact O-N 2.8Å; P192-S195 PolarHBondContact O-N 3.07Å
193I78.2Confident72.6Confident142 Ų14272.9 Ų72.973%0.72839%0.393SS*.G310 helixtrans-64.4-34.9179-60171.8000111.3S191S191-I193 PolarHBondContact O-N 3.41Å; S191-I193 VanDerWaalsContact O-N 3.14Å; S191-I193 PolarHBondContact OG-N 3.1Å
194F74.8Confident71.1Confident86 Ų8674.2 Ų74.238%0.37740%0.4SS..G310 helixtrans-100.28.8-178.8-56.8-69.1000113M188 S191 P192 N260 F263M188-F194 HydrophobicContact CB-CD2 4.05Å; M188-F194 HydrophobicContact CB-CE2 4.31Å; M188-F194 HydrophobicContact CG-CD2 4.39Å; M188-F194 HydrophobicContact CG-CE2 4.14Å; S191-F194 PolarHBondContact O-N 3.07Å; P192-F194 VanDerWaalsContact C-N 3.28Å; P192-F194 PolarHBondContact O-N 2.8Å; F194-N260 PolarHBondContact O-ND2 3.43Å; F194-F263 HydrophobicContact CB-CE2 3.78Å; F194-F263 HydrophobicContact CB-CZ 4.28Å; F194-F263 HydrophobicContact CG-CE2 4.31Å; F194-F263 HydrophobicContact CG-CZ 4.31Å
195S69.2Low69.3Low16 Ų1673.1 Ų73.111%0.11239%0.394CS..SBendtrans-104.5123.2177.5-75.40000110.2P192 P197P192-S195 PolarHBondContact O-N 3.07Å; S195-P197 WeakPolarHBondContact O-CD 3.35Å
196T63.4Low67.8Low69 Ų6976.6 Ų76.642%0.42342%0.415SS..EExtended strand (participates in β ladder)trans-72.8123.2176.851.50000109.8L198 K258T196-L198 PolarHBondContact O-N 2.75Å; T196-K258 PolarHBondContact N-O 3.42Å; T196-K258 PolarHBondContact O-N 3.48Å; T196-K258 PolarHBondContact OG1-O 3.43Å; T196-K258 VanDerWaalsContact OG1-O 3.09Å
197P61.9Low66.3Low88 Ų8877.6 Ų77.657%0.57143%0.427SS*.EExtended strand (participates in β ladder)trans-70.8119.5177.328.5-32.6000109.1S195 Y257S195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-Y257 HydrophobicContact CB-CE1 4.49Å
198L57.1Low64.1Low90 Ų9079.6 Ų79.647%0.47143%0.433SS..EExtended strand (participates in β ladder)trans-90.5102.9170.6-159.6132.7000107.5T196 R200 Q256 K258T196-L198 PolarHBondContact O-N 2.75Å; L198-R200 PolarHBondContact O-N 3.41Å; L198-Q256 VanDerWaalsContact CB-O 3.22Å; L198-Q256 WeakPolarHBondContact CB-O 3.12Å; L198-Q256 PolarHBondContact N-O 3.11Å; L198-K258 HydrophobicContact CD1-CD 4.38Å
199I57.9Low62Low119 Ų11985.3 Ų85.361%0.6147%0.465SS*.  trans-76.4113.5176.1-59.2172.9000107.3T201 M252I199-T201 HydrophobicContact CG2-CG2 4.46Å; I199-M252 HydrophobicContact CG2-CE 4.28Å; I199-M252 HydrophobicContact CG2-SD 3.37Å; I199-M252 WeakPolarHBondContact CG2-SD 3.16Å
200R52.1Low60.3Low122 Ų12292.4 Ų92.446%0.4649%0.491SS..  trans-95117.5165.5-178.7-176.3-76.9-138.5-1.5108L198 E202L198-R200 PolarHBondContact O-N 3.41Å; R200-E202 WeakPolarHBondContact CD-OE1 3.38Å; R200-E202 HydrophobicContact CG-CG 4.13Å; R200-E202 IonicContact NH1-OE1 3.97Å
201T52.8Low58.3Low84 Ų8495.1 Ų95.152%0.51550%0.5SS..EExtended strand (participates in β ladder)trans-92.5115.5169.530.60000109.1I199 I250 M252I199-T201 HydrophobicContact CG2-CG2 4.46Å; T201-I250 HydrophobicContact CG2-CG2 3.84Å; T201-M252 HydrophobicContact CG2-CE 4.25Å; T201-M252 HydrophobicContact CG2-SD 3.84Å
202E54.3Low56.2Low64 Ų6499.1 Ų99.130%0.29952%0.52SS..EExtended strand (participates in β ladder)trans-101.9129.4167.4-63.5-165.7168.600108.8R200 I251R200-E202 WeakPolarHBondContact CD-OE1 3.38Å; R200-E202 HydrophobicContact CG-CG 4.13Å; R200-E202 IonicContact NH1-OE1 3.97Å; E202-I251 PolarHBondContact O-N 2.93Å
203L55.9Low54.3Low91 Ų9199.8 Ų99.848%0.47652%0.522SS..EExtended strand (participates in β ladder)trans-88.2118.6168.3-94.888.3000107.9F244 Y248L203-F244 HydrophobicContact CD2-CE1 4.13Å; L203-Y248 HydrophobicContact CD2-CD1 4.21Å; L203-Y248 HydrophobicContact CD2-CG 4.25Å
204I56.8Low52.3Low73 Ų7398.8 Ų98.837%0.37452%0.523SS..EExtended strand (participates in β ladder)trans-102.4123.9170.8-63.2174.8000108Y248 T249 I251I204-Y248 VanDerWaalsContact O-CA 3.27Å; I204-Y248 WeakPolarHBondContact O-CA 3.41Å; I204-T249 PolarHBondContact N-O 3.21Å; I204-T249 VanDerWaalsContact N-O 3.13Å; I204-T249 PolarHBondContact O-N 3.45Å; I204-I251 HydrophobicContact CD1-CB 4.43Å; I204-I251 HydrophobicContact CD1-CD1 3.42Å; I204-I251 VanDerWaalsContact CD1-CD1 3.42Å; I204-I251 HydrophobicContact CD1-CG1 3.85Å
205N52.2Low50.4Low67 Ų6799 Ų9936%0.35853%0.532SS..EExtended strand (participates in β ladder)trans-81.1117172.8-15617.6000108.7T207 N247 Y248N205-T207 PolarHBondContact O-N 3.09Å; N205-N247 CarbonylContact C-O 3.4Å; N205-N247 VanDerWaalsContact CA-O 3.23Å; N205-N247 WeakPolarHBondContact CA-O 3.26Å; N205-N247 PolarHBondContact OD1-O 3.25Å; N205-Y248 HydrophobicContact CB-CD1 4.03Å; N205-Y248 HydrophobicContact CB-CE1 3.95Å; N205-Y248 WeakPolarHBondContact OD1-CD1 3.4Å; N205-Y248 WeakPolarHBondContact OD1-CE1 3.46Å
206T55.9Low48.8Very low75 Ų75105.3 Ų105.346%0.4656%0.562SS.*THydrogen-bonded Turntrans-83.917.7-172.659.10000113.9N247 T249T206-N247 PolarHBondContact N-O 3.39Å; T206-N247 VanDerWaalsContact OG1-C 3.28Å; T206-N247 VanDerWaalsContact OG1-CA 3.29Å; T206-N247 WeakPolarHBondContact OG1-CA 3.2Å; T206-N247 PolarHBondContact OG1-O 3.05Å; T206-N247 VanDerWaalsContact OG1-O 3.12Å; T206-T249 HydrophobicContact CG2-CG2 3.78Å
207T53.7Low47.4Very low73 Ų73108.5 Ų108.545%0.44858%0.577SS.*THydrogen-bonded Turntrans-116.5-4.2-173.751.80000116.6N205 N247N205-T207 PolarHBondContact O-N 3.09Å; T207-N247 HydrophobicContact CG2-CB 3.86Å; T207-N247 VanDerWaalsContact CG2-CG 3.41Å
208D42.5Very low46Very low114 Ų114110.8 Ų110.861%0.6159%0.589SS**  trans-130.8127.3178.3-64.3-57.4000110.4Y210D208-Y210 PolarHBondContact O-N 3.37Å
209D42.1Very low44.7Very low188 Ų188114.9 Ų114.9100%1.00561%0.611SS**SBendtrans-63.733.7169.5-98.7-22.6000112.3
210Y46.6Very low43.4Very low166 Ų166113.9 Ų113.965%0.65161%0.614SS**SBendtrans-139.4109.9-178.6-165.9-106000109.4D208 D212D208-Y210 PolarHBondContact O-N 3.37Å; Y210-D212 HydrophobicContact CD1-CB 4.47Å; Y210-D212 VanDerWaalsContact CE1-OD1 3.26Å; Y210-D212 WeakPolarHBondContact CE1-OD1 3.38Å; Y210-D212 WeakPolarHBondContact CE1-OD2 3.49Å; Y210-D212 PolarHBondContact O-N 2.96Å
211I40.7Very low42.3Very low155 Ų155113 Ų11380%0.79563%0.627SS**  trans-7391.5179.7-58.4171.3000108.4
212D35.3Very low41.2Very low116 Ų116114.7 Ų114.762%0.6264%0.637SS**  trans-96.298.6165.6-93.5-24.4000110Y210 T214Y210-D212 HydrophobicContact CD1-CB 4.47Å; Y210-D212 VanDerWaalsContact CE1-OD1 3.26Å; Y210-D212 WeakPolarHBondContact CE1-OD1 3.38Å; Y210-D212 WeakPolarHBondContact CE1-OD2 3.49Å; Y210-D212 PolarHBondContact O-N 2.96Å; D212-T214 PolarHBondContact O-N 2.84Å; D212-T214 VanDerWaalsContact O-N 3.11Å
213T36.9Very low40.1Very low98 Ų98116 Ų11660%0.60165%0.654SS**  trans-80.382.8177.6-380000110.3T215T213-T215 PolarHBondContact O-N 3.09Å
214T37.1Very low39.1Very low121 Ų121118.6 Ų118.674%0.74267%0.673SS**  trans-84.8106.8171.555.50000110.9D212 I216D212-T214 PolarHBondContact O-N 2.84Å; D212-T214 VanDerWaalsContact O-N 3.11Å; T214-I216 PolarHBondContact O-N 3.15Å
215T34.1Very low37.9Very low91 Ų91118.1 Ų118.156%0.55869%0.686SS**  trans-72.4110.3172.212.10000109.8T213 N217T213-T215 PolarHBondContact O-N 3.09Å; T215-N217 PolarHBondContact O-N 3.35Å; T215-N217 VanDerWaalsContact O-N 3.08Å
216I35.6Very low36.9Very low148 Ų148121 Ų12176%0.75971%0.707SS**  trans-77.994.5171-59.2177.1000108T214T214-I216 PolarHBondContact O-N 3.15Å
217N33.3Very low35.7Very low136 Ų136123.2 Ų123.273%0.72772%0.72SS**  trans-67.8128.8166.6-75.6-25.4000109.2T215 L219T215-N217 PolarHBondContact O-N 3.35Å; T215-N217 VanDerWaalsContact O-N 3.08Å; N217-L219 PolarHBondContact O-N 2.94Å
218T32.8Very low34.7Very low135 Ų135126.8 Ų126.883%0.82874%0.742SS**  trans-56.4110.7174.536.20000110.6S220T218-S220 PolarHBondContact O-N 3.18Å; T218-S220 VanDerWaalsContact O-N 3.17Å
219L30.6Very low34.2Very low176 Ų176126.9 Ų126.992%0.92175%0.752SS**  trans-62.1111175.5-156.978.4000109.2N217N217-L219 PolarHBondContact O-N 2.94Å
220S29.7Very low33.7Very low98 Ų98123.1 Ų123.169%0.68574%0.74SS**  trans-97.4130.5167.943.10000109.1T218T218-S220 PolarHBondContact O-N 3.18Å; T218-S220 VanDerWaalsContact O-N 3.17Å
221S28.9Very low32.9Very low104 Ų104120.7 Ų120.773%0.72775%0.748SS**  trans58.5129.4164.748.90000116.4
222T30.7Very low32.5Very low119 Ų119121.3 Ų121.373%0.7375%0.751SS**  -172.8133.266.8-43.80000109.6
223S31.1Very low32.1Very low93 Ų93121.1 Ų121.165%0.6576%0.759SS**  trans40.6119.9148650000121
224T33.4Very low31.7Very low144 Ų144121.1 Ų121.188%0.88376%0.763SS**  169.9142.497.136.90000111.1
225G31.7Very low31.2Very low63 Ų63120.7 Ų120.765%0.64976%0.76SS**  trans10293146.300000119.1
226T32.8Very low31Very low129 Ų129123.6 Ų123.679%0.79178%0.777SS**  trans71.1102.7133.154.40000121.4
227T31Very low30.5Very low121 Ų121122.2 Ų122.274%0.74278%0.78SS**  52.1108.112561.30000119.2
228T32.5Very low30.3Very low147 Ų147120.7 Ų120.790%0.90278%0.781SS**  -178.8138.497.330.70000110.2
229S30.2Very low30.1Very low117 Ų117121.6 Ų121.682%0.81878%0.779SS**  trans-88.3131.9-170.743.10000112.9
230S33.4Very low30.1Very low108 Ų108120.9 Ų120.976%0.75577%0.765SS**  trans-163.2101148.252.40000111.5
231S30Very low30.2Very low116 Ų116127.3 Ų127.381%0.81178%0.776SS**  trans10.5107.4144.155.60000119.1
232I30.7Very low30.4Very low167 Ų167128.5 Ų128.586%0.85677%0.774SS**  trans-137105.9141.1-60.7-177.4000107.3
233S28.1Very low30.6Very low113 Ų113132.3 Ų132.379%0.7978%0.781SS**  trans-95.8150.1167-154.10000107.4
234S28.1Very low31.2Very low98 Ų98133.8 Ų133.869%0.68578%0.775SS**SBendtrans84.1132.5175.877.60000117.5
235T27.4Very low31.6Very low112 Ų112132.4 Ų132.469%0.68776%0.762SS**  trans86.452.9175.166.50000118.9S237T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.49Å
236V28.1Very low32.6Very low152 Ų152134.7 Ų134.792%0.92177%0.769SS**THydrogen-bonded Turntrans-87.775.9157.5-1740000108.3
237S26.9Very low33.6Very low118 Ų118131.2 Ų131.283%0.82575%0.745SS**THydrogen-bonded Turntrans-144.51173.8-52.10000114.4T235T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.49Å
238S28.9Very low34.6Very low105 Ų105130.1 Ų130.173%0.73473%0.728SS**SBendtrans-163.659.7-177.961.20000113
239I28.6Very low35.4Very low153 Ų153126.2 Ų126.279%0.78570%0.704SS**  trans-143.799.1170.3-54.2177.4000107.9
240Y29.7Very low36.5Very low161 Ų161125.5 Ų125.563%0.63169%0.69SS**  169.558.4129.8-150.8-102.2000110.3F244Y240-F244 AromaticContact CE1-CD2 3.66Å; Y240-F244 HydrophobicContact CE1-CD2 3.66Å; Y240-F244 AromaticContact CE1-CE2 3.85Å; Y240-F244 HydrophobicContact CE1-CE2 3.85Å
241Y31.3Very low37.4Very low234 Ų234123.9 Ų123.992%0.91867%0.672SS**  trans-11066.6152.8-75.2-73.2000106.6
242D34.2Very low38.4Very low128 Ų128124.3 Ų124.368%0.68466%0.663SS**SBendtrans-132.2101.5173.1-135.4-11.6000108.5F244D242-F244 PolarHBondContact O-N 2.89Å
243K35.2Very low39.1Very low200 Ų200120.5 Ų120.587%0.8764%0.644SS**  trans56.955.1157.3-147.4172.4-168.6174.20116.5
244F42.4Very low40.1Very low124 Ų124119.4 Ų119.454%0.54463%0.63SS.*  trans-83.3127.6157.6-120.2-103.8000109.3L203 Y240 D242 Y248L203-F244 HydrophobicContact CD2-CE1 4.13Å; Y240-F244 AromaticContact CE1-CD2 3.66Å; Y240-F244 HydrophobicContact CE1-CD2 3.66Å; Y240-F244 AromaticContact CE1-CE2 3.85Å; Y240-F244 HydrophobicContact CE1-CE2 3.85Å; D242-F244 PolarHBondContact O-N 2.89Å; F244-Y248 AromaticContact CD1-CD2 3.91Å; F244-Y248 HydrophobicContact CD1-CD2 3.91Å; F244-Y248 HydrophobicContact CD1-CE2 4.49Å; F244-Y248 HydrophobicContact CD1-CG 4.48Å; F244-Y248 HydrophobicContact CE1-CD2 4.36Å
245N41.8Very low41.2Very low114 Ų114122.6 Ų122.661%0.6163%0.631SS**  trans-45.7142.8-174.8-149.68.1000112N247 Y248N245-N247 PolarHBondContact O-N 3.19Å; N245-Y248 HydrophobicContact CB-CD2 4.49Å; N245-Y248 HydrophobicContact CB-CE2 4.19Å; N245-Y248 WeakPolarHBondContact O-CD2 3.39Å; N245-Y248 PolarHBondContact O-N 3.24Å
246S53.8Low42.3Very low112 Ų112123.4 Ų123.478%0.78363%0.627SS**THydrogen-bonded Turntrans-58.713.3-170.9-59.80000117.4
247N54.2Low43.9Very low56 Ų56121.1 Ų121.130%0.29960%0.603SS.*THydrogen-bonded Turntrans-114.45.9-174.9-61-6.3000113N205 T206 T207 N245N205-N247 CarbonylContact C-O 3.4Å; N205-N247 VanDerWaalsContact CA-O 3.23Å; N205-N247 WeakPolarHBondContact CA-O 3.26Å; N205-N247 PolarHBondContact OD1-O 3.25Å; T206-N247 PolarHBondContact N-O 3.39Å; T206-N247 VanDerWaalsContact OG1-C 3.28Å; T206-N247 VanDerWaalsContact OG1-CA 3.29Å; T206-N247 WeakPolarHBondContact OG1-CA 3.2Å; T206-N247 PolarHBondContact OG1-O 3.05Å; T206-N247 VanDerWaalsContact OG1-O 3.12Å; T207-N247 HydrophobicContact CG2-CB 3.86Å; T207-N247 VanDerWaalsContact CG2-CG 3.41Å; N245-N247 PolarHBondContact O-N 3.19Å
248Y50.7Low45.8Very low97 Ų97121.9 Ų121.938%0.3859%0.591SS.*EExtended strand (participates in β ladder)trans-126124.5179.5-48.3-84.3000111.4L203 I204 N205 F244 N245L203-Y248 HydrophobicContact CD2-CD1 4.21Å; L203-Y248 HydrophobicContact CD2-CG 4.25Å; I204-Y248 VanDerWaalsContact O-CA 3.27Å; I204-Y248 WeakPolarHBondContact O-CA 3.41Å; N205-Y248 HydrophobicContact CB-CD1 4.03Å; N205-Y248 HydrophobicContact CB-CE1 3.95Å; N205-Y248 WeakPolarHBondContact OD1-CD1 3.4Å; N205-Y248 WeakPolarHBondContact OD1-CE1 3.46Å; F244-Y248 AromaticContact CD1-CD2 3.91Å; F244-Y248 HydrophobicContact CD1-CD2 3.91Å; F244-Y248 HydrophobicContact CD1-CE2 4.49Å; F244-Y248 HydrophobicContact CD1-CG 4.48Å; F244-Y248 HydrophobicContact CE1-CD2 4.36Å; N245-Y248 HydrophobicContact CB-CD2 4.49Å; N245-Y248 HydrophobicContact CB-CE2 4.19Å; N245-Y248 WeakPolarHBondContact O-CD2 3.39Å; N245-Y248 PolarHBondContact O-N 3.24Å
249T50Low47.8Very low66 Ų66120.8 Ų120.841%0.40557%0.573SS.*EExtended strand (participates in β ladder)trans-101.9127.7167.352.90000109I204 T206 I251I204-T249 PolarHBondContact N-O 3.21Å; I204-T249 VanDerWaalsContact N-O 3.13Å; I204-T249 PolarHBondContact O-N 3.45Å; T206-T249 HydrophobicContact CG2-CG2 3.78Å; T249-I251 PolarHBondContact O-N 3.39Å
250I54.1Low50.2Low102 Ų102115.8 Ų115.852%0.52355%0.548SS..EExtended strand (participates in β ladder)trans-84.4105.1172.2-58.8173.6000106.2T201T201-I250 HydrophobicContact CG2-CG2 3.84Å
251I52.2Low52.7Low73 Ų73113.2 Ų113.237%0.37454%0.544SS..EExtended strand (participates in β ladder)trans-93.5115.4171.4-53.7-165.6000107.9E202 I204 T249 N253E202-I251 PolarHBondContact O-N 2.93Å; I204-I251 HydrophobicContact CD1-CB 4.43Å; I204-I251 HydrophobicContact CD1-CD1 3.42Å; I204-I251 VanDerWaalsContact CD1-CD1 3.42Å; I204-I251 HydrophobicContact CD1-CG1 3.85Å; T249-I251 PolarHBondContact O-N 3.39Å; I251-N253 HydrophobicContact CG2-CB 3.9Å; I251-N253 PolarHBondContact O-N 2.89Å
252M50.7Low55.4Low125 Ų125107.4 Ų107.462%0.61653%0.528SS*.EExtended strand (participates in β ladder)trans-74.877.5167.5-65.6-77.1-16300108I199 T201I199-M252 HydrophobicContact CG2-CE 4.28Å; I199-M252 HydrophobicContact CG2-SD 3.37Å; I199-M252 WeakPolarHBondContact CG2-SD 3.16Å; T201-M252 HydrophobicContact CG2-CE 4.25Å; T201-M252 HydrophobicContact CG2-SD 3.84Å
253N45.4Very low57.9Low87 Ų87102.1 Ų102.147%0.46550%0.499SS..  trans-101.6134.4180-146.9-1.3000111.2I251I251-N253 HydrophobicContact CG2-CB 3.9Å; I251-N253 PolarHBondContact O-N 2.89Å
254N49.2Very low60.1Low91 Ų9196.8 Ų96.849%0.48748%0.479SS..  trans77.798.9179.1-55.3-32.8000116.5Q256N254-Q256 HydrophobicContact CB-CG 4.16Å; N254-Q256 PolarHBondContact O-N 3.26Å
255K49.5Very low62.4Low164 Ų16497.8 Ų97.871%0.71348%0.48SS*.  trans-64.575.3155.7-74176.1177.5173.50109Y257K255-Y257 HydrophobicContact CB-CE2 3.92Å; K255-Y257 PolarHBondContact O-N 3.03Å
256Q52.2Low64.7Low129 Ų12994.8 Ų94.860%0.60346%0.463SS*.EExtended strand (participates in β ladder)trans-81.4112.4167.4-71.2-139.41.500108.7L198 N254 K258L198-Q256 VanDerWaalsContact CB-O 3.22Å; L198-Q256 WeakPolarHBondContact CB-O 3.12Å; L198-Q256 PolarHBondContact N-O 3.11Å; N254-Q256 HydrophobicContact CB-CG 4.16Å; N254-Q256 PolarHBondContact O-N 3.26Å; Q256-K258 PolarHBondContact O-N 3.29Å
257Y61Low66.3Low104 Ų10490 Ų9041%0.40843%0.429SS..EExtended strand (participates in β ladder)trans-82.9113.7177-76-68.8000109.1P197 K255P197-Y257 HydrophobicContact CB-CE1 4.49Å; K255-Y257 HydrophobicContact CB-CE2 3.92Å; K255-Y257 PolarHBondContact O-N 3.03Å
258K66.8Low67.9Low135 Ų13589.7 Ų89.759%0.58743%0.43SS*.EExtended strand (participates in β ladder)trans-82.2125.3172.6-175.8178.4-178.9178.60108.9T196 L198 Q256T196-K258 PolarHBondContact N-O 3.42Å; T196-K258 PolarHBondContact O-N 3.48Å; T196-K258 PolarHBondContact OG1-O 3.43Å; T196-K258 VanDerWaalsContact OG1-O 3.09Å; L198-K258 HydrophobicContact CD1-CD 4.38Å; Q256-K258 PolarHBondContact O-N 3.29Å
259K70Confident70Confident82 Ų8290.5 Ų90.536%0.35744%0.44SS..PPolyproline II helixtrans-59.4137.8176.7-62.3-168.9177-150.10111.3D189 I261 I264D189-K259 WeakPolarHBondContact OD1-CG 3.32Å; D189-K259 WeakPolarHBondContact OD2-CD 3.41Å; D189-K259 VanDerWaalsContact OD2-CE 3.32Å; D189-K259 WeakPolarHBondContact OD2-CE 3.39Å; D189-K259 IonicContact OD2-NZ 2.78Å; D189-K259 PolarHBondContact OD2-NZ 3.47Å; K259-I261 PolarHBondContact O-N 3.3Å; K259-I264 HydrophobicContact CB-CD1 4.16Å; K259-I264 HydrophobicContact CB-CG1 4.41Å
260N79.2Confident72Confident47 Ų4787.5 Ų87.525%0.25142%0.422SS..PPolyproline II helixtrans-63.7131.5172.2-86.3-21.4000110.8F194 I262 F263F194-N260 PolarHBondContact O-ND2 3.43Å; N260-I262 PolarHBondContact O-N 3.22Å; N260-I262 VanDerWaalsContact O-N 3.15Å; N260-F263 HydrophobicContact CB-CD2 3.7Å; N260-F263 HydrophobicContact CB-CE2 3.93Å; N260-F263 PolarHBondContact O-N 3.42Å
261I83.3Confident73.7Confident107 Ų10782.7 Ų82.755%0.54940%0.397SS..Hα-helixtrans-61.3-29.7-175.6-156.3171.9000112.8K259 F263 I264 Y265K259-I261 PolarHBondContact O-N 3.3Å; I261-F263 PolarHBondContact O-N 2.91Å; I261-I264 WeakPolarHBondContact O-CB 3.34Å; I261-I264 PolarHBondContact O-N 3.4Å; I261-Y265 HydrophobicContact CD1-CE2 3.81Å; I261-Y265 HydrophobicContact CG1-CD2 4.04Å; I261-Y265 HydrophobicContact CG1-CE2 3.57Å; I261-Y265 HydrophobicContact CG2-CE2 4.45Å; I261-Y265 WeakPolarHBondContact O-CD2 3.49Å; I261-Y265 PolarHBondContact O-N 3.34Å; I261-Y265 VanDerWaalsContact O-N 3.07Å
262I87.8Confident75.7Confident112 Ų11283.3 Ų83.357%0.57440%0.4SS*.Hα-helixtrans-61.6-43.9179.6-63.6172.1000111N260 I264 Y265 I266N260-I262 PolarHBondContact O-N 3.22Å; N260-I262 VanDerWaalsContact O-N 3.15Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.34Å; I262-Y265 PolarHBondContact O-N 3.33Å; I262-I266 HydrophobicContact CG2-CD1 3.92Å; I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.26Å
263F86.3Confident77.7Confident18 Ų1880 Ų808%0.07938%0.381CS..Hα-helixtrans-67.5-36.5179.8-59.4-48000111.5A185 M188 F194 N260 I261 Y265 I266 E267A185-F263 HydrophobicContact CB-CD1 4.22Å; M188-F263 HydrophobicContact CB-CE1 3.9Å; M188-F263 HydrophobicContact CB-CE2 4.2Å; M188-F263 HydrophobicContact CB-CZ 3.66Å; M188-F263 HydrophobicContact CE-CD1 4.3Å; M188-F263 HydrophobicContact CE-CE1 3.54Å; M188-F263 HydrophobicContact CE-CZ 4.27Å; M188-F263 HydrophobicContact SD-CE1 4.02Å; M188-F263 HydrophobicContact SD-CZ 4.17Å; F194-F263 HydrophobicContact CB-CE2 3.78Å; F194-F263 HydrophobicContact CB-CZ 4.28Å; F194-F263 HydrophobicContact CG-CE2 4.31Å; F194-F263 HydrophobicContact CG-CZ 4.31Å; N260-F263 HydrophobicContact CB-CD2 3.7Å; N260-F263 HydrophobicContact CB-CE2 3.93Å; N260-F263 PolarHBondContact O-N 3.42Å; I261-F263 PolarHBondContact O-N 2.91Å; F263-Y265 VanDerWaalsContact C-N 3.33Å; F263-Y265 PolarHBondContact O-N 2.86Å; F263-I266 PolarHBondContact O-N 2.97Å; F263-E267 WeakPolarHBondContact O-CB 3.28Å; F263-E267 WeakPolarHBondContact O-CG 3.45Å; F263-E267 PolarHBondContact O-N 2.93Å
264I82.4Confident80Confident87 Ų8776 Ų7645%0.44636%0.359SS..Hα-helixtrans-60.1-43.6174-58.8175.2000110.7K259 I261 I262 E267 C268K259-I264 HydrophobicContact CB-CD1 4.16Å; K259-I264 HydrophobicContact CB-CG1 4.41Å; I261-I264 WeakPolarHBondContact O-CB 3.34Å; I261-I264 PolarHBondContact O-N 3.4Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.34Å; I264-E267 PolarHBondContact O-N 2.97Å; I264-C268 VanDerWaalsContact O-CB 3.31Å; I264-C268 WeakPolarHBondContact O-CB 3.43Å; I264-C268 PolarHBondContact O-N 3.03Å
265Y89.3Confident82.1Confident145 Ų14572.3 Ų72.357%0.56934%0.34SS*.Hα-helixtrans-65.1-44.6176.5-77.1-62.5000112.7I261 I262 F263 E267 C268 I269I261-Y265 HydrophobicContact CD1-CE2 3.81Å; I261-Y265 HydrophobicContact CG1-CD2 4.04Å; I261-Y265 HydrophobicContact CG1-CE2 3.57Å; I261-Y265 HydrophobicContact CG2-CE2 4.45Å; I261-Y265 WeakPolarHBondContact O-CD2 3.49Å; I261-Y265 PolarHBondContact O-N 3.34Å; I261-Y265 VanDerWaalsContact O-N 3.07Å; I262-Y265 PolarHBondContact O-N 3.33Å; F263-Y265 VanDerWaalsContact C-N 3.33Å; F263-Y265 PolarHBondContact O-N 2.86Å; Y265-E267 VanDerWaalsContact C-N 3.34Å; Y265-E267 PolarHBondContact O-N 3.41Å; Y265-C268 PolarHBondContact O-N 3.17Å; Y265-I269 VanDerWaalsContact O-CG1 3.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.1Å; Y265-I269 PolarHBondContact O-N 2.94Å
266I90.8Very high84.2Confident51 Ų5168.1 Ų68.126%0.26233%0.325SS..Hα-helixtrans-60.1-47.2177-67.3168.8000110.1A185 I262 F263 C268 I269 C270A185-I266 HydrophobicContact CB-CB 4.45Å; A185-I266 HydrophobicContact CB-CG2 3.93Å; I262-I266 HydrophobicContact CG2-CD1 3.92Å; I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.26Å; F263-I266 PolarHBondContact O-N 2.97Å; I266-C268 VanDerWaalsContact C-N 3.32Å; I266-C268 PolarHBondContact O-N 2.88Å; I266-I269 PolarHBondContact O-N 2.66Å; I266-C270 WeakPolarHBondContact O-CB 3.4Å; I266-C270 PolarHBondContact O-N 3.16Å; I266-C270 PolarHBondContact O-SG 3.45Å; I266-C270 VanDerWaalsContact O-SG 3.34Å
267E87Confident86.1Confident13 Ų1362.2 Ų62.26%0.06130%0.297CS..Hα-helixtrans-59.1-43.8176.4-74.8-168.616700111.8F263 I264 Y265 N271 R356F263-E267 WeakPolarHBondContact O-CB 3.28Å; F263-E267 WeakPolarHBondContact O-CG 3.45Å; F263-E267 PolarHBondContact O-N 2.93Å; I264-E267 PolarHBondContact O-N 2.97Å; Y265-E267 VanDerWaalsContact C-N 3.34Å; Y265-E267 PolarHBondContact O-N 3.41Å; E267-N271 VanDerWaalsContact O-CB 3.3Å; E267-N271 WeakPolarHBondContact O-CB 3.34Å; E267-N271 PolarHBondContact O-N 3.04Å; E267-N271 PolarHBondContact O-ND2 3.27Å; E267-R356 IonicContact OE1-CZ 2.71Å; E267-R356 IonicContact OE1-NH1 3.37Å; E267-R356 PolarHBondContact OE1-NH1 3.04Å; E267-R356 IonicContact OE1-NH2 3.83Å; E267-R356 IonicContact OE2-CZ 2.68Å; E267-R356 VanDerWaalsContact OE2-CZ 3.3Å; E267-R356 IonicContact OE2-NH1 3.57Å; E267-R356 PolarHBondContact OE2-NH1 3.12Å; E267-R356 IonicContact OE2-NH2 2.72Å; E267-R356 PolarHBondContact OE2-NH2 3.5Å
268C88.8Confident87.5Confident49 Ų4958.5 Ų58.533%0.33129%0.285SS..Hα-helixtrans-62.1-49.6178.6-1710000111.6I264 Y265 I266 C270 N271 I272I264-C268 VanDerWaalsContact O-CB 3.31Å; I264-C268 WeakPolarHBondContact O-CB 3.43Å; I264-C268 PolarHBondContact O-N 3.03Å; Y265-C268 PolarHBondContact O-N 3.17Å; I266-C268 VanDerWaalsContact C-N 3.32Å; I266-C268 PolarHBondContact O-N 2.88Å; C268-C270 PolarHBondContact O-N 2.65Å; C268-N271 PolarHBondContact O-N 2.89Å; C268-I272 VanDerWaalsContact O-CG1 3.27Å; C268-I272 WeakPolarHBondContact O-CG1 3.38Å; C268-I272 PolarHBondContact O-N 3.29Å
269I93Very high88.8Confident113 Ų11357 Ų5758%0.57928%0.282SS*.Hα-helixtrans-61.6-46.4-179.6-67.5165.6000111Y265 I266 N271 I272 W273Y265-I269 VanDerWaalsContact O-CG1 3.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.1Å; Y265-I269 PolarHBondContact O-N 2.94Å; I266-I269 PolarHBondContact O-N 2.66Å; I269-N271 VanDerWaalsContact C-N 3.35Å; I269-N271 PolarHBondContact O-N 3.46Å; I269-I272 PolarHBondContact O-N 3.16Å; I269-W273 PolarHBondContact O-N 2.78Å
270C92.7Very high89.8Confident4 Ų455.2 Ų55.23%0.02728%0.276CS..Hα-helixtrans-63.5-40.3178.2-70.10000112I266 C268 W273 F274I266-C270 WeakPolarHBondContact O-CB 3.4Å; I266-C270 PolarHBondContact O-N 3.16Å; I266-C270 PolarHBondContact O-SG 3.45Å; I266-C270 VanDerWaalsContact O-SG 3.34Å; C268-C270 PolarHBondContact O-N 2.65Å; C270-W273 PolarHBondContact O-N 3.47Å; C270-F274 HydrophobicContact CB-CE2 4.27Å; C270-F274 WeakPolarHBondContact O-CD2 3.44Å; C270-F274 VanDerWaalsContact O-CG 3.29Å; C270-F274 WeakPolarHBondContact O-CG 3.27Å; C270-F274 PolarHBondContact O-N 3.47Å
271N91.1Very high90.4Very high0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-65.6-43.3176.1-84.4-66000112.2E267 C268 I269 W273 F274 T275 F307 R359E267-N271 VanDerWaalsContact O-CB 3.3Å; E267-N271 WeakPolarHBondContact O-CB 3.34Å; E267-N271 PolarHBondContact O-N 3.04Å; E267-N271 PolarHBondContact O-ND2 3.27Å; C268-N271 PolarHBondContact O-N 2.89Å; I269-N271 VanDerWaalsContact C-N 3.35Å; I269-N271 PolarHBondContact O-N 3.46Å; N271-W273 VanDerWaalsContact C-N 3.29Å; N271-W273 PolarHBondContact O-N 3.18Å; N271-F274 PolarHBondContact O-N 3.37Å; N271-T275 WeakPolarHBondContact O-CG2 3.47Å; N271-T275 PolarHBondContact O-N 2.86Å; N271-T275 PolarHBondContact O-OG1 2.97Å; N271-F307 HydrophobicContact CB-CD1 3.71Å; N271-F307 HydrophobicContact CB-CD2 4.37Å; N271-F307 HydrophobicContact CB-CE1 3.71Å; N271-F307 HydrophobicContact CB-CE2 4.36Å; N271-F307 HydrophobicContact CB-CG 4.05Å; N271-F307 HydrophobicContact CB-CZ 4.04Å; N271-F307 WeakPolarHBondContact ND2-CD2 3.48Å; N271-F307 WeakPolarHBondContact ND2-CE2 3.46Å; N271-F307 WeakPolarHBondContact ND2-CG 3.3Å; N271-F307 WeakPolarHBondContact OD1-CB 3.33Å; N271-R359 PolarHBondContact ND2-NH1 3.48Å; N271-R359 PolarHBondContact ND2-NH2 3.46Å; N271-R359 PolarHBondContact OD1-NH1 3.39Å; N271-R359 PolarHBondContact OD1-NH2 2.99Å
272I92.8Very high90.8Very high86 Ų8652.2 Ų52.244%0.44126%0.256SS..Hα-helixtrans-56.5-47.2174.1-70.1164.9000109.8C268 I269 F274 T275 I276C268-I272 VanDerWaalsContact O-CG1 3.27Å; C268-I272 WeakPolarHBondContact O-CG1 3.38Å; C268-I272 PolarHBondContact O-N 3.29Å; I269-I272 PolarHBondContact O-N 3.16Å; I272-F274 PolarHBondContact O-N 3.08Å; I272-T275 WeakPolarHBondContact CA-OG1 3.49Å; I272-T275 PolarHBondContact O-N 3.34Å; I272-T275 PolarHBondContact O-OG1 3.41Å; I272-I276 HydrophobicContact CG2-CD1 3.85Å; I272-I276 WeakPolarHBondContact O-CG1 3.22Å; I272-I276 PolarHBondContact O-N 3.37Å
273W93.9Very high90.9Very high57 Ų5750.5 Ų50.522%0.21625%0.251CS..Hα-helixtrans-57.2-50.1175.8178.3-97.7000112.4I171 L174 I269 C270 N271 T275 I276 E277I171-W273 HydrophobicContact CG2-CZ2 4.35Å; L174-W273 HydrophobicContact CB-CZ2 4.48Å; L174-W273 HydrophobicContact CD2-CD2 4.33Å; L174-W273 HydrophobicContact CD2-CE3 4.18Å; L174-W273 HydrophobicContact CD2-CH2 3.36Å; L174-W273 HydrophobicContact CD2-CZ2 3.53Å; L174-W273 HydrophobicContact CD2-CZ3 3.71Å; L174-W273 HydrophobicContact CG-CH2 4.28Å; L174-W273 HydrophobicContact CG-CZ2 3.95Å; I269-W273 PolarHBondContact O-N 2.78Å; C270-W273 PolarHBondContact O-N 3.47Å; N271-W273 VanDerWaalsContact C-N 3.29Å; N271-W273 PolarHBondContact O-N 3.18Å; W273-T275 PolarHBondContact O-N 2.92Å; W273-I276 PolarHBondContact O-N 2.96Å; W273-E277 PolarHBondContact NE1-OE2 3.08Å; W273-E277 WeakPolarHBondContact O-CB 3.41Å; W273-E277 PolarHBondContact O-N 3.49Å
274F92.6Very high91Very high1 Ų149.8 Ų49.80%0.00425%0.248CC..Hα-helixtrans-62.5-31.1179-65-34.2000113.4C178 I179 C270 N271 I272 L278 L304C178-F274 HydrophobicContact CB-CE1 4.1Å; C178-F274 HydrophobicContact CB-CZ 4.09Å; I179-F274 HydrophobicContact CB-CZ 4.42Å; I179-F274 HydrophobicContact CG1-CE1 3.8Å; I179-F274 HydrophobicContact CG1-CZ 3.65Å; C270-F274 HydrophobicContact CB-CE2 4.27Å; C270-F274 WeakPolarHBondContact O-CD2 3.44Å; C270-F274 VanDerWaalsContact O-CG 3.29Å; C270-F274 WeakPolarHBondContact O-CG 3.27Å; C270-F274 PolarHBondContact O-N 3.47Å; N271-F274 PolarHBondContact O-N 3.37Å; I272-F274 PolarHBondContact O-N 3.08Å; F274-L278 WeakPolarHBondContact O-CB 3.4Å; F274-L278 PolarHBondContact O-N 3.34Å; F274-L304 HydrophobicContact CB-CD2 3.73Å; F274-L304 HydrophobicContact CB-CG 4.48Å
275T93.3Very high91.1Very high15 Ų1546.6 Ų46.69%0.09223%0.233CC..Hα-helixtrans-71.1-44.5177.364.20000111.5N271 I272 W273 E277 L278 I279 L304 Y308N271-T275 WeakPolarHBondContact O-CG2 3.47Å; N271-T275 PolarHBondContact O-N 2.86Å; N271-T275 PolarHBondContact O-OG1 2.97Å; I272-T275 WeakPolarHBondContact CA-OG1 3.49Å; I272-T275 PolarHBondContact O-N 3.34Å; I272-T275 PolarHBondContact O-OG1 3.41Å; W273-T275 PolarHBondContact O-N 2.92Å; T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 3.48Å; T275-L278 PolarHBondContact O-N 3.01Å; T275-I279 WeakPolarHBondContact O-CB 3.43Å; T275-I279 WeakPolarHBondContact O-CD1 3.42Å; T275-I279 WeakPolarHBondContact O-CG1 3.35Å; T275-I279 PolarHBondContact O-N 3.34Å; T275-L304 HydrophobicContact CG2-CD1 3.95Å; T275-L304 HydrophobicContact CG2-CD2 3.65Å; T275-L304 HydrophobicContact CG2-CG 4.4Å; T275-Y308 HydrophobicContact CG2-CE2 3.57Å; T275-Y308 WeakPolarHBondContact CG2-OH 3.33Å
276I93.5Very high90.7Very high76 Ų7643 Ų4339%0.3922%0.223SC..Hα-helixtrans-59.7-46.3174.3-67167.3000109.3I272 W273 L278 I279 I280I272-I276 HydrophobicContact CG2-CD1 3.85Å; I272-I276 WeakPolarHBondContact O-CG1 3.22Å; I272-I276 PolarHBondContact O-N 3.37Å; W273-I276 PolarHBondContact O-N 2.96Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 2.78Å; I276-I279 PolarHBondContact O-N 2.88Å; I276-I280 HydrophobicContact CG2-CD1 3.65Å; I276-I280 HydrophobicContact CG2-CG1 4.38Å; I276-I280 WeakPolarHBondContact O-CB 3.32Å; I276-I280 VanDerWaalsContact O-CG1 3.26Å; I276-I280 WeakPolarHBondContact O-CG1 3.16Å; I276-I280 PolarHBondContact O-N 3.35Å
277E92.1Very high90.4Very high4 Ų445.4 Ų45.42%0.01924%0.236CC..Hα-helixtrans-58.3-44.3178-153.7-170.8121.100112F159 S175 W273 T275 R281 R365F159-E277 HydrophobicContact CD1-CG 3.81Å; F159-E277 HydrophobicContact CE1-CG 3.95Å; S175-E277 WeakPolarHBondContact CB-OE2 3.22Å; W273-E277 PolarHBondContact NE1-OE2 3.08Å; W273-E277 WeakPolarHBondContact O-CB 3.41Å; W273-E277 PolarHBondContact O-N 3.49Å; T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 3.48Å; E277-R281 VanDerWaalsContact CG-NH1 3.32Å; E277-R281 WeakPolarHBondContact O-CG 3.17Å; E277-R281 PolarHBondContact O-N 3.03Å; E277-R281 VanDerWaalsContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 2.74Å; E277-R281 IonicContact OE1-NH1 3.31Å; E277-R281 PolarHBondContact OE1-NH1 3.42Å; E277-R281 IonicContact OE1-NH2 3.84Å; E277-R281 PolarHBondContact OE1-NH2 2.82Å; E277-R365 IonicContact OE1-NH1 3.17Å
278L91.3Very high90.5Very high27 Ų2748.8 Ų48.814%0.14125%0.252CS..Hα-helixtrans-69.1-44177.8-177.664.6000112.2F274 T275 I276 I280 R281 F282 F291 D300 I301 L304F274-L278 WeakPolarHBondContact O-CB 3.4Å; F274-L278 PolarHBondContact O-N 3.34Å; T275-L278 PolarHBondContact O-N 3.01Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 2.78Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 PolarHBondContact O-N 3.23Å; L278-R281 PolarHBondContact O-N 3.48Å; L278-F282 VanDerWaalsContact O-CB 3.3Å; L278-F282 WeakPolarHBondContact O-CB 3.14Å; L278-F282 PolarHBondContact O-N 2.94Å; L278-F291 HydrophobicContact CD1-CE1 3.96Å; L278-F291 HydrophobicContact CD1-CZ 4.02Å; L278-D300 HydrophobicContact CD1-CB 4.21Å; L278-I301 HydrophobicContact CD1-CG1 4.32Å; L278-I301 HydrophobicContact CD2-CG1 3.88Å; L278-L304 HydrophobicContact CB-CD1 4.07Å; L278-L304 HydrophobicContact CD2-CD1 3.55Å; L278-L304 HydrophobicContact CG-CD1 4.45Å
279I92.9Very high90.5Very high104 Ų10455.3 Ų55.353%0.53327%0.274SS..Hα-helixtrans-62.1-44.1179.5-70.6165.8000110.3T275 I276 F282 T283T275-I279 WeakPolarHBondContact O-CB 3.43Å; T275-I279 WeakPolarHBondContact O-CD1 3.42Å; T275-I279 WeakPolarHBondContact O-CG1 3.35Å; T275-I279 PolarHBondContact O-N 3.34Å; I276-I279 PolarHBondContact O-N 2.88Å; I279-F282 PolarHBondContact O-N 3.41Å; I279-T283 HydrophobicContact CG2-CG2 4.34Å; I279-T283 VanDerWaalsContact O-CG2 3.31Å; I279-T283 WeakPolarHBondContact O-CG2 3.45Å; I279-T283 PolarHBondContact O-N 3.2Å; I279-T283 PolarHBondContact O-OG1 3.03Å
280I92.5Very high90.2Very high44 Ų4457.6 Ų57.623%0.22628%0.28CS..Hα-helixtrans-62.1-47177-67.8169000110.3V155 F159 I276 L278 F282 T283 V284V155-I280 HydrophobicContact CG1-CG2 3.66Å; F159-I280 HydrophobicContact CD1-CG2 4.5Å; F159-I280 HydrophobicContact CD2-CG2 3.65Å; F159-I280 HydrophobicContact CE1-CD1 4.07Å; F159-I280 HydrophobicContact CE1-CG2 4.49Å; F159-I280 HydrophobicContact CE2-CB 4.44Å; F159-I280 HydrophobicContact CE2-CD1 3.94Å; F159-I280 HydrophobicContact CE2-CG2 3.65Å; F159-I280 HydrophobicContact CG-CG2 4.1Å; F159-I280 HydrophobicContact CZ-CB 4.4Å; F159-I280 HydrophobicContact CZ-CD1 3.46Å; F159-I280 VanDerWaalsContact CZ-CD1 3.46Å; F159-I280 HydrophobicContact CZ-CG2 4.09Å; I276-I280 HydrophobicContact CG2-CD1 3.65Å; I276-I280 HydrophobicContact CG2-CG1 4.38Å; I276-I280 WeakPolarHBondContact O-CB 3.32Å; I276-I280 VanDerWaalsContact O-CG1 3.26Å; I276-I280 WeakPolarHBondContact O-CG1 3.16Å; I276-I280 PolarHBondContact O-N 3.35Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 PolarHBondContact O-N 3.23Å; I280-F282 VanDerWaalsContact C-N 3.33Å; I280-F282 PolarHBondContact O-N 3.47Å; I280-T283 PolarHBondContact O-N 3.25Å; I280-T283 PolarHBondContact O-OG1 2.88Å; I280-V284 HydrophobicContact CG2-CG2 4.15Å; I280-V284 VanDerWaalsContact O-CB 3.31Å; I280-V284 WeakPolarHBondContact O-CB 3.39Å; I280-V284 WeakPolarHBondContact O-CG2 3.21Å; I280-V284 PolarHBondContact O-N 2.82Å; I280-V284 VanDerWaalsContact O-N 3.07Å
281R90.5Very high90Very high6 Ų657.8 Ų57.82%0.02328%0.281CS..Hα-helixtrans-62.8-39.6177.3-72.7-169.5-169.7104.65.6113F159 E277 L278 T285 F291 D300F159-R281 HydrophobicContact CB-CG 4.02Å; F159-R281 PolarHBondContact O-NE 3.02Å; F159-R281 VanDerWaalsContact O-NE 3.16Å; F159-R281 PolarHBondContact O-NH2 3.45Å; E277-R281 VanDerWaalsContact CG-NH1 3.32Å; E277-R281 WeakPolarHBondContact O-CG 3.17Å; E277-R281 PolarHBondContact O-N 3.03Å; E277-R281 VanDerWaalsContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 2.74Å; E277-R281 IonicContact OE1-NH1 3.31Å; E277-R281 PolarHBondContact OE1-NH1 3.42Å; E277-R281 IonicContact OE1-NH2 3.84Å; E277-R281 PolarHBondContact OE1-NH2 2.82Å; L278-R281 PolarHBondContact O-N 3.48Å; R281-T285 WeakPolarHBondContact O-CB 3.18Å; R281-T285 PolarHBondContact O-N 3.48Å; R281-T285 PolarHBondContact O-OG1 3.45Å; R281-F291 HydrophobicContact CB-CE2 3.82Å; R281-F291 HydrophobicContact CB-CZ 3.79Å; R281-D300 IonicContact NH1-OD2 2.79Å
282F91.9Very high89.8Confident84 Ų8460.8 Ų60.837%0.36830%0.299SS..Hα-helixtrans-63.7-49.2178.8-176.3-100.7000111.5L278 I279 I280 V284 T285 H288 F291L278-F282 VanDerWaalsContact O-CB 3.3Å; L278-F282 WeakPolarHBondContact O-CB 3.14Å; L278-F282 PolarHBondContact O-N 2.94Å; I279-F282 PolarHBondContact O-N 3.41Å; I280-F282 VanDerWaalsContact C-N 3.33Å; I280-F282 PolarHBondContact O-N 3.47Å; F282-V284 VanDerWaalsContact C-N 3.35Å; F282-V284 PolarHBondContact O-N 2.93Å; F282-T285 PolarHBondContact O-N 3.35Å; F282-H288 HydrophobicContact CE2-CB 3.91Å; F282-H288 HydrophobicContact CZ-CB 4.1Å; F282-H288 AromaticContact CZ-CG 3.9Å; F282-H288 AromaticContact CZ-ND1 3.68Å; F282-F291 HydrophobicContact CB-CE1 4.39Å; F282-F291 AromaticContact CD2-CD1 3.96Å; F282-F291 HydrophobicContact CD2-CD1 3.96Å; F282-F291 HydrophobicContact CD2-CE1 4.18Å
283T89.8Confident89.6Confident76 Ų7665.6 Ų65.647%0.46632%0.316SS..Hα-helixtrans-66.7-33.6-179.2530000113.5I279 I280I279-T283 HydrophobicContact CG2-CG2 4.34Å; I279-T283 VanDerWaalsContact O-CG2 3.31Å; I279-T283 WeakPolarHBondContact O-CG2 3.45Å; I279-T283 PolarHBondContact O-N 3.2Å; I279-T283 PolarHBondContact O-OG1 3.03Å; I280-T283 PolarHBondContact O-N 3.25Å; I280-T283 PolarHBondContact O-OG1 2.88Å
284V88.6Confident89.2Confident3 Ų366.3 Ų66.32%0.01833%0.325CS..Hα-helixtrans-78.1-27.3-178175.40000111.9W148 R152 V155 W156 I280 F282W148-V284 HydrophobicContact CH2-CG2 4.08Å; R152-V284 HydrophobicContact CG-CG1 4.03Å; R152-V284 PolarHBondContact NE-O 3.07Å; R152-V284 PolarHBondContact NH2-O 2.97Å; R152-V284 VanDerWaalsContact O-CG1 3.22Å; R152-V284 WeakPolarHBondContact O-CG1 3.34Å; V155-V284 HydrophobicContact CB-CG2 4.1Å; V155-V284 HydrophobicContact CG1-CG2 3.68Å; W156-V284 HydrophobicContact CB-CG1 3.31Å; W156-V284 HydrophobicContact CG-CG1 3.95Å; I280-V284 HydrophobicContact CG2-CG2 4.15Å; I280-V284 VanDerWaalsContact O-CB 3.31Å; I280-V284 WeakPolarHBondContact O-CB 3.39Å; I280-V284 WeakPolarHBondContact O-CG2 3.21Å; I280-V284 PolarHBondContact O-N 2.82Å; I280-V284 VanDerWaalsContact O-N 3.07Å; F282-V284 VanDerWaalsContact C-N 3.35Å; F282-V284 PolarHBondContact O-N 2.93Å
285T84.4Confident88.8Confident20 Ų2070.8 Ų70.812%0.12335%0.348CS..  trans-70.8145.8-178.1-60.50000111.9R152 R281 F282 H288 F291R152-T285 VanDerWaalsContact NH2-C 3.33Å; R152-T285 PolarHBondContact NH2-O 3.46Å; R281-T285 WeakPolarHBondContact O-CB 3.18Å; R281-T285 PolarHBondContact O-N 3.48Å; R281-T285 PolarHBondContact O-OG1 3.45Å; F282-T285 PolarHBondContact O-N 3.35Å; T285-H288 PolarHBondContact O-NE2 3.32Å; T285-F291 HydrophobicContact CG2-CB 3.99Å; T285-F291 HydrophobicContact CG2-CD2 4.12Å; T285-F291 HydrophobicContact CG2-CG 4.43Å; T285-F291 WeakPolarHBondContact OG1-CD2 3.48Å
286I81.6Confident88.3Confident71 Ų7171.7 Ų71.736%0.36435%0.352SS..SBendtrans-78.5-50175.5-61.3163000111.3F134F134-I286 HydrophobicContact CB-CD1 3.9Å; F134-I286 HydrophobicContact CD1-CD1 3.37Å; F134-I286 HydrophobicContact CD1-CG1 3.65Å; F134-I286 HydrophobicContact CE1-CD1 4.13Å; F134-I286 HydrophobicContact CE1-CG1 4.04Å; F134-I286 HydrophobicContact CG-CD1 3.9Å
287N84.7Confident88.1Confident101 Ų10168.1 Ų68.154%0.5433%0.334SS..  trans-102.187.5-172-71.9-37.5000110.9K289 K290 F291N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.96Å; N287-K290 HydrophobicContact CB-CB 3.9Å; N287-K290 PolarHBondContact O-N 3.05Å; N287-K290 VanDerWaalsContact O-N 3.09Å; N287-F291 PolarHBondContact O-N 2.85Å
288H89Confident87.9Confident83 Ų8372.2 Ų72.238%0.38436%0.355SS..Hα-helixtrans-58.3-36.7-177.5-57.6173.3000112.7F282 T285 K290 F291 V292F282-H288 HydrophobicContact CE2-CB 3.91Å; F282-H288 HydrophobicContact CZ-CB 4.1Å; F282-H288 AromaticContact CZ-CG 3.9Å; F282-H288 AromaticContact CZ-ND1 3.68Å; T285-H288 PolarHBondContact O-NE2 3.32Å; H288-K290 PolarHBondContact O-N 2.98Å; H288-F291 VanDerWaalsContact O-CB 3.31Å; H288-F291 WeakPolarHBondContact O-CB 3.43Å; H288-F291 PolarHBondContact O-N 3.15Å; H288-V292 WeakPolarHBondContact O-CG2 3.45Å; H288-V292 PolarHBondContact O-N 3.45Å
289K89.2Confident87.7Confident186 Ų18671.8 Ų71.881%0.80935%0.353SS*.Hα-helixtrans-64.7-40.2176.6-67-176179.9179.80112.7N287 F291 K293N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.96Å; K289-F291 VanDerWaalsContact C-N 3.3Å; K289-K293 WeakPolarHBondContact O-CG 3.3Å; K289-K293 PolarHBondContact O-N 3.46Å
290K86Confident87.5Confident161 Ų16166.9 Ų66.970%0.733%0.328SS*.Hα-helixtrans-69.6-33.8176.1-171.6175.6-180178.60110.7N287 H288 N294N287-K290 HydrophobicContact CB-CB 3.9Å; N287-K290 PolarHBondContact O-N 3.05Å; N287-K290 VanDerWaalsContact O-N 3.09Å; H288-K290 PolarHBondContact O-N 2.98Å; K290-N294 PolarHBondContact O-N 2.83Å
291F87.7Confident87.4Confident9 Ų967.5 Ų67.54%0.03933%0.331CS..Hα-helixtrans-61.2-50.7175.6-177.3-93000112.1L278 R281 F282 T285 N287 H288 K289 K293 N294 N297L278-F291 HydrophobicContact CD1-CE1 3.96Å; L278-F291 HydrophobicContact CD1-CZ 4.02Å; R281-F291 HydrophobicContact CB-CE2 3.82Å; R281-F291 HydrophobicContact CB-CZ 3.79Å; F282-F291 HydrophobicContact CB-CE1 4.39Å; F282-F291 AromaticContact CD2-CD1 3.96Å; F282-F291 HydrophobicContact CD2-CD1 3.96Å; F282-F291 HydrophobicContact CD2-CE1 4.18Å; T285-F291 HydrophobicContact CG2-CB 3.99Å; T285-F291 HydrophobicContact CG2-CD2 4.12Å; T285-F291 HydrophobicContact CG2-CG 4.43Å; T285-F291 WeakPolarHBondContact OG1-CD2 3.48Å; N287-F291 PolarHBondContact O-N 2.85Å; H288-F291 VanDerWaalsContact O-CB 3.31Å; H288-F291 WeakPolarHBondContact O-CB 3.43Å; H288-F291 PolarHBondContact O-N 3.15Å; K289-F291 VanDerWaalsContact C-N 3.3Å; F291-K293 VanDerWaalsContact C-N 3.31Å; F291-K293 PolarHBondContact O-N 3.02Å; F291-N294 WeakPolarHBondContact O-CB 3.36Å; F291-N294 PolarHBondContact O-N 3.23Å; F291-N297 HydrophobicContact CD1-CB 4.31Å; F291-N297 WeakPolarHBondContact CD2-ND2 3.36Å; F291-N297 HydrophobicContact CE1-CB 3.96Å; F291-N297 HydrophobicContact CE2-CB 4.37Å; F291-N297 VanDerWaalsContact CE2-CG 3.46Å; F291-N297 WeakPolarHBondContact CE2-ND2 3.47Å; F291-N297 HydrophobicContact CZ-CB 3.98Å; F291-N297 VanDerWaalsContact CZ-CG 3.48Å; F291-N297 WeakPolarHBondContact O-CB 3.46Å; F291-N297 PolarHBondContact O-ND2 2.92Å; F291-N297 VanDerWaalsContact O-ND2 3.07Å
292V88Confident87.2Confident63 Ų6368.6 Ų68.638%0.38234%0.341SS..Hα-helixtrans-68.4-29.7-178.5177.40000112.4H288 N294 I301H288-V292 WeakPolarHBondContact O-CG2 3.45Å; H288-V292 PolarHBondContact O-N 3.45Å; V292-N294 VanDerWaalsContact C-N 3.28Å; V292-N294 PolarHBondContact O-N 3.33Å; V292-I301 HydrophobicContact CG1-CD1 4.28Å; V292-I301 HydrophobicContact CG2-CD1 4.39Å
293K87.7Confident86.9Confident186 Ų18664.7 Ų64.781%0.80932%0.324SS*.THydrogen-bonded Turntrans-76.1-11.3175.3-72.9-175.1177.3-171.10114.2K289 F291K289-K293 WeakPolarHBondContact O-CG 3.3Å; K289-K293 PolarHBondContact O-N 3.46Å; F291-K293 VanDerWaalsContact C-N 3.31Å; F291-K293 PolarHBondContact O-N 3.02Å
294N84.8Confident86.9Confident72 Ų7261.5 Ų61.539%0.38531%0.305SS..SBendtrans-75129.1178.5-171.59.1000110.3K290 F291 V292 I296 N297 L298K290-N294 PolarHBondContact O-N 2.83Å; F291-N294 WeakPolarHBondContact O-CB 3.36Å; F291-N294 PolarHBondContact O-N 3.23Å; V292-N294 VanDerWaalsContact C-N 3.28Å; V292-N294 PolarHBondContact O-N 3.33Å; N294-I296 VanDerWaalsContact C-N 3.27Å; N294-I296 PolarHBondContact O-N 2.86Å; N294-N297 HydrophobicContact CB-CB 4.38Å; N294-N297 PolarHBondContact O-N 3.01Å; N294-N297 VanDerWaalsContact O-N 3.08Å; N294-L298 PolarHBondContact O-N 3.43Å
295L84.5Confident86.9Confident95 Ų9566.7 Ų66.750%0.49733%0.327SS..Hα-helixtrans-54.4-42.1-174.9-177.865.8000112.5N297 L298 I299 I374L295-N297 PolarHBondContact O-N 3.28Å; L295-L298 PolarHBondContact O-N 3.03Å; L295-I299 HydrophobicContact CD1-CD1 4.43Å; L295-I299 HydrophobicContact CG-CD1 4.13Å; L295-I299 WeakPolarHBondContact O-CD1 2.93Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.03Å; L295-I299 PolarHBondContact O-N 2.89Å; L295-I299 VanDerWaalsContact O-N 3.08Å; L295-I374 HydrophobicContact CD2-CG2 4.44Å
296I84.2Confident86.9Confident34 Ų3465.8 Ų65.817%0.17432%0.322CS..Hα-helixtrans-65.1-41.3-178.4-58.3172.7000110.9N294 I299 D300 R365N294-I296 VanDerWaalsContact C-N 3.27Å; N294-I296 PolarHBondContact O-N 2.86Å; I296-I299 PolarHBondContact O-N 3.41Å; I296-D300 PolarHBondContact O-N 3.49Å; I296-D300 VanDerWaalsContact O-N 3.16Å; I296-R365 HydrophobicContact CG2-CB 4.24Å
297N88.7Confident87.1Confident2 Ų263.6 Ų63.61%0.01131%0.31CS..Hα-helixtrans-75.7-30.5179.7-62.5-27.5000111.9F291 N294 L295 I299 D300 I301 R365F291-N297 HydrophobicContact CD1-CB 4.31Å; F291-N297 WeakPolarHBondContact CD2-ND2 3.36Å; F291-N297 HydrophobicContact CE1-CB 3.96Å; F291-N297 HydrophobicContact CE2-CB 4.37Å; F291-N297 VanDerWaalsContact CE2-CG 3.46Å; F291-N297 WeakPolarHBondContact CE2-ND2 3.47Å; F291-N297 HydrophobicContact CZ-CB 3.98Å; F291-N297 VanDerWaalsContact CZ-CG 3.48Å; F291-N297 WeakPolarHBondContact O-CB 3.46Å; F291-N297 PolarHBondContact O-ND2 2.92Å; F291-N297 VanDerWaalsContact O-ND2 3.07Å; N294-N297 HydrophobicContact CB-CB 4.38Å; N294-N297 PolarHBondContact O-N 3.01Å; N294-N297 VanDerWaalsContact O-N 3.08Å; L295-N297 PolarHBondContact O-N 3.28Å; N297-I299 VanDerWaalsContact C-N 3.33Å; N297-D300 WeakPolarHBondContact O-CB 3.4Å; N297-D300 PolarHBondContact O-N 3.11Å; N297-I301 VanDerWaalsContact O-CG1 3.32Å; N297-I301 WeakPolarHBondContact O-CG1 3.49Å; N297-I301 PolarHBondContact O-N 3.23Å; N297-R365 PolarHBondContact OD1-NH2 3.24Å; N297-R365 VanDerWaalsContact OD1-NH2 3.07Å
298L87.9Confident87.2Confident89 Ų8963.5 Ų63.547%0.46630%0.302SS..Hα-helixtrans-63.1-42.4173.2-172.372.7000111.1N294 L295 D300 I301 A302N294-L298 PolarHBondContact O-N 3.43Å; L295-L298 PolarHBondContact O-N 3.03Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-I301 PolarHBondContact O-N 3.4Å; L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 3.45Å
299I87.5Confident87Confident19 Ų1960.8 Ų60.810%0.09729%0.29CS..Hα-helixtrans-62.1-42.2174.4-68.2163.9000110.6L295 I296 N297 I301 A302 A303 M358 F361L295-I299 HydrophobicContact CD1-CD1 4.43Å; L295-I299 HydrophobicContact CG-CD1 4.13Å; L295-I299 WeakPolarHBondContact O-CD1 2.93Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.03Å; L295-I299 PolarHBondContact O-N 2.89Å; L295-I299 VanDerWaalsContact O-N 3.08Å; I296-I299 PolarHBondContact O-N 3.41Å; N297-I299 VanDerWaalsContact C-N 3.33Å; I299-I301 VanDerWaalsContact C-N 3.35Å; I299-I301 PolarHBondContact O-N 2.99Å; I299-A302 PolarHBondContact O-N 2.84Å; I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.36Å; I299-M358 WeakPolarHBondContact CG2-O 3.39Å; I299-F361 HydrophobicContact CD1-CB 3.93Å; I299-F361 HydrophobicContact CG2-CB 3.72Å
300D88.4Confident86.6Confident0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-58.3-44.8174.5-77.6-26.8000112.2L278 R281 I296 N297 L298 L304 K362 R365L278-D300 HydrophobicContact CD1-CB 4.21Å; R281-D300 IonicContact NH1-OD2 2.79Å; I296-D300 PolarHBondContact O-N 3.49Å; I296-D300 VanDerWaalsContact O-N 3.16Å; N297-D300 WeakPolarHBondContact O-CB 3.4Å; N297-D300 PolarHBondContact O-N 3.11Å; L298-D300 VanDerWaalsContact C-N 3.33Å; D300-L304 PolarHBondContact O-N 3.35Å; D300-K362 WeakPolarHBondContact OD1-CD 3.36Å; D300-K362 WeakPolarHBondContact OD1-CE 3.19Å; D300-K362 WeakPolarHBondContact OD1-CG 3.22Å; D300-K362 IonicContact OD1-NZ 3.09Å; D300-K362 PolarHBondContact OD1-NZ 3.01Å; D300-R365 IonicContact OD1-NH1 3.69Å; D300-R365 IonicContact OD2-CZ 2.86Å; D300-R365 VanDerWaalsContact OD2-CZ 3.32Å; D300-R365 IonicContact OD2-NH1 3.62Å; D300-R365 PolarHBondContact OD2-NH1 3.17Å; D300-R365 IonicContact OD2-NH2 2.64Å; D300-R365 PolarHBondContact OD2-NH2 3.44Å
301I89.6Confident86.4Confident58 Ų5849.1 Ų49.130%0.29725%0.245SC..Hα-helixtrans-66.9-47.9178.9-67.7163.5000110.9L278 V292 N297 L298 I299 A303 L304 F305L278-I301 HydrophobicContact CD1-CG1 4.32Å; L278-I301 HydrophobicContact CD2-CG1 3.88Å; V292-I301 HydrophobicContact CG1-CD1 4.28Å; V292-I301 HydrophobicContact CG2-CD1 4.39Å; N297-I301 VanDerWaalsContact O-CG1 3.32Å; N297-I301 WeakPolarHBondContact O-CG1 3.49Å; N297-I301 PolarHBondContact O-N 3.23Å; L298-I301 PolarHBondContact O-N 3.4Å; I299-I301 VanDerWaalsContact C-N 3.35Å; I299-I301 PolarHBondContact O-N 2.99Å; I301-A303 VanDerWaalsContact C-N 3.3Å; I301-A303 PolarHBondContact O-N 3.22Å; I301-L304 PolarHBondContact O-N 3.3Å; I301-F305 WeakPolarHBondContact O-CB 3.26Å; I301-F305 PolarHBondContact O-N 3.41Å
302A87.5Confident86.2Confident29 Ų2953.2 Ų53.224%0.2427%0.267CS..Hα-helixtrans-60.5-39.9-179.200000112.2L298 I299 L304 F305 S306L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 3.45Å; I299-A302 PolarHBondContact O-N 2.84Å; A302-L304 VanDerWaalsContact C-N 3.34Å; A302-L304 PolarHBondContact O-N 3.23Å; A302-F305 PolarHBondContact O-N 3.12Å; A302-S306 PolarHBondContact O-N 3.25Å
303A86.2Confident85.6Confident1 Ų152.1 Ų52.11%0.00826%0.258CS..Hα-helixtrans-66.6-31.8177.600000113.9I299 I301 R359I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.36Å; I301-A303 VanDerWaalsContact C-N 3.3Å; I301-A303 PolarHBondContact O-N 3.22Å; A303-R359 HydrophobicContact CB-CG 3.66Å; A303-R359 PolarHBondContact O-NH2 3.19Å
304L89.7Confident84.8Confident10 Ų1049.2 Ų49.25%0.05225%0.251CS..Hα-helixtrans-80-39.4174.7-73.1179.9000111.9F274 T275 L278 D300 I301 A302 S306 F307 Y308F274-L304 HydrophobicContact CB-CD2 3.73Å; F274-L304 HydrophobicContact CB-CG 4.48Å; T275-L304 HydrophobicContact CG2-CD1 3.95Å; T275-L304 HydrophobicContact CG2-CD2 3.65Å; T275-L304 HydrophobicContact CG2-CG 4.4Å; L278-L304 HydrophobicContact CB-CD1 4.07Å; L278-L304 HydrophobicContact CD2-CD1 3.55Å; L278-L304 HydrophobicContact CG-CD1 4.45Å; D300-L304 PolarHBondContact O-N 3.35Å; I301-L304 PolarHBondContact O-N 3.3Å; A302-L304 VanDerWaalsContact C-N 3.34Å; A302-L304 PolarHBondContact O-N 3.23Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.36Å; L304-F307 PolarHBondContact O-N 3.24Å; L304-Y308 HydrophobicContact CB-CD2 4.4Å; L304-Y308 HydrophobicContact CB-CE2 4.43Å; L304-Y308 VanDerWaalsContact O-CD2 3.3Å; L304-Y308 WeakPolarHBondContact O-CD2 3.3Å; L304-Y308 PolarHBondContact O-N 2.93Å; L304-Y308 VanDerWaalsContact O-N 3.1Å
305F87.8Confident84.4Confident112 Ų11251.7 Ų51.749%0.49126%0.26SS..Hα-helixtrans-53.3-45.4179.7178.9-116.7000111.8I301 A302 F307 Y308 I309 F352I301-F305 WeakPolarHBondContact O-CB 3.26Å; I301-F305 PolarHBondContact O-N 3.41Å; A302-F305 PolarHBondContact O-N 3.12Å; F305-F307 PolarHBondContact O-N 3.42Å; F305-Y308 PolarHBondContact O-N 3.38Å; F305-I309 HydrophobicContact CD1-CD1 3.5Å; F305-I309 VanDerWaalsContact CD1-CD1 3.5Å; F305-I309 HydrophobicContact CD1-CG1 4.49Å; F305-I309 HydrophobicContact CD2-CD1 3.96Å; F305-I309 HydrophobicContact CD2-CG1 4.14Å; F305-I309 HydrophobicContact CE1-CD1 3.13Å; F305-I309 HydrophobicContact CE1-CG1 4.24Å; F305-I309 HydrophobicContact CE2-CD1 3.63Å; F305-I309 HydrophobicContact CE2-CG1 3.84Å; F305-I309 HydrophobicContact CG-CD1 3.91Å; F305-I309 HydrophobicContact CG-CG1 4.46Å; F305-I309 HydrophobicContact CZ-CD1 3.2Å; F305-I309 HydrophobicContact CZ-CG1 3.91Å; F305-I309 VanDerWaalsContact O-CG1 3.3Å; F305-I309 WeakPolarHBondContact O-CG1 2.88Å; F305-I309 PolarHBondContact O-N 3.48Å; F305-F352 HydrophobicContact CE1-CE1 4.45Å
306S84.4Confident83.8Confident1 Ų151.3 Ų51.31%0.00726%0.258CS..Hα-helixtrans-52.7-47.3174.5171.20000113.5A302 L304 Q310 F352A302-S306 PolarHBondContact O-N 3.25Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.36Å; S306-Q310 PolarHBondContact O-N 3.47Å; S306-F352 WeakPolarHBondContact CB-O 3.17Å; S306-F352 PolarHBondContact OG-O 3.25Å
307F85.5Confident82.9Confident25 Ų2554 Ų5411%0.1127%0.27CS..Hα-helixtrans-68.1-45.1-178.8174.4-103.1000111.9N271 L304 F305 Q310 V311N271-F307 HydrophobicContact CB-CD1 3.71Å; N271-F307 HydrophobicContact CB-CD2 4.37Å; N271-F307 HydrophobicContact CB-CE1 3.71Å; N271-F307 HydrophobicContact CB-CE2 4.36Å; N271-F307 HydrophobicContact CB-CG 4.05Å; N271-F307 HydrophobicContact CB-CZ 4.04Å; N271-F307 WeakPolarHBondContact ND2-CD2 3.48Å; N271-F307 WeakPolarHBondContact ND2-CE2 3.46Å; N271-F307 WeakPolarHBondContact ND2-CG 3.3Å; N271-F307 WeakPolarHBondContact OD1-CB 3.33Å; L304-F307 PolarHBondContact O-N 3.24Å; F305-F307 PolarHBondContact O-N 3.42Å; F307-Q310 PolarHBondContact O-N 3.48Å; F307-V311 HydrophobicContact CD1-CG2 4.3Å; F307-V311 HydrophobicContact CD2-CG2 4.42Å; F307-V311 HydrophobicContact CE1-CG2 3.86Å; F307-V311 HydrophobicContact CE2-CG2 4.01Å; F307-V311 HydrophobicContact CZ-CG2 3.71Å; F307-V311 WeakPolarHBondContact O-CG2 3.18Å; F307-V311 PolarHBondContact O-N 2.64Å
308Y87.2Confident81.5Confident99 Ų9961 Ų6139%0.38830%0.303SS..Hα-helixtrans-68.8-35.7-179-76.9-71.5000113.1T275 L304 F305 Q310 V311 I312T275-Y308 HydrophobicContact CG2-CE2 3.57Å; T275-Y308 WeakPolarHBondContact CG2-OH 3.33Å; L304-Y308 HydrophobicContact CB-CD2 4.4Å; L304-Y308 HydrophobicContact CB-CE2 4.43Å; L304-Y308 VanDerWaalsContact O-CD2 3.3Å; L304-Y308 WeakPolarHBondContact O-CD2 3.3Å; L304-Y308 PolarHBondContact O-N 2.93Å; L304-Y308 VanDerWaalsContact O-N 3.1Å; F305-Y308 PolarHBondContact O-N 3.38Å; Y308-Q310 VanDerWaalsContact C-N 3.28Å; Y308-Q310 PolarHBondContact O-N 3.38Å; Y308-V311 PolarHBondContact O-N 3.03Å; Y308-I312 WeakPolarHBondContact O-CB 3.45Å; Y308-I312 WeakPolarHBondContact O-CD1 3.19Å; Y308-I312 WeakPolarHBondContact O-CG1 3.23Å; Y308-I312 PolarHBondContact O-N 3.24Å
309I84.6Confident79.9Confident25 Ų2560 Ų6013%0.12830%0.303CS..Hα-helixtrans-56.4-48.7171.4-71.9165000109.7F305 V311 I312 L313 F352F305-I309 HydrophobicContact CD1-CD1 3.5Å; F305-I309 VanDerWaalsContact CD1-CD1 3.5Å; F305-I309 HydrophobicContact CD1-CG1 4.49Å; F305-I309 HydrophobicContact CD2-CD1 3.96Å; F305-I309 HydrophobicContact CD2-CG1 4.14Å; F305-I309 HydrophobicContact CE1-CD1 3.13Å; F305-I309 HydrophobicContact CE1-CG1 4.24Å; F305-I309 HydrophobicContact CE2-CD1 3.63Å; F305-I309 HydrophobicContact CE2-CG1 3.84Å; F305-I309 HydrophobicContact CG-CD1 3.91Å; F305-I309 HydrophobicContact CG-CG1 4.46Å; F305-I309 HydrophobicContact CZ-CD1 3.2Å; F305-I309 HydrophobicContact CZ-CG1 3.91Å; F305-I309 VanDerWaalsContact O-CG1 3.3Å; F305-I309 WeakPolarHBondContact O-CG1 2.88Å; F305-I309 PolarHBondContact O-N 3.48Å; I309-V311 PolarHBondContact O-N 3.4Å; I309-I312 PolarHBondContact O-N 2.88Å; I309-L313 HydrophobicContact CG2-CD1 3.51Å; I309-L313 HydrophobicContact CG2-CG 4.02Å; I309-L313 WeakPolarHBondContact O-CB 3.35Å; I309-L313 VanDerWaalsContact O-CG 3.24Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 3.2Å; I309-F352 HydrophobicContact CD1-CD1 4.06Å; I309-F352 HydrophobicContact CD1-CD2 4.47Å; I309-F352 HydrophobicContact CD1-CE1 4.11Å; I309-F352 HydrophobicContact CD1-CG 4.25Å; I309-F352 HydrophobicContact CD1-CZ 4.35Å; I309-F352 HydrophobicContact CG2-CD2 4.18Å
310Q80.4Confident77.9Confident38 Ų3867.5 Ų67.518%0.17833%0.331CS..Hα-helixtrans-63.2-42.9-178.9-175.2172.327.100112.6S306 F307 Y308 L313 L314 I349S306-Q310 PolarHBondContact O-N 3.47Å; F307-Q310 PolarHBondContact O-N 3.48Å; Y308-Q310 VanDerWaalsContact C-N 3.28Å; Y308-Q310 PolarHBondContact O-N 3.38Å; Q310-L313 PolarHBondContact O-N 3.26Å; Q310-L314 VanDerWaalsContact O-CB 3.24Å; Q310-L314 WeakPolarHBondContact O-CB 3.04Å; Q310-L314 PolarHBondContact O-N 3.03Å; Q310-I349 HydrophobicContact CG-CG2 3.99Å
311V82.8Confident76Confident64 Ų6475.2 Ų75.239%0.38837%0.367SS..Hα-helixtrans-63.2-42.7176.6173.20000111.2F307 Y308 I309 H315F307-V311 HydrophobicContact CD1-CG2 4.3Å; F307-V311 HydrophobicContact CD2-CG2 4.42Å; F307-V311 HydrophobicContact CE1-CG2 3.86Å; F307-V311 HydrophobicContact CE2-CG2 4.01Å; F307-V311 HydrophobicContact CZ-CG2 3.71Å; F307-V311 WeakPolarHBondContact O-CG2 3.18Å; F307-V311 PolarHBondContact O-N 2.64Å; Y308-V311 PolarHBondContact O-N 3.03Å; I309-V311 PolarHBondContact O-N 3.4Å; V311-H315 WeakPolarHBondContact O-CB 3.18Å; V311-H315 PolarHBondContact O-N 3.2Å
312I82.8Confident73.9Confident96 Ų9675.2 Ų75.249%0.49238%0.382SS..Hα-helixtrans-65.8-45.5178.4-69.5165000110.6Y308 I309 H315 N316Y308-I312 WeakPolarHBondContact O-CB 3.45Å; Y308-I312 WeakPolarHBondContact O-CD1 3.19Å; Y308-I312 WeakPolarHBondContact O-CG1 3.23Å; Y308-I312 PolarHBondContact O-N 3.24Å; I309-I312 PolarHBondContact O-N 2.88Å; I312-H315 PolarHBondContact O-N 3.44Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.26Å; I312-N316 WeakPolarHBondContact O-CB 3.13Å; I312-N316 VanDerWaalsContact O-CG 3.31Å; I312-N316 PolarHBondContact O-N 3.46Å; I312-N316 PolarHBondContact O-ND2 2.89Å; I312-N316 VanDerWaalsContact O-ND2 3.08Å
313L75.9Confident71.7Confident39 Ų3980.7 Ų80.720%0.20441%0.407CS..Hα-helixtrans-64.5-41.8178.3-69.5177.6000111.6I309 Q310 H315 N316 H317 L345 I349I309-L313 HydrophobicContact CG2-CD1 3.51Å; I309-L313 HydrophobicContact CG2-CG 4.02Å; I309-L313 WeakPolarHBondContact O-CB 3.35Å; I309-L313 VanDerWaalsContact O-CG 3.24Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 3.2Å; Q310-L313 PolarHBondContact O-N 3.26Å; L313-H315 VanDerWaalsContact C-N 3.33Å; L313-H315 PolarHBondContact O-N 2.99Å; L313-N316 PolarHBondContact O-N 2.87Å; L313-H317 WeakPolarHBondContact O-CB 3.45Å; L313-H317 PolarHBondContact O-N 3.31Å; L313-L345 HydrophobicContact CD2-CD1 4.15Å; L313-I349 HydrophobicContact CB-CD1 4.08Å; L313-I349 HydrophobicContact CB-CG1 4.26Å; L313-I349 HydrophobicContact CD1-CD1 4.2Å; L313-I349 HydrophobicContact CD1-CG1 3.56Å
314L71.4Confident69.3Low126 Ų12687.7 Ų87.766%0.6644%0.444SS*.Hα-helixtrans-61.5-41.6173.9-169.984.9000111.5Q310 H317 H318Q310-L314 VanDerWaalsContact O-CB 3.24Å; Q310-L314 WeakPolarHBondContact O-CB 3.04Å; Q310-L314 PolarHBondContact O-N 3.03Å; L314-H317 PolarHBondContact O-N 3.3Å; L314-H318 PolarHBondContact O-N 3.27Å
315H75.8Confident67Low123 Ų12394.5 Ų94.557%0.56948%0.481SS*.Hα-helixtrans-68-39.6179-174.465.4000112.6V311 I312 L313 H318 S319V311-H315 WeakPolarHBondContact O-CB 3.18Å; V311-H315 PolarHBondContact O-N 3.2Å; I312-H315 PolarHBondContact O-N 3.44Å; L313-H315 VanDerWaalsContact C-N 3.33Å; L313-H315 PolarHBondContact O-N 2.99Å; H315-H318 PolarHBondContact O-N 3.06Å; H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 3.19Å
316N71.6Confident64.8Low87 Ų8796.1 Ų96.147%0.46549%0.494SS..Hα-helixtrans-66.2-40.1175.3-71.9-38.6000111.4I312 L313 S319 Y320I312-N316 WeakPolarHBondContact CG2-ND2 3.26Å; I312-N316 WeakPolarHBondContact O-CB 3.13Å; I312-N316 VanDerWaalsContact O-CG 3.31Å; I312-N316 PolarHBondContact O-N 3.46Å; I312-N316 PolarHBondContact O-ND2 2.89Å; I312-N316 VanDerWaalsContact O-ND2 3.08Å; L313-N316 PolarHBondContact O-N 2.87Å; N316-S319 PolarHBondContact O-N 3.32Å; N316-Y320 PolarHBondContact O-N 3.08Å
317H65.3Low62.7Low92 Ų92103.7 Ų103.743%0.42654%0.535SS..Hα-helixtrans-64.7-41.6175.7-171.6-83.4000111.8L313 L314 S319 Y320 H321L313-H317 WeakPolarHBondContact O-CB 3.45Å; L313-H317 PolarHBondContact O-N 3.31Å; L314-H317 PolarHBondContact O-N 3.3Å; H317-S319 VanDerWaalsContact C-N 3.29Å; H317-S319 PolarHBondContact O-N 3.09Å; H317-Y320 PolarHBondContact O-N 2.89Å; H317-H321 PolarHBondContact O-N 3.35Å
318H59.3Low60.7Low148 Ų148110 Ų11069%0.68557%0.57SS**Hα-helixtrans-69.7-27.1175.1-159.6-83.5000112.8L314 H315L314-H318 PolarHBondContact O-N 3.27Å; H315-H318 PolarHBondContact O-N 3.06Å
319S54Low58.5Low69 Ų69111.7 Ų111.748%0.48359%0.586SS.*Hα-helixtrans-75.2-28.8174.5-68.50000112.9H315 N316 H317H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 3.19Å; N316-S319 PolarHBondContact O-N 3.32Å; H317-S319 VanDerWaalsContact C-N 3.29Å; H317-S319 PolarHBondContact O-N 3.09Å
320Y46.2Very low56.7Low175 Ų175116.8 Ų116.869%0.68661%0.612SS**Hα-helixtrans-76.8-29.4178.6-141.3-94.7000112.8N316 H317 H338N316-Y320 PolarHBondContact O-N 3.08Å; H317-Y320 PolarHBondContact O-N 2.89Å; Y320-H338 AromaticContact CD1-CE1 3.94Å; Y320-H338 AromaticContact CE1-CE1 3.72Å
321H49Very low54.8Low162 Ų162122.2 Ų122.275%0.7564%0.642SS**THydrogen-bonded Turntrans-89.20.4179.4-150.1-71.5000114.3H317H317-H321 PolarHBondContact O-N 3.35Å
322G45.9Very low52.7Low59 Ų59122.7 Ų122.761%0.60866%0.66SS**THydrogen-bonded Turntrans-96.4-4.2-173.900000117
323N39.7Very low50.6Low143 Ų143125.5 Ų125.577%0.76568%0.676SS**SBendtrans-119.35.6-171.1-158.121.6000115.9
324N36.3Very low48.8Very low148 Ų148131 Ų13179%0.79171%0.706SS**  trans-105.440.4-178.3-85.7-5.4000114
325N42.4Very low47.3Very low153 Ų153128.5 Ų128.582%0.81871%0.71SS**  trans-93.411.1175.6-86.1-4.6000115
326N41.6Very low45.6Very low146 Ų146127.5 Ų127.578%0.78172%0.717SS**SBendtrans-140.193.8174.4-67.7-39.5000109.1
327N40.3Very low44.3Very low160 Ų160132.7 Ų132.786%0.85673%0.731SS**  trans174.380.9143.2-81.9-16.6000109N329N327-N329 PolarHBondContact O-N 3.44Å
328N42Very low43.5Very low158 Ų158133.2 Ų133.285%0.84573%0.734SS**  trans-67.8109.4151.9-68-22.7000106.5
329N41.1Very low43.2Very low135 Ų135130 Ų13072%0.72273%0.728SS**  trans179.2105.4147-86.8-22.2000107.2N327N327-N329 PolarHBondContact O-N 3.44Å
330I47.1Very low43.4Very low132 Ų132131.9 Ų131.968%0.67773%0.733SS**  72.5116.5104.1-63.5165.2000111.2
331N41Very low44Very low152 Ų152128.6 Ų128.681%0.81373%0.727SS**  trans84.2109.3178-42.4-36.2000112.2
332G39Very low44.7Very low74 Ų74123.3 Ų123.376%0.76370%0.704SS**  87.9113.459.400000107.3
333D37.6Very low45.8Very low155 Ų155124.5 Ų124.583%0.82970%0.699SS**  trans87.6126.9-177.9-82.3-21.8000119.6
334N37.8Very low47.4Very low155 Ų155121.3 Ų121.383%0.82969%0.685SS**  trans9040.6159.7-48.7-42000120.1
335G40.6Very low49Very low73 Ų73116.8 Ų116.875%0.75366%0.661SS**  trans-96.9-3.5-179.700000118.7
336S40.4Very low50.4Low102 Ų102113.6 Ų113.671%0.71364%0.643SS**THydrogen-bonded Turntrans-92.81-16641.90000116.8H338S336-H338 PolarHBondContact O-N 3.33Å
337Y43.9Very low52Low196 Ų196109.7 Ų109.777%0.76963%0.627SS**THydrogen-bonded Turntrans-85.43.3179.2-94.2-82.3000115.4N341Y337-N341 PolarHBondContact O-ND2 3.1Å
338H48.3Very low53.8Low103 Ų103106 Ų10648%0.47761%0.606SS.*SBendtrans-87.5-27.1-179.4-135.893.6000113.9Y320 S336 D342Y320-H338 AromaticContact CD1-CE1 3.94Å; Y320-H338 AromaticContact CE1-CE1 3.72Å; S336-H338 PolarHBondContact O-N 3.33Å; H338-D342 IonicContact CD2-OD2 2.71Å
339S52.4Low55.4Low79 Ų79100 Ų10055%0.55257%0.574SS**Hα-helixtrans-72.7-37.3-171.7-163.60000114N341 D342 V343S339-N341 PolarHBondContact O-N 2.73Å; S339-D342 PolarHBondContact O-N 3.06Å; S339-V343 WeakPolarHBondContact O-CG2 3.41Å; S339-V343 PolarHBondContact O-N 3.3Å
340D58.1Low57Low110 Ų11099.5 Ų99.559%0.58857%0.567SS**Hα-helixtrans-69.6-35.1-176.9-71.4-17.8000112.8D342 T344D340-D342 VanDerWaalsContact C-N 3.32Å; D340-T344 WeakPolarHBondContact O-CG2 3.46Å; D340-T344 PolarHBondContact O-N 3.35Å; D340-T344 VanDerWaalsContact O-N 3.15Å; D340-T344 PolarHBondContact O-OG1 3.46Å
341N60Low58.6Low106 Ų106100 Ų10057%0.56757%0.565SS**Hα-helixtrans-68.7-34.5176.7-69.5-49000111.2Y337 S339 T344 L345Y337-N341 PolarHBondContact O-ND2 3.1Å; S339-N341 PolarHBondContact O-N 2.73Å; N341-T344 WeakPolarHBondContact CA-OG1 3.18Å; N341-T344 PolarHBondContact O-OG1 2.99Å; N341-L345 WeakPolarHBondContact O-CB 3.25Å; N341-L345 PolarHBondContact O-N 3.35Å
342D64.1Low60.5Low50 Ų5095.5 Ų95.527%0.26754%0.538SS..Hα-helixtrans-70.4-44178.9-68.3-21.1000111.7H338 S339 D340 T344 L345 I346H338-D342 IonicContact CD2-OD2 2.71Å; S339-D342 PolarHBondContact O-N 3.06Å; D340-D342 VanDerWaalsContact C-N 3.32Å; D342-T344 PolarHBondContact O-N 3.36Å; D342-L345 PolarHBondContact O-N 3.23Å; D342-I346 WeakPolarHBondContact O-CD1 3.3Å; D342-I346 WeakPolarHBondContact O-CG1 3.36Å; D342-I346 PolarHBondContact O-N 3.14Å
343V69.1Low62.4Low85 Ų8592.7 Ų92.752%0.51551%0.507SS..Hα-helixtrans-65.2-41.6178.3178.90000111.6S339 I346 S347S339-V343 WeakPolarHBondContact O-CG2 3.41Å; S339-V343 PolarHBondContact O-N 3.3Å; V343-I346 PolarHBondContact O-N 2.93Å; V343-S347 WeakPolarHBondContact O-CB 3.45Å; V343-S347 PolarHBondContact O-N 3.32Å; V343-S347 PolarHBondContact O-OG 2.95Å
344T72.9Confident64.6Low76 Ų7690.2 Ų90.247%0.46649%0.492SS..Hα-helixtrans-67.6-39.317752.80000111.6D340 N341 D342 S347 I348D340-T344 WeakPolarHBondContact O-CG2 3.46Å; D340-T344 PolarHBondContact O-N 3.35Å; D340-T344 VanDerWaalsContact O-N 3.15Å; D340-T344 PolarHBondContact O-OG1 3.46Å; N341-T344 WeakPolarHBondContact CA-OG1 3.18Å; N341-T344 PolarHBondContact O-OG1 2.99Å; D342-T344 PolarHBondContact O-N 3.36Å; T344-S347 PolarHBondContact O-N 3.42Å; T344-I348 WeakPolarHBondContact O-CB 3.33Å; T344-I348 WeakPolarHBondContact O-CD1 3.18Å; T344-I348 WeakPolarHBondContact O-CG1 3.3Å; T344-I348 PolarHBondContact O-N 3.28Å
345L70.3Confident66.8Low52 Ų5285.4 Ų85.427%0.27247%0.466SS..Hα-helixtrans-64-43.3175.4-171.2114.1000112.1L313 N341 D342 I348 I349L313-L345 HydrophobicContact CD2-CD1 4.15Å; N341-L345 WeakPolarHBondContact O-CB 3.25Å; N341-L345 PolarHBondContact O-N 3.35Å; D342-L345 PolarHBondContact O-N 3.23Å; L345-I348 PolarHBondContact O-N 3.11Å; L345-I349 HydrophobicContact CD2-CD1 3.7Å; L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 VanDerWaalsContact O-CG1 3.26Å; L345-I349 WeakPolarHBondContact O-CG1 2.9Å; L345-I349 PolarHBondContact O-N 3.04Å
346I70.8Confident68.8Low86 Ų8682.4 Ų82.444%0.44143%0.432SS..Hα-helixtrans-60-47.3174.8-68.1162000110.2D342 V343 I348 I349 E350D342-I346 WeakPolarHBondContact O-CD1 3.3Å; D342-I346 WeakPolarHBondContact O-CG1 3.36Å; D342-I346 PolarHBondContact O-N 3.14Å; V343-I346 PolarHBondContact O-N 2.93Å; I346-I348 VanDerWaalsContact C-N 3.28Å; I346-I348 PolarHBondContact O-N 3.04Å; I346-I349 WeakPolarHBondContact O-CB 3.3Å; I346-I349 PolarHBondContact O-N 2.9Å; I346-I349 VanDerWaalsContact O-N 3.11Å; I346-E350 WeakPolarHBondContact O-CG 3.23Å; I346-E350 PolarHBondContact O-N 3.08Å
347S75.7Confident70.9Confident64 Ų6481 Ų8145%0.44842%0.42SS..Hα-helixtrans-58.9-39.9177.2-55.90000112V343 T344 E350 F351V343-S347 WeakPolarHBondContact O-CB 3.45Å; V343-S347 PolarHBondContact O-N 3.32Å; V343-S347 PolarHBondContact O-OG 2.95Å; T344-S347 PolarHBondContact O-N 3.42Å; S347-E350 PolarHBondContact O-N 2.62Å; S347-F351 WeakPolarHBondContact O-CB 3.36Å; S347-F351 PolarHBondContact O-N 3.21Å
348I77Confident72.9Confident83 Ų8374.8 Ų74.843%0.42640%0.398SS..Hα-helixtrans-67-42.2176-69.7163.2000111.1T344 L345 I346 E350 F351 F352T344-I348 WeakPolarHBondContact O-CB 3.33Å; T344-I348 WeakPolarHBondContact O-CD1 3.18Å; T344-I348 WeakPolarHBondContact O-CG1 3.3Å; T344-I348 PolarHBondContact O-N 3.28Å; L345-I348 PolarHBondContact O-N 3.11Å; I346-I348 VanDerWaalsContact C-N 3.28Å; I346-I348 PolarHBondContact O-N 3.04Å; I348-E350 VanDerWaalsContact C-N 3.34Å; I348-E350 PolarHBondContact O-N 3.01Å; I348-F351 PolarHBondContact O-N 3.19Å; I348-F352 HydrophobicContact CG2-CD2 3.64Å; I348-F352 HydrophobicContact CG2-CE2 3.49Å; I348-F352 VanDerWaalsContact CG2-CE2 3.49Å; I348-F352 WeakPolarHBondContact O-CD2 3.18Å; I348-F352 PolarHBondContact O-N 3.11Å
349I75.4Confident74.6Confident32 Ų3270.2 Ų70.216%0.16438%0.377CS..Hα-helixtrans-62.2-42176.6-70.5163.8000110.9Q310 L313 L345 I346 F352 S353Q310-I349 HydrophobicContact CG-CG2 3.99Å; L313-I349 HydrophobicContact CB-CD1 4.08Å; L313-I349 HydrophobicContact CB-CG1 4.26Å; L313-I349 HydrophobicContact CD1-CD1 4.2Å; L313-I349 HydrophobicContact CD1-CG1 3.56Å; L345-I349 HydrophobicContact CD2-CD1 3.7Å; L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 VanDerWaalsContact O-CG1 3.26Å; L345-I349 WeakPolarHBondContact O-CG1 2.9Å; L345-I349 PolarHBondContact O-N 3.04Å; I346-I349 WeakPolarHBondContact O-CB 3.3Å; I346-I349 PolarHBondContact O-N 2.9Å; I346-I349 VanDerWaalsContact O-N 3.11Å; I349-F352 PolarHBondContact O-N 3.25Å; I349-S353 PolarHBondContact O-N 3.21Å; I349-S353 PolarHBondContact O-OG 3.04Å
350E76.1Confident76.2Confident125 Ų12570.5 Ų70.558%0.58437%0.372SS*.Hα-helixtrans-64.5-44.5176.3-72.3-179.1174.500111.5I346 S347 I348 F352 S353I346-E350 WeakPolarHBondContact O-CG 3.23Å; I346-E350 PolarHBondContact O-N 3.08Å; S347-E350 PolarHBondContact O-N 2.62Å; I348-E350 VanDerWaalsContact C-N 3.34Å; I348-E350 PolarHBondContact O-N 3.01Å; E350-F352 PolarHBondContact O-N 3.14Å; E350-S353 VanDerWaalsContact O-CB 3.28Å; E350-S353 WeakPolarHBondContact O-CB 3.45Å; E350-S353 PolarHBondContact O-N 3.14Å
351F80.1Confident77.5Confident142 Ų14270 Ų7062%0.62336%0.364SS*.Hα-helixtrans-58.3-46.6175.7179.8-97.8000112.1S347 I348 S353 I354S347-F351 WeakPolarHBondContact O-CB 3.36Å; S347-F351 PolarHBondContact O-N 3.21Å; I348-F351 PolarHBondContact O-N 3.19Å; F351-S353 PolarHBondContact O-N 3.19Å; F351-I354 WeakPolarHBondContact O-CB 3.36Å; F351-I354 PolarHBondContact O-N 3.33Å
352F81.7Confident78.7Confident57 Ų5765.2 Ų65.225%0.2534%0.339CS..Hα-helixtrans-67.5-22.6176.6-77.8-61000113.1F305 S306 I309 I348 I349 E350 I354 L355F305-F352 HydrophobicContact CE1-CE1 4.45Å; S306-F352 WeakPolarHBondContact CB-O 3.17Å; S306-F352 PolarHBondContact OG-O 3.25Å; I309-F352 HydrophobicContact CD1-CD1 4.06Å; I309-F352 HydrophobicContact CD1-CD2 4.47Å; I309-F352 HydrophobicContact CD1-CE1 4.11Å; I309-F352 HydrophobicContact CD1-CG 4.25Å; I309-F352 HydrophobicContact CD1-CZ 4.35Å; I309-F352 HydrophobicContact CG2-CD2 4.18Å; I348-F352 HydrophobicContact CG2-CD2 3.64Å; I348-F352 HydrophobicContact CG2-CE2 3.49Å; I348-F352 VanDerWaalsContact CG2-CE2 3.49Å; I348-F352 WeakPolarHBondContact O-CD2 3.18Å; I348-F352 PolarHBondContact O-N 3.11Å; I349-F352 PolarHBondContact O-N 3.25Å; E350-F352 PolarHBondContact O-N 3.14Å; F352-I354 VanDerWaalsContact C-N 3.25Å; F352-I354 PolarHBondContact O-N 2.98Å; F352-L355 HydrophobicContact CD1-CD1 3.75Å; F352-L355 HydrophobicContact CE1-CD1 4.38Å; F352-L355 WeakPolarHBondContact O-CB 3.38Å; F352-L355 PolarHBondContact O-N 3.36Å
353S79.2Confident79.6Confident16 Ų1664.3 Ų64.311%0.11233%0.333CS..Hα-helixtrans-66.7-26.7175.9-62.20000112.2I349 E350 F351 L355 R356I349-S353 PolarHBondContact O-N 3.21Å; I349-S353 PolarHBondContact O-OG 3.04Å; E350-S353 VanDerWaalsContact O-CB 3.28Å; E350-S353 WeakPolarHBondContact O-CB 3.45Å; E350-S353 PolarHBondContact O-N 3.14Å; F351-S353 PolarHBondContact O-N 3.19Å; S353-L355 PolarHBondContact O-N 3.47Å; S353-R356 WeakPolarHBondContact O-CB 3.27Å; S353-R356 VanDerWaalsContact O-CD 3.26Å; S353-R356 WeakPolarHBondContact O-CD 3.29Å; S353-R356 WeakPolarHBondContact O-CG 3.16Å; S353-R356 PolarHBondContact O-N 2.81Å
354I82.7Confident80.2Confident102 Ų10260.4 Ų60.452%0.52331%0.31SS..Hα-helixtrans-62.2-32.5175.1-59.7170.8000111.3F351 F352 R356 V357F351-I354 WeakPolarHBondContact O-CB 3.36Å; F351-I354 PolarHBondContact O-N 3.33Å; F352-I354 VanDerWaalsContact C-N 3.25Å; F352-I354 PolarHBondContact O-N 2.98Å; I354-R356 PolarHBondContact O-N 2.92Å; I354-V357 WeakPolarHBondContact O-CB 3.42Å; I354-V357 WeakPolarHBondContact O-CG2 3.33Å; I354-V357 PolarHBondContact O-N 3.33Å
355L83.9Confident80.4Confident54 Ų5457.2 Ų57.228%0.28329%0.289SS..G310 helixtrans-60.9-17176.4-65.6-179.7000113.1F352 S353 V357 M358F352-L355 HydrophobicContact CD1-CD1 3.75Å; F352-L355 HydrophobicContact CE1-CD1 4.38Å; F352-L355 WeakPolarHBondContact O-CB 3.38Å; F352-L355 PolarHBondContact O-N 3.36Å; S353-L355 PolarHBondContact O-N 3.47Å; L355-V357 PolarHBondContact O-N 3.12Å; L355-M358 HydrophobicContact CD2-CG 4.41Å; L355-M358 WeakPolarHBondContact O-CB 3.41Å; L355-M358 WeakPolarHBondContact O-CG 3.43Å; L355-M358 PolarHBondContact O-N 2.81Å
356R83.8Confident80.9Confident11 Ų1156.4 Ų56.44%0.04228%0.284CS..G310 helixtrans-59.5-30.5173.2-63.5167.1170.2-146.4-18.9111.8Y186 E267 S353 I354 M358 R359Y186-R356 HydrophobicContact CD2-CB 4.48Å; E267-R356 IonicContact OE1-CZ 2.71Å; E267-R356 IonicContact OE1-NH1 3.37Å; E267-R356 PolarHBondContact OE1-NH1 3.04Å; E267-R356 IonicContact OE1-NH2 3.83Å; E267-R356 IonicContact OE2-CZ 2.68Å; E267-R356 VanDerWaalsContact OE2-CZ 3.3Å; E267-R356 IonicContact OE2-NH1 3.57Å; E267-R356 PolarHBondContact OE2-NH1 3.12Å; E267-R356 IonicContact OE2-NH2 2.72Å; E267-R356 PolarHBondContact OE2-NH2 3.5Å; S353-R356 WeakPolarHBondContact O-CB 3.27Å; S353-R356 VanDerWaalsContact O-CD 3.26Å; S353-R356 WeakPolarHBondContact O-CD 3.29Å; S353-R356 WeakPolarHBondContact O-CG 3.16Å; S353-R356 PolarHBondContact O-N 2.81Å; I354-R356 PolarHBondContact O-N 2.92Å; R356-M358 PolarHBondContact O-N 3.46Å; R356-R359 VanDerWaalsContact O-CB 3.32Å; R356-R359 WeakPolarHBondContact O-CB 3.24Å; R356-R359 WeakPolarHBondContact O-CD 3.13Å; R356-R359 WeakPolarHBondContact O-CG 3.48Å; R356-R359 PolarHBondContact O-N 3.22Å; R356-R359 VanDerWaalsContact O-N 3.14Å
357V84.4Confident81.4Confident73 Ų7356.2 Ų56.244%0.44228%0.283SS..G310 helixtrans-62.1-26.4175.9-179.10000111.7Y186 I354 L355 R359 L360Y186-V357 HydrophobicContact CD1-CG2 4.48Å; Y186-V357 HydrophobicContact CE1-CG2 3.81Å; I354-V357 WeakPolarHBondContact O-CB 3.42Å; I354-V357 WeakPolarHBondContact O-CG2 3.33Å; I354-V357 PolarHBondContact O-N 3.33Å; L355-V357 PolarHBondContact O-N 3.12Å; V357-R359 PolarHBondContact O-N 2.59Å; V357-L360 VanDerWaalsContact O-CB 3.32Å; V357-L360 WeakPolarHBondContact O-CB 3.46Å; V357-L360 PolarHBondContact O-N 3.5Å
358M84.3Confident81.2Confident64 Ų6456.9 Ų56.932%0.31529%0.288SS..G310 helixtrans-59.1-19.3176.8-62.1-66.9-81.600113I299 L355 R356 L360 F361I299-M358 WeakPolarHBondContact CG2-O 3.39Å; L355-M358 HydrophobicContact CD2-CG 4.41Å; L355-M358 WeakPolarHBondContact O-CB 3.41Å; L355-M358 WeakPolarHBondContact O-CG 3.43Å; L355-M358 PolarHBondContact O-N 2.81Å; R356-M358 PolarHBondContact O-N 3.46Å; M358-L360 PolarHBondContact O-N 2.83Å; M358-F361 HydrophobicContact CE-CD2 4.28Å; M358-F361 HydrophobicContact CE-CE2 4.44Å; M358-F361 WeakPolarHBondContact O-CB 3.45Å; M358-F361 PolarHBondContact O-N 3.47Å; M358-F361 HydrophobicContact SD-CD2 3.88Å; M358-F361 HydrophobicContact SD-CE2 3.78Å
359R84.4Confident81.2Confident8 Ų854.8 Ų54.83%0.0329%0.287CS..G310 helixtrans-57-28.8172.3-68.1170.5-167.8-156.5-3.4112.8N271 A303 R356 V357 F361 K362N271-R359 PolarHBondContact ND2-NH1 3.48Å; N271-R359 PolarHBondContact ND2-NH2 3.46Å; N271-R359 PolarHBondContact OD1-NH1 3.39Å; N271-R359 PolarHBondContact OD1-NH2 2.99Å; A303-R359 HydrophobicContact CB-CG 3.66Å; A303-R359 PolarHBondContact O-NH2 3.19Å; R356-R359 VanDerWaalsContact O-CB 3.32Å; R356-R359 WeakPolarHBondContact O-CB 3.24Å; R356-R359 WeakPolarHBondContact O-CD 3.13Å; R356-R359 WeakPolarHBondContact O-CG 3.48Å; R356-R359 PolarHBondContact O-N 3.22Å; R356-R359 VanDerWaalsContact O-N 3.14Å; V357-R359 PolarHBondContact O-N 2.59Å; R359-F361 PolarHBondContact O-N 2.98Å; R359-K362 VanDerWaalsContact O-CB 3.23Å; R359-K362 WeakPolarHBondContact O-CB 3.44Å; R359-K362 WeakPolarHBondContact O-CG 3.22Å; R359-K362 PolarHBondContact O-N 2.92Å
360L86.8Confident81.5Confident85 Ų8556.2 Ų56.245%0.44529%0.294SS..G310 helixtrans-57.7-37.5175.7-174.670.4000111.2I183 V357 M358 K362 L363I183-L360 HydrophobicContact CD1-CB 4.12Å; I183-L360 HydrophobicContact CD1-CD1 3.81Å; V357-L360 VanDerWaalsContact O-CB 3.32Å; V357-L360 WeakPolarHBondContact O-CB 3.46Å; V357-L360 PolarHBondContact O-N 3.5Å; M358-L360 PolarHBondContact O-N 2.83Å; L360-K362 PolarHBondContact O-N 3.22Å; L360-L363 HydrophobicContact CD1-CD1 3.78Å; L360-L363 VanDerWaalsContact O-CB 3.28Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 WeakPolarHBondContact O-CG 3.26Å; L360-L363 PolarHBondContact O-N 3.09Å; L360-L363 VanDerWaalsContact O-N 3.08Å
361F84.9Confident81.5Confident100 Ų10052.2 Ų52.244%0.43928%0.275SS..G310 helixtrans-69.9-12.3178-64.2-69000113.5I299 M358 R359 L363 T364I299-F361 HydrophobicContact CD1-CB 3.93Å; I299-F361 HydrophobicContact CG2-CB 3.72Å; M358-F361 HydrophobicContact CE-CD2 4.28Å; M358-F361 HydrophobicContact CE-CE2 4.44Å; M358-F361 WeakPolarHBondContact O-CB 3.45Å; M358-F361 PolarHBondContact O-N 3.47Å; M358-F361 HydrophobicContact SD-CD2 3.88Å; M358-F361 HydrophobicContact SD-CE2 3.78Å; R359-F361 PolarHBondContact O-N 2.98Å; F361-L363 PolarHBondContact O-N 3.46Å; F361-T364 VanDerWaalsContact O-CB 3.26Å; F361-T364 WeakPolarHBondContact O-CB 3.45Å; F361-T364 WeakPolarHBondContact O-CG2 3.3Å; F361-T364 PolarHBondContact O-N 2.92Å; F361-T364 VanDerWaalsContact O-N 3.11Å; F361-T364 PolarHBondContact O-OG1 3.37Å
362K84.2Confident81.4Confident5 Ų546.8 Ų46.82%0.02225%0.252CS..G310 helixtrans-62.3-26.1168.7-64.4-165.6177-133.40112.3I179 D300 R359 L360 T364 R365I179-K362 HydrophobicContact CD1-CB 3.65Å; I179-K362 HydrophobicContact CD1-CD 4.42Å; I179-K362 HydrophobicContact CG1-CB 4.4Å; D300-K362 WeakPolarHBondContact OD1-CD 3.36Å; D300-K362 WeakPolarHBondContact OD1-CE 3.19Å; D300-K362 WeakPolarHBondContact OD1-CG 3.22Å; D300-K362 IonicContact OD1-NZ 3.09Å; D300-K362 PolarHBondContact OD1-NZ 3.01Å; R359-K362 VanDerWaalsContact O-CB 3.23Å; R359-K362 WeakPolarHBondContact O-CB 3.44Å; R359-K362 WeakPolarHBondContact O-CG 3.22Å; R359-K362 PolarHBondContact O-N 2.92Å; L360-K362 PolarHBondContact O-N 3.22Å; K362-T364 PolarHBondContact O-N 3.4Å; K362-T364 VanDerWaalsContact O-N 3.11Å; K362-R365 WeakPolarHBondContact O-CB 3.24Å; K362-R365 PolarHBondContact O-N 3.42Å
363L83Confident81.4Confident30 Ų3047.1 Ų47.116%0.15726%0.256CS..G310 helixtrans-60.2-21.6175.1-65.1175.2000112.5I176 I179 L360 F361 R365 H366 I367I176-L363 HydrophobicContact CG1-CD2 4.3Å; I176-L363 HydrophobicContact CG2-CD2 4.28Å; I179-L363 HydrophobicContact CD1-CD2 4.09Å; I179-L363 HydrophobicContact CG2-CD2 4.23Å; I179-L363 HydrophobicContact CG2-CG 4.23Å; L360-L363 HydrophobicContact CD1-CD1 3.78Å; L360-L363 VanDerWaalsContact O-CB 3.28Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 WeakPolarHBondContact O-CG 3.26Å; L360-L363 PolarHBondContact O-N 3.09Å; L360-L363 VanDerWaalsContact O-N 3.08Å; F361-L363 PolarHBondContact O-N 3.46Å; L363-R365 PolarHBondContact O-N 3.31Å; L363-H366 PolarHBondContact O-N 3.07Å; L363-I367 HydrophobicContact CB-CD1 4.25Å; L363-I367 PolarHBondContact O-N 3.11Å
364T81.7Confident81.6Confident4 Ų449.7 Ų49.73%0.02527%0.268CS..G310 helixtrans-58.7-26.3173.864.90000112.8F361 K362 H366 L370 K371 I374F361-T364 VanDerWaalsContact O-CB 3.26Å; F361-T364 WeakPolarHBondContact O-CB 3.45Å; F361-T364 WeakPolarHBondContact O-CG2 3.3Å; F361-T364 PolarHBondContact O-N 2.92Å; F361-T364 VanDerWaalsContact O-N 3.11Å; F361-T364 PolarHBondContact O-OG1 3.37Å; K362-T364 PolarHBondContact O-N 3.4Å; K362-T364 VanDerWaalsContact O-N 3.11Å; T364-H366 VanDerWaalsContact C-N 3.34Å; T364-L370 HydrophobicContact CG2-CB 4.05Å; T364-L370 HydrophobicContact CG2-CD1 4.1Å; T364-K371 WeakPolarHBondContact O-CE 3.16Å; T364-K371 VanDerWaalsContact O-CG 3.27Å; T364-K371 WeakPolarHBondContact O-CG 3.13Å; T364-I374 HydrophobicContact CG2-CD1 3.89Å
365R78.5Confident81.5Confident8 Ų846 Ų463%0.0325%0.249CC..G310 helixtrans-67.2-36.4174.8-174.6-179.3-82.3120.6-0.8111.5E160 E277 I296 N297 D300 K362 L363E160-R365 IonicContact OE2-NE 3.02Å; E160-R365 PolarHBondContact OE2-NE 2.93Å; E277-R365 IonicContact OE1-NH1 3.17Å; I296-R365 HydrophobicContact CG2-CB 4.24Å; N297-R365 PolarHBondContact OD1-NH2 3.24Å; N297-R365 VanDerWaalsContact OD1-NH2 3.07Å; D300-R365 IonicContact OD1-NH1 3.69Å; D300-R365 IonicContact OD2-CZ 2.86Å; D300-R365 VanDerWaalsContact OD2-CZ 3.32Å; D300-R365 IonicContact OD2-NH1 3.62Å; D300-R365 PolarHBondContact OD2-NH1 3.17Å; D300-R365 IonicContact OD2-NH2 2.64Å; D300-R365 PolarHBondContact OD2-NH2 3.44Å; K362-R365 WeakPolarHBondContact O-CB 3.24Å; K362-R365 PolarHBondContact O-N 3.42Å; L363-R365 PolarHBondContact O-N 3.31Å
366H79.6Confident81.4Confident36 Ų3643.7 Ų43.717%0.16724%0.237CC..THydrogen-bonded Turntrans-94.5-33.8-172.9-59-71.4000113.4S175 I176 L363 T364S175-H366 PolarHBondContact OG-CE1 3.33Å; S175-H366 PolarHBondContact OG-NE2 3.02Å; I176-H366 HydrophobicContact CD1-CB 3.83Å; I176-H366 HydrophobicContact CG1-CB 4.18Å; L363-H366 PolarHBondContact O-N 3.07Å; T364-H366 VanDerWaalsContact C-N 3.34Å
367I81.5Confident81.4Confident82 Ų8248.1 Ų48.142%0.42126%0.257SS..  trans-96.1103.4-179.6-55.8175.2000109L363 G369 L370L363-I367 HydrophobicContact CB-CD1 4.25Å; L363-I367 PolarHBondContact O-N 3.11Å; I367-G369 PolarHBondContact O-N 3.43Å; I367-L370 HydrophobicContact CB-CD1 4.18Å; I367-L370 HydrophobicContact CB-CG 4.31Å; I367-L370 HydrophobicContact CD1-CD1 4.17Å; I367-L370 HydrophobicContact CG2-CD1 4.45Å; I367-L370 HydrophobicContact CG2-CG 4.12Å; I367-L370 PolarHBondContact O-N 3.04Å
368S72.2Confident81.4Confident78 Ų7852.6 Ų52.655%0.54527%0.27SS..Hα-helixtrans-58.6-32.5177.553.80000112.9L370 K371 I372S368-L370 VanDerWaalsContact C-N 3.32Å; S368-L370 PolarHBondContact O-N 2.92Å; S368-K371 WeakPolarHBondContact O-CB 3.48Å; S368-K371 PolarHBondContact O-N 3.43Å; S368-K371 VanDerWaalsContact O-N 3.14Å; S368-I372 WeakPolarHBondContact O-CG1 3.37Å; S368-I372 PolarHBondContact O-N 3.21Å; S368-I372 VanDerWaalsContact O-N 3.14Å
369G76.5Confident81.3Confident39 Ų3951.6 Ų51.640%0.40227%0.272SS..Hα-helixtrans-56.7-39.8175.700000113.9I367 I372 L373I367-G369 PolarHBondContact O-N 3.43Å; G369-I372 PolarHBondContact O-N 3.26Å; G369-L373 PolarHBondContact O-N 2.97Å
370L81.6Confident81.3Confident61 Ų6151.4 Ų51.432%0.31927%0.272SS..Hα-helixtrans-70.5-33.2177.7-71.4174.5000112.1T364 I367 S368 I372 L373 I374T364-L370 HydrophobicContact CG2-CB 4.05Å; T364-L370 HydrophobicContact CG2-CD1 4.1Å; I367-L370 HydrophobicContact CB-CD1 4.18Å; I367-L370 HydrophobicContact CB-CG 4.31Å; I367-L370 HydrophobicContact CD1-CD1 4.17Å; I367-L370 HydrophobicContact CG2-CD1 4.45Å; I367-L370 HydrophobicContact CG2-CG 4.12Å; I367-L370 PolarHBondContact O-N 3.04Å; S368-L370 VanDerWaalsContact C-N 3.32Å; S368-L370 PolarHBondContact O-N 2.92Å; L370-I372 VanDerWaalsContact C-N 3.33Å; L370-L373 HydrophobicContact CD2-CD2 4.32Å; L370-L373 PolarHBondContact O-N 2.89Å; L370-I374 WeakPolarHBondContact O-CG1 3.21Å; L370-I374 PolarHBondContact O-N 3.46Å
371K77Confident81.3Confident42 Ų4249.7 Ų49.718%0.18327%0.27CS..Hα-helixtrans-63.2-42.5173.5-63.1-175.1-178.8175.20111T364 S368 I374 L375T364-K371 WeakPolarHBondContact O-CE 3.16Å; T364-K371 VanDerWaalsContact O-CG 3.27Å; T364-K371 WeakPolarHBondContact O-CG 3.13Å; S368-K371 WeakPolarHBondContact O-CB 3.48Å; S368-K371 PolarHBondContact O-N 3.43Å; S368-K371 VanDerWaalsContact O-N 3.14Å; K371-I374 PolarHBondContact O-N 3.36Å; K371-L375 WeakPolarHBondContact O-CB 3.32Å; K371-L375 PolarHBondContact O-N 3.35Å
372I77.1Confident81.4Confident28 Ų2853.3 Ų53.314%0.14429%0.286CS..Hα-helixtrans-63.1-44.2175.9-62159000109.8S368 G369 L370 I374 L375 T376 T479S368-I372 WeakPolarHBondContact O-CG1 3.37Å; S368-I372 PolarHBondContact O-N 3.21Å; S368-I372 VanDerWaalsContact O-N 3.14Å; G369-I372 PolarHBondContact O-N 3.26Å; L370-I372 VanDerWaalsContact C-N 3.33Å; I372-I374 PolarHBondContact O-N 2.99Å; I372-L375 WeakPolarHBondContact O-CB 3.38Å; I372-L375 PolarHBondContact O-N 2.97Å; I372-T376 PolarHBondContact O-N 3.47Å; I372-T376 PolarHBondContact O-OG1 3.32Å; I372-T479 HydrophobicContact CD1-CG2 3.77Å
373L82.8Confident81.4Confident64 Ų6456.4 Ų56.434%0.33530%0.3SS..Hα-helixtrans-59.4-49.1177.6-174.268.5000112.1G369 L370 L375 T376 F377 F472G369-L373 PolarHBondContact O-N 2.97Å; L370-L373 HydrophobicContact CD2-CD2 4.32Å; L370-L373 PolarHBondContact O-N 2.89Å; L373-L375 VanDerWaalsContact C-N 3.26Å; L373-L375 PolarHBondContact O-N 3.31Å; L373-T376 PolarHBondContact O-N 3.47Å; L373-F377 HydrophobicContact CD1-CD2 4.06Å; L373-F377 HydrophobicContact CD1-CE2 3.58Å; L373-F377 HydrophobicContact CD1-CZ 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.12Å; L373-F377 HydrophobicContact CG-CD2 3.83Å; L373-F377 HydrophobicContact CG-CE2 3.62Å; L373-F377 VanDerWaalsContact O-CD2 3.22Å; L373-F377 WeakPolarHBondContact O-CD2 3.4Å; L373-F377 PolarHBondContact O-N 2.9Å; L373-F472 HydrophobicContact CD1-CD2 4.36Å; L373-F472 HydrophobicContact CD1-CE2 4.05Å
374I82.8Confident81.5Confident70 Ų7059.3 Ų59.336%0.35931%0.312SS..Hα-helixtrans-59.9-39.4177-68.8167.3000110.9L295 T364 L370 K371 I372 F377 K378L295-I374 HydrophobicContact CD2-CG2 4.44Å; T364-I374 HydrophobicContact CG2-CD1 3.89Å; L370-I374 WeakPolarHBondContact O-CG1 3.21Å; L370-I374 PolarHBondContact O-N 3.46Å; K371-I374 PolarHBondContact O-N 3.36Å; I372-I374 PolarHBondContact O-N 2.99Å; I374-F377 PolarHBondContact O-N 3.44Å; I374-K378 WeakPolarHBondContact O-CB 3.45Å; I374-K378 PolarHBondContact O-N 2.97Å
375L79.7Confident81.8Confident25 Ų2562.8 Ų62.813%0.13134%0.336CS..Hα-helixtrans-64.8-45.9177.5-177.771000111.9I114 V118 K371 I372 L373 F377 K378 A379 F475I114-L375 HydrophobicContact CG2-CD1 3.16Å; I114-L375 HydrophobicContact CG2-CD2 3.58Å; I114-L375 HydrophobicContact CG2-CG 3.73Å; V118-L375 HydrophobicContact CG2-CD1 4.37Å; V118-L375 HydrophobicContact CG2-CD2 4.14Å; K371-L375 WeakPolarHBondContact O-CB 3.32Å; K371-L375 PolarHBondContact O-N 3.35Å; I372-L375 WeakPolarHBondContact O-CB 3.38Å; I372-L375 PolarHBondContact O-N 2.97Å; L373-L375 VanDerWaalsContact C-N 3.26Å; L373-L375 PolarHBondContact O-N 3.31Å; L375-F377 VanDerWaalsContact C-N 3.34Å; L375-F377 PolarHBondContact O-N 2.89Å; L375-K378 PolarHBondContact O-N 3.34Å; L375-A379 PolarHBondContact O-N 3.5Å; L375-F475 HydrophobicContact CD2-CD1 4.4Å; L375-F475 HydrophobicContact CD2-CE1 4.31Å
376T82.5Confident82.1Confident4 Ų467.4 Ų67.43%0.02536%0.361CS..Hα-helixtrans-60.4-44.8176.4-57.70000110.7I372 L373 K378 A379 S380 F472 F475I372-T376 PolarHBondContact O-N 3.47Å; I372-T376 PolarHBondContact O-OG1 3.32Å; L373-T376 PolarHBondContact O-N 3.47Å; T376-K378 VanDerWaalsContact C-N 3.31Å; T376-K378 PolarHBondContact O-N 3.39Å; T376-A379 PolarHBondContact O-N 2.9Å; T376-S380 WeakPolarHBondContact O-CB 3.39Å; T376-S380 PolarHBondContact O-N 3.46Å; T376-S380 PolarHBondContact O-OG 2.92Å; T376-F472 HydrophobicContact CG2-CB 4.02Å; T376-F472 HydrophobicContact CG2-CD2 4.15Å; T376-F475 HydrophobicContact CG2-CD2 4.02Å
377F84Confident82.4Confident104 Ų10467 Ų6746%0.45636%0.36SS..Hα-helixtrans-61.4-39.7175.2-84.6-64.1000112.5L373 I374 L375 S380 A381L373-F377 HydrophobicContact CD1-CD2 4.06Å; L373-F377 HydrophobicContact CD1-CE2 3.58Å; L373-F377 HydrophobicContact CD1-CZ 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.12Å; L373-F377 HydrophobicContact CG-CD2 3.83Å; L373-F377 HydrophobicContact CG-CE2 3.62Å; L373-F377 VanDerWaalsContact O-CD2 3.22Å; L373-F377 WeakPolarHBondContact O-CD2 3.4Å; L373-F377 PolarHBondContact O-N 2.9Å; I374-F377 PolarHBondContact O-N 3.44Å; L375-F377 VanDerWaalsContact C-N 3.34Å; L375-F377 PolarHBondContact O-N 2.89Å; F377-S380 CarbonylContact O-C 3.55Å; F377-S380 PolarHBondContact O-N 3.26Å; F377-A381 PolarHBondContact O-N 2.99Å
378K85.2Confident82.7Confident168 Ų16867.2 Ų67.273%0.7336%0.361SS*.Hα-helixtrans-66.4-39177.2-175.3177.1177.3176.70112I374 L375 T376 A381I374-K378 WeakPolarHBondContact O-CB 3.45Å; I374-K378 PolarHBondContact O-N 2.97Å; L375-K378 PolarHBondContact O-N 3.34Å; T376-K378 VanDerWaalsContact C-N 3.31Å; T376-K378 PolarHBondContact O-N 3.39Å; K378-A381 WeakPolarHBondContact O-CB 3.47Å
379A81.2Confident83.6Confident43 Ų4369.8 Ų69.836%0.35536%0.363SS..Hα-helixtrans-67-41.2175.700000111.3L375 T376 A381 F475L375-A379 PolarHBondContact O-N 3.5Å; T376-A379 PolarHBondContact O-N 2.9Å; A379-A381 VanDerWaalsContact C-N 3.29Å; A379-A381 PolarHBondContact O-N 2.9Å; A379-F475 HydrophobicContact CB-CE2 3.85Å; A379-F475 HydrophobicContact CB-CZ 3.73Å
380S85Confident84.2Confident3 Ų372.8 Ų72.82%0.02137%0.365CS..THydrogen-bonded Turntrans-86.812.9-179.7-550000114.4T376 F377 K382 E383 F384 N471T376-S380 WeakPolarHBondContact O-CB 3.39Å; T376-S380 PolarHBondContact O-N 3.46Å; T376-S380 PolarHBondContact O-OG 2.92Å; F377-S380 CarbonylContact O-C 3.55Å; F377-S380 PolarHBondContact O-N 3.26Å; S380-K382 VanDerWaalsContact C-N 3.27Å; S380-K382 PolarHBondContact O-N 3.47Å; S380-E383 WeakPolarHBondContact CA-OE2 3.15Å; S380-E383 PolarHBondContact O-N 3.01Å; S380-F384 WeakPolarHBondContact O-CB 3.17Å; S380-F384 PolarHBondContact O-N 3.3Å; S380-N471 PolarHBondContact OG-ND2 2.94Å
381A86.9Confident84.6Confident49 Ų4971.9 Ų71.941%0.40536%0.36SS..Hα-helixtrans-66.9-29.3-172.700000112.6F377 K378 A379 S385F377-A381 PolarHBondContact O-N 2.99Å; K378-A381 WeakPolarHBondContact O-CB 3.47Å; A379-A381 VanDerWaalsContact C-N 3.29Å; A379-A381 PolarHBondContact O-N 2.9Å; A381-S385 WeakPolarHBondContact O-CB 3.45Å; A381-S385 PolarHBondContact O-N 2.83Å
382K86.1Confident85.4Confident177 Ų17772 Ų7277%0.7737%0.369SS*.Hα-helixtrans-69.8-43.6179.6-176.2-177.7176.3-175.10110.7S380 S385 L386S380-K382 VanDerWaalsContact C-N 3.27Å; S380-K382 PolarHBondContact O-N 3.47Å; K382-S385 PolarHBondContact O-N 3.29Å; K382-L386 PolarHBondContact O-N 3.45Å
383E85.5Confident86.2Confident70 Ų7074.2 Ų74.233%0.32738%0.384SS..Hα-helixtrans-65.8-42.7176.2-608616500110.3S380 S385 L386 L387 V467S380-E383 WeakPolarHBondContact CA-OE2 3.15Å; S380-E383 PolarHBondContact O-N 3.01Å; E383-S385 PolarHBondContact O-N 2.95Å; E383-L386 PolarHBondContact O-N 3.24Å; E383-L387 PolarHBondContact O-N 3.48Å; E383-V467 HydrophobicContact CB-CG1 4.48Å; E383-V467 HydrophobicContact CG-CG1 4.08Å
384F85Confident86.8Confident90 Ų9074.2 Ų74.240%0.39538%0.381SS..Hα-helixtrans-63.7-39175.7-174.1-109.1000113S380 L386 L387 I388S380-F384 WeakPolarHBondContact O-CB 3.17Å; S380-F384 PolarHBondContact O-N 3.3Å; F384-L386 VanDerWaalsContact C-N 3.29Å; F384-L386 PolarHBondContact O-N 2.65Å; F384-L387 HydrophobicContact CD2-CD2 4.35Å; F384-L387 HydrophobicContact CE2-CD2 4.48Å; F384-L387 WeakPolarHBondContact O-CB 3.35Å; F384-L387 PolarHBondContact O-N 2.75Å; F384-I388 HydrophobicContact CD1-CD1 3.71Å; F384-I388 HydrophobicContact CE1-CD1 3.17Å; F384-I388 HydrophobicContact CE1-CG1 4.15Å; F384-I388 HydrophobicContact CE2-CD1 4.37Å; F384-I388 HydrophobicContact CZ-CD1 3.55Å; F384-I388 HydrophobicContact CZ-CG1 4.16Å; F384-I388 PolarHBondContact O-N 3.32Å; F384-I388 VanDerWaalsContact O-N 3.11Å
385S87Confident87.3Confident78 Ų7871.7 Ų71.755%0.54537%0.368SS..Hα-helixtrans-62.9-36.4176.9-174.10000112.3A381 K382 E383 F389A381-S385 WeakPolarHBondContact O-CB 3.45Å; A381-S385 PolarHBondContact O-N 2.83Å; K382-S385 PolarHBondContact O-N 3.29Å; E383-S385 PolarHBondContact O-N 2.95Å; S385-F389 PolarHBondContact O-N 3.39Å
386L85.4Confident88.1Confident104 Ų10474.4 Ų74.455%0.54539%0.386SS..Hα-helixtrans-67.9-39.2176.3176.1155.9000111.3K382 E383 F384 F389 F390K382-L386 PolarHBondContact O-N 3.45Å; E383-L386 PolarHBondContact O-N 3.24Å; F384-L386 VanDerWaalsContact C-N 3.29Å; F384-L386 PolarHBondContact O-N 2.65Å; L386-F389 WeakPolarHBondContact O-CB 3.39Å; L386-F389 PolarHBondContact O-N 3.28Å; L386-F390 HydrophobicContact CD1-CE2 4.21Å; L386-F390 HydrophobicContact CD2-CD2 3.5Å; L386-F390 VanDerWaalsContact CD2-CD2 3.5Å; L386-F390 HydrophobicContact CD2-CE2 3.48Å; L386-F390 VanDerWaalsContact CD2-CE2 3.48Å; L386-F390 HydrophobicContact CG-CD2 3.91Å; L386-F390 HydrophobicContact CG-CE2 3.63Å; L386-F390 VanDerWaalsContact O-CD2 3.3Å; L386-F390 WeakPolarHBondContact O-CD2 3.44Å; L386-F390 PolarHBondContact O-N 3.44Å; L386-F390 VanDerWaalsContact O-N 3.12Å
387L85.2Confident88.8Confident27 Ų2778.1 Ų78.114%0.14141%0.405CS..Hα-helixtrans-59.5-53.2175.2163.958.5000111.7E383 F384 F389 F390 L391 P464E383-L387 PolarHBondContact O-N 3.48Å; F384-L387 HydrophobicContact CD2-CD2 4.35Å; F384-L387 HydrophobicContact CE2-CD2 4.48Å; F384-L387 WeakPolarHBondContact O-CB 3.35Å; F384-L387 PolarHBondContact O-N 2.75Å; L387-F389 PolarHBondContact O-N 3.1Å; L387-F390 PolarHBondContact O-N 3.22Å; L387-L391 HydrophobicContact CD1-CB 4.42Å; L387-L391 WeakPolarHBondContact O-CB 3.28Å; L387-L391 PolarHBondContact O-N 2.91Å; L387-P464 HydrophobicContact CB-CB 4.08Å; L387-P464 HydrophobicContact CB-CG 4.03Å; L387-P464 HydrophobicContact CD1-CB 4.5Å; L387-P464 HydrophobicContact CD1-CG 3.53Å; L387-P464 HydrophobicContact CD2-CB 4.07Å; L387-P464 HydrophobicContact CD2-CG 3.61Å; L387-P464 HydrophobicContact CG-CB 4.4Å; L387-P464 HydrophobicContact CG-CG 3.87Å
388I89.1Confident89.3Confident87 Ų8773.8 Ų73.845%0.44639%0.386SS..Hα-helixtrans-57.8-38-178.6-70.5171.7000110.3F384 A392F384-I388 HydrophobicContact CD1-CD1 3.71Å; F384-I388 HydrophobicContact CE1-CD1 3.17Å; F384-I388 HydrophobicContact CE1-CG1 4.15Å; F384-I388 HydrophobicContact CE2-CD1 4.37Å; F384-I388 HydrophobicContact CZ-CD1 3.55Å; F384-I388 HydrophobicContact CZ-CG1 4.16Å; F384-I388 PolarHBondContact O-N 3.32Å; F384-I388 VanDerWaalsContact O-N 3.11Å; I388-A392 VanDerWaalsContact O-CB 3.23Å; I388-A392 WeakPolarHBondContact O-CB 3.33Å; I388-A392 PolarHBondContact O-N 3.35Å
389F90.4Very high89.8Confident133 Ų13365.8 Ų65.858%0.58335%0.351SS*.Hα-helixtrans-62.4-52.6177.5179.2-99.6000112.6S385 L386 L387 L391 A392 V393S385-F389 PolarHBondContact O-N 3.39Å; L386-F389 WeakPolarHBondContact O-CB 3.39Å; L386-F389 PolarHBondContact O-N 3.28Å; L387-F389 PolarHBondContact O-N 3.1Å; F389-L391 PolarHBondContact O-N 3.49Å; F389-A392 PolarHBondContact O-N 3.42Å; F389-V393 HydrophobicContact CE1-CG2 4.48Å; F389-V393 HydrophobicContact CZ-CG2 4.37Å; F389-V393 WeakPolarHBondContact O-CG2 3.27Å; F389-V393 PolarHBondContact O-N 3.23Å
390F88.5Confident90.5Very high102 Ų10265.1 Ų65.145%0.44735%0.345SS..Hα-helixtrans-64.2-41.8178.7-76.5-62.4000112.5L386 L387 A392 V393 F394 T460L386-F390 HydrophobicContact CD1-CE2 4.21Å; L386-F390 HydrophobicContact CD2-CD2 3.5Å; L386-F390 VanDerWaalsContact CD2-CD2 3.5Å; L386-F390 HydrophobicContact CD2-CE2 3.48Å; L386-F390 VanDerWaalsContact CD2-CE2 3.48Å; L386-F390 HydrophobicContact CG-CD2 3.91Å; L386-F390 HydrophobicContact CG-CE2 3.63Å; L386-F390 VanDerWaalsContact O-CD2 3.3Å; L386-F390 WeakPolarHBondContact O-CD2 3.44Å; L386-F390 PolarHBondContact O-N 3.44Å; L386-F390 VanDerWaalsContact O-N 3.12Å; L387-F390 PolarHBondContact O-N 3.22Å; F390-A392 PolarHBondContact O-N 3.29Å; F390-V393 PolarHBondContact O-N 3.29Å; F390-F394 WeakPolarHBondContact O-CD2 3.32Å; F390-F394 PolarHBondContact O-N 3.35Å; F390-F394 VanDerWaalsContact O-N 3.11Å; F390-T460 HydrophobicContact CB-CG2 4.49Å
391L91.3Very high91Very high41 Ų4168.8 Ų68.822%0.21536%0.364CS..Hα-helixtrans-61.4-43.9177.5-173.2122.5000111.3L387 F389 V393 F394 I395 I461L387-L391 HydrophobicContact CD1-CB 4.42Å; L387-L391 WeakPolarHBondContact O-CB 3.28Å; L387-L391 PolarHBondContact O-N 2.91Å; F389-L391 PolarHBondContact O-N 3.49Å; L391-V393 PolarHBondContact O-N 2.98Å; L391-F394 PolarHBondContact O-N 3.5Å; L391-I395 HydrophobicContact CD2-CD1 3.35Å; L391-I395 HydrophobicContact CD2-CG1 4.48Å; L391-I395 HydrophobicContact CG-CD1 3.79Å; L391-I395 HydrophobicContact CG-CG1 4.45Å; L391-I395 WeakPolarHBondContact O-CB 3.39Å; L391-I395 WeakPolarHBondContact O-CD1 3.45Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 2.97Å; L391-I461 HydrophobicContact CD1-CD1 4.5Å; L391-I461 HydrophobicContact CD1-CG1 4.14Å
392A92.9Very high91.3Very high46 Ų4666.4 Ų66.438%0.3835%0.345SS..Hα-helixtrans-61.6-40.9177.100000112.8I388 F389 F390 I395 V396I388-A392 VanDerWaalsContact O-CB 3.23Å; I388-A392 WeakPolarHBondContact O-CB 3.33Å; I388-A392 PolarHBondContact O-N 3.35Å; F389-A392 PolarHBondContact O-N 3.42Å; F390-A392 PolarHBondContact O-N 3.29Å; A392-I395 PolarHBondContact O-N 2.64Å; A392-V396 WeakPolarHBondContact O-CG2 3.17Å; A392-V396 PolarHBondContact O-N 3.14Å; A392-V396 VanDerWaalsContact O-N 3.09Å
393V94.1Very high91.6Very high73 Ų7360.5 Ų60.544%0.44232%0.318SS..Hα-helixtrans-62.4-47.8177.21720000111.1F389 F390 L391 V396 L397F389-V393 HydrophobicContact CE1-CG2 4.48Å; F389-V393 HydrophobicContact CZ-CG2 4.37Å; F389-V393 WeakPolarHBondContact O-CG2 3.27Å; F389-V393 PolarHBondContact O-N 3.23Å; F390-V393 PolarHBondContact O-N 3.29Å; L391-V393 PolarHBondContact O-N 2.98Å; V393-V396 PolarHBondContact O-N 3.3Å; V393-L397 WeakPolarHBondContact O-CB 3.48Å; V393-L397 PolarHBondContact O-N 3.34Å
394F94.4Very high91.9Very high64 Ų6464.4 Ų64.428%0.28133%0.331SS..Hα-helixtrans-66-39.8178.7-74.6-58.2000112.5F390 L391 V396 L397 F398 M431 T456 T460F390-F394 WeakPolarHBondContact O-CD2 3.32Å; F390-F394 PolarHBondContact O-N 3.35Å; F390-F394 VanDerWaalsContact O-N 3.11Å; L391-F394 PolarHBondContact O-N 3.5Å; F394-V396 VanDerWaalsContact C-N 3.35Å; F394-V396 PolarHBondContact O-N 3.25Å; F394-L397 PolarHBondContact O-N 3.18Å; F394-F398 HydrophobicContact CB-CD2 4.34Å; F394-F398 HydrophobicContact CB-CE2 4.39Å; F394-F398 HydrophobicContact CD1-CE2 4.16Å; F394-F398 VanDerWaalsContact O-CD2 3.23Å; F394-F398 WeakPolarHBondContact O-CD2 3.37Å; F394-F398 PolarHBondContact O-N 3.35Å; F394-M431 HydrophobicContact CB-CE 3.56Å; F394-M431 HydrophobicContact CB-SD 3.94Å; F394-M431 HydrophobicContact CG-CE 4.4Å; F394-T456 HydrophobicContact CD1-CG2 3.85Å; F394-T456 HydrophobicContact CD2-CG2 4.45Å; F394-T456 HydrophobicContact CE1-CG2 3.84Å; F394-T456 HydrophobicContact CE2-CG2 4.44Å; F394-T456 HydrophobicContact CG-CG2 4.18Å; F394-T456 HydrophobicContact CZ-CG2 4.15Å; F394-T460 HydrophobicContact CD2-CG2 4.1Å; F394-T460 HydrophobicContact CE2-CG2 4.37Å
395I95.2Very high92.3Very high17 Ų1760.8 Ų60.89%0.08732%0.318CS..Hα-helixtrans-57.2-49.1175.7-73163.1000110.5L391 A392 L397 A399 L424 A427 I428 M431L391-I395 HydrophobicContact CD2-CD1 3.35Å; L391-I395 HydrophobicContact CD2-CG1 4.48Å; L391-I395 HydrophobicContact CG-CD1 3.79Å; L391-I395 HydrophobicContact CG-CG1 4.45Å; L391-I395 WeakPolarHBondContact O-CB 3.39Å; L391-I395 WeakPolarHBondContact O-CD1 3.45Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 2.97Å; A392-I395 PolarHBondContact O-N 2.64Å; I395-L397 PolarHBondContact O-N 3.35Å; I395-A399 WeakPolarHBondContact O-CB 3.18Å; I395-A399 PolarHBondContact O-N 3.04Å; I395-L424 HydrophobicContact CG2-CB 4.36Å; I395-L424 HydrophobicContact CG2-CD2 3.69Å; I395-A427 HydrophobicContact CG2-CB 4.21Å; I395-I428 HydrophobicContact CD1-CG1 3.68Å; I395-I428 HydrophobicContact CG1-CG1 4.1Å; I395-I428 HydrophobicContact CG2-CD1 4.5Å; I395-I428 HydrophobicContact CG2-CG1 3.93Å; I395-M431 HydrophobicContact CB-SD 4.45Å; I395-M431 HydrophobicContact CG1-SD 3.6Å
396V96.1Very high92.4Very high83 Ų8357.4 Ų57.450%0.50329%0.293SS..Hα-helixtrans-65-40.7-180174.10000111.3A392 V393 F394 A400 L424A392-V396 WeakPolarHBondContact O-CG2 3.17Å; A392-V396 PolarHBondContact O-N 3.14Å; A392-V396 VanDerWaalsContact O-N 3.09Å; V393-V396 PolarHBondContact O-N 3.3Å; F394-V396 VanDerWaalsContact C-N 3.35Å; F394-V396 PolarHBondContact O-N 3.25Å; V396-A400 PolarHBondContact O-N 3.33Å; V396-L424 HydrophobicContact CB-CD2 4.43Å; V396-L424 HydrophobicContact CG2-CD2 3.94Å
397L96.1Very high92.5Very high81 Ų8159.9 Ų59.942%0.42430%0.296SS..Hα-helixtrans-62.8-50.7178.9-178147.1000111.9V393 F394 I395 A400 L401V393-L397 WeakPolarHBondContact O-CB 3.48Å; V393-L397 PolarHBondContact O-N 3.34Å; F394-L397 PolarHBondContact O-N 3.18Å; I395-L397 PolarHBondContact O-N 3.35Å; L397-A400 PolarHBondContact O-N 2.88Å; L397-L401 HydrophobicContact CD2-CD1 3.61Å; L397-L401 HydrophobicContact CD2-CG 4.37Å; L397-L401 HydrophobicContact CG-CD1 4.49Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 2.92Å
398F95.7Very high92.3Very high13 Ų1365.7 Ų65.76%0.05733%0.326CS..Hα-helixtrans-70.4-32.8-179.8-74.3-65000112.5F394 A400 L401 I402 A427 M431 V449 M452 C453 T456F394-F398 HydrophobicContact CB-CD2 4.34Å; F394-F398 HydrophobicContact CB-CE2 4.39Å; F394-F398 HydrophobicContact CD1-CE2 4.16Å; F394-F398 VanDerWaalsContact O-CD2 3.23Å; F394-F398 WeakPolarHBondContact O-CD2 3.37Å; F394-F398 PolarHBondContact O-N 3.35Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 3.35Å; F398-L401 HydrophobicContact CD1-CD1 4.15Å; F398-L401 HydrophobicContact CE1-CD1 4.4Å; F398-L401 PolarHBondContact O-N 3.01Å; F398-I402 WeakPolarHBondContact O-CG2 3.41Å; F398-I402 PolarHBondContact O-N 2.81Å; F398-A427 HydrophobicContact CB-CB 4.42Å; F398-M431 HydrophobicContact CD2-SD 4.47Å; F398-V449 HydrophobicContact CD1-CG1 4.16Å; F398-M452 HydrophobicContact CE1-CB 4.13Å; F398-C453 HydrophobicContact CB-CB 4.29Å; F398-C453 HydrophobicContact CD1-CB 3.71Å; F398-C453 HydrophobicContact CD2-CB 4.18Å; F398-C453 HydrophobicContact CE1-CB 4.04Å; F398-C453 HydrophobicContact CE2-CB 4.48Å; F398-C453 HydrophobicContact CG-CB 3.81Å; F398-C453 HydrophobicContact CZ-CB 4.42Å; F398-T456 HydrophobicContact CE2-CG2 3.81Å; F398-T456 HydrophobicContact CZ-CG2 4.15Å
399A95.7Very high91.8Very high0 Ų062.7 Ų62.70%031%0.313CS..Hα-helixtrans-62.6-38.9172.200000112.6I395 I402 Y403 I420 L424 A427I395-A399 WeakPolarHBondContact O-CB 3.18Å; I395-A399 PolarHBondContact O-N 3.04Å; A399-I402 WeakPolarHBondContact O-CG2 3.23Å; A399-Y403 VanDerWaalsContact O-CB 3.32Å; A399-Y403 WeakPolarHBondContact O-CB 3.27Å; A399-Y403 PolarHBondContact O-N 3.35Å; A399-I420 HydrophobicContact CB-CG2 4.35Å; A399-L424 HydrophobicContact CB-CB 4.46Å; A399-L424 HydrophobicContact CB-CD2 3.55Å; A399-L424 HydrophobicContact CB-CG 4.01Å; A399-A427 HydrophobicContact CB-CB 4.32Å
400A95.2Very high90.5Very high29 Ų2963.8 Ų63.824%0.2433%0.325CS..Hα-helixtrans-69.1-45174.100000111.6V396 L397 F398 I402 Y403 Y404V396-A400 PolarHBondContact O-N 3.33Å; L397-A400 PolarHBondContact O-N 2.88Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 3.35Å; A400-I402 PolarHBondContact O-N 3.47Å; A400-Y403 PolarHBondContact O-N 3.49Å; A400-Y404 WeakPolarHBondContact O-CD2 3.33Å; A400-Y404 PolarHBondContact O-N 3.23Å
401L94.5Very high89.2Confident80 Ų8064.7 Ų64.742%0.41934%0.338SS..Hα-helixtrans-60.8-44.9179.5-73.6177.4000112.3L397 F398 Y404 A405 V449L397-L401 HydrophobicContact CD2-CD1 3.61Å; L397-L401 HydrophobicContact CD2-CG 4.37Å; L397-L401 HydrophobicContact CG-CD1 4.49Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 2.92Å; F398-L401 HydrophobicContact CD1-CD1 4.15Å; F398-L401 HydrophobicContact CE1-CD1 4.4Å; F398-L401 PolarHBondContact O-N 3.01Å; L401-Y404 PolarHBondContact O-N 3.31Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.31Å; L401-A405 PolarHBondContact O-N 3.41Å; L401-V449 HydrophobicContact CB-CG1 3.78Å; L401-V449 HydrophobicContact CB-CG2 4.23Å
402I93.7Very high87.9Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-67.7-39-180-162.964.9000111.7F398 A399 A400 Y404 A405 E406 F417 W426 P441 V449F398-I402 WeakPolarHBondContact O-CG2 3.41Å; F398-I402 PolarHBondContact O-N 2.81Å; A399-I402 WeakPolarHBondContact O-CG2 3.23Å; A400-I402 PolarHBondContact O-N 3.47Å; I402-Y404 PolarHBondContact O-N 3.03Å; I402-A405 PolarHBondContact O-N 3.04Å; I402-E406 HydrophobicContact CD1-CG 4.42Å; I402-E406 HydrophobicContact CG1-CG 4.47Å; I402-E406 PolarHBondContact O-N 3.11Å; I402-F417 HydrophobicContact CB-CE1 4.46Å; I402-F417 HydrophobicContact CG1-CD1 4.07Å; I402-F417 HydrophobicContact CG1-CD2 4.42Å; I402-F417 HydrophobicContact CG1-CE1 3.71Å; I402-F417 HydrophobicContact CG1-CE2 4.09Å; I402-F417 HydrophobicContact CG1-CG 4.4Å; I402-F417 HydrophobicContact CG1-CZ 3.72Å; I402-F417 HydrophobicContact CG2-CD1 3.83Å; I402-F417 HydrophobicContact CG2-CE1 3.85Å; I402-W426 HydrophobicContact CB-CE3 4.07Å; I402-W426 HydrophobicContact CB-CH2 4.11Å; I402-W426 HydrophobicContact CB-CZ3 3.61Å; I402-W426 HydrophobicContact CD1-CH2 3.82Å; I402-W426 HydrophobicContact CD1-CZ2 4.21Å; I402-W426 HydrophobicContact CD1-CZ3 4.21Å; I402-W426 HydrophobicContact CG1-CD2 4.5Å; I402-W426 HydrophobicContact CG1-CE3 4.09Å; I402-W426 HydrophobicContact CG1-CH2 3.87Å; I402-W426 HydrophobicContact CG1-CZ2 4.31Å; I402-W426 HydrophobicContact CG1-CZ3 3.76Å; I402-W426 HydrophobicContact CG2-CE3 3.71Å; I402-W426 HydrophobicContact CG2-CZ3 3.74Å; I402-P441 HydrophobicContact CD1-CB 3.69Å; I402-P441 HydrophobicContact CD1-CG 4.38Å; I402-V449 HydrophobicContact CB-CG1 4.31Å; I402-V449 HydrophobicContact CD1-CB 4.35Å; I402-V449 HydrophobicContact CD1-CG1 4.27Å
403Y93Very high86.6Confident53 Ų5370.1 Ų70.121%0.20837%0.367CS..Hα-helixtrans-58.3-48.6175.4172.7-102.5000111.2A399 A400 R407 I420A399-Y403 VanDerWaalsContact O-CB 3.32Å; A399-Y403 WeakPolarHBondContact O-CB 3.27Å; A399-Y403 PolarHBondContact O-N 3.35Å; A400-Y403 PolarHBondContact O-N 3.49Å; Y403-R407 WeakPolarHBondContact O-CB 3.32Å; Y403-R407 PolarHBondContact O-N 3.39Å; Y403-I420 HydrophobicContact CD1-CG1 4.02Å; Y403-I420 HydrophobicContact CE1-CG1 4.48Å; Y403-I420 HydrophobicContact CG-CG1 4.05Å
404Y92.6Very high85.7Confident152 Ų15274.3 Ų74.360%0.59638%0.375SS*.Hα-helixtrans-70.1-36.9178.1-73.9-64.2000113.1A400 L401 I402 R407 L408A400-Y404 WeakPolarHBondContact O-CD2 3.33Å; A400-Y404 PolarHBondContact O-N 3.23Å; L401-Y404 PolarHBondContact O-N 3.31Å; I402-Y404 PolarHBondContact O-N 3.03Å; Y404-R407 PolarHBondContact O-N 3.04Å; Y404-L408 WeakPolarHBondContact O-CB 3.29Å; Y404-L408 PolarHBondContact O-N 3.03Å
405A92Very high85Confident14 Ų1473.6 Ų73.612%0.11637%0.374CS..Hα-helixtrans-64.2-45179.100000112.4L401 I402 S409 A445 V449L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.31Å; L401-A405 PolarHBondContact O-N 3.41Å; I402-A405 PolarHBondContact O-N 3.04Å; A405-S409 PolarHBondContact O-N 3.23Å; A405-S409 PolarHBondContact O-OG 3.27Å; A405-A445 HydrophobicContact CB-CB 4.05Å; A405-V449 HydrophobicContact CB-CG2 4.47Å
406E89.4Confident84.5Confident6 Ų674.5 Ų74.53%0.02838%0.379CS..Hα-helixtrans-75-35.3177.3-70.5-66149.700111.7I402 L408 S409 N412 F417 P441 R442 S443I402-E406 HydrophobicContact CD1-CG 4.42Å; I402-E406 HydrophobicContact CG1-CG 4.47Å; I402-E406 PolarHBondContact O-N 3.11Å; E406-L408 VanDerWaalsContact C-N 3.35Å; E406-L408 PolarHBondContact O-N 3.28Å; E406-S409 PolarHBondContact O-N 2.97Å; E406-N412 PolarHBondContact OE2-ND2 3.04Å; E406-F417 HydrophobicContact CB-CB 4.42Å; E406-F417 HydrophobicContact CB-CD2 4.22Å; E406-F417 HydrophobicContact CG-CD2 3.66Å; E406-F417 HydrophobicContact CG-CE2 4.1Å; E406-F417 HydrophobicContact CG-CG 4.4Å; E406-P441 VanDerWaalsContact OE1-CA 3.28Å; E406-P441 WeakPolarHBondContact OE1-CA 3.42Å; E406-P441 WeakPolarHBondContact OE1-CB 3.21Å; E406-R442 PolarHBondContact OE1-N 2.87Å; E406-S443 VanDerWaalsContact OE1-CB 3.3Å; E406-S443 WeakPolarHBondContact OE1-CB 3.31Å; E406-S443 PolarHBondContact OE1-N 3.02Å
407R86.6Confident84.1Confident157 Ų15770.6 Ų70.659%0.59236%0.356SS*.Hα-helixtrans-64.5-37.3176.6-176.561.9173.6-176.41.6113Y403 Y404 S409Y403-R407 WeakPolarHBondContact O-CB 3.32Å; Y403-R407 PolarHBondContact O-N 3.39Å; Y404-R407 PolarHBondContact O-N 3.04Å; R407-S409 VanDerWaalsContact C-N 3.27Å
408L81.1Confident83.7Confident149 Ų14971.7 Ų71.778%0.7837%0.366SS*.Hα-helixtrans-74.5-21.8179.5-168.562.1000112.3Y404 E406 N410Y404-L408 WeakPolarHBondContact O-CB 3.29Å; Y404-L408 PolarHBondContact O-N 3.03Å; E406-L408 VanDerWaalsContact C-N 3.35Å; E406-L408 PolarHBondContact O-N 3.28Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.19Å
409S78.9Confident83.5Confident24 Ų2473.2 Ų73.217%0.16838%0.378CS..  trans-87.471.1-177.5-55.10000110.3A405 E406 R407 T411 N412 S443A405-S409 PolarHBondContact O-N 3.23Å; A405-S409 PolarHBondContact O-OG 3.27Å; E406-S409 PolarHBondContact O-N 2.97Å; R407-S409 VanDerWaalsContact C-N 3.27Å; S409-T411 PolarHBondContact O-N 3Å; S409-N412 PolarHBondContact O-N 3.21Å; S409-S443 WeakPolarHBondContact CB-OG 3.42Å; S409-S443 WeakPolarHBondContact OG-CB 3.44Å; S409-S443 PolarHBondContact OG-OG 2.92Å
410N63.5Low83.3Confident156 Ų15676.4 Ų76.483%0.83439%0.394SS*.THydrogen-bonded Turntrans-60.67-179.3-90.6-17.7000115.3L408L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.19Å
411T61Low83.3Confident120 Ų12079.3 Ų79.374%0.73641%0.411SS*.THydrogen-bonded Turntrans-87.7-9179.753.70000113.7S409S409-T411 PolarHBondContact O-N 3Å
412N63.7Low83.2Confident47 Ų4778.6 Ų78.625%0.25141%0.407SS..  trans-105108.8-170-65.7-22.6000112.2E406 S409 R414E406-N412 PolarHBondContact OE2-ND2 3.04Å; S409-N412 PolarHBondContact O-N 3.21Å; N412-R414 PolarHBondContact O-N 3.42Å; N412-R414 VanDerWaalsContact O-N 3.16Å
413T66.8Low83.2Confident155 Ų15578.6 Ų78.695%0.95141%0.407SS*.SBendtrans-62.5-19.6177.2-460000113.4
414R74.5Confident83.3Confident160 Ų16078.5 Ų78.560%0.60441%0.409SS*.  trans-125.389.5179.3-176.7170.2172.9149.1-1.4110.4N412 D416N412-R414 PolarHBondContact O-N 3.42Å; N412-R414 VanDerWaalsContact O-N 3.16Å; R414-D416 IonicContact NE-OD1 3.51Å
415N80Confident83.4Confident49 Ų4976.3 Ų76.326%0.26240%0.4SS..  trans-92.6112.7172.2-177.74.1000109.7F417N415-F417 VanDerWaalsContact C-N 3.33Å; N415-F417 WeakPolarHBondContact OD1-CA 3.34Å; N415-F417 PolarHBondContact OD1-N 2.88Å
416D84.9Confident83.5Confident37 Ų3776.2 Ų76.220%0.19840%0.397CS..SBendtrans-80.1-17.2178.2-58.7-39.8000111.7R414 T418 M439 R442R414-D416 IonicContact NE-OD1 3.51Å; D416-T418 PolarHBondContact O-N 3.41Å; D416-M439 HydrophobicContact CB-CE 4.39Å; D416-M439 HydrophobicContact CB-CG 4.44Å; D416-M439 WeakPolarHBondContact O-CE 3.48Å; D416-R442 IonicContact OD2-NH2 3.92Å
417F88Confident83.8Confident1 Ų175.9 Ų75.90%0.00440%0.395CS..  trans-96.371.3-176.4-59.9-88.2000112.5I402 E406 N415 W426 M439I402-F417 HydrophobicContact CB-CE1 4.46Å; I402-F417 HydrophobicContact CG1-CD1 4.07Å; I402-F417 HydrophobicContact CG1-CD2 4.42Å; I402-F417 HydrophobicContact CG1-CE1 3.71Å; I402-F417 HydrophobicContact CG1-CE2 4.09Å; I402-F417 HydrophobicContact CG1-CG 4.4Å; I402-F417 HydrophobicContact CG1-CZ 3.72Å; I402-F417 HydrophobicContact CG2-CD1 3.83Å; I402-F417 HydrophobicContact CG2-CE1 3.85Å; E406-F417 HydrophobicContact CB-CB 4.42Å; E406-F417 HydrophobicContact CB-CD2 4.22Å; E406-F417 HydrophobicContact CG-CD2 3.66Å; E406-F417 HydrophobicContact CG-CE2 4.1Å; E406-F417 HydrophobicContact CG-CG 4.4Å; N415-F417 VanDerWaalsContact C-N 3.33Å; N415-F417 WeakPolarHBondContact OD1-CA 3.34Å; N415-F417 PolarHBondContact OD1-N 2.88Å; F417-W426 HydrophobicContact CE1-CB 3.72Å; F417-W426 AromaticContact CE1-CD2 3.77Å; F417-W426 HydrophobicContact CE1-CD2 3.77Å; F417-W426 HydrophobicContact CE1-CE3 4.16Å; F417-W426 AromaticContact CE1-CG 3.56Å; F417-W426 HydrophobicContact CE1-CG 3.56Å; F417-W426 HydrophobicContact CZ-CB 4.35Å; F417-W426 AromaticContact CZ-CD1 3.86Å; F417-W426 AromaticContact CZ-CD2 3.94Å; F417-W426 HydrophobicContact CZ-CD2 3.94Å; F417-W426 AromaticContact CZ-CG 3.79Å; F417-W426 HydrophobicContact CZ-CG 3.79Å; F417-M439 HydrophobicContact CD1-CE 3.64Å; F417-M439 HydrophobicContact CE1-CE 3.72Å; F417-M439 HydrophobicContact CG-CE 4.17Å; F417-M439 HydrophobicContact CZ-CB 4.38Å; F417-M439 HydrophobicContact CZ-CE 4.3Å
418T87.1Confident84.2Confident103 Ų10371.9 Ų71.963%0.63239%0.385SS*.  trans-74.9-27.5-177.6580000114.3D416D416-T418 PolarHBondContact O-N 3.41Å
419S91Very high84.9Confident46 Ų4665.1 Ų65.132%0.32235%0.35SS..SBendtrans-148.6159.3-174.464.50000111.9I422 G423S419-I422 WeakPolarHBondContact O-CG2 3.42Å; S419-I422 PolarHBondContact O-N 3.44Å; S419-G423 PolarHBondContact O-N 2.96Å
420I92.8Very high85.7Confident67 Ų6765.1 Ų65.134%0.34435%0.349SS..Hα-helixtrans-61.6-42178.6-59.6171.2000111.8A399 Y403 I422 G423 L424A399-I420 HydrophobicContact CB-CG2 4.35Å; Y403-I420 HydrophobicContact CD1-CG1 4.02Å; Y403-I420 HydrophobicContact CE1-CG1 4.48Å; Y403-I420 HydrophobicContact CG-CG1 4.05Å; I420-I422 VanDerWaalsContact C-N 3.34Å; I420-I422 PolarHBondContact O-N 2.96Å; I420-G423 CarbonylContact O-C 3.46Å; I420-G423 VanDerWaalsContact O-CA 3.32Å; I420-G423 WeakPolarHBondContact O-CA 3.31Å; I420-G423 PolarHBondContact O-N 2.91Å; I420-L424 PolarHBondContact O-N 3.26Å
421P94Very high87.1Confident89 Ų8957.8 Ų57.858%0.57831%0.309SS*.Hα-helixtrans-61.9-34.7178.2-26.136.6000114.8G423 L424 W425P421-G423 VanDerWaalsContact C-N 3.29Å; P421-L424 WeakPolarHBondContact O-CB 3.43Å; P421-L424 PolarHBondContact O-N 3.44Å; P421-W425 PolarHBondContact O-N 2.99Å
422I92.6Very high88.6Confident65 Ų6554.7 Ų54.733%0.33329%0.291SS..Hα-helixtrans-69.3-33.3173.2-156.679.4000110.7S419 I420 L424 W425 W426 M439S419-I422 WeakPolarHBondContact O-CG2 3.42Å; S419-I422 PolarHBondContact O-N 3.44Å; I420-I422 VanDerWaalsContact C-N 3.34Å; I420-I422 PolarHBondContact O-N 2.96Å; I422-L424 VanDerWaalsContact C-N 3.33Å; I422-L424 PolarHBondContact O-N 3.49Å; I422-W425 WeakPolarHBondContact O-CB 3.34Å; I422-W425 PolarHBondContact O-N 3.46Å; I422-W426 PolarHBondContact O-N 2.92Å; I422-M439 HydrophobicContact CB-CE 4.33Å; I422-M439 HydrophobicContact CD1-SD 4.39Å; I422-M439 HydrophobicContact CG1-CE 3.64Å; I422-M439 HydrophobicContact CG1-SD 3.64Å; I422-M439 HydrophobicContact CG2-CE 4.05Å
423G92.9Very high90.1Very high0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-65.1-30.6169.300000114S419 I420 P421 W425 W426 A427S419-G423 PolarHBondContact O-N 2.96Å; I420-G423 CarbonylContact O-C 3.46Å; I420-G423 VanDerWaalsContact O-CA 3.32Å; I420-G423 WeakPolarHBondContact O-CA 3.31Å; I420-G423 PolarHBondContact O-N 2.91Å; P421-G423 VanDerWaalsContact C-N 3.29Å; G423-W425 VanDerWaalsContact C-N 3.34Å; G423-W426 PolarHBondContact O-N 3.13Å; G423-A427 WeakPolarHBondContact O-CB 3.26Å; G423-A427 PolarHBondContact O-N 3.31Å
424L95.1Very high91.5Very high51 Ų5153.3 Ų53.327%0.26728%0.284SS..Hα-helixtrans-62.7-41.1174.3-64.8172.2000111.2I395 V396 A399 I420 P421 I422 A427 I428I395-L424 HydrophobicContact CG2-CB 4.36Å; I395-L424 HydrophobicContact CG2-CD2 3.69Å; V396-L424 HydrophobicContact CB-CD2 4.43Å; V396-L424 HydrophobicContact CG2-CD2 3.94Å; A399-L424 HydrophobicContact CB-CB 4.46Å; A399-L424 HydrophobicContact CB-CD2 3.55Å; A399-L424 HydrophobicContact CB-CG 4.01Å; I420-L424 PolarHBondContact O-N 3.26Å; P421-L424 WeakPolarHBondContact O-CB 3.43Å; P421-L424 PolarHBondContact O-N 3.44Å; I422-L424 VanDerWaalsContact C-N 3.33Å; I422-L424 PolarHBondContact O-N 3.49Å; L424-A427 PolarHBondContact O-N 2.71Å; L424-I428 WeakPolarHBondContact O-CD1 3.35Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 3.19Å
425W95.3Very high92.5Very high106 Ų10648.1 Ų48.140%0.40228%0.28SS..Hα-helixtrans-59.1-50.3175.5168.2-111000111.4P421 I422 G423 A427 I428 V429 Y436 D438P421-W425 PolarHBondContact O-N 2.99Å; I422-W425 WeakPolarHBondContact O-CB 3.34Å; I422-W425 PolarHBondContact O-N 3.46Å; G423-W425 VanDerWaalsContact C-N 3.34Å; W425-A427 PolarHBondContact O-N 2.89Å; W425-I428 PolarHBondContact O-N 3.48Å; W425-V429 HydrophobicContact CD2-CG2 4.04Å; W425-V429 HydrophobicContact CE3-CG2 4.19Å; W425-V429 HydrophobicContact CH2-CG2 3.93Å; W425-V429 HydrophobicContact CZ2-CG2 3.74Å; W425-V429 HydrophobicContact CZ3-CG2 4.14Å; W425-V429 WeakPolarHBondContact O-CG2 3.4Å; W425-V429 PolarHBondContact O-N 3.44Å; W425-V429 VanDerWaalsContact O-N 3.09Å; W425-Y436 HydrophobicContact CH2-CD2 4.28Å; W425-Y436 AromaticContact CH2-CE2 3.79Å; W425-Y436 HydrophobicContact CH2-CE2 3.79Å; W425-Y436 AromaticContact CZ2-CD2 3.77Å; W425-Y436 HydrophobicContact CZ2-CD2 3.77Å; W425-Y436 AromaticContact CZ2-CE2 3.76Å; W425-Y436 HydrophobicContact CZ2-CE2 3.76Å; W425-D438 PolarHBondContact NE1-OD2 3Å
426W95.3Very high93.1Very high12 Ų1253.4 Ų53.45%0.04530%0.297CS..Hα-helixtrans-58.5-46.3175.317383.4000112I402 F417 I422 G423 I428 V429 T430 M439 P441 C453I402-W426 HydrophobicContact CB-CE3 4.07Å; I402-W426 HydrophobicContact CB-CH2 4.11Å; I402-W426 HydrophobicContact CB-CZ3 3.61Å; I402-W426 HydrophobicContact CD1-CH2 3.82Å; I402-W426 HydrophobicContact CD1-CZ2 4.21Å; I402-W426 HydrophobicContact CD1-CZ3 4.21Å; I402-W426 HydrophobicContact CG1-CD2 4.5Å; I402-W426 HydrophobicContact CG1-CE3 4.09Å; I402-W426 HydrophobicContact CG1-CH2 3.87Å; I402-W426 HydrophobicContact CG1-CZ2 4.31Å; I402-W426 HydrophobicContact CG1-CZ3 3.76Å; I402-W426 HydrophobicContact CG2-CE3 3.71Å; I402-W426 HydrophobicContact CG2-CZ3 3.74Å; F417-W426 HydrophobicContact CE1-CB 3.72Å; F417-W426 AromaticContact CE1-CD2 3.77Å; F417-W426 HydrophobicContact CE1-CD2 3.77Å; F417-W426 HydrophobicContact CE1-CE3 4.16Å; F417-W426 AromaticContact CE1-CG 3.56Å; F417-W426 HydrophobicContact CE1-CG 3.56Å; F417-W426 HydrophobicContact CZ-CB 4.35Å; F417-W426 AromaticContact CZ-CD1 3.86Å; F417-W426 AromaticContact CZ-CD2 3.94Å; F417-W426 HydrophobicContact CZ-CD2 3.94Å; F417-W426 AromaticContact CZ-CG 3.79Å; F417-W426 HydrophobicContact CZ-CG 3.79Å; I422-W426 PolarHBondContact O-N 2.92Å; G423-W426 PolarHBondContact O-N 3.13Å; W426-I428 VanDerWaalsContact C-N 3.33Å; W426-I428 PolarHBondContact O-N 3.04Å; W426-V429 PolarHBondContact O-N 3.39Å; W426-T430 PolarHBondContact NE1-OG1 3.49Å; W426-T430 WeakPolarHBondContact O-CB 3.49Å; W426-T430 PolarHBondContact O-N 3.38Å; W426-T430 PolarHBondContact O-OG1 3.33Å; W426-T430 VanDerWaalsContact O-OG1 3.08Å; W426-M439 HydrophobicContact CB-CB 4.48Å; W426-M439 HydrophobicContact CB-SD 4.5Å; W426-M439 VanDerWaalsContact CD1-O 3.23Å; W426-P441 HydrophobicContact CZ2-CG 4.18Å; W426-C453 HydrophobicContact CH2-CB 4.4Å
427A95.3Very high93.5Very high0 Ų054 Ų540%031%0.313CS..Hα-helixtrans-61.4-39.8179.900000112.2I395 F398 A399 G423 L424 W425 M431I395-A427 HydrophobicContact CG2-CB 4.21Å; F398-A427 HydrophobicContact CB-CB 4.42Å; A399-A427 HydrophobicContact CB-CB 4.32Å; G423-A427 WeakPolarHBondContact O-CB 3.26Å; G423-A427 PolarHBondContact O-N 3.31Å; L424-A427 PolarHBondContact O-N 2.71Å; W425-A427 PolarHBondContact O-N 2.89Å; A427-M431 VanDerWaalsContact O-CB 3.23Å; A427-M431 WeakPolarHBondContact O-CB 3.49Å; A427-M431 VanDerWaalsContact O-CG 3.22Å; A427-M431 WeakPolarHBondContact O-CG 3.32Å; A427-M431 PolarHBondContact O-N 2.92Å
428I94.6Very high93.7Very high72 Ų7258 Ų5837%0.36934%0.335SS..Hα-helixtrans-60.5-53.6174.3-69.8161.5000110.2I395 L424 W425 W426 T430 M431 T432I395-I428 HydrophobicContact CD1-CG1 3.68Å; I395-I428 HydrophobicContact CG1-CG1 4.1Å; I395-I428 HydrophobicContact CG2-CD1 4.5Å; I395-I428 HydrophobicContact CG2-CG1 3.93Å; L424-I428 WeakPolarHBondContact O-CD1 3.35Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 3.19Å; W425-I428 PolarHBondContact O-N 3.48Å; W426-I428 VanDerWaalsContact C-N 3.33Å; W426-I428 PolarHBondContact O-N 3.04Å; I428-T430 VanDerWaalsContact C-N 3.32Å; I428-T430 PolarHBondContact O-N 2.99Å; I428-M431 PolarHBondContact O-N 2.72Å; I428-T432 WeakPolarHBondContact O-CG2 3.38Å; I428-T432 PolarHBondContact O-N 3.5Å; I428-T432 PolarHBondContact O-OG1 3.29Å
429V95.5Very high93.9Very high8 Ų853.9 Ų53.95%0.04831%0.308CS..Hα-helixtrans-62.9-37.3-176.2171.20000112W425 W426 T432 T433 V434 G435 Y436W425-V429 HydrophobicContact CD2-CG2 4.04Å; W425-V429 HydrophobicContact CE3-CG2 4.19Å; W425-V429 HydrophobicContact CH2-CG2 3.93Å; W425-V429 HydrophobicContact CZ2-CG2 3.74Å; W425-V429 HydrophobicContact CZ3-CG2 4.14Å; W425-V429 WeakPolarHBondContact O-CG2 3.4Å; W425-V429 PolarHBondContact O-N 3.44Å; W425-V429 VanDerWaalsContact O-N 3.09Å; W426-V429 PolarHBondContact O-N 3.39Å; V429-T432 PolarHBondContact O-OG1 3.49Å; V429-T433 PolarHBondContact O-N 3.48Å; V429-V434 HydrophobicContact CG1-CB 4.17Å; V429-V434 HydrophobicContact CG1-CG1 4.38Å; V429-V434 PolarHBondContact O-N 2.92Å; V429-G435 VanDerWaalsContact CG1-N 3.29Å; V429-G435 PolarHBondContact O-N 2.83Å; V429-Y436 HydrophobicContact CB-CD2 4.45Å; V429-Y436 HydrophobicContact CG1-CD2 3.72Å; V429-Y436 HydrophobicContact CG1-CE2 4.38Å; V429-Y436 HydrophobicContact CG1-CG 4.31Å; V429-Y436 HydrophobicContact CG2-CD2 3.78Å; V429-Y436 HydrophobicContact CG2-CE2 3.94Å
430T95.4Very high93.9Very high24 Ų2454.7 Ų54.715%0.14731%0.311CS..Hα-helixtrans-73.8-44176.5-59.50000112W426 I428 T432 T433 C453 A454W426-T430 PolarHBondContact NE1-OG1 3.49Å; W426-T430 WeakPolarHBondContact O-CB 3.49Å; W426-T430 PolarHBondContact O-N 3.38Å; W426-T430 PolarHBondContact O-OG1 3.33Å; W426-T430 VanDerWaalsContact O-OG1 3.08Å; I428-T430 VanDerWaalsContact C-N 3.32Å; I428-T430 PolarHBondContact O-N 2.99Å; T430-T432 VanDerWaalsContact C-N 3.34Å; T430-T432 PolarHBondContact O-N 3.24Å; T430-T433 PolarHBondContact O-N 3.07Å; T430-C453 HydrophobicContact CG2-CB 4.25Å; T430-A454 HydrophobicContact CG2-CB 4.25Å
431M93.5Very high93.9Very high1 Ų152.7 Ų52.71%0.00530%0.302CS..Hα-helixtrans-65.9-35.4179.2-77.4-173.371.200112.7F394 I395 F398 A427 I428 T433 G457 I461F394-M431 HydrophobicContact CB-CE 3.56Å; F394-M431 HydrophobicContact CB-SD 3.94Å; F394-M431 HydrophobicContact CG-CE 4.4Å; I395-M431 HydrophobicContact CB-SD 4.45Å; I395-M431 HydrophobicContact CG1-SD 3.6Å; F398-M431 HydrophobicContact CD2-SD 4.47Å; A427-M431 VanDerWaalsContact O-CB 3.23Å; A427-M431 WeakPolarHBondContact O-CB 3.49Å; A427-M431 VanDerWaalsContact O-CG 3.22Å; A427-M431 WeakPolarHBondContact O-CG 3.32Å; A427-M431 PolarHBondContact O-N 2.92Å; I428-M431 PolarHBondContact O-N 2.72Å; M431-T433 PolarHBondContact O-N 3.41Å; M431-G457 CarbonylContact O-C 3.54Å; M431-I461 WeakPolarHBondContact O-CD1 3.37Å
432T93.4Very high93.6Very high56 Ų5653.6 Ų53.634%0.34429%0.294SS..THydrogen-bonded Turntrans-82.97.8174.461.80000113.2I428 V429 T430 V434 I461I428-T432 WeakPolarHBondContact O-CG2 3.38Å; I428-T432 PolarHBondContact O-N 3.5Å; I428-T432 PolarHBondContact O-OG1 3.29Å; V429-T432 PolarHBondContact O-OG1 3.49Å; T430-T432 VanDerWaalsContact C-N 3.34Å; T430-T432 PolarHBondContact O-N 3.24Å; T432-V434 PolarHBondContact O-N 3.34Å; T432-V434 WeakPolarHBondContact OG1-CG2 3.48Å; T432-I461 HydrophobicContact CG2-CD1 4.25Å
433T95.2Very high93.5Very high97 Ų9751 Ų5160%0.59528%0.282SS*.THydrogen-bonded Turntrans52.127.5-179.368.90000114.3V429 T430 M431 V458V429-T433 PolarHBondContact O-N 3.48Å; T430-T433 PolarHBondContact O-N 3.07Å; M431-T433 PolarHBondContact O-N 3.41Å; T433-V458 HydrophobicContact CG2-CG2 3.48Å; T433-V458 VanDerWaalsContact CG2-CG2 3.48Å
434V95.8Very high93.4Very high75 Ų7560.6 Ų60.646%0.45532%0.32SS..  trans-78-47.6178.3171.30000109.6V429 T432 Y436V429-V434 HydrophobicContact CG1-CB 4.17Å; V429-V434 HydrophobicContact CG1-CG1 4.38Å; V429-V434 PolarHBondContact O-N 2.92Å; T432-V434 PolarHBondContact O-N 3.34Å; T432-V434 WeakPolarHBondContact OG1-CG2 3.48Å; V434-Y436 HydrophobicContact CG1-CD1 3.95Å; V434-Y436 HydrophobicContact CG1-CD2 4.1Å; V434-Y436 HydrophobicContact CG1-CE1 3.6Å; V434-Y436 HydrophobicContact CG1-CE2 3.76Å; V434-Y436 HydrophobicContact CG1-CG 4.18Å
435G94Very high93.2Very high52 Ų5260.3 Ų60.354%0.53633%0.325SS..  trans57.656.6170.600000115.2V429 G437V429-G435 VanDerWaalsContact CG1-N 3.29Å; V429-G435 PolarHBondContact O-N 2.83Å; G435-G437 PolarHBondContact O-N 3.02Å; G435-G437 VanDerWaalsContact O-N 3.16Å
436Y94.5Very high93.1Very high159 Ų15955.3 Ų55.362%0.62431%0.306SS*.  trans-56.1-31.5178.8-67.4-58.4000114.1W425 V429 V434 D438W425-Y436 HydrophobicContact CH2-CD2 4.28Å; W425-Y436 AromaticContact CH2-CE2 3.79Å; W425-Y436 HydrophobicContact CH2-CE2 3.79Å; W425-Y436 AromaticContact CZ2-CD2 3.77Å; W425-Y436 HydrophobicContact CZ2-CD2 3.77Å; W425-Y436 AromaticContact CZ2-CE2 3.76Å; W425-Y436 HydrophobicContact CZ2-CE2 3.76Å; V429-Y436 HydrophobicContact CB-CD2 4.45Å; V429-Y436 HydrophobicContact CG1-CD2 3.72Å; V429-Y436 HydrophobicContact CG1-CE2 4.38Å; V429-Y436 HydrophobicContact CG1-CG 4.31Å; V429-Y436 HydrophobicContact CG2-CD2 3.78Å; V429-Y436 HydrophobicContact CG2-CE2 3.94Å; V434-Y436 HydrophobicContact CG1-CD1 3.95Å; V434-Y436 HydrophobicContact CG1-CD2 4.1Å; V434-Y436 HydrophobicContact CG1-CE1 3.6Å; V434-Y436 HydrophobicContact CG1-CE2 3.76Å; V434-Y436 HydrophobicContact CG1-CG 4.18Å; Y436-D438 VanDerWaalsContact C-N 3.35Å
437G92.1Very high92.9Very high51 Ų5159.4 Ų59.453%0.52633%0.327SS..  trans81.811.1-179.700000114.5G435 M439G435-G437 PolarHBondContact O-N 3.02Å; G435-G437 VanDerWaalsContact O-N 3.16Å; G437-M439 VanDerWaalsContact C-N 3.33Å
438D92.9Very high92.9Very high85 Ų8564.9 Ų64.946%0.45536%0.355SS..SBendtrans-68.2-31173.560.8-39.1000112.8W425 Y436W425-D438 PolarHBondContact NE1-OD2 3Å; Y436-D438 VanDerWaalsContact C-N 3.35Å
439M90.4Very high93Very high15 Ų1562.5 Ų62.57%0.07434%0.344CS..SBendtrans-131.9130.6174-60.8177.763.600110D416 F417 I422 W426 G437D416-M439 HydrophobicContact CB-CE 4.39Å; D416-M439 HydrophobicContact CB-CG 4.44Å; D416-M439 WeakPolarHBondContact O-CE 3.48Å; F417-M439 HydrophobicContact CD1-CE 3.64Å; F417-M439 HydrophobicContact CE1-CE 3.72Å; F417-M439 HydrophobicContact CG-CE 4.17Å; F417-M439 HydrophobicContact CZ-CB 4.38Å; F417-M439 HydrophobicContact CZ-CE 4.3Å; I422-M439 HydrophobicContact CB-CE 4.33Å; I422-M439 HydrophobicContact CD1-SD 4.39Å; I422-M439 HydrophobicContact CG1-CE 3.64Å; I422-M439 HydrophobicContact CG1-SD 3.64Å; I422-M439 HydrophobicContact CG2-CE 4.05Å; W426-M439 HydrophobicContact CB-CB 4.48Å; W426-M439 HydrophobicContact CB-SD 4.5Å; W426-M439 VanDerWaalsContact CD1-O 3.23Å; G437-M439 VanDerWaalsContact C-N 3.33Å
440V92.1Very high92.9Very high64 Ų6462.7 Ų62.739%0.38835%0.347SS..  trans-138.6137.9-178.7-65.90000111
441P91.3Very high92.9Very high24 Ų2464.4 Ų64.416%0.15636%0.363CS..  trans-66.5135.7170.727.3-32.1000110.2I402 E406 W426I402-P441 HydrophobicContact CD1-CB 3.69Å; I402-P441 HydrophobicContact CD1-CG 4.38Å; E406-P441 VanDerWaalsContact OE1-CA 3.28Å; E406-P441 WeakPolarHBondContact OE1-CA 3.42Å; E406-P441 WeakPolarHBondContact OE1-CB 3.21Å; W426-P441 HydrophobicContact CZ2-CG 4.18Å
442R88Confident93Very high108 Ų10869.6 Ų69.641%0.40839%0.389SS..  trans-111-21.7179.1-62.3-174.6-173.5-152.5-2.3111.9E406 D416E406-R442 PolarHBondContact OE1-N 2.87Å; D416-R442 IonicContact OD2-NH2 3.92Å
443S90.6Very high93.2Very high12 Ų1267 Ų678%0.08437%0.373CS..SBendtrans-74144.4172.5177.20000111.4E406 S409 A445 G446 M447E406-S443 VanDerWaalsContact OE1-CB 3.3Å; E406-S443 WeakPolarHBondContact OE1-CB 3.31Å; E406-S443 PolarHBondContact OE1-N 3.02Å; S409-S443 WeakPolarHBondContact CB-OG 3.42Å; S409-S443 WeakPolarHBondContact OG-CB 3.44Å; S409-S443 PolarHBondContact OG-OG 2.92Å; S443-A445 PolarHBondContact O-N 2.97Å; S443-A445 PolarHBondContact OG-N 3.37Å; S443-A445 VanDerWaalsContact OG-N 3.14Å; S443-G446 CarbonylContact O-C 3.57Å; S443-G446 WeakPolarHBondContact O-CA 3.25Å; S443-G446 PolarHBondContact O-N 2.9Å; S443-M447 WeakPolarHBondContact O-CG 3.28Å; S443-M447 PolarHBondContact O-N 3.01Å
444Y90.4Very high93.2Very high200 Ų20064.1 Ų64.178%0.78436%0.359SS*.Hα-helixtrans-53.8-39.2168.2-63.4-68.3000112.1M447 I448Y444-M447 PolarHBondContact O-N 3.49Å; Y444-I448 WeakPolarHBondContact O-CG1 3.46Å; Y444-I448 PolarHBondContact O-N 2.68Å; Y444-I448 VanDerWaalsContact O-N 3.12Å
445A91.5Very high93.2Very high46 Ų4664.8 Ų64.838%0.3836%0.363SS..Hα-helixtrans-65.7-42.1175.900000111.3A405 S443 I448 V449A405-A445 HydrophobicContact CB-CB 4.05Å; S443-A445 PolarHBondContact O-N 2.97Å; S443-A445 PolarHBondContact OG-N 3.37Å; S443-A445 VanDerWaalsContact OG-N 3.14Å; A445-I448 PolarHBondContact O-N 3.23Å; A445-V449 WeakPolarHBondContact O-CG2 3.38Å; A445-V449 PolarHBondContact O-N 3.29Å
446G92.6Very high93.1Very high0 Ų063.6 Ų63.60%035%0.346CS..Hα-helixtrans-64.1-38.1176.100000112.8S443 V449 G450S443-G446 CarbonylContact O-C 3.57Å; S443-G446 WeakPolarHBondContact O-CA 3.25Å; S443-G446 PolarHBondContact O-N 2.9Å; G446-V449 PolarHBondContact O-N 3.47Å; G446-G450 PolarHBondContact O-N 3.33Å
447M92.8Very high93.1Very high98 Ų9856 Ų5648%0.48332%0.316SS..Hα-helixtrans-64.3-41.7175.9-69.3177.2-177.800112S443 Y444 G450 A451S443-M447 WeakPolarHBondContact O-CG 3.28Å; S443-M447 PolarHBondContact O-N 3.01Å; Y444-M447 PolarHBondContact O-N 3.49Å; M447-G450 PolarHBondContact O-N 3.02Å; M447-A451 PolarHBondContact O-N 3.04Å
448I95.4Very high93.2Very high115 Ų11557.3 Ų57.359%0.5931%0.314SS*.Hα-helixtrans-62.4-45.4174.2-66.8167.1000110.4Y444 A445 G450 A451 M452Y444-I448 WeakPolarHBondContact O-CG1 3.46Å; Y444-I448 PolarHBondContact O-N 2.68Å; Y444-I448 VanDerWaalsContact O-N 3.12Å; A445-I448 PolarHBondContact O-N 3.23Å; I448-G450 VanDerWaalsContact C-N 3.32Å; I448-G450 PolarHBondContact O-N 2.78Å; I448-A451 PolarHBondContact O-N 2.91Å; I448-M452 WeakPolarHBondContact O-CG 3.49Å; I448-M452 PolarHBondContact O-N 3.47Å
449V95.4Very high93.2Very high23 Ų2358.2 Ų58.214%0.13932%0.318CS..Hα-helixtrans-61-41.6175.9172.30000111F398 L401 I402 A405 A445 G446 M452 C453F398-V449 HydrophobicContact CD1-CG1 4.16Å; L401-V449 HydrophobicContact CB-CG1 3.78Å; L401-V449 HydrophobicContact CB-CG2 4.23Å; I402-V449 HydrophobicContact CB-CG1 4.31Å; I402-V449 HydrophobicContact CD1-CB 4.35Å; I402-V449 HydrophobicContact CD1-CG1 4.27Å; A405-V449 HydrophobicContact CB-CG2 4.47Å; A445-V449 WeakPolarHBondContact O-CG2 3.38Å; A445-V449 PolarHBondContact O-N 3.29Å; G446-V449 PolarHBondContact O-N 3.47Å; V449-M452 PolarHBondContact O-N 3.22Å; V449-C453 WeakPolarHBondContact O-CB 3.44Å; V449-C453 PolarHBondContact O-N 3.48Å
450G94.8Very high93.2Very high11 Ų1158.2 Ų58.211%0.11332%0.318CS..Hα-helixtrans-61.3-44175.200000113.1G446 M447 I448 C453 A454G446-G450 PolarHBondContact O-N 3.33Å; M447-G450 PolarHBondContact O-N 3.02Å; I448-G450 VanDerWaalsContact C-N 3.32Å; I448-G450 PolarHBondContact O-N 2.78Å; G450-C453 WeakPolarHBondContact O-CB 3.13Å; G450-C453 PolarHBondContact O-N 3.19Å; G450-A454 PolarHBondContact O-N 3.15Å
451A95Very high93.2Very high60 Ų6057.7 Ų57.750%0.49631%0.313SS..Hα-helixtrans-62.4-46175.500000111.7M447 I448 C453 A454 V455M447-A451 PolarHBondContact O-N 3.04Å; I448-A451 PolarHBondContact O-N 2.91Å; A451-C453 VanDerWaalsContact C-N 3.33Å; A451-C453 PolarHBondContact O-N 3.31Å; A451-A454 PolarHBondContact O-N 2.81Å; A451-V455 WeakPolarHBondContact O-CG2 3.39Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.16Å
452M95.4Very high93.1Very high111 Ų11159.4 Ų59.455%0.54733%0.325SS..Hα-helixtrans-63.4-38.9176.1-69.9-61.4-64.200112.3F398 I448 V449 T456F398-M452 HydrophobicContact CE1-CB 4.13Å; I448-M452 WeakPolarHBondContact O-CG 3.49Å; I448-M452 PolarHBondContact O-N 3.47Å; V449-M452 PolarHBondContact O-N 3.22Å; M452-T456 VanDerWaalsContact O-CB 3.27Å; M452-T456 WeakPolarHBondContact O-CB 3.22Å; M452-T456 PolarHBondContact O-N 2.93Å; M452-T456 PolarHBondContact O-OG1 3.48Å
453C96.1Very high93Very high0 Ų060.6 Ų60.60%034%0.339CS..Hα-helixtrans-62.7-47.4176.8-177.40000111.5F398 W426 T430 V449 G450 A451 T456 G457F398-C453 HydrophobicContact CB-CB 4.29Å; F398-C453 HydrophobicContact CD1-CB 3.71Å; F398-C453 HydrophobicContact CD2-CB 4.18Å; F398-C453 HydrophobicContact CE1-CB 4.04Å; F398-C453 HydrophobicContact CE2-CB 4.48Å; F398-C453 HydrophobicContact CG-CB 3.81Å; F398-C453 HydrophobicContact CZ-CB 4.42Å; W426-C453 HydrophobicContact CH2-CB 4.4Å; T430-C453 HydrophobicContact CG2-CB 4.25Å; V449-C453 WeakPolarHBondContact O-CB 3.44Å; V449-C453 PolarHBondContact O-N 3.48Å; G450-C453 WeakPolarHBondContact O-CB 3.13Å; G450-C453 PolarHBondContact O-N 3.19Å; A451-C453 VanDerWaalsContact C-N 3.33Å; A451-C453 PolarHBondContact O-N 3.31Å; C453-T456 PolarHBondContact O-N 3.5Å; C453-G457 PolarHBondContact O-N 3.42Å
454A95.5Very high92.8Very high37 Ų3760.8 Ų60.831%0.30634%0.34SS..Hα-helixtrans-61.4-47.4179.200000112.1T430 G450 A451 G457 V458T430-A454 HydrophobicContact CG2-CB 4.25Å; G450-A454 PolarHBondContact O-N 3.15Å; A451-A454 PolarHBondContact O-N 2.81Å; A454-G457 PolarHBondContact O-N 3.03Å; A454-V458 WeakPolarHBondContact O-CG2 3.32Å; A454-V458 PolarHBondContact O-N 3.02Å; A454-V458 VanDerWaalsContact O-N 3.14Å
455V95.4Very high92.6Very high89 Ų8954.6 Ų54.654%0.53932%0.323SS..Hα-helixtrans-62.5-46.9177.8174.50000111A451 G457 V458 L459A451-V455 WeakPolarHBondContact O-CG2 3.39Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.16Å; V455-G457 VanDerWaalsContact C-N 3.32Å; V455-G457 PolarHBondContact O-N 3.36Å; V455-V458 PolarHBondContact O-N 3.31Å; V455-L459 HydrophobicContact CG1-CD1 3.99Å; V455-L459 VanDerWaalsContact O-CG 3.32Å; V455-L459 WeakPolarHBondContact O-CG 3.44Å; V455-L459 PolarHBondContact O-N 3.33Å; V455-L459 VanDerWaalsContact O-N 3.13Å
456T93.9Very high92.5Very high27 Ų2756.2 Ų56.217%0.16633%0.33CS..Hα-helixtrans-65-36.9179.8-53.90000111.7F394 F398 M452 C453 L459 T460F394-T456 HydrophobicContact CD1-CG2 3.85Å; F394-T456 HydrophobicContact CD2-CG2 4.45Å; F394-T456 HydrophobicContact CE1-CG2 3.84Å; F394-T456 HydrophobicContact CE2-CG2 4.44Å; F394-T456 HydrophobicContact CG-CG2 4.18Å; F394-T456 HydrophobicContact CZ-CG2 4.15Å; F398-T456 HydrophobicContact CE2-CG2 3.81Å; F398-T456 HydrophobicContact CZ-CG2 4.15Å; M452-T456 VanDerWaalsContact O-CB 3.27Å; M452-T456 WeakPolarHBondContact O-CB 3.22Å; M452-T456 PolarHBondContact O-N 2.93Å; M452-T456 PolarHBondContact O-OG1 3.48Å; C453-T456 PolarHBondContact O-N 3.5Å; T456-L459 PolarHBondContact O-N 2.91Å; T456-T460 WeakPolarHBondContact O-CB 3.32Å; T456-T460 PolarHBondContact O-N 2.99Å; T456-T460 PolarHBondContact O-OG1 3.36Å
457G93.9Very high92.2Very high0 Ų059.2 Ų59.20%035%0.348CS..Hα-helixtrans-61.3-50.417700000112.7M431 C453 A454 V455 L459 T460 I461M431-G457 CarbonylContact O-C 3.54Å; C453-G457 PolarHBondContact O-N 3.42Å; A454-G457 PolarHBondContact O-N 3.03Å; V455-G457 VanDerWaalsContact C-N 3.32Å; V455-G457 PolarHBondContact O-N 3.36Å; G457-L459 PolarHBondContact O-N 3.44Å; G457-T460 PolarHBondContact O-N 3.44Å; G457-I461 WeakPolarHBondContact O-CG1 3.14Å; G457-I461 PolarHBondContact O-N 3.37Å
458V94.1Very high91.8Very high79 Ų7956.3 Ų56.348%0.47933%0.334SS..Hα-helixtrans-60.5-45.3177.3175.60000111.2T433 A454 V455 T460 I461 S462T433-V458 HydrophobicContact CG2-CG2 3.48Å; T433-V458 VanDerWaalsContact CG2-CG2 3.48Å; A454-V458 WeakPolarHBondContact O-CG2 3.32Å; A454-V458 PolarHBondContact O-N 3.02Å; A454-V458 VanDerWaalsContact O-N 3.14Å; V455-V458 PolarHBondContact O-N 3.31Å; V458-T460 VanDerWaalsContact C-N 3.32Å; V458-T460 PolarHBondContact O-N 3.43Å; V458-I461 PolarHBondContact O-N 3.2Å; V458-S462 VanDerWaalsContact O-CB 3.31Å; V458-S462 WeakPolarHBondContact O-CB 3.23Å; V458-S462 PolarHBondContact O-N 3.41Å; V458-S462 PolarHBondContact O-OG 2.97Å
459L92.5Very high91.5Very high104 Ų10455 Ų5555%0.54533%0.331SS..Hα-helixtrans-63.6-36.5177-69174000112.5V455 T456 G457 S462 L463V455-L459 HydrophobicContact CG1-CD1 3.99Å; V455-L459 VanDerWaalsContact O-CG 3.32Å; V455-L459 WeakPolarHBondContact O-CG 3.44Å; V455-L459 PolarHBondContact O-N 3.33Å; V455-L459 VanDerWaalsContact O-N 3.13Å; T456-L459 PolarHBondContact O-N 2.91Å; G457-L459 PolarHBondContact O-N 3.44Å; L459-S462 PolarHBondContact O-OG 3.35Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å
460T90.6Very high91.1Very high14 Ų1457.6 Ų57.69%0.08635%0.35CS..Hα-helixtrans-70.8-41.7179.7-580000111.4F390 F394 T456 G457 V458 P464F390-T460 HydrophobicContact CB-CG2 4.49Å; F394-T460 HydrophobicContact CD2-CG2 4.1Å; F394-T460 HydrophobicContact CE2-CG2 4.37Å; T456-T460 WeakPolarHBondContact O-CB 3.32Å; T456-T460 PolarHBondContact O-N 2.99Å; T456-T460 PolarHBondContact O-OG1 3.36Å; G457-T460 PolarHBondContact O-N 3.44Å; V458-T460 VanDerWaalsContact C-N 3.32Å; V458-T460 PolarHBondContact O-N 3.43Å; T460-P464 WeakPolarHBondContact O-CD 3.48Å
461I91.1Very high90.5Very high54 Ų5458.9 Ų58.928%0.27735%0.354SS..Hα-helixtrans-73.5-31.2179.7-65.9173.1000111.4L391 M431 T432 G457 V458 L463 P464 V465L391-I461 HydrophobicContact CD1-CD1 4.5Å; L391-I461 HydrophobicContact CD1-CG1 4.14Å; M431-I461 WeakPolarHBondContact O-CD1 3.37Å; T432-I461 HydrophobicContact CG2-CD1 4.25Å; G457-I461 WeakPolarHBondContact O-CG1 3.14Å; G457-I461 PolarHBondContact O-N 3.37Å; V458-I461 PolarHBondContact O-N 3.2Å; I461-L463 VanDerWaalsContact C-N 3.33Å; I461-L463 PolarHBondContact O-N 3.45Å; I461-P464 VanDerWaalsContact O-CD 3.3Å; I461-P464 WeakPolarHBondContact O-CD 3.43Å; I461-V465 HydrophobicContact CG2-CG2 4.15Å; I461-V465 VanDerWaalsContact O-CG2 3.27Å; I461-V465 WeakPolarHBondContact O-CG2 3.35Å
462S90.4Very high90.1Very high59 Ų5959.8 Ų59.841%0.41335%0.347SS..Hα-helixtrans-69.9-23.8-178.870.60000114.2V458 L459 P466V458-S462 VanDerWaalsContact O-CB 3.31Å; V458-S462 WeakPolarHBondContact O-CB 3.23Å; V458-S462 PolarHBondContact O-N 3.41Å; V458-S462 PolarHBondContact O-OG 2.97Å; L459-S462 PolarHBondContact O-OG 3.35Å; S462-P466 WeakPolarHBondContact O-CD 3.15Å; S462-P466 WeakPolarHBondContact O-CG 3.37Å
463L86.6Confident89.7Confident134 Ų13457.8 Ų57.870%0.70234%0.344SS*.THydrogen-bonded Turntrans-67.5-51.3179.8-69173.1000114.3L459 I461L459-L463 WeakPolarHBondContact O-CG 3.4Å; I461-L463 VanDerWaalsContact C-N 3.33Å; I461-L463 PolarHBondContact O-N 3.45Å
464P84.6Confident89Confident16 Ų1660.4 Ų60.410%0.10436%0.357CS..Hα-helixtrans-82.9-25.8-176.331.1-39.2000114.8L387 T460 I461 V467 I468L387-P464 HydrophobicContact CB-CB 4.08Å; L387-P464 HydrophobicContact CB-CG 4.03Å; L387-P464 HydrophobicContact CD1-CB 4.5Å; L387-P464 HydrophobicContact CD1-CG 3.53Å; L387-P464 HydrophobicContact CD2-CB 4.07Å; L387-P464 HydrophobicContact CD2-CG 3.61Å; L387-P464 HydrophobicContact CG-CB 4.4Å; L387-P464 HydrophobicContact CG-CG 3.87Å; T460-P464 WeakPolarHBondContact O-CD 3.48Å; I461-P464 VanDerWaalsContact O-CD 3.3Å; I461-P464 WeakPolarHBondContact O-CD 3.43Å; P464-V467 WeakPolarHBondContact O-CB 3.2Å; P464-V467 PolarHBondContact O-N 3.09Å; P464-V467 VanDerWaalsContact O-N 3.12Å; P464-I468 WeakPolarHBondContact O-CG1 3.39Å; P464-I468 PolarHBondContact O-N 3.34Å
465V87.8Confident88.4Confident70 Ų7059 Ų5942%0.42434%0.344SS..Hα-helixtrans-57.8-47.2-176.51700000111.8I461 V467 I468 V469I461-V465 HydrophobicContact CG2-CG2 4.15Å; I461-V465 VanDerWaalsContact O-CG2 3.27Å; I461-V465 WeakPolarHBondContact O-CG2 3.35Å; V465-V467 VanDerWaalsContact C-N 3.29Å; V465-V467 PolarHBondContact O-N 3.3Å; V465-I468 PolarHBondContact O-N 2.95Å; V465-V469 HydrophobicContact CG1-CG2 4.22Å; V465-V469 VanDerWaalsContact O-CG2 3.3Å; V465-V469 WeakPolarHBondContact O-CG2 3.25Å; V465-V469 PolarHBondContact O-N 3.24Å
466P88.9Confident87.8Confident80 Ų8061 Ų6152%0.51934%0.343SS..Hα-helixtrans-59.9-35.5175.5-25.935.5000113.7S462 V469 S470S462-P466 WeakPolarHBondContact O-CD 3.15Å; S462-P466 WeakPolarHBondContact O-CG 3.37Å; P466-V469 PolarHBondContact O-N 3.38Å; P466-S470 WeakPolarHBondContact O-CB 3.47Å; P466-S470 PolarHBondContact O-N 3.32Å
467V85.9Confident87.4Confident62 Ų6262.4 Ų62.438%0.37635%0.354SS..Hα-helixtrans-65.5-45.3177.2-178.30000110.3E383 P464 V465 S470 N471E383-V467 HydrophobicContact CB-CG1 4.48Å; E383-V467 HydrophobicContact CG-CG1 4.08Å; P464-V467 WeakPolarHBondContact O-CB 3.2Å; P464-V467 PolarHBondContact O-N 3.09Å; P464-V467 VanDerWaalsContact O-N 3.12Å; V465-V467 VanDerWaalsContact C-N 3.29Å; V465-V467 PolarHBondContact O-N 3.3Å; V467-S470 PolarHBondContact O-N 3.36Å; V467-N471 PolarHBondContact O-N 2.98Å
468I84.9Confident86.8Confident38 Ų3864.4 Ų64.420%0.19536%0.363CS..Hα-helixtrans-63.7-44.8177.3-63.7167.5000110.7P464 V465 N471 F472P464-I468 WeakPolarHBondContact O-CG1 3.39Å; P464-I468 PolarHBondContact O-N 3.34Å; V465-I468 PolarHBondContact O-N 2.95Å; I468-N471 PolarHBondContact O-N 3.37Å; I468-F472 WeakPolarHBondContact O-CB 3.5Å; I468-F472 PolarHBondContact O-N 3.03Å
469V88.5Confident86Confident87 Ų8762 Ų6253%0.52735%0.349SS..Hα-helixtrans-64.5-41.2179172.10000111V465 P466 F472 S473V465-V469 HydrophobicContact CG1-CG2 4.22Å; V465-V469 VanDerWaalsContact O-CG2 3.3Å; V465-V469 WeakPolarHBondContact O-CG2 3.25Å; V465-V469 PolarHBondContact O-N 3.24Å; P466-V469 PolarHBondContact O-N 3.38Å; V469-F472 PolarHBondContact O-N 3.45Å; V469-S473 VanDerWaalsContact O-CB 3.3Å; V469-S473 WeakPolarHBondContact O-CB 3.48Å; V469-S473 PolarHBondContact O-N 2.89Å
470S86.4Confident85.6Confident77 Ų7760.4 Ų60.454%0.53834%0.341SS..Hα-helixtrans-60.9-48.8175.9-176.40000111.4P466 V467 F472 S473 M474P466-S470 WeakPolarHBondContact O-CB 3.47Å; P466-S470 PolarHBondContact O-N 3.32Å; V467-S470 PolarHBondContact O-N 3.36Å; S470-F472 PolarHBondContact O-N 3.39Å; S470-S473 PolarHBondContact O-N 2.98Å; S470-M474 PolarHBondContact O-N 3Å
471N84.2Confident85.1Confident38 Ų3862 Ų6220%0.20336%0.355CS..Hα-helixtrans-60.4-46.3175.3-74.7-8.9000111.2S380 V467 I468 S473 M474 F475S380-N471 PolarHBondContact OG-ND2 2.94Å; V467-N471 PolarHBondContact O-N 2.98Å; I468-N471 PolarHBondContact O-N 3.37Å; N471-S473 PolarHBondContact O-N 3.47Å; N471-M474 WeakPolarHBondContact O-CB 3.26Å; N471-M474 PolarHBondContact O-N 2.89Å; N471-F475 WeakPolarHBondContact O-CD2 3.32Å; N471-F475 PolarHBondContact O-N 2.89Å
472F85.2Confident84.1Confident80 Ų8060.7 Ų60.735%0.35135%0.347SS..Hα-helixtrans-60.1-44.1177.5-178.4-96.2000112.1L373 T376 I468 V469 S470 M474 F475 Y476L373-F472 HydrophobicContact CD1-CD2 4.36Å; L373-F472 HydrophobicContact CD1-CE2 4.05Å; T376-F472 HydrophobicContact CG2-CB 4.02Å; T376-F472 HydrophobicContact CG2-CD2 4.15Å; I468-F472 WeakPolarHBondContact O-CB 3.5Å; I468-F472 PolarHBondContact O-N 3.03Å; V469-F472 PolarHBondContact O-N 3.45Å; S470-F472 PolarHBondContact O-N 3.39Å; F472-M474 VanDerWaalsContact C-N 3.34Å; F472-M474 PolarHBondContact O-N 3.2Å; F472-F475 PolarHBondContact O-N 3.36Å; F472-Y476 WeakPolarHBondContact O-CB 3.33Å; F472-Y476 PolarHBondContact O-N 2.82Å
473S87.7Confident83.1Confident69 Ų6961.4 Ų61.448%0.48335%0.352SS..Hα-helixtrans-61.1-41.5176.1-174.10000111.7V469 S470 N471 Y476 S477V469-S473 VanDerWaalsContact O-CB 3.3Å; V469-S473 WeakPolarHBondContact O-CB 3.48Å; V469-S473 PolarHBondContact O-N 2.89Å; S470-S473 PolarHBondContact O-N 2.98Å; N471-S473 PolarHBondContact O-N 3.47Å; S473-Y476 PolarHBondContact O-N 3.43Å; S473-S477 WeakPolarHBondContact O-CB 3.3Å; S473-S477 PolarHBondContact O-N 3.39Å; S473-S477 PolarHBondContact O-OG 3.47Å
474M81.4Confident82.6Confident54 Ų5462.4 Ų62.427%0.26635%0.35SS..Hα-helixtrans-60-52.3173.5-175.1-173.8179.300111.5T111 S470 N471 F472 Y476 S477 H478T111-M474 HydrophobicContact CG2-CE 4.33Å; S470-M474 PolarHBondContact O-N 3Å; N471-M474 WeakPolarHBondContact O-CB 3.26Å; N471-M474 PolarHBondContact O-N 2.89Å; F472-M474 VanDerWaalsContact C-N 3.34Å; F472-M474 PolarHBondContact O-N 3.2Å; M474-Y476 PolarHBondContact O-N 3.14Å; M474-S477 PolarHBondContact O-OG 3.05Å; M474-H478 WeakPolarHBondContact O-CB 3.43Å; M474-H478 PolarHBondContact O-CD2 3.47Å; M474-H478 PolarHBondContact O-N 3.47Å
475F81.8Confident82Confident8 Ų864 Ų644%0.03536%0.357CS..Hα-helixtrans-63.8-39.9178.7-79.5-77000112.7T111 L115 L375 T376 A379 N471 F472 T479T111-F475 HydrophobicContact CG2-CD1 3.61Å; T111-F475 HydrophobicContact CG2-CE1 3.43Å; T111-F475 VanDerWaalsContact CG2-CE1 3.43Å; T111-F475 HydrophobicContact CG2-CG 4.35Å; T111-F475 HydrophobicContact CG2-CZ 4.01Å; L115-F475 HydrophobicContact CD1-CD1 4.22Å; L115-F475 HydrophobicContact CG-CD1 4.4Å; L375-F475 HydrophobicContact CD2-CD1 4.4Å; L375-F475 HydrophobicContact CD2-CE1 4.31Å; T376-F475 HydrophobicContact CG2-CD2 4.02Å; A379-F475 HydrophobicContact CB-CE2 3.85Å; A379-F475 HydrophobicContact CB-CZ 3.73Å; N471-F475 WeakPolarHBondContact O-CD2 3.32Å; N471-F475 PolarHBondContact O-N 2.89Å; F472-F475 PolarHBondContact O-N 3.36Å; F475-T479 WeakPolarHBondContact O-CB 3.41Å; F475-T479 PolarHBondContact O-N 2.93Å; F475-T479 PolarHBondContact O-OG1 3.33Å
476Y83.8Confident80.8Confident130 Ų13064.8 Ų64.851%0.5136%0.364SS..Hα-helixtrans-67.3-47.9179.7-178.1-104000111.7F472 S473 M474 H478 T479 L480F472-Y476 WeakPolarHBondContact O-CB 3.33Å; F472-Y476 PolarHBondContact O-N 2.82Å; S473-Y476 PolarHBondContact O-N 3.43Å; M474-Y476 PolarHBondContact O-N 3.14Å; Y476-H478 PolarHBondContact O-N 3.42Å; Y476-T479 PolarHBondContact O-N 3.36Å; Y476-L480 HydrophobicContact CE1-CD2 4.47Å; Y476-L480 WeakPolarHBondContact O-CB 3.36Å; Y476-L480 PolarHBondContact O-N 3.46Å
477S84.9Confident79.5Confident58 Ų5867.2 Ų67.241%0.40637%0.367SS..Hα-helixtrans-63-40.117862.50000112S473 M474 L480 A481S473-S477 WeakPolarHBondContact O-CB 3.3Å; S473-S477 PolarHBondContact O-N 3.39Å; S473-S477 PolarHBondContact O-OG 3.47Å; M474-S477 PolarHBondContact O-OG 3.05Å; S477-L480 PolarHBondContact O-N 3.39Å; S477-A481 VanDerWaalsContact O-CB 3.32Å; S477-A481 WeakPolarHBondContact O-CB 3.45Å; S477-A481 PolarHBondContact O-N 3.16Å
478H81.7Confident78Confident41 Ų4173.8 Ų73.819%0.1939%0.39CS..Hα-helixtrans-62.7-43.7173.3-86.6-62.8000112.6T108 L112 L115 M474 Y476 L480 A481 R482T108-H478 WeakPolarHBondContact CG2-CE1 3.37Å; L112-H478 HydrophobicContact CD2-CB 4.48Å; L115-H478 HydrophobicContact CD1-CB 3.86Å; M474-H478 WeakPolarHBondContact O-CB 3.43Å; M474-H478 PolarHBondContact O-CD2 3.47Å; M474-H478 PolarHBondContact O-N 3.47Å; Y476-H478 PolarHBondContact O-N 3.42Å; H478-L480 VanDerWaalsContact C-N 3.33Å; H478-L480 PolarHBondContact O-N 2.97Å; H478-A481 PolarHBondContact O-N 3.35Å; H478-R482 WeakPolarHBondContact O-CB 3.07Å; H478-R482 WeakPolarHBondContact O-CG 3.35Å; H478-R482 PolarHBondContact O-N 3.23Å
479T77.9Confident76.7Confident30 Ų3080.4 Ų80.418%0.18441%0.413CS..Hα-helixtrans-62.9-42.2176.5-54.70000111.2L115 I372 F475 Y476 R482 S483L115-T479 VanDerWaalsContact CD2-OG1 3.23Å; L115-T479 WeakPolarHBondContact CD2-OG1 3.49Å; I372-T479 HydrophobicContact CD1-CG2 3.77Å; F475-T479 WeakPolarHBondContact O-CB 3.41Å; F475-T479 PolarHBondContact O-N 2.93Å; F475-T479 PolarHBondContact O-OG1 3.33Å; Y476-T479 PolarHBondContact O-N 3.36Å; T479-R482 PolarHBondContact O-N 2.83Å; T479-S483 PolarHBondContact O-N 3.29Å
480L83.7Confident75.1Confident70 Ų7078.9 Ų78.937%0.36640%0.397SS..Hα-helixtrans-68-40.4178.1-177.161000112.5Y476 S477 H478 R482 S483 K484Y476-L480 HydrophobicContact CE1-CD2 4.47Å; Y476-L480 WeakPolarHBondContact O-CB 3.36Å; Y476-L480 PolarHBondContact O-N 3.46Å; S477-L480 PolarHBondContact O-N 3.39Å; H478-L480 VanDerWaalsContact C-N 3.33Å; H478-L480 PolarHBondContact O-N 2.97Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 3.4Å; L480-S483 PolarHBondContact O-N 3.07Å; L480-S483 PolarHBondContact O-OG 3.47Å; L480-K484 WeakPolarHBondContact O-CG 3.46Å; L480-K484 PolarHBondContact O-N 3Å
481A79.8Confident73.4Confident47 Ų4783.8 Ų83.839%0.38840%0.404SS..Hα-helixtrans-63.7-37.2175.400000111.4S477 H478S477-A481 VanDerWaalsContact O-CB 3.32Å; S477-A481 WeakPolarHBondContact O-CB 3.45Å; S477-A481 PolarHBondContact O-N 3.16Å; H478-A481 PolarHBondContact O-N 3.35Å
482R70.7Confident71.8Confident27 Ų2786.6 Ų86.610%0.10242%0.418CS..Hα-helixtrans-71.1-37177.1-73.5172.163.8109.65.1112.9D116 D119 H478 T479 L480 K484 L485D116-R482 IonicContact OD1-CZ 2.73Å; D116-R482 IonicContact OD1-NH1 3.3Å; D116-R482 PolarHBondContact OD1-NH1 3.42Å; D116-R482 IonicContact OD1-NH2 2.78Å; D116-R482 PolarHBondContact OD1-NH2 2.97Å; D116-R482 IonicContact OD2-NH1 2.83Å; D119-R482 IonicContact OD2-CZ 3.65Å; D119-R482 IonicContact OD2-NE 3.6Å; D119-R482 PolarHBondContact OD2-NE 3.2Å; D119-R482 IonicContact OD2-NH2 3.91Å; D119-R482 PolarHBondContact OD2-NH2 3.03Å; H478-R482 WeakPolarHBondContact O-CB 3.07Å; H478-R482 WeakPolarHBondContact O-CG 3.35Å; H478-R482 PolarHBondContact O-N 3.23Å; T479-R482 PolarHBondContact O-N 2.83Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 3.4Å; R482-K484 PolarHBondContact O-N 2.96Å; R482-L485 PolarHBondContact O-N 2.89Å; R482-L485 VanDerWaalsContact O-N 3.15Å
483S69.7Low69.8Low74 Ų7489.8 Ų89.852%0.51744%0.438SS..Hα-helixtrans-64.2-31.6177.273.80000112.4T479 L480T479-S483 PolarHBondContact O-N 3.29Å; L480-S483 PolarHBondContact O-N 3.07Å; L480-S483 PolarHBondContact O-OG 3.47Å
484K76Confident67.5Low155 Ų15591.2 Ų91.267%0.67445%0.446SS*.THydrogen-bonded Turntrans-74.8-19.4175.1-66.7178.2-178.7-1800114.2L480 R482L480-K484 WeakPolarHBondContact O-CG 3.46Å; L480-K484 PolarHBondContact O-N 3Å; R482-K484 PolarHBondContact O-N 2.96Å
485L71Confident65.8Low48 Ų4893.7 Ų93.725%0.25146%0.464SS..SBendtrans-84.2133.8-178.4-76.5163.8000111.5R482 K487 R490R482-L485 PolarHBondContact O-N 2.89Å; R482-L485 VanDerWaalsContact O-N 3.15Å; L485-K487 PolarHBondContact O-N 3.3Å; L485-R490 HydrophobicContact CB-CG 4.4Å; L485-R490 PolarHBondContact O-NE 2.72Å; L485-R490 VanDerWaalsContact O-NE 3.09Å; L485-R490 PolarHBondContact O-NH2 2.89Å
486P64.2Low63.6Low87 Ų87100.3 Ų100.357%0.56550%0.495SS*.  trans-61.1135.117825.5-33.3000110.4K488 R489P486-K488 PolarHBondContact O-N 3.18Å; P486-R489 PolarHBondContact O-N 3.47Å
487K60.2Low61.4Low131 Ų13197.7 Ų97.757%0.5750%0.5SS*.G310 helixtrans-45.8-38.3-171-63.9-166.2178.8-1480114.4D123 L485 R489 R490D123-K487 IonicContact OD1-NZ 2.77Å; D123-K487 PolarHBondContact OD1-NZ 3.43Å; L485-K487 PolarHBondContact O-N 3.3Å; K487-R489 VanDerWaalsContact C-N 3.26Å; K487-R489 PolarHBondContact O-N 2.89Å; K487-R490 PolarHBondContact O-N 3.24Å
488K55.3Low59.1Low201 Ų201102.8 Ų102.887%0.87452%0.521SS*.G310 helixtrans-66-21.4-177.3-162.8170.2-178177.90114.3P486P486-K488 PolarHBondContact O-N 3.18Å
489R57.9Low56.8Low177 Ų177111 Ų11167%0.66855%0.55SS**G310 helixtrans-103.55.6-177.6-144.2-179.7-167.7-167.42113.7P486 K487P486-R489 PolarHBondContact O-N 3.47Å; K487-R489 VanDerWaalsContact C-N 3.26Å; K487-R489 PolarHBondContact O-N 2.89Å
490R53.8Low54.8Low54 Ų54115.4 Ų115.420%0.20458%0.579CS.*  trans-82.7-24.9-177.7-63.3-174.4-160.7167.5-0.6114D123 L485 K487 I492D123-R490 IonicContact OD2-CZ 3.77Å; D123-R490 IonicContact OD2-NH1 3.92Å; D123-R490 PolarHBondContact OD2-NH1 3.32Å; L485-R490 HydrophobicContact CB-CG 4.4Å; L485-R490 PolarHBondContact O-NE 2.72Å; L485-R490 VanDerWaalsContact O-NE 3.09Å; L485-R490 PolarHBondContact O-NH2 2.89Å; K487-R490 PolarHBondContact O-N 3.24Å; R490-I492 PolarHBondContact O-N 3.29Å
491R50.6Low52.4Low181 Ų181121.7 Ų121.768%0.68360%0.604SS**SBendtrans-72.9121.7176.4-72.1-171.8-74.3-176.3-4.1108.7L493R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 3.38Å
492I50.8Low50.3Low97 Ų97127.3 Ų127.350%0.49762%0.621SS.*  trans-5999.3163.6-57.6159.5000104.8R490 P494R490-I492 PolarHBondContact O-N 3.29Å; I492-P494 WeakPolarHBondContact O-CD 3.41Å
493L42.6Very low48.6Very low146 Ų146135.4 Ų135.476%0.76466%0.657SS**  trans-65.3122.9164.2-75.5163.2000104.5R491 V495R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 3.38Å; L493-V495 PolarHBondContact O-N 3.49Å
494P40.4Very low47.1Very low100 Ų100136.4 Ų136.465%0.64966%0.664SS**  trans-51.9134.7164.423.5-30.6000106.6I492 E496I492-P494 WeakPolarHBondContact O-CD 3.41Å; P494-E496 PolarHBondContact O-N 3.04Å
495V44.4Very low45.1Very low105 Ų105136.6 Ų136.664%0.63667%0.672SS**  trans-6689.5176.2176.40000106.2E82 L493 A497E82-V495 WeakPolarHBondContact OE1-CG2 3.26Å; L493-V495 PolarHBondContact O-N 3.49Å; V495-A497 PolarHBondContact O-N 3.46Å
496E37.5Very low43.5Very low148 Ų148142.4 Ų142.469%0.69270%0.703SS**  trans-64110.4173.3-169.367.5-151.900105.9P494 I498P494-E496 PolarHBondContact O-N 3.04Å; E496-I498 PolarHBondContact O-N 3.27Å
497A36Very low42.3Very low74 Ų74146.6 Ų146.661%0.61272%0.719SS**  trans-50.9117.5174.500000108.3V495 R499V495-A497 PolarHBondContact O-N 3.46Å; A497-R499 VanDerWaalsContact C-N 3.3Å; A497-R499 PolarHBondContact O-N 2.85Å
498I37.7Very low41.1Very low166 Ų166144 Ų14485%0.85173%0.729SS**  trans-60.396.3175.1-62.2165.5000106.9E496E496-I498 PolarHBondContact O-N 3.27Å
499R32.6Very low40Very low214 Ų214140.5 Ų140.581%0.80873%0.73SS**  trans-64.2129.6169.6-76-171.7-168.7177.44.3107.9A497 K501A497-R499 VanDerWaalsContact C-N 3.3Å; A497-R499 PolarHBondContact O-N 2.85Å; R499-K501 PolarHBondContact O-N 3.33Å
500P36.4Very low39Very low122 Ų122135.5 Ų135.579%0.79273%0.733SS**  trans-64.4126.2173.324.9-29.9000109.2H502P500-H502 PolarHBondContact O-N 2.89Å; P500-H502 VanDerWaalsContact O-N 3.1Å
501K33.5Very low38.1Very low202 Ų202140 Ų14088%0.87877%0.767SS**  trans-66.2107.1172.5-73.8-176.6177.3-179.10108.9R499 K503R499-K501 PolarHBondContact O-N 3.33Å; K501-K503 PolarHBondContact O-N 3.25Å
502H35.8Very low37.3Very low164 Ų164135.2 Ų135.276%0.75977%0.774SS**  trans-65.7116.8168.6-168.5-91.6000109.3P500 S504P500-H502 PolarHBondContact O-N 2.89Å; P500-H502 VanDerWaalsContact O-N 3.1Å; H502-S504 PolarHBondContact O-N 3.45Å
503K35.1Very low36.4Very low198 Ų198139.8 Ų139.886%0.86179%0.793SS**  trans-78.9105.3166.3-83.8-178.8176.1177.80108.1K501K501-K503 PolarHBondContact O-N 3.25Å
504S38.2Very low36Very low94 Ų94136.2 Ų136.266%0.65779%0.791SS**  trans-108.293.316052.30000108.8H502H502-S504 PolarHBondContact O-N 3.45Å
505N34.4Very low35.9Very low159 Ų159138 Ų13885%0.8579%0.793SS**  trans-84.8105.3150.7-80.9-13.7000105.8
506L37.4Very low35.2Very low170 Ų170140.1 Ų140.189%0.8980%0.798SS**  trans-131.9123.7157.3-132.384.9000108.5
507I37.1Very low35Very low176 Ų176141.4 Ų141.490%0.90380%0.804SS**  trans-68.2137.4-179.7-68.4158.6000109
508G35Very low34.7Very low75 Ų75145.5 Ų145.577%0.77381%0.81SS**  trans-17586.3174.200000112.2
509S33.8Very low34.4Very low129 Ų129144.1 Ų144.190%0.90281%0.814SS**  trans-62.3136.8167.9179.60000110.7
510G35.5Very low34.3Very low71 Ų71138.9 Ų138.973%0.73281%0.81SS**  trans-178.889.7176.800000112.5
511T35.6Very low34.1Very low150 Ų150136.1 Ų136.192%0.9280%0.804SS**  trans-59.2133.2169.843.10000112.2
512G33.8Very low34Very low80 Ų80137.2 Ų137.283%0.82580%0.804SS**  trans-164107.4172.400000111.9
513H32.9Very low33.7Very low193 Ų193135.3 Ų135.389%0.89480%0.804SS**  trans-82.3143.5-177.1-137.874.8000111
514G34.3Very low33.7Very low70 Ų70131.2 Ų131.272%0.72280%0.8SS**  trans17782.5170.800000109.8
515I36.3Very low33.2Very low137 Ų137133.5 Ų133.570%0.70381%0.805SS**  69.9113.388.7-62.1-177.4000114.2
516M30.9Very low33.2Very low150 Ų150131.7 Ų131.774%0.73980%0.8SS**  trans61.4119.4150-70.8168.276.200120.6
517H32.7Very low33Very low175 Ų175130.2 Ų130.281%0.8179%0.792SS**  -161.3137.789.1-116.4-96.7000112.3
518H30.6Very low32.7Very low160 Ų160128.3 Ų128.374%0.74178%0.783SS**  trans-92.5141.3-170.5-158.9-95.9000109.9
519C31.1Very low32.6Very low137 Ų137133.4 Ų133.493%0.92679%0.792SS**  trans-156.1105.9142.9-120.30000108.9
520S30.5Very low32.5Very low104 Ų104131 Ų13173%0.72778%0.775SS**  trans-98.9145.7175.2-174.40000108.1
521G31.8Very low32.4Very low65 Ų65134.8 Ų134.867%0.6778%0.778SS**  trans-166.493.9176.600000112.3
522Y31.9Very low32.1Very low225 Ų225136.1 Ų136.188%0.88278%0.779SS**  trans72.788.3157.4-74.3-87.6000119.7
523T30Very low32.2Very low123 Ų123137.2 Ų137.276%0.75578%0.78SS**  trans-81.9137140.550.60000109.7
524S33.4Very low32.1Very low113 Ų113138.6 Ų138.679%0.7978%0.783SS**  trans-14499.2148.9-76.10000107.6
525D29.4Very low31.9Very low141 Ų141138.2 Ų138.275%0.75478%0.78SS**  trans-51.3143.6159.7-62.9-54.9000109.8
526T33.3Very low31.7Very low121 Ų121139.6 Ų139.674%0.74279%0.787SS**  -172114.3125.427.50000111.9
527I33.5Very low31.9Very low139 Ų139139 Ų13971%0.71379%0.791SS**  76.9103.7125.3-56.7167.6000118.5
528N30.7Very low31.8Very low136 Ų136135.4 Ų135.473%0.72778%0.784SS**  trans36.8108131.9-76.6-44.1000119.5
529L32.3Very low31.7Very low183 Ų183134.9 Ų134.996%0.95879%0.786SS**  trans-123.985.6137.5-145.876.3000109.2
530S33Very low31.7Very low79 Ų79136 Ų13655%0.55278%0.781SS**  trans-66.9145.5172.2540000111.8
531N31.8Very low31.8Very low149 Ų149136.1 Ų136.180%0.79778%0.783SS**  trans69.870150.9-56.2-29.3000118.1
532L30Very low31.7Very low179 Ų179141.4 Ų141.494%0.93779%0.79SS**  trans-16176.5152.1-152.672.6000113.2
533A36.3Very low31.7Very low102 Ų102137 Ų13784%0.84379%0.788SS**  trans174.562.2148.700000111.3
534K30.1Very low31.5Very low222 Ų222138.7 Ų138.797%0.96579%0.791SS**  trans-101.2112.7148.6-83.8-178.8179.21750106
535G29.5Very low31.4Very low63 Ų63137.8 Ų137.865%0.64979%0.791SS**  trans153.6116.2171.800000112.4
536I33.9Very low31.3Very low166 Ų166141.3 Ų141.385%0.85180%0.8SS**  trans81.592.2153.9-46.7159.7000114.9
537V33.4Very low31.1Very low137 Ų137139.8 Ų139.883%0.8380%0.799SS**  -166.6119.8112.6175.50000108.4
538P30.9Very low30.8Very low100 Ų100142 Ų14265%0.64980%0.804SS**  trans-94.9166173.736.5-29.7000112.5
539N28.7Very low30.7Very low148 Ų148146.8 Ų146.879%0.79181%0.813SS**  trans71.9116.2163.4-72.2-44000119
540I32.1Very low30.6Very low160 Ų160142.1 Ų142.182%0.82180%0.796SS**  -176.5119.8108.1-86.9154.5000110.6
541S32.4Very low30.4Very low108 Ų108144.3 Ų144.376%0.75580%0.801SS**  trans59.791.6158.566.90000120.8
542Q28.6Very low30.4Very low176 Ų176143.3 Ų143.382%0.82280%0.796SS**PPolyproline II helixtrans-92.6139.8146.3-65.6-179.2-7.300109
543P32.6Very low30.5Very low131 Ų131143.4 Ų143.485%0.85179%0.789SS**PPolyproline II helixtrans-87120.2152.929.5-22.6000109.5
544I26.2Very low30.4Very low159 Ų159142.6 Ų142.682%0.81578%0.777SS**PPolyproline II helixtrans-64.5118.1178.6-67.4157000110.2
545A31Very low30.7Very low95 Ų95137.6 Ų137.679%0.78576%0.757SS**  trans-162.761.4151.800000110.8A547A545-A547 PolarHBondContact O-N 3.46Å
546K27.3Very low31.1Very low215 Ų215139.5 Ų139.594%0.93575%0.751SS**  trans-83.294156-76.9-176.9178.91770107.2
547A29.4Very low31.1Very low89 Ų89139.7 Ų139.774%0.73675%0.746SS**  trans-96.3114.6163.300000108.4A545 Y549A545-A547 PolarHBondContact O-N 3.46Å; A547-Y549 PolarHBondContact O-N 3.33Å
548K27.1Very low31.3Very low186 Ų186139 Ų13981%0.80973%0.734SS**  trans-44.4119165.9-80.8173164.8-177.60110.4
549Y28.5Very low31.5Very low236 Ų236138.5 Ų138.593%0.92573%0.725SS**  trans-141.347.8158.9-114.7-85.4000108.3A547A547-Y549 PolarHBondContact O-N 3.33Å
550S29.3Very low31.8Very low84 Ų84139.4 Ų139.459%0.58772%0.719SS**  trans-105.9152.8147.771.10000105.7
551D29.6Very low32.2Very low125 Ų125139.4 Ų139.467%0.66872%0.715SS**SBendtrans111.55.4165.8-44.1-10.7000117.2
552N31.3Very low32.3Very low128 Ų128140.5 Ų140.568%0.68471%0.713SS**  trans-130.110170.4-88.9-21.6000116S554N552-S554 VanDerWaalsContact C-N 3.29Å; N552-S554 PolarHBondContact O-N 3.44Å
553F32Very low32.5Very low181 Ų181140.8 Ų140.879%0.79471%0.706SS**THydrogen-bonded Turntrans-83-1.2-179.5-143.1-97.8000114.2
554S34.4Very low32.7Very low85 Ų85145.9 Ų145.959%0.59471%0.709SS**THydrogen-bonded Turntrans-86.6-23.3175.341.90000113.6N552N552-S554 VanDerWaalsContact C-N 3.29Å; N552-S554 PolarHBondContact O-N 3.44Å
555H36.2Very low33Very low118 Ų118146.5 Ų146.555%0.54671%0.706SS.*Hα-helixtrans-85.2-8.5-176.2-113.5-76.6000115.2N559H555-N559 PolarHBondContact O-ND2 3.24Å
556I37.8Very low33.1Very low103 Ų103152.5 Ų152.553%0.52871%0.71SS.*Hα-helixtrans-91-21.1178.2-63.2173.8000111.1
557K35.5Very low33.3Very low169 Ų169147.7 Ų147.774%0.73570%0.7SS**Hα-helixtrans-81.8-30.1-179.9-141.5175.2-176.7-1790113
558E35.7Very low33.2Very low123 Ų123150.8 Ų150.858%0.57570%0.704SS**Hα-helixtrans-76.8-30.9173.8-87.4179.1146.100113.3Y560 Q561 N562E558-Y560 VanDerWaalsContact C-N 3.29Å; E558-Y560 PolarHBondContact O-N 3.08Å; E558-Q561 PolarHBondContact O-N 3.18Å; E558-N562 PolarHBondContact O-N 2.79Å
559N35.3Very low33.4Very low89 Ų89147.1 Ų147.148%0.47670%0.702SS.*Hα-helixtrans-78.8-9.4179.1-83-39.5000114.7H555H555-N559 PolarHBondContact O-ND2 3.24Å
560Y34.8Very low33.4Very low168 Ų168142.9 Ų142.966%0.65970%0.696SS**Hα-helixtrans-89.9-24.4173.3-113.3-89.9000112.9E558E558-Y560 VanDerWaalsContact C-N 3.29Å; E558-Y560 PolarHBondContact O-N 3.08Å
561Q40.3Very low33.3Very low159 Ų159148 Ų14874%0.74371%0.71SS**Hα-helixtrans-90.8-24.4178.9-73.1-172.4-35.300113.4E558 R563E558-Q561 PolarHBondContact O-N 3.18Å; Q561-R563 PolarHBondContact O-N 3.1Å
562N35.9Very low33.3Very low132 Ų132151.2 Ų151.271%0.70672%0.719SS**THydrogen-bonded Turntrans-83.6-3179.8-77.2-22.4000115.5E558E558-N562 PolarHBondContact O-N 2.79Å
563R32.9Very low33.4Very low181 Ų181150 Ų15068%0.68372%0.718SS**THydrogen-bonded Turntrans-95.112.5-176.8-110.7-171.1-78-142.50.2115.8Q561Q561-R563 PolarHBondContact O-N 3.1Å
564R36.6Very low33.6Very low239 Ų239146 Ų14690%0.90270%0.704SS**  trans-8813.7177.2-84.6-166.9-177.4-171.20.9115.3
565K32.4Very low33.8Very low172 Ų172146 Ų14675%0.74870%0.697SS**SBendtrans-119.9130.1173.7-75.7179.7176.2178.40108.8
566Y31.9Very low33.9Very low221 Ų221147.3 Ų147.387%0.86770%0.703SS**  trans88.199.7176.9-52.4-75.2000117
567P31.5Very low33.7Very low113 Ų113148.4 Ų148.473%0.73471%0.707SS**  trans-85157.6157.135.4-27000109.9
568N27.8Very low33.6Very low154 Ų154144.4 Ų144.482%0.82469%0.687SS**  trans99.592174.9-57.2-14.6000115.9
569S31.2Very low33.6Very low109 Ų109143.5 Ų143.576%0.76268%0.681SS**  174.5124.2121.4380000110.3
570N28.9Very low33.2Very low148 Ų148144.4 Ų144.479%0.79169%0.694SS**  trans47.6114.4148-54.9-8.4000120.4
571E28.3Very low33.2Very low192 Ų192140.2 Ų140.290%0.89769%0.694SS**  trans39.594.8141.9-70.4178.714400118.2
572F28.6Very low33Very low192 Ų192141.1 Ų141.184%0.84269%0.692SS**  trans-138.5128.2153.9-115.1-90.9000109.2L574F572-L574 PolarHBondContact O-N 3.49Å; F572-L574 VanDerWaalsContact O-N 3.17Å
573P32.8Very low32.8Very low102 Ų102135.4 Ų135.466%0.66266%0.664SS**  trans-72114.2-176.927.2-30.1000110.2N575P573-N575 PolarHBondContact O-N 3.41Å
574L37.4Very low32.8Very low96 Ų96133.2 Ų133.250%0.50367%0.665SS.*THydrogen-bonded Turntrans-60.83.1-177.5-124100.7000115.5I14 F572I14-L574 HydrophobicContact CG1-CD2 4.23Å; F572-L574 PolarHBondContact O-N 3.49Å; F572-L574 VanDerWaalsContact O-N 3.17Å
575N37.7Very low32.7Very low85 Ų85128.6 Ų128.646%0.45565%0.653SS.*THydrogen-bonded Turntrans-84.2-9.9-173.5-136.30000113.3P573 K579P573-N575 PolarHBondContact O-N 3.41Å; N575-K579 WeakPolarHBondContact O-CD 3.28Å; N575-K579 WeakPolarHBondContact O-CG 3.46Å
576E38.3Very low33Very low146 Ų146123.5 Ų123.568%0.68264%0.636SS**THydrogen-bonded Turntrans-91.7-26.9179.3-75.3-131.6136.900114.5K579 C580E576-K579 PolarHBondContact O-N 2.94Å; E576-C580 PolarHBondContact O-N 3.44Å
577Q33.3Very low32.9Very low127 Ų127122.4 Ų122.459%0.59363%0.63SS**Hα-helixtrans-73.9-32-174.8-117.8173.33.300113
578Y34.6Very low33Very low85 Ų85124.4 Ų124.433%0.33362%0.623SS.*Hα-helixtrans-78.4-26.3173.5-77.5-80.1000112.9G12 P54 C580 A581 Y582G12-Y578 WeakPolarHBondContact O-CE2 3.42Å; G12-Y578 PolarHBondContact O-OH 2.88Å; P54-Y578 HydrophobicContact CG-CD2 4.45Å; P54-Y578 HydrophobicContact CG-CG 4.45Å; Y578-C580 PolarHBondContact O-N 3.39Å; Y578-A581 PolarHBondContact O-N 3.24Å; Y578-Y582 PolarHBondContact O-N 3.08Å
579K34.3Very low33.2Very low103 Ų103119.9 Ų119.945%0.44861%0.607SS.*Hα-helixtrans-63.3-28.2172-76.1178.3-178.6-176.60112.2N575 E576 G583N575-K579 WeakPolarHBondContact O-CD 3.28Å; N575-K579 WeakPolarHBondContact O-CG 3.46Å; E576-K579 PolarHBondContact O-N 2.94Å; K579-G583 WeakPolarHBondContact O-CA 3.3Å; K579-G583 PolarHBondContact O-N 3.33Å
580C28.4Very low33.3Very low109 Ų109117.6 Ų117.674%0.73660%0.595SS**Hα-helixtrans-76.4-26.7176.6-94.10000114.4E576 Y578E576-C580 PolarHBondContact O-N 3.44Å; Y578-C580 PolarHBondContact O-N 3.39Å
581A34.6Very low33.5Very low80 Ų80115.2 Ų115.266%0.66159%0.585SS**Hα-helixtrans-84.1-27.2-17800000113.2Y578Y578-A581 PolarHBondContact O-N 3.24Å
582Y35.8Very low33.9Very low178 Ų178110.9 Ų110.970%0.69857%0.568SS**Hα-helixtrans-116.3-10.5178.4-84.9-88.9000114.3Y578 I584Y578-Y582 PolarHBondContact O-N 3.08Å; Y582-I584 VanDerWaalsContact C-N 3.3Å; Y582-I584 PolarHBondContact O-N 3.07Å; Y582-I584 VanDerWaalsContact O-N 3.07Å
583G31.3Very low34.2Very low12 Ų12107.1 Ų107.112%0.12456%0.556CS.*THydrogen-bonded Turntrans-83.125.7-167.300000117.6K579 T586K579-G583 WeakPolarHBondContact O-CA 3.3Å; K579-G583 PolarHBondContact O-N 3.33Å; G583-T586 WeakPolarHBondContact CA-OG1 3.18Å
584I32.9Very low34.3Very low135 Ų135104.5 Ų104.569%0.69254%0.543SS*.THydrogen-bonded Turntrans-73.9-19.5161.8-66.9175.5000110.4Y582Y582-I584 VanDerWaalsContact C-N 3.3Å; Y582-I584 PolarHBondContact O-N 3.07Å; Y582-I584 VanDerWaalsContact O-N 3.07Å
585H34.5Very low34.2Very low142 Ų142102.8 Ų102.866%0.65754%0.539SS*.THydrogen-bonded Turntrans-90.6-29.2179.3-91.2-91000114.9
586T38.3Very low34.1Very low64 Ų64103.7 Ų103.739%0.39354%0.544SS..THydrogen-bonded Turntrans-81.8-27.9-175.943.10000114D74 G583 R588 A589 A590D74-T586 WeakPolarHBondContact O-CG2 3.48Å; G583-T586 WeakPolarHBondContact CA-OG1 3.18Å; T586-R588 PolarHBondContact O-N 3.48Å; T586-A589 PolarHBondContact O-N 2.98Å; T586-A590 PolarHBondContact O-N 2.8Å
587R30.7Very low33.9Very low198 Ų198100 Ų10075%0.74753%0.534SS*.Hα-helixtrans-68.5-15.1176-74.7-170.8-170.8-171.32.2114.2V591R587-V591 WeakPolarHBondContact O-CG2 3.35Å; R587-V591 PolarHBondContact O-N 2.86Å
588R32.8Very low34.1Very low155 Ų15597.6 Ų97.659%0.58553%0.532SS*.Hα-helixtrans-86.7-26.5179-118.7177.5-179.9-176.4-2.3113.4T586 I592T586-R588 PolarHBondContact O-N 3.48Å; R588-I592 WeakPolarHBondContact O-CD1 3.22Å; R588-I592 WeakPolarHBondContact O-CG1 3.39Å
589A33.2Very low33.9Very low59 Ų59100.4 Ų100.449%0.48855%0.552SS.*Hα-helixtrans-76.5-42.2173.400000111T586 V591 I592 D593T586-A589 PolarHBondContact O-N 2.98Å; A589-V591 VanDerWaalsContact C-N 3.27Å; A589-V591 PolarHBondContact O-N 2.99Å; A589-I592 PolarHBondContact O-N 3.33Å; A589-I592 VanDerWaalsContact O-N 3.11Å; A589-D593 PolarHBondContact O-N 3.32Å
590A33Very low33.9Very low61 Ų61103.5 Ų103.550%0.50457%0.568SS.*Hα-helixtrans-65.1-25.8175.600000114T586 A594T586-A590 PolarHBondContact O-N 2.8Å; A590-A594 WeakPolarHBondContact O-CB 3.49Å; A590-A594 PolarHBondContact O-N 3.3Å
591V33Very low34.1Very low98 Ų98106.4 Ų106.459%0.59457%0.57SS**Hα-helixtrans-79.7-23.5175.7170.60000112.1R587 A589 S595R587-V591 WeakPolarHBondContact O-CG2 3.35Å; R587-V591 PolarHBondContact O-N 2.86Å; A589-V591 VanDerWaalsContact C-N 3.27Å; A589-V591 PolarHBondContact O-N 2.99Å; V591-S595 WeakPolarHBondContact O-CB 3.43Å; V591-S595 PolarHBondContact O-N 2.9Å; V591-S595 PolarHBondContact O-OG 3.45Å
592I36.5Very low33.8Very low102 Ų102110 Ų11052%0.52358%0.576SS.*Hα-helixtrans-81.4-37.8174.2-65.7168.5000110.1R588 A589 S595 N596R588-I592 WeakPolarHBondContact O-CD1 3.22Å; R588-I592 WeakPolarHBondContact O-CG1 3.39Å; A589-I592 PolarHBondContact O-N 3.33Å; A589-I592 VanDerWaalsContact O-N 3.11Å; I592-S595 WeakPolarHBondContact CA-OG 3.45Å; I592-S595 PolarHBondContact O-N 3.29Å; I592-S595 PolarHBondContact O-OG 3.48Å; I592-N596 PolarHBondContact O-N 2.97Å; I592-N596 PolarHBondContact O-ND2 3.47Å
593D35.8Very low33.5Very low112 Ų112108 Ų10860%0.59958%0.577SS**Hα-helixtrans-69.3-36.2170.2-78.2-19.6000112A589 N596 S597A589-D593 PolarHBondContact O-N 3.32Å; D593-N596 PolarHBondContact O-N 3.45Å; D593-S597 WeakPolarHBondContact O-CB 3.42Å; D593-S597 PolarHBondContact O-N 3Å
594A34.8Very low33.5Very low48 Ų48114.8 Ų114.840%0.39761%0.61SS.*Hα-helixtrans-68-33.1171.900000112.4A590 N596 S598A590-A594 WeakPolarHBondContact O-CB 3.49Å; A590-A594 PolarHBondContact O-N 3.3Å; A594-N596 VanDerWaalsContact C-N 3.3Å; A594-N596 PolarHBondContact O-N 2.75Å; A594-S598 VanDerWaalsContact O-CB 3.25Å; A594-S598 WeakPolarHBondContact O-CB 3.37Å; A594-S598 PolarHBondContact O-N 3.02Å; A594-S598 PolarHBondContact O-OG 3.05Å
595S33.7Very low33.5Very low60 Ų60116.1 Ų116.142%0.4262%0.619SS.*Hα-helixtrans-71.7-24175.959.50000113.8V591 I592V591-S595 WeakPolarHBondContact O-CB 3.43Å; V591-S595 PolarHBondContact O-N 2.9Å; V591-S595 PolarHBondContact O-OG 3.45Å; I592-S595 WeakPolarHBondContact CA-OG 3.45Å; I592-S595 PolarHBondContact O-N 3.29Å; I592-S595 PolarHBondContact O-OG 3.48Å
596N36.8Very low33.2Very low103 Ų103116.4 Ų116.455%0.55163%0.625SS**Hα-helixtrans-92-32.5176.1-68.3-20.8000111.9I592 D593 A594 L599I592-N596 PolarHBondContact O-N 2.97Å; I592-N596 PolarHBondContact O-ND2 3.47Å; D593-N596 PolarHBondContact O-N 3.45Å; A594-N596 VanDerWaalsContact C-N 3.3Å; A594-N596 PolarHBondContact O-N 2.75Å; N596-L599 PolarHBondContact O-N 3.37Å
597S34.7Very low32.9Very low68 Ų68120.3 Ų120.348%0.47664%0.644SS.*Hα-helixtrans-74.6-20.3172.7161.80000113.8D593 L599D593-S597 WeakPolarHBondContact O-CB 3.42Å; D593-S597 PolarHBondContact O-N 3Å; S597-L599 VanDerWaalsContact C-N 3.34Å
598S36.2Very low32.9Very low77 Ų77117.8 Ų117.854%0.53865%0.645SS.*THydrogen-bonded Turntrans-85-8.2174.1-52.10000113.2A594A594-S598 VanDerWaalsContact O-CB 3.25Å; A594-S598 WeakPolarHBondContact O-CB 3.37Å; A594-S598 PolarHBondContact O-N 3.02Å; A594-S598 PolarHBondContact O-OG 3.05Å
599L31.6Very low32.6Very low145 Ų145116.9 Ų116.976%0.75966%0.661SS**SBendtrans-93.7-16.3176.1-118.895.8000113N596 S597N596-L599 PolarHBondContact O-N 3.37Å; S597-L599 VanDerWaalsContact C-N 3.34Å
600E34.3Very low32.6Very low168 Ų168120.9 Ų120.979%0.78567%0.67SS**SBendtrans-95.45.7-178.7-73.2-177.9154.500113.7
601Q31.8Very low32.6Very low169 Ų169121.6 Ų121.679%0.7967%0.671SS**SBendtrans-12416179.9-108.4176.4-20.800114.4
602M28.8Very low32.6Very low157 Ų157123.4 Ų123.477%0.77368%0.676SS**  trans-107.566.6171.9-68.7-17584.100110
603N29.8Very low32.4Very low135 Ų135121.5 Ų121.572%0.72268%0.682SS**  trans-126.8136154.4-80.3-27.8000105.4
604D30.7Very low32.5Very low154 Ų154122.2 Ų122.282%0.82468%0.68SS**SBendtrans88.1128.3-179.9-48.7-33.8000115.6
605D32.6Very low32.5Very low163 Ų163123.4 Ų123.487%0.87269%0.685SS**  trans91.186.4171.9-56.2-23.2000118.4
606D28.4Very low32.6Very low149 Ų149126.5 Ų126.580%0.79770%0.697SS**  trans-49.9150.2158.3-70.1-55.4000113.7
607N32.3Very low32.7Very low146 Ų146129.2 Ų129.278%0.78170%0.703SS**  trans82.795.9169.6-47.3-62.2000116
608D30.8Very low32.7Very low145 Ų145129.1 Ų129.178%0.77570%0.703SS**  trans163.433.1142.6-83.2-17.3000114.1E610D608-E610 VanDerWaalsContact C-N 3.3Å; D608-E610 PolarHBondContact O-N 3.12Å; D608-E610 VanDerWaalsContact O-N 3.1Å
609C26.8Very low32.8Very low135 Ų135132.2 Ų132.291%0.91271%0.708SS**THydrogen-bonded Turntrans-86.557.5174.4-90.90000113.4
610E32.1Very low33.1Very low144 Ų144130.3 Ų130.367%0.67370%0.699SS**THydrogen-bonded Turntrans-134.80.1163.1-136.1-162.8135.100114.5D608 K614D608-E610 VanDerWaalsContact C-N 3.3Å; D608-E610 PolarHBondContact O-N 3.12Å; D608-E610 VanDerWaalsContact O-N 3.1Å; E610-K614 IonicContact OE1-NZ 2.75Å; E610-K614 PolarHBondContact OE1-NZ 3.09Å
611S33.5Very low33.5Very low76 Ų76127.5 Ų127.553%0.53169%0.686SS.*SBendtrans-104.6-32-17580.50000114.6K614 S615S611-K614 PolarHBondContact O-N 3.41Å; S611-S615 PolarHBondContact O-N 3.15Å
612L32.2Very low33.7Very low135 Ų135127 Ų12771%0.70768%0.678SS**Hα-helixtrans-74.1-31.1-178.4-96.8103000114.1K614L612-K614 VanDerWaalsContact C-N 3.29Å; L612-K614 PolarHBondContact O-N 3.44Å
613G33.6Very low34.3Very low62 Ų62123.5 Ų123.564%0.63967%0.665SS**Hα-helixtrans-71.9-20.3176.500000114.2
614K37Very low34.8Very low127 Ų127123.2 Ų123.255%0.55266%0.659SS**Hα-helixtrans-88.7-26.7178-67.5175.1-173.4162.80112E610 S611 L612 S618E610-K614 IonicContact OE1-NZ 2.75Å; E610-K614 PolarHBondContact OE1-NZ 3.09Å; S611-K614 PolarHBondContact O-N 3.41Å; L612-K614 VanDerWaalsContact C-N 3.29Å; L612-K614 PolarHBondContact O-N 3.44Å; K614-S618 PolarHBondContact O-N 3.4Å; K614-S618 PolarHBondContact O-OG 3.31Å
615S34Very low35Very low73 Ų73124.2 Ų124.251%0.5165%0.651SS.*Hα-helixtrans-74.6-38.3179-165.80000113.6S611 K617 S618 E619S611-S615 PolarHBondContact O-N 3.15Å; S615-K617 VanDerWaalsContact C-N 3.33Å; S615-K617 PolarHBondContact O-N 3.22Å; S615-S618 PolarHBondContact O-OG 3.43Å; S615-E619 PolarHBondContact O-N 3.11Å
616L37.3Very low35.3Very low126 Ų126120.7 Ų120.766%0.6663%0.632SS**Hα-helixtrans-72.3-26.2176.3-115.9105.5000113.2L620L616-L620 PolarHBondContact O-N 2.71Å
617K37.2Very low35.5Very low160 Ų160123.6 Ų123.670%0.69663%0.632SS**Hα-helixtrans-79.8-26.8179.2-127.3174.3-176.8178.20112.4S615 Q621S615-K617 VanDerWaalsContact C-N 3.33Å; S615-K617 PolarHBondContact O-N 3.22Å; K617-Q621 PolarHBondContact O-N 3.5Å
618S35.6Very low35.7Very low66 Ų66125.2 Ų125.246%0.46263%0.632SS.*Hα-helixtrans-81.5-33.9175.858.60000112.8K614 S615 Q621 Y622K614-S618 PolarHBondContact O-N 3.4Å; K614-S618 PolarHBondContact O-OG 3.31Å; S615-S618 PolarHBondContact O-OG 3.43Å; S618-Q621 PolarHBondContact O-N 3.37Å; S618-Y622 PolarHBondContact O-N 2.95Å
619E38.2Very low35.9Very low141 Ų141122 Ų12266%0.65962%0.621SS**Hα-helixtrans-67.3-38.2173.2-89.8-124.7129.600113.3S615 Q621 Y622 T623S615-E619 PolarHBondContact O-N 3.11Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; E619-Y622 PolarHBondContact O-N 2.95Å; E619-T623 PolarHBondContact O-N 3.16Å; E619-T623 PolarHBondContact O-OG1 3.46Å
620L38.9Very low36.2Very low106 Ų106120.1 Ų120.156%0.55561%0.61SS**Hα-helixtrans-68.9-31174.1-94.6148000112.6L616 T623 E624L616-L620 PolarHBondContact O-N 2.71Å; L620-T623 PolarHBondContact O-OG1 2.83Å; L620-E624 PolarHBondContact O-N 2.84Å
621Q42.3Very low36.2Very low109 Ų109118.9 Ų118.951%0.50961%0.612SS.*Hα-helixtrans-79.3-25.2174.7-81.3-172.1-9.300114K617 S618 E619 R625K617-Q621 PolarHBondContact O-N 3.5Å; S618-Q621 PolarHBondContact O-N 3.37Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; Q621-R625 VanDerWaalsContact O-CG 3.32Å; Q621-R625 WeakPolarHBondContact O-CG 3.23Å; Q621-R625 PolarHBondContact O-N 3.47Å
622Y35.6Very low36Very low159 Ų159120.8 Ų120.862%0.62462%0.62SS**Hα-helixtrans-76-40.7176-172-105.8000111.7S618 E619 E624 R625 L626S618-Y622 PolarHBondContact O-N 2.95Å; E619-Y622 PolarHBondContact O-N 2.95Å; Y622-E624 PolarHBondContact O-N 3.05Å; Y622-R625 PolarHBondContact O-N 2.82Å; Y622-L626 HydrophobicContact CD1-CD1 3.8Å; Y622-L626 HydrophobicContact CE1-CD1 3.39Å; Y622-L626 PolarHBondContact O-N 2.63Å
623T41.7Very low36Very low83 Ų83122 Ų12251%0.50963%0.628SS.*Hα-helixtrans-69.4-30.1176.848.60000113.2E619 L620E619-T623 PolarHBondContact O-N 3.16Å; E619-T623 PolarHBondContact O-OG1 3.46Å; L620-T623 PolarHBondContact O-OG1 2.83Å
624E39.2Very low35.9Very low128 Ų128124.8 Ų124.860%0.59864%0.637SS**Hα-helixtrans-78.3-27172.4-85.1-176.3141.600114.5L620 Y622L620-E624 PolarHBondContact O-N 2.84Å; Y622-E624 PolarHBondContact O-N 3.05Å
625R35.7Very low35.6Very low175 Ų175124.4 Ų124.466%0.6665%0.65SS**Hα-helixtrans-75.6-35.6175-76.6-178.2-145.2-153.66.7112.7Q621 Y622 R627 K628Q621-R625 VanDerWaalsContact O-CG 3.32Å; Q621-R625 WeakPolarHBondContact O-CG 3.23Å; Q621-R625 PolarHBondContact O-N 3.47Å; Y622-R625 PolarHBondContact O-N 2.82Å; R625-R627 VanDerWaalsContact C-N 3.27Å; R625-R627 PolarHBondContact O-N 3.26Å; R625-K628 PolarHBondContact O-N 2.84Å
626L39Very low35.3Very low90 Ų90124.2 Ų124.247%0.47166%0.66SS.*Hα-helixtrans-70.5-21.7175-77.6164.4000113.4Y622 S629 S630Y622-L626 HydrophobicContact CD1-CD1 3.8Å; Y622-L626 HydrophobicContact CE1-CD1 3.39Å; Y622-L626 PolarHBondContact O-N 2.63Å; L626-S629 PolarHBondContact O-OG 3.4Å; L626-S630 PolarHBondContact O-OG 3.14Å
627R32.2Very low35Very low209 Ų209127.5 Ų127.579%0.78967%0.672SS**THydrogen-bonded Turntrans-80.5-17.9176.3-166.2178.3174.3105.6-0113.5R625R625-R627 VanDerWaalsContact C-N 3.27Å; R625-R627 PolarHBondContact O-N 3.26Å
628K37Very low34.5Very low181 Ų181127.5 Ų127.579%0.78767%0.674SS**SBendtrans-100.6-4.6-178.2-78-179.4177175.30114.3R625R625-K628 PolarHBondContact O-N 2.84Å
629S34.8Very low34.4Very low78 Ų78132.7 Ų132.755%0.54569%0.694SS.*SBendtrans-103.82.2-17957.80000115L626L626-S629 PolarHBondContact O-OG 3.4Å
630S33.1Very low34Very low95 Ų95132.1 Ų132.166%0.66470%0.696SS**SBendtrans-104.415.9-175.8-35.60000115L626L626-S630 PolarHBondContact O-OG 3.14Å
631T32.6Very low33.5Very low117 Ų117132 Ų13272%0.71870%0.704SS**SBendtrans-133.759.4-178.155.30000111.9
632T29.8Very low32.9Very low116 Ų116134.4 Ų134.471%0.71272%0.719SS**  trans-153.7135.5166.747.40000109.6
633N30.3Very low32.5Very low162 Ų162135.4 Ų135.487%0.86673%0.729SS**  trans86.795.7172-56.3-12000117.4
634S32.3Very low32.1Very low120 Ų120137.1 Ų137.184%0.83974%0.739SS**  174.412298.9-169.90000111
635S29.8Very low31.7Very low118 Ų118136.5 Ų136.583%0.82575%0.749SS**  trans-7114917146.50000112.9
636G29.3Very low31.3Very low69 Ų69138.4 Ų138.471%0.71176%0.756SS**  trans137.8118.7147.700000117.2
637H30.5Very low30.9Very low196 Ų196145.5 Ų145.591%0.90778%0.777SS**  trans85.8103.3151.6-74.8-74.9000121.8
638H26.9Very low30.7Very low160 Ų160140.7 Ų140.774%0.74177%0.765SS**  trans-26.7138.9141.2-96.8-95.4000115.2
639I33.3Very low30.4Very low174 Ų174140.2 Ų140.289%0.89277%0.77SS**  -157.9139.2127-90.6144000108.9
640N29.4Very low30.1Very low130 Ų130142.1 Ų142.170%0.69577%0.774SS**  trans-74.6160.3-170.7-72.6-37.4000115.2
641S27.7Very low29.9Very low104 Ų104143.7 Ų143.773%0.72778%0.775SS**  trans71.3116.6140.5-166.10000118.4
642I30.9Very low29.7Very low158 Ų158144.5 Ų144.581%0.8178%0.775SS**  -156.7129113.8-88.5144.7000108
643H27.5Very low29.8Very low181 Ų181150.4 Ų150.484%0.83879%0.786SS**  trans-108.8119.4-174.7-157.4-63.5000108
644T33.2Very low29.7Very low118 Ų118151.8 Ų151.872%0.72479%0.786SS**  trans-163.3141165.141.60000107.1
645S31.2Very low29.6Very low115 Ų115157.6 Ų157.680%0.80479%0.79SS**  cis-161152.5-8.5-95.50000107.8
646R27.5Very low29.5Very low215 Ų215159.6 Ų159.681%0.81178%0.784SS**  trans-64.1151.3179.9-161.4-176.2-137-165.91.5114.1I648R646-I648 HydrophobicContact CG-CD1 4.04Å; R646-I648 HydrophobicContact CG-CG1 4.29Å
647R29.5Very low29.5Very low240 Ų240162 Ų16291%0.90679%0.787SS**  trans170.3102.6137.7-94.6176.4-162.3-155.75.3107.5
648I27.3Very low29.3Very low107 Ų107156.9 Ų156.955%0.54977%0.773SS.*  44.2101.673.8-50.8175.2000111.7R646R646-I648 HydrophobicContact CG-CD1 4.04Å; R646-I648 HydrophobicContact CG-CG1 4.29Å
649I31.9Very low29.4Very low172 Ų172157.2 Ų157.288%0.88278%0.775SS**  -147130129.1-61.4-167.1000107.8
650D28.3Very low29.2Very low118 Ų118156.4 Ų156.463%0.63177%0.771SS**  trans-81.9162.1-168.2-64.2-60.7000115.9
651N28.5Very low28.9Very low128 Ų128154 Ų15468%0.68476%0.764SS**  66.3134129.5-73.8-16.8000123.9
652N28.2Very low28.9Very low133 Ų133159.1 Ų159.171%0.71177%0.77SS**  trans79.6102.9142.6-64.1-18.2000119.3
653Y31.7Very low28.7Very low241 Ų241157 Ų15795%0.94577%0.766SS**  -15398.4127.9-96.7-75.8000109.9
654H29.3Very low28.9Very low190 Ų190156 Ų15688%0.8877%0.765SS**  trans-118.2115158.8-126.6-63.4000106.5
655R29.3Very low28.6Very low242 Ų242158 Ų15891%0.91377%0.766SS**  trans-167.2113.7153.9-122.1-179.6-169.8-167.12.2110.5
656K27.7Very low28.4Very low161 Ų161163.6 Ų163.670%0.777%0.771SS**  trans-67.9164.4151.9-78.5178.4171.8173.70108D138D138-K656 IonicContact OD1-NZ 3.47Å; D138-K656 PolarHBondContact OD1-NZ 3.27Å
657P30.7Very low28.4Very low118 Ų118161.5 Ų161.577%0.76677%0.771SS**  -143.1138.490.831.6-12.1000115
658S25.8Very low28.3Very low89 Ų89155.1 Ų155.162%0.62276%0.763SS**  trans27.9145.9134.467.20000123.9
659H27.7Very low28.3Very low167 Ų167157.3 Ų157.377%0.77378%0.776SS**  trans87.8102.7150.5-75.3-74.2000120.1
660L29Very low28.3Very low157 Ų157158.7 Ų158.782%0.82278%0.778SS**  172.9102.7122.7-11868.1000106.5
661S24.1Very low28.3Very low79 Ų79160 Ų16055%0.55279%0.785SS**  47.3102.579.9-47.90000113
662Y27.4Very low28.6Very low213 Ų213158.5 Ų158.584%0.83578%0.783SS**  163.7144.4113.7-83.4-70.4000111.3
663P27.4Very low28.6Very low114 Ų114157.5 Ų157.574%0.7479%0.786SS**  trans-89152.9-179.636.9-30.2000110.8
664I30.9Very low28.6Very low158 Ų158151.6 Ų151.681%0.8178%0.78SS**  trans-128.7105.5168.2-58.1-177.9000110.5
665E26.3Very low28.7Very low162 Ų162148.5 Ų148.576%0.75777%0.774SS**  trans-61.8126.8158.3-169.9166.5-158.700109.4Q667E665-Q667 PolarHBondContact O-N 3.17Å; E665-Q667 VanDerWaalsContact O-N 3.17Å
666Y28Very low28.9Very low231 Ų231144.9 Ų144.991%0.90677%0.772SS**  trans-78.793.3170-98.8-93.7000108.8
667Q26.7Very low29Very low172 Ų172144.3 Ų144.380%0.80477%0.772SS**  trans-114.4101.4154.6-92.8-176.6-11.500108.1E665E665-Q667 PolarHBondContact O-N 3.17Å; E665-Q667 VanDerWaalsContact O-N 3.17Å
668S29Very low29.1Very low106 Ų106149.7 Ų149.774%0.74178%0.779SS**  trans-88.8104.5169.858.50000109.4
669N26Very low29.5Very low153 Ų153153.8 Ų153.882%0.81879%0.788SS**  trans-149.4106.8157.1-102.6-12000107.7
670H31.7Very low29.7Very low200 Ų200151.7 Ų151.793%0.92679%0.787SS**  trans-169.6111.4144.1-99.5-59.6000110.5
671N28.4Very low30Very low145 Ų145150 Ų15078%0.77579%0.786SS**  trans-73.8174.2147-134.84.8000107.8
672P34.6Very low30.4Very low98 Ų98152 Ų15264%0.63679%0.794SS**  cis-144178.6-0.142.4-22.5000116.1
673S29.3Very low31Very low111 Ų111147.6 Ų147.678%0.77679%0.792SS**  trans64.9107.9144-57.80000122.2
674S32.4Very low31.7Very low118 Ų118147.8 Ų147.883%0.82579%0.793SS**  -169.898124.360.20000112.6
675V30.2Very low32Very low124 Ų124146 Ų14675%0.75279%0.792SS**  trans10.1122.8142.6-173.30000119.3
676L34.4Very low32.3Very low167 Ų167145.9 Ų145.987%0.87479%0.791SS**  trans-152.5110.4132.6-115149.8000109.4
677Q28.1Very low32.7Very low149 Ų149143.1 Ų143.170%0.69679%0.786SS**  trans-72.1138.1178.2-99165.6-5700111.9
678Y33.5Very low33.1Very low231 Ų231142.7 Ų142.791%0.90679%0.785SS**  trans-142.9137.8137.2-90.5-78.2000108.8
679E34.6Very low33.6Very low175 Ų175143.2 Ų143.282%0.81878%0.775SS**  trans-77.9158.3-160.8-70.9166.6124.100116.5
680T30.9Very low34.2Very low123 Ų123143.1 Ų143.176%0.75577%0.77SS**  trans-61.4168.5-177.9-0.80000117.1
681P35.6Very low34.5Very low122 Ų122139.8 Ų139.879%0.79275%0.754SS**  -142.1124.588.927.3-5.5000117.1
682T33.9Very low34.8Very low119 Ų119141 Ų14173%0.7375%0.748SS**  trans27.1127.5143450000122.6
683P38.8Very low35Very low122 Ų122144.3 Ų144.379%0.79275%0.748SS**PPolyproline II helixtrans-100.7158156.236.6-26.9000113.2
684P43.6Very low35.6Very low117 Ų117145.4 Ų145.476%0.7674%0.741SS**PPolyproline II helixtrans-82.2170.8-176.536.3-35.4000113.1
685P35.5Very low35.9Very low121 Ų121145.6 Ų145.679%0.78673%0.728SS**PPolyproline II helixtrans-82.7132.3-150.131.7-32.8000114.9Q687P685-Q687 PolarHBondContact O-N 3.06Å
686Q33.1Very low36.4Very low159 Ų159146.1 Ų146.174%0.74372%0.723SS**  trans-81.289.5171-70.2177.5-3.200110.7
687Q35.9Very low36.6Very low173 Ų173144.6 Ų144.681%0.80871%0.711SS**  trans-122.32.4167.1-87.1-175.3-9.500114.6P685P685-Q687 PolarHBondContact O-N 3.06Å
688Q36Very low36.9Very low164 Ų164140.1 Ų140.177%0.76670%0.697SS**SBendtrans-110.3-2.5177.5-95.4173.9-7.600115.6
689Q39.3Very low37Very low117 Ų117133.5 Ų133.555%0.54768%0.677SS.*Hα-helixtrans-98.7-18.2-178.6-106.7171.3-7.800114.6R693Q689-R693 WeakPolarHBondContact O-CG 3.27Å
690Q38.8Very low37Very low150 Ų150128 Ų12870%0.70166%0.658SS**Hα-helixtrans-81.9-35.6175.2-101.8172.9-19.700112.7R692 R693 Q694Q690-R692 VanDerWaalsContact C-N 3.34Å; Q690-R692 PolarHBondContact O-N 3.08Å; Q690-R693 PolarHBondContact O-N 2.92Å; Q690-Q694 PolarHBondContact O-N 2.72Å
691H37.4Very low37.3Very low130 Ų130128.7 Ų128.760%0.60266%0.656SS**Hα-helixtrans-67-34.8175-109.9-56.7000112.7R693 Q694 Q695H691-R693 VanDerWaalsContact C-N 3.32Å; H691-R693 PolarHBondContact O-N 3.29Å; H691-Q694 PolarHBondContact O-N 3.11Å; H691-Q695 PolarHBondContact O-N 3.34Å
692R35.4Very low37.3Very low170 Ų170128.5 Ų128.564%0.64265%0.647SS**Hα-helixtrans-69.5-27.3177.8-129.7-173.7-80-154.4-2.7113.2Q690 Q696Q690-R692 VanDerWaalsContact C-N 3.34Å; Q690-R692 PolarHBondContact O-N 3.08Å; R692-Q696 PolarHBondContact O-N 3.35Å
693R38.6Very low37.3Very low169 Ų169127.6 Ų127.664%0.63864%0.642SS**Hα-helixtrans-77.1-29.7176.2-71.7-178-163.7-173.45.1113.1Q689 Q690 H691Q689-R693 WeakPolarHBondContact O-CG 3.27Å; Q690-R693 PolarHBondContact O-N 2.92Å; H691-R693 VanDerWaalsContact C-N 3.32Å; H691-R693 PolarHBondContact O-N 3.29Å
694Q40.9Very low37.1Very low133 Ų133130.2 Ų130.262%0.62164%0.637SS**Hα-helixtrans-78.8-30.7174.8-71.9-178.8-3.500112.1Q690 H691 S698Q690-Q694 PolarHBondContact O-N 2.72Å; H691-Q694 PolarHBondContact O-N 3.11Å; Q694-S698 PolarHBondContact O-N 2.84Å
695Q40.2Very low36.5Very low122 Ų122128.5 Ų128.557%0.5763%0.628SS**Hα-helixtrans-79.3-29178-134.2140.8500113.3H691 Q697 S698 D699H691-Q695 PolarHBondContact O-N 3.34Å; Q695-Q697 VanDerWaalsContact C-N 3.34Å; Q695-S698 PolarHBondContact O-N 2.85Å; Q695-S698 PolarHBondContact O-OG 3.31Å; Q695-D699 PolarHBondContact O-N 3.14Å
696Q40.2Very low36.2Very low135 Ų135126.9 Ų126.963%0.63162%0.62SS**Hα-helixtrans-73.8-22.8171.1-84.3176.2-27.300113.6R692 S700R692-Q696 PolarHBondContact O-N 3.35Å; Q696-S700 WeakPolarHBondContact O-CB 3Å; Q696-S700 PolarHBondContact O-N 3.41Å; Q696-S700 PolarHBondContact O-OG 3.21Å
697Q38.4Very low36.2Very low136 Ų136128.3 Ų128.364%0.63662%0.623SS**Hα-helixtrans-74.9-32.7172.3-88176.5-20.600112.3Q695 S700Q695-Q697 VanDerWaalsContact C-N 3.34Å; Q697-S700 PolarHBondContact O-OG 2.99Å
698S34.8Very low36Very low55 Ų55124.2 Ų124.239%0.38561%0.61SS.*Hα-helixtrans-72.5-34.3173.252.30000113.2Q694 Q695 L701Q694-S698 PolarHBondContact O-N 2.84Å; Q695-S698 PolarHBondContact O-N 2.85Å; Q695-S698 PolarHBondContact O-OG 3.31Å; S698-L701 PolarHBondContact O-N 2.77Å
699D34.8Very low35.8Very low92 Ų92122.8 Ų122.849%0.49261%0.608SS.*Hα-helixtrans-80.5-23.2-179.7-63.4-13.9000112.6Q695 L701 I702 T703Q695-D699 PolarHBondContact O-N 3.14Å; D699-L701 VanDerWaalsContact C-N 3.32Å; D699-I702 PolarHBondContact O-N 3.3Å; D699-T703 PolarHBondContact O-N 3.45Å; D699-T703 PolarHBondContact O-OG1 3.4Å
700S36Very low35.4Very low60 Ų60124.3 Ų124.342%0.4262%0.619SS.*Hα-helixtrans-72.2-23.3171.369.70000113.5Q696 Q697 Y704Q696-S700 WeakPolarHBondContact O-CB 3Å; Q696-S700 PolarHBondContact O-N 3.41Å; Q696-S700 PolarHBondContact O-OG 3.21Å; Q697-S700 PolarHBondContact O-OG 2.99Å; S700-Y704 WeakPolarHBondContact O-CD2 3.49Å
701L35.5Very low35.1Very low137 Ų137126.2 Ų126.272%0.71762%0.621SS**Hα-helixtrans-78.4-21.7172.4-89153.7000112.7S698 D699S698-L701 PolarHBondContact O-N 2.77Å; D699-L701 VanDerWaalsContact C-N 3.32Å
702I36.2Very low34.8Very low117 Ų117128.2 Ų128.260%0.664%0.635SS**Hα-helixtrans-89.6-25.7179.5-61.3169.9000111.2D699 S705D699-I702 PolarHBondContact O-N 3.3Å; I702-S705 WeakPolarHBondContact O-CB 3.38Å; I702-S705 PolarHBondContact O-N 3.16Å
703T33.6Very low34.5Very low101 Ų101124 Ų12462%0.6263%0.632SS**Hα-helixtrans-80.1-16.7177.9-47.50000113.3D699 S705D699-T703 PolarHBondContact O-N 3.45Å; D699-T703 PolarHBondContact O-OG1 3.4Å; T703-S705 PolarHBondContact O-N 3.43Å
704Y34.4Very low34.2Very low176 Ų176120.6 Ų120.669%0.6963%0.634SS**THydrogen-bonded Turntrans-73.4-10.5167.8-93.5-89.1000113.4S700S700-Y704 WeakPolarHBondContact O-CD2 3.49Å
705S31.4Very low33.9Very low82 Ų82122.2 Ų122.257%0.57365%0.645SS**THydrogen-bonded Turntrans-89.5-2177.6-166.80000114.2I702 T703 T708I702-S705 WeakPolarHBondContact O-CB 3.38Å; I702-S705 PolarHBondContact O-N 3.16Å; T703-S705 PolarHBondContact O-N 3.43Å; S705-T708 PolarHBondContact O-OG1 3.29Å; S705-T708 VanDerWaalsContact O-OG1 3.07Å
706S30Very low33.3Very low87 Ų87121.9 Ų121.961%0.60865%0.651SS**SBendtrans-108.9-1.6-175.8172.40000113.8
707K32.3Very low32.7Very low189 Ų189121.1 Ų121.182%0.82266%0.66SS**SBendtrans-104.110.2173.5-81.1-173.7174.4-176.80113.4
708T32.8Very low32.3Very low86 Ų86123.9 Ų123.953%0.52867%0.672SS.*  trans-90.2-1.5177.438.10000114S705 L710S705-T708 PolarHBondContact O-OG1 3.29Å; S705-T708 VanDerWaalsContact O-OG1 3.07Å; T708-L710 PolarHBondContact O-N 3.24Å
709D30Very low32.3Very low134 Ų134127.4 Ų127.472%0.71770%0.697SS**THydrogen-bonded Turntrans-95.115.9-171.8-66.2-23.1000115.3
710L31.5Very low32Very low150 Ų150131.9 Ų131.979%0.78572%0.715SS**THydrogen-bonded Turntrans-125.67.9179.9-92.6157.2000115.2T708T708-L710 PolarHBondContact O-N 3.24Å
711Y31.8Very low32Very low190 Ų190136.6 Ų136.675%0.74573%0.734SS**SBendtrans-111.58.1179.3-92.3-92.2000114.3
712L31.5Very low32Very low172 Ų172137.7 Ų137.790%0.90174%0.74SS**THydrogen-bonded Turntrans-92.18.3-177.6-132.983.9000114.8
713S29.6Very low31.8Very low82 Ų82137 Ų13757%0.57374%0.743SS**THydrogen-bonded Turntrans-111.27.4-175.954.40000115.3
714S31.3Very low31.7Very low96 Ų96141.3 Ų141.367%0.67176%0.756SS**SBendtrans-114.415-172.2-44.20000115.6
715I34.9Very low31.7Very low168 Ų168138.3 Ų138.386%0.86276%0.761SS**SBendtrans-106.80.4179.7-65.6178.1000113
716T28.7Very low31.6Very low114 Ų114139.8 Ų139.870%0.69977%0.768SS**  trans-112.2134176.643.10000110.8
717C26.5Very low31.6Very low120 Ų120140.8 Ų140.881%0.81178%0.776SS**  trans101.288.8171.3-59.10000116.7
718H30.8Very low31.5Very low194 Ų194140.1 Ų140.190%0.89878%0.778SS**  -168.9104.2126.8-105.8-67.6000109.6
719S35.1Very low31.3Very low128 Ų128145 Ų14590%0.89579%0.792SS**  trans173.975.7144.4-75.50000109.5
720E28.5Very low31.1Very low187 Ų187145 Ų14587%0.87479%0.792SS**  trans-76.8127.3150.8-95.3-177.813900107.8
721L36.1Very low31Very low159 Ų159145.8 Ų145.883%0.83279%0.791SS**  trans170.2101.4136.2-90.6160.3000110.6
722L34.6Very low31.1Very low160 Ų160143.7 Ų143.784%0.83879%0.788SS**  trans135.4134.5131.6-74.5162000115
723P32.9Very low30.9Very low102 Ų102143.3 Ų143.366%0.66279%0.786SS**  trans-102.7175.1-166.540.5-33.8000114.2
724Q31.3Very low30.9Very low191 Ų191146.4 Ų146.489%0.89380%0.797SS**  trans94.7126.8172.6-54.3172.213.900113.2
725S33.4Very low30.9Very low114 Ų114148.1 Ų148.180%0.79780%0.797SS**  cis-159.2164.622.751.30000111.1
726P31Very low30.7Very low112 Ų112145.8 Ų145.873%0.72779%0.793SS**  trans-97.4157.1-166.937.5-31.9000115.1
727S29.9Very low30.6Very low109 Ų109147.1 Ų147.176%0.76280%0.796SS**  trans55.8124.2145.164.60000120.8
728M30.1Very low31Very low174 Ų174147.6 Ų147.686%0.85780%0.795SS**  -156.3114.7118.1-127-177.67600111.3
729F27.4Very low31Very low189 Ų189145.4 Ų145.483%0.82979%0.79SS**  trans-81.1160.7159.2-108.8-102.6000108.7
730D27.3Very low30.6Very low135 Ų135143.4 Ų143.472%0.72278%0.78SS**  trans87.3148.9161.2-59.2-34.4000120
731E29.2Very low30.8Very low165 Ų165141.1 Ų141.177%0.77178%0.779SS**  trans88.3119.2176-76.4-17179.200117.1
732Q32.7Very low30.3Very low146 Ų146139 Ų13968%0.68277%0.774SS**  cis-152.1132.66.1-65-162.2-18.700110.7
733L27.2Very low30.1Very low164 Ų164137.7 Ų137.786%0.85977%0.772SS**  trans-81.7119.1146.4-124.7113.6000106
734N30.4Very low29.8Very low147 Ų147138.3 Ų138.379%0.78677%0.774SS**  trans-153.6122.9154.3-129.4-5.1000112.7
735I30.2Very low29.8Very low132 Ų132135.2 Ų135.268%0.67777%0.768SS**  trans-77.4150.8175-59.7158.9000107.8
736P31.3Very low29.7Very low119 Ų119135.1 Ų135.177%0.77376%0.763SS**  -138.9137.3111.221.8-1.7000114.2
737N27.2Very low29.6Very low143 Ų143135.3 Ų135.377%0.76576%0.762SS**  trans-45.4137.1152.1-86.1-24.4000111.5
738V34.7Very low29.8Very low130 Ų130136.9 Ų136.979%0.78876%0.762SS**  trans-144.799.6141.3-1770000109.3
739D30.7Very low29.7Very low148 Ų148133.1 Ų133.179%0.79175%0.753SS**  trans41134.2133.1-59.3-34.2000123.8
740A26.9Very low30.1Very low85 Ų85132 Ų13270%0.70276%0.756SS**  trans-56.8148.6168.400000114.8
741T31.8Very low30.2Very low139 Ų139132.2 Ų132.285%0.85376%0.757SS**  -166.9106.1127.99.40000112.5
742T26.6Very low30.4Very low116 Ų116132.5 Ų132.571%0.71276%0.764SS**  trans5.4122.3133.6-34.10000117.9
743T30.6Very low30.4Very low132 Ų132132.2 Ų132.281%0.8177%0.767SS**  -173.4132.7106.219.30000114.3
744T26.9Very low30.7Very low114 Ų114132.5 Ų132.570%0.69977%0.77SS**  trans-47.7149.6163.4440000116.7
745T31.5Very low30.6Very low126 Ų126131.1 Ų131.177%0.77377%0.766SS**  174.9104.9126.423.70000109.8
746T30.2Very low30.8Very low113 Ų113130.9 Ų130.969%0.69377%0.771SS**  89.8123.789.747.80000116.4
747T29.7Very low30.7Very low115 Ų115132.6 Ų132.671%0.70677%0.774SS**  trans78110.7132.155.10000122.1
748N32.8Very low30.6Very low143 Ų143134.1 Ų134.177%0.76578%0.779SS**  159.1103.4108-86.3-15000109.1
749S29.5Very low30.5Very low95 Ų95134.5 Ų134.566%0.66478%0.782SS**  54.510882.568.30000115.4
750N34.4Very low30.3Very low166 Ų166133.2 Ų133.289%0.88878%0.779SS**  -162.4111129.2-103.3-5.3000110.7
751D29.9Very low30.4Very low139 Ų139139.9 Ų139.974%0.74379%0.787SS**  trans-64.4153.2163.6-66.5-51.5000111
752N34.2Very low30.1Very low171 Ų171138.1 Ų138.191%0.91478%0.781SS**  trans-159117.7132.7-94.7-26.7000111.2
753N31.7Very low30.2Very low140 Ų140138.9 Ų138.975%0.74979%0.786SS**  trans-58.7147.6169.9-71-48.9000112.2
754N33.1Very low30.1Very low170 Ų170139.9 Ų139.991%0.90978%0.784SS**  trans-151.5111.3134.2-94.1-18.9000109.6
755T28.6Very low30.2Very low117 Ų117142.4 Ų142.472%0.71879%0.788SS**  trans-87.7168.7163.627.50000109.1
756T34.1Very low30.1Very low128 Ų128141.7 Ų141.779%0.78578%0.783SS**  trans89.5122.2-177.372.30000111.9
757D29.3Very low30.1Very low155 Ų155143.8 Ų143.883%0.82979%0.785SS**  cis-152.7156.632.7-91.3-40.8000114.7
758M25.8Very low30.1Very low175 Ų175144.5 Ų144.586%0.86279%0.789SS**  trans-77.8130.9175.3-178-173.9-8000110.4
759T31.9Very low29.9Very low138 Ų138146.2 Ų146.285%0.84779%0.79SS**  trans-166.9113.5146.216.80000112.1
760T26Very low29.8Very low120 Ų120146.9 Ų146.974%0.73680%0.795SS**  trans-28.1126159.3-36.90000114.8
761Y29.4Very low29.5Very low225 Ų225147 Ų14788%0.88279%0.792SS**  trans-159.3131.5135-99.3-73.6000110.8
762S25.2Very low29.5Very low102 Ų102147.5 Ų147.571%0.71380%0.795SS**  trans-56.8130.7177.848.40000113.9
763T30.3Very low29.4Very low133 Ų133145.1 Ų145.182%0.81679%0.786SS**  trans-148.2129.1151.1-520000110.7H765T763-H765 PolarHBondContact O-N 3.13Å
764I28Very low29.5Very low152 Ų152145.7 Ų145.778%0.77979%0.788SS**  trans-62.6112.7179.1-68.2160.6000108.9T766I764-T766 HydrophobicContact CG2-CG2 4.19Å; I764-T766 PolarHBondContact O-N 3.04Å
765H29.1Very low29.5Very low168 Ų168143 Ų14378%0.77878%0.781SS**  trans-89.593.1168.5-109.9-70.6000109.3T763 H767T763-H765 PolarHBondContact O-N 3.13Å; H765-H767 PolarHBondContact O-N 3.4Å
766T29.3Very low29.8Very low110 Ų110142.5 Ų142.568%0.67578%0.782SS**  trans-75.198.3158.142.90000108.4I764 T768I764-T766 HydrophobicContact CG2-CG2 4.19Å; I764-T766 PolarHBondContact O-N 3.04Å; T766-T768 PolarHBondContact O-N 2.98Å; T766-T768 VanDerWaalsContact O-N 3.08Å
767H29.4Very low30.2Very low157 Ų157142.1 Ų142.173%0.72778%0.781SS**  trans-73.388.3169.6-117-72.4000109.2H765 K769H765-H767 PolarHBondContact O-N 3.4Å; H767-K769 VanDerWaalsContact C-N 3.34Å; H767-K769 PolarHBondContact O-N 3.38Å
768T29.9Very low30.3Very low130 Ų130146.5 Ų146.580%0.79879%0.786SS**  trans-79.387.7160.7470000108.1T766 S770T766-T768 PolarHBondContact O-N 2.98Å; T766-T768 VanDerWaalsContact O-N 3.08Å; T768-S770 PolarHBondContact O-N 2.96Å
769K29.2Very low30.8Very low179 Ų179145.6 Ų145.678%0.77878%0.783SS**  trans-69.4116.3160.7-104.7-179.5176178.20107.4H767 M771H767-K769 VanDerWaalsContact C-N 3.34Å; H767-K769 PolarHBondContact O-N 3.38Å; K769-M771 PolarHBondContact O-N 3.12Å
770S27.5Very low30.6Very low110 Ų110142.4 Ų142.477%0.76978%0.778SS**  trans-58.196.4168.1560000110T768 N772T768-S770 PolarHBondContact O-N 2.96Å; S770-N772 PolarHBondContact O-N 2.7Å
771M28.5Very low30.9Very low168 Ų168144.4 Ų144.483%0.82878%0.783SS**  trans-87.895.1162.6-93.8179145.700107.8K769 V773K769-M771 PolarHBondContact O-N 3.12Å; M771-V773 HydrophobicContact CB-CG2 4.22Å; M771-V773 PolarHBondContact O-N 2.71Å
772N29.3Very low30.9Very low150 Ų150139 Ų13980%0.80278%0.778SS**  trans-65.289.2158.9-78.3-19.6000107.8S770 L774S770-N772 PolarHBondContact O-N 2.7Å; N772-L774 PolarHBondContact O-N 3.44Å
773V32.3Very low31.3Very low120 Ų120139.9 Ų139.973%0.72778%0.784SS**  trans-83.892.6166.9-178.60000106.9M771M771-V773 HydrophobicContact CB-CG2 4.22Å; M771-V773 PolarHBondContact O-N 2.71Å
774L33.1Very low31.2Very low152 Ų152139.2 Ų139.280%0.79679%0.785SS**  trans-66.1128163.4-80.6161.3000108.6N772 S776N772-L774 PolarHBondContact O-N 3.44Å; L774-S776 PolarHBondContact O-N 3.24Å
775P33.7Very low31.5Very low115 Ų115137 Ų13775%0.74778%0.783SS**  trans-81.4113.1168.530.5-26.6000108.7P777P775-P777 WeakPolarHBondContact O-CD 3.29Å
776S34.6Very low31.7Very low106 Ų106134.7 Ų134.774%0.74178%0.781SS**  trans-65.5126.4170.5-40.40000110.4L774L774-S776 PolarHBondContact O-N 3.24Å
777P42.2Very low31.9Very low120 Ų120136.6 Ų136.678%0.77979%0.787SS**  trans-93.3116.4164.121.6-6.1000109.7P775 I779P775-P777 WeakPolarHBondContact O-CD 3.29Å; P777-I779 PolarHBondContact O-N 3.45Å
778W31.2Very low32.1Very low247 Ų247136.1 Ų136.194%0.93679%0.79SS**  trans-70.2112.8158.6-79.168.6000108.5
779I36.1Very low32.3Very low155 Ų155134.7 Ų134.780%0.79578%0.782SS**  trans-154.4111.1144.7-84.4130000105.4P777P777-I779 PolarHBondContact O-N 3.45Å
780G27.5Very low32.7Very low72 Ų72133.6 Ų133.674%0.74279%0.785SS**  trans-82.3135.7168.500000110.3
781I33.6Very low33Very low161 Ų161136.3 Ų136.383%0.82679%0.791SS**  trans-141.4121.7145.4-58.6-175.8000106.9
782S28.4Very low33.2Very low113 Ų113136.3 Ų136.379%0.7979%0.789SS**  trans-62.2135.8173.149.90000113.2
783S33.3Very low33.5Very low119 Ų119136.5 Ų136.583%0.83279%0.785SS**  trans-162.4120140.455.80000110.8
784S29.1Very low33.6Very low120 Ų120137.2 Ų137.284%0.83979%0.785SS**  trans-70.4135.9176.149.10000114.2
785S34Very low33.7Very low105 Ų105137.9 Ų137.973%0.73479%0.789SS**  trans-17297.9146.559.50000108.6
786T33.3Very low33.5Very low120 Ų120140.5 Ų140.574%0.73680%0.796SS**  65.7118.998.255.50000116.4
787N34.3Very low33.5Very low149 Ų149143.6 Ų143.680%0.79780%0.802SS**  trans74.6132.9157.3-51.2-9.8000115.5
788D34.1Very low33Very low148 Ų148146.7 Ų146.779%0.79183%0.827SS**  cis-155.5155.627.1-112.5-39.4000109.2
789P32.1Very low33.1Very low99 Ų99141.7 Ų141.764%0.64382%0.822SS**  trans-84.9162.7168.635.6-28.3000110.6
790N38Very low32.9Very low156 Ų156141 Ų14183%0.83482%0.823SS**  trans103.379.4176.1-49-28000114.7
791N34.3Very low33.2Very low168 Ų168144.8 Ų144.890%0.89883%0.828SS**  -166.2109118.8-120.84000110.1
792E33.6Very low33.2Very low167 Ų167143.9 Ų143.978%0.7883%0.828SS**  trans-68.1165.7157.9-105.8174.7128.700110.5
793Q34.3Very low33.5Very low154 Ų154145.8 Ų145.872%0.7283%0.83SS**  trans89.4124.8167.1-1088719.600118.2
794D34.8Very low33.5Very low136 Ų136147.6 Ų147.673%0.72783%0.83SS**  trans84.391.4153.9-50.3-23.5000116.7
795D34.4Very low33.8Very low165 Ų165149.6 Ų149.688%0.88283%0.829SS**  -17797.7109-86.7-24.8000111.4
796L30.6Very low33.8Very low170 Ų170153 Ų15389%0.8984%0.837SS**  trans-73.9116.7150.7-91.4151.4000107.1
797I33.3Very low33.8Very low171 Ų171155.8 Ų155.888%0.87785%0.845SS**  trans156109.6142.7-76.1152.4000108.9
798S32.4Very low33.8Very low186 Ų186156.4 Ų156.4100%1.30185%0.849SS**  trans-154.80155.3148.90000109.2

Retrieved 798 of 798 residues in 280.9 ms (Link to these results)

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