A0A077YUJ0_TRITR Loading...

Fatty acid 2-hydroxylase

Catalyzes stereospecific hydroxylation of free fatty acids at the C-2 position to produce (R)-2-hydroxy fatty acids, which are building blocks of sphingolipids and glycosphingolipids common in neural tissue and epidermis. Plays an essential role in the synthesis of galactosphingolipids of the myelin sheath. Responsible for the synthesis of sphingolipids and glycosphingolipids involved in the formation of epidermal lamellar bodies critical for skin permeability barrier. Participates in the synthesis of glycosphingolipids and a fraction of type II wax diesters in sebaceous gland, specifically regulating hair follicle homeostasis. Involved in the synthesis of sphingolipids of plasma membrane rafts, controlling lipid raft mobility and trafficking of raft-associated proteins.

AlphaFold DB , UniProt , Accession A0A077YUJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 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
1M59.9Low75.3Confident132 Ų13295.9 Ų95.965%0.6549%0.491SS*.  0122.10-160.1149.484.800108.9H5 K6 L9 L84M1-H5 HydrophobicContact CG-CB 3.43Å; M1-H5 VanDerWaalsContact CG-CB 3.43Å; M1-H5 HydrophobicContact SD-CB 4.19Å; M1-K6 HydrophobicContact CB-CG 4.15Å; M1-K6 HydrophobicContact CE-CB 4.24Å; M1-K6 HydrophobicContact CE-CG 3.65Å; M1-K6 HydrophobicContact CG-CG 4.06Å; M1-L9 HydrophobicContact CE-CB 4.34Å; M1-L9 HydrophobicContact CE-CD2 3.68Å; M1-L84 HydrophobicContact CE-CD2 3.41Å; M1-L84 VanDerWaalsContact CE-CD2 3.41Å
2N73.1Confident75.9Confident98 Ų9896.8 Ų96.852%0.52450%0.496SS..  trans-67.615917766.518.6000110.6A4 H5 K6N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 2.89Å; N2-H5 PolarHBondContact O-N 2.76Å; N2-H5 VanDerWaalsContact O-N 3.13Å; N2-H5 VanDerWaalsContact OD1-CB 3.22Å; N2-H5 WeakPolarHBondContact OD1-CB 3.45Å; N2-H5 PolarHBondContact OD1-N 3.06Å; N2-H5 PolarHBondContact OD1-ND1 2.57Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.08Å
3A74.6Confident76.2Confident81 Ų8190.4 Ų90.467%0.66946%0.463SS*.Hα-helixtrans-58.2-36.4-174.400000113K6 Y7A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 2.82Å; A3-Y7 PolarHBondContact O-N 3.03Å
4A74.9Confident76.4Confident71 Ų7190.3 Ų90.359%0.58746%0.462SS*.Hα-helixtrans-63.4-42.6176.200000112.8N2 Y7 K8N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 2.89Å; A4-Y7 PolarHBondContact O-N 3.35Å; A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.03Å
5H74.8Confident76.7Confident109 Ų10991.7 Ų91.751%0.50547%0.47SS..Hα-helixtrans-66.1-38.1173.9-86.8140.1000112.3M1 N2 K8 L9M1-H5 HydrophobicContact CG-CB 3.43Å; M1-H5 VanDerWaalsContact CG-CB 3.43Å; M1-H5 HydrophobicContact SD-CB 4.19Å; N2-H5 PolarHBondContact O-N 2.76Å; N2-H5 VanDerWaalsContact O-N 3.13Å; N2-H5 VanDerWaalsContact OD1-CB 3.22Å; N2-H5 WeakPolarHBondContact OD1-CB 3.45Å; N2-H5 PolarHBondContact OD1-N 3.06Å; N2-H5 PolarHBondContact OD1-ND1 2.57Å; H5-K8 PolarHBondContact O-N 3.27Å; H5-L9 WeakPolarHBondContact O-CB 3.46Å; H5-L9 PolarHBondContact O-N 2.95Å
6K74.1Confident77.2Confident51 Ų5189.3 Ų89.322%0.22246%0.459CS..Hα-helixtrans-57.7-52.3173.4-70-172.7170.2-166.10111.5M1 N2 A3 K8 L9 Q10 L84M1-K6 HydrophobicContact CB-CG 4.15Å; M1-K6 HydrophobicContact CE-CB 4.24Å; M1-K6 HydrophobicContact CE-CG 3.65Å; M1-K6 HydrophobicContact CG-CG 4.06Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.08Å; A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 2.82Å; K6-K8 PolarHBondContact O-N 3.32Å; K6-L9 PolarHBondContact O-N 3.32Å; K6-Q10 WeakPolarHBondContact O-CG 3.41Å; K6-Q10 PolarHBondContact O-N 3.38Å; K6-L84 HydrophobicContact CB-CD1 4.16Å; K6-L84 HydrophobicContact CB-CD2 4.12Å; K6-L84 HydrophobicContact CD-CD1 4.2Å; K6-L84 HydrophobicContact CD-CD2 4.29Å; K6-L84 HydrophobicContact CG-CD1 4.34Å; K6-L84 HydrophobicContact CG-CD2 3.85Å
7Y77.8Confident77.4Confident154 Ų15496 Ų9660%0.60448%0.484SS*.Hα-helixtrans-61-44.2178.9-179-103.6000112.4A3 A4 L9 Q10 K11A3-Y7 PolarHBondContact O-N 3.03Å; A4-Y7 PolarHBondContact O-N 3.35Å; Y7-L9 PolarHBondContact O-N 3.21Å; Y7-Q10 PolarHBondContact O-N 3.4Å; Y7-K11 WeakPolarHBondContact O-CB 3.31Å; Y7-K11 PolarHBondContact O-N 3.01Å
8K80Confident77.8Confident134 Ų13499.5 Ų99.558%0.58350%0.498SS*.Hα-helixtrans-61.9-43.2177.4-171.3177.5-179.6-178.10112A4 H5 K6 L12A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.03Å; H5-K8 PolarHBondContact O-N 3.27Å; K6-K8 PolarHBondContact O-N 3.32Å; K8-L12 HydrophobicContact CG-CD1 4.21Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.27Å; K8-L12 WeakPolarHBondContact O-CG 3.4Å; K8-L12 PolarHBondContact O-N 2.78Å
9L79.4Confident78.4Confident65 Ų6598.9 Ų98.934%0.3449%0.49SS..Hα-helixtrans-64.1-47.9176.9-177.368.2000111.3M1 H5 K6 Y7 K11 L12 L13 V83 L84M1-L9 HydrophobicContact CE-CB 4.34Å; M1-L9 HydrophobicContact CE-CD2 3.68Å; H5-L9 WeakPolarHBondContact O-CB 3.46Å; H5-L9 PolarHBondContact O-N 2.95Å; K6-L9 PolarHBondContact O-N 3.32Å; Y7-L9 PolarHBondContact O-N 3.21Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.17Å; L9-V83 HydrophobicContact CD2-CG1 3.96Å; L9-V83 HydrophobicContact CG-CG1 4.34Å; L9-L84 HydrophobicContact CD2-CD2 4.44Å
10Q80.5Confident79.1Confident50 Ų5094.2 Ų94.223%0.23447%0.466CS..Hα-helixtrans-56.7-46.7177.3-72.9180-50.700111.5K6 Y7 L12 L13 M14 L28 L84K6-Q10 WeakPolarHBondContact O-CG 3.41Å; K6-Q10 PolarHBondContact O-N 3.38Å; Y7-Q10 PolarHBondContact O-N 3.4Å; Q10-L12 PolarHBondContact O-N 3.02Å; Q10-L13 PolarHBondContact O-N 2.96Å; Q10-M14 WeakPolarHBondContact O-CG 3.48Å; Q10-M14 PolarHBondContact O-N 3.01Å; Q10-L28 HydrophobicContact CB-CD2 3.75Å; Q10-L28 HydrophobicContact CG-CB 4.41Å; Q10-L28 HydrophobicContact CG-CD2 3.67Å; Q10-L84 HydrophobicContact CG-CD1 3.99Å; Q10-L84 HydrophobicContact CG-CG 4.47Å; Q10-L84 VanDerWaalsContact NE2-CD1 3.3Å
11K79.9Confident79.8Confident110 Ų11089.7 Ų89.748%0.47844%0.444SS..Hα-helixtrans-62.1-44.3178.1-173.7173.2-179.5179.10112.5Y7 L9 L13 M14 D15Y7-K11 WeakPolarHBondContact O-CB 3.31Å; Y7-K11 PolarHBondContact O-N 3.01Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 2.87Å; K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.46Å; K11-M14 PolarHBondContact O-N 3.37Å; K11-D15 WeakPolarHBondContact CE-OD2 3.22Å; K11-D15 WeakPolarHBondContact CG-OD2 3.5Å; K11-D15 WeakPolarHBondContact O-CB 3.16Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 3.36Å
12L82.4Confident81.4Confident106 Ų10683.6 Ų83.656%0.55541%0.414SS*.Hα-helixtrans-60.3-36.3177.2-76168.4000112.7K8 L9 Q10 D16K8-L12 HydrophobicContact CG-CD1 4.21Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.27Å; K8-L12 WeakPolarHBondContact O-CG 3.4Å; K8-L12 PolarHBondContact O-N 2.78Å; L9-L12 PolarHBondContact O-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.02Å; L12-D16 PolarHBondContact O-N 3.48Å
13L79.9Confident82.3Confident14 Ų1480.7 Ų80.77%0.07340%0.4CS..Hα-helixtrans-72.7-38.6178.6-67.1170.7000112.5L9 Q10 K11 T21 L28 V83L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.17Å; Q10-L13 PolarHBondContact O-N 2.96Å; K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.46Å; L13-T21 HydrophobicContact CB-CG2 4.17Å; L13-T21 WeakPolarHBondContact O-CG2 3.26Å; L13-L28 HydrophobicContact CB-CD2 4.5Å; L13-L28 HydrophobicContact CD1-CD2 4.42Å; L13-V83 HydrophobicContact CD1-CB 4.11Å; L13-V83 HydrophobicContact CD1-CG1 3.26Å; L13-V83 HydrophobicContact CD1-CG2 3.64Å
14M78.4Confident83.1Confident89 Ų8978.5 Ų78.544%0.43838%0.375SS..Hα-helixtrans-73.5-28.9178.4-66.5178.473.800112.8Q10 K11 D16 L28Q10-M14 WeakPolarHBondContact O-CG 3.48Å; Q10-M14 PolarHBondContact O-N 3.01Å; K11-M14 PolarHBondContact O-N 3.37Å; M14-D16 VanDerWaalsContact C-N 3.31Å; M14-L28 HydrophobicContact CG-CD1 4.09Å; M14-L28 HydrophobicContact CG-CD2 4.3Å; M14-L28 HydrophobicContact SD-CD1 4.18Å
15D81.2Confident83.8Confident111 Ų11177.4 Ų77.459%0.59436%0.362SS*.SBendtrans-81.6-10177.9-69.8-20.8000112.6K11 K17K11-D15 WeakPolarHBondContact CE-OD2 3.22Å; K11-D15 WeakPolarHBondContact CG-OD2 3.5Å; K11-D15 WeakPolarHBondContact O-CB 3.16Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 3.36Å; D15-K17 PolarHBondContact O-N 2.86Å
16D84.2Confident84.3Confident54 Ų5475.3 Ų75.329%0.28937%0.37SS..  trans-83.8105.3-179.2-173.9-7.1000111.2L12 M14 E18 R19L12-D16 PolarHBondContact O-N 3.48Å; M14-D16 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3.21Å; D16-E18 VanDerWaalsContact O-N 3.1Å; D16-E18 PolarHBondContact OD1-N 2.76Å; D16-E18 VanDerWaalsContact OD1-N 3.09Å; D16-R19 HydrophobicContact CB-CB 4.29Å; D16-R19 HydrophobicContact CB-CG 4.04Å; D16-R19 PolarHBondContact O-N 2.78Å; D16-R19 WeakPolarHBondContact OD2-CD 3.03Å; D16-R19 WeakPolarHBondContact OD2-CG 3.39Å; D16-R19 IonicContact OD2-CZ 3.46Å; D16-R19 IonicContact OD2-NE 2.78Å; D16-R19 PolarHBondContact OD2-NE 3.38Å
17K81.2Confident85Confident203 Ų20375.2 Ų75.288%0.88337%0.37SS*.THydrogen-bonded Turntrans-63.6-14.8-178.2-65.5-173.6178.2-177.30114.6D15 R19D15-K17 PolarHBondContact O-N 2.86Å; K17-R19 VanDerWaalsContact C-N 3.34Å
18E85.1Confident85.6Confident159 Ų15968.2 Ų68.274%0.74334%0.343SS*.THydrogen-bonded Turntrans-85-14.8175.5-62.2-168.316600112.2D16 T32D16-E18 PolarHBondContact O-N 3.21Å; D16-E18 VanDerWaalsContact O-N 3.1Å; D16-E18 PolarHBondContact OD1-N 2.76Å; D16-E18 VanDerWaalsContact OD1-N 3.09Å; E18-T32 WeakPolarHBondContact O-CG2 3.46Å
19R89Confident86.2Confident89 Ų8962.2 Ų62.234%0.33632%0.317SS..  trans-93.5156.3179.7-65.7-174.9-168-123.81.8112.1D16 K17 T21 D30 T32D16-R19 HydrophobicContact CB-CB 4.29Å; D16-R19 HydrophobicContact CB-CG 4.04Å; D16-R19 PolarHBondContact O-N 2.78Å; D16-R19 WeakPolarHBondContact OD2-CD 3.03Å; D16-R19 WeakPolarHBondContact OD2-CG 3.39Å; D16-R19 IonicContact OD2-CZ 3.46Å; D16-R19 IonicContact OD2-NE 2.78Å; D16-R19 PolarHBondContact OD2-NE 3.38Å; K17-R19 VanDerWaalsContact C-N 3.34Å; R19-T21 HydrophobicContact CB-CG2 4.25Å; R19-D30 IonicContact CZ-OD2 3.97Å; R19-D30 IonicContact NH1-OD2 2.7Å; R19-D30 PolarHBondContact NH1-OD2 2.97Å; R19-T32 WeakPolarHBondContact CA-OG1 3.32Å; R19-T32 WeakPolarHBondContact CB-OG1 3.21Å
20I91.4Very high86.8Confident3 Ų360.3 Ų60.32%0.01531%0.307CS..  trans-119.3105.9170.1-53.4174000105.9V31 T32 A35 L45 R46 D49I20-V31 HydrophobicContact CB-CG2 4.09Å; I20-V31 HydrophobicContact CG2-CG2 3.67Å; I20-V31 VanDerWaalsContact O-CG2 3.31Å; I20-V31 WeakPolarHBondContact O-CG2 3.44Å; I20-V31 PolarHBondContact O-N 3.29Å; I20-T32 PolarHBondContact N-OG1 3.3Å; I20-T32 PolarHBondContact O-N 2.94Å; I20-A35 HydrophobicContact CD1-CB 3.69Å; I20-L45 HydrophobicContact CD1-CB 4.26Å; I20-L45 HydrophobicContact CG2-CB 4.21Å; I20-L45 WeakPolarHBondContact CG2-O 3.42Å; I20-R46 HydrophobicContact CD1-CB 4.4Å; I20-R46 HydrophobicContact CD1-CG 3.47Å; I20-R46 VanDerWaalsContact CD1-CG 3.47Å; I20-R46 HydrophobicContact CG1-CG 4.08Å; I20-D49 HydrophobicContact CG2-CB 4.24Å
21T93.2Very high87.3Confident1 Ų158.1 Ų58.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-110.9137.3-179.263.20000110.3L13 R19 Y29 D49 G50L13-T21 HydrophobicContact CB-CG2 4.17Å; L13-T21 WeakPolarHBondContact O-CG2 3.26Å; R19-T21 HydrophobicContact CB-CG2 4.25Å; T21-Y29 VanDerWaalsContact CA-O 3.3Å; T21-Y29 WeakPolarHBondContact CA-O 3.43Å; T21-D49 PolarHBondContact N-OD1 3.09Å; T21-D49 PolarHBondContact OG1-OD1 3.25Å; T21-G50 PolarHBondContact O-N 3.43Å
22V93.4Very high87.7Confident4 Ų455 Ų552%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-132.4153.3178-60.20000109.8Y29 V31 V53 L78V22-Y29 PolarHBondContact N-O 3.08Å; V22-Y29 PolarHBondContact O-N 3.3Å; V22-V31 HydrophobicContact CG1-CG2 4.09Å; V22-V31 HydrophobicContact CG2-CG1 3.91Å; V22-V31 HydrophobicContact CG2-CG2 4.21Å; V22-V53 HydrophobicContact CB-CG1 3.7Å; V22-V53 HydrophobicContact CB-CG2 4.11Å; V22-V53 HydrophobicContact CG1-CG1 3.72Å; V22-V53 HydrophobicContact CG2-CG1 4.41Å; V22-V53 HydrophobicContact CG2-CG2 4.08Å; V22-L78 HydrophobicContact CG2-CD1 4.29Å
23T92.4Very high87.9Confident36 Ų3653.8 Ų53.822%0.22129%0.286CS..EExtended strand (participates in β ladder)trans-107.3139.7171.761.60000110.6Q27 L28 M51 D52 V53T23-Q27 CarbonylContact C-O 3.54Å; T23-Q27 VanDerWaalsContact CA-O 3.22Å; T23-Q27 WeakPolarHBondContact CA-O 3.22Å; T23-L28 HydrophobicContact CG2-CD1 3.95Å; T23-M51 PolarHBondContact N-O 2.73Å; T23-M51 PolarHBondContact OG1-O 2.86Å; T23-D52 CarbonylContact O-C 3.56Å; T23-D52 WeakPolarHBondContact O-CA 3.49Å; T23-D52 WeakPolarHBondContact OG1-CA 3.31Å; T23-D52 WeakPolarHBondContact OG1-CB 3.48Å; T23-D52 PolarHBondContact OG1-N 3.01Å; T23-V53 WeakPolarHBondContact O-CG2 3.27Å; T23-V53 PolarHBondContact O-N 3.23Å
24Y91.7Very high88.2Confident36 Ų3654.3 Ų54.314%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-140121.4172.8174.6-102.5000108.7G26 Q27 Y29 R54 L57 Y75 L78Y24-G26 PolarHBondContact O-N 2.95Å; Y24-Q27 PolarHBondContact N-O 3.46Å; Y24-Q27 PolarHBondContact O-N 3.47Å; Y24-Y29 HydrophobicContact CD1-CE2 4.47Å; Y24-R54 HydrophobicContact CD2-CB 4.12Å; Y24-R54 HydrophobicContact CE2-CB 4.27Å; Y24-R54 HydrophobicContact CE2-CG 4.19Å; Y24-L57 HydrophobicContact CD2-CD1 3.68Å; Y24-L57 HydrophobicContact CE2-CD1 3.92Å; Y24-L57 HydrophobicContact CG-CD1 4.33Å; Y24-Y75 HydrophobicContact CE1-CD1 4.43Å; Y24-Y75 HydrophobicContact CE2-CD1 4.37Å; Y24-Y75 HydrophobicContact CE2-CE1 4.02Å; Y24-Y75 AromaticContact CZ-CD1 3.87Å; Y24-Y75 AromaticContact CZ-CE1 3.85Å; Y24-Y75 WeakPolarHBondContact OH-CD1 3.34Å; Y24-Y75 WeakPolarHBondContact OH-CE1 3.33Å; Y24-L78 HydrophobicContact CD1-CD2 4.03Å; Y24-L78 HydrophobicContact CD2-CD2 4.49Å; Y24-L78 HydrophobicContact CG-CD2 3.89Å
25C90.1Very high88.6Confident47 Ų4750.3 Ų50.332%0.31827%0.269SS..THydrogen-bonded Turntrans49.441.1-175.1-65.30000113.1Q27C25-Q27 VanDerWaalsContact C-N 3.27Å; C25-Q27 PolarHBondContact O-N 3.27Å
26G85.5Confident88.4Confident65 Ų6551.5 Ų51.567%0.6727%0.27SS*.THydrogen-bonded Turntrans76.41.9178.900000115.8Y24Y24-G26 PolarHBondContact O-N 2.95Å
27Q88.7Confident88.2Confident50 Ų5050.2 Ų50.223%0.23426%0.263CS..EExtended strand (participates in β ladder)trans-96.5143.5173-62.4-175.72300110.5T23 Y24 C25 Y29T23-Q27 CarbonylContact C-O 3.54Å; T23-Q27 VanDerWaalsContact CA-O 3.22Å; T23-Q27 WeakPolarHBondContact CA-O 3.22Å; Y24-Q27 PolarHBondContact N-O 3.46Å; Y24-Q27 PolarHBondContact O-N 3.47Å; C25-Q27 VanDerWaalsContact C-N 3.27Å; C25-Q27 PolarHBondContact O-N 3.27Å; Q27-Y29 HydrophobicContact CB-CD2 4.49Å; Q27-Y29 HydrophobicContact CB-CE2 3.59Å; Q27-Y29 VanDerWaalsContact O-CD2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.27Å; Q27-Y29 VanDerWaalsContact O-CE2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.27Å; Q27-Y29 PolarHBondContact OE1-OH 3.13Å
28L90.7Very high88.3Confident6 Ų641.3 Ų41.33%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-91.9134.8177-172.971.1000110.6Q10 L13 M14 T23 V83Q10-L28 HydrophobicContact CB-CD2 3.75Å; Q10-L28 HydrophobicContact CG-CB 4.41Å; Q10-L28 HydrophobicContact CG-CD2 3.67Å; L13-L28 HydrophobicContact CB-CD2 4.5Å; L13-L28 HydrophobicContact CD1-CD2 4.42Å; M14-L28 HydrophobicContact CG-CD1 4.09Å; M14-L28 HydrophobicContact CG-CD2 4.3Å; M14-L28 HydrophobicContact SD-CD1 4.18Å; T23-L28 HydrophobicContact CG2-CD1 3.95Å; L28-V83 HydrophobicContact CB-CG2 4.46Å; L28-V83 HydrophobicContact CD2-CB 4.44Å; L28-V83 HydrophobicContact CD2-CG2 4.08Å; L28-V83 HydrophobicContact CG-CG2 4.06Å; L28-V83 PolarHBondContact O-N 3.25Å
29Y92.1Very high88Confident9 Ų935.7 Ų35.74%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-125.4136.6178.4-59.6-93.3000110.2T21 V22 Y24 Q27 L78 Y81T21-Y29 VanDerWaalsContact CA-O 3.3Å; T21-Y29 WeakPolarHBondContact CA-O 3.43Å; V22-Y29 PolarHBondContact N-O 3.08Å; V22-Y29 PolarHBondContact O-N 3.3Å; Y24-Y29 HydrophobicContact CD1-CE2 4.47Å; Q27-Y29 HydrophobicContact CB-CD2 4.49Å; Q27-Y29 HydrophobicContact CB-CE2 3.59Å; Q27-Y29 VanDerWaalsContact O-CD2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.27Å; Q27-Y29 VanDerWaalsContact O-CE2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.27Å; Q27-Y29 PolarHBondContact OE1-OH 3.13Å; Y29-L78 HydrophobicContact CD1-CD1 3.84Å; Y29-L78 HydrophobicContact CD1-CG 3.88Å; Y29-L78 WeakPolarHBondContact CD1-O 3.49Å; Y29-L78 HydrophobicContact CD2-CD1 4.28Å; Y29-L78 HydrophobicContact CD2-CG 4.46Å; Y29-L78 HydrophobicContact CE1-CD1 4.45Å; Y29-L78 HydrophobicContact CE1-CG 4Å; Y29-L78 VanDerWaalsContact CE1-O 3.3Å; Y29-L78 WeakPolarHBondContact CE1-O 3.26Å; Y29-L78 HydrophobicContact CG-CD1 3.73Å; Y29-L78 HydrophobicContact CG-CG 4.13Å; Y29-Y81 CarbonylContact C-O 3.6Å; Y29-Y81 VanDerWaalsContact CA-O 3.24Å; Y29-Y81 WeakPolarHBondContact CA-O 3.47Å
30D91.2Very high87.4Confident25 Ų2532.1 Ų32.113%0.13419%0.193CC..EExtended strand (participates in β ladder)trans-101.195.8172.5-176.7-9.3000108.6R19 T32 Y81 V83R19-D30 IonicContact CZ-OD2 3.97Å; R19-D30 IonicContact NH1-OD2 2.7Å; R19-D30 PolarHBondContact NH1-OD2 2.97Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.22Å; D30-T32 PolarHBondContact OD1-N 3.34Å; D30-T32 PolarHBondContact OD1-OG1 3.26Å; D30-Y81 PolarHBondContact N-O 3.15Å; D30-Y81 WeakPolarHBondContact O-CB 3.03Å; D30-Y81 WeakPolarHBondContact O-CD1 3.48Å; D30-V83 HydrophobicContact CB-CG2 3.97Å
31V91.5Very high86.8Confident4 Ų432.3 Ų32.32%0.02420%0.196CC..  trans-94.37.4-176.4-62.70000112.5I20 V22 F34 A35 L45 L78 Y81I20-V31 HydrophobicContact CB-CG2 4.09Å; I20-V31 HydrophobicContact CG2-CG2 3.67Å; I20-V31 VanDerWaalsContact O-CG2 3.31Å; I20-V31 WeakPolarHBondContact O-CG2 3.44Å; I20-V31 PolarHBondContact O-N 3.29Å; V22-V31 HydrophobicContact CG1-CG2 4.09Å; V22-V31 HydrophobicContact CG2-CG1 3.91Å; V22-V31 HydrophobicContact CG2-CG2 4.21Å; V31-F34 HydrophobicContact CB-CB 4.49Å; V31-F34 WeakPolarHBondContact O-CA 3.37Å; V31-F34 WeakPolarHBondContact O-CB 3.39Å; V31-F34 PolarHBondContact O-N 3.28Å; V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; V31-L45 HydrophobicContact CG2-CD2 4.34Å; V31-L78 HydrophobicContact CG1-CD1 3.93Å; V31-Y81 HydrophobicContact CG1-CG 4.49Å
32T89.3Confident86.4Confident43 Ų4332.6 Ų32.626%0.26420%0.198SC..G310 helixtrans-46.7-51.8173.3-43.90000113.3E18 R19 I20 D30 F34 A35E18-T32 WeakPolarHBondContact O-CG2 3.46Å; R19-T32 WeakPolarHBondContact CA-OG1 3.32Å; R19-T32 WeakPolarHBondContact CB-OG1 3.21Å; I20-T32 PolarHBondContact N-OG1 3.3Å; I20-T32 PolarHBondContact O-N 2.94Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.22Å; D30-T32 PolarHBondContact OD1-N 3.34Å; D30-T32 PolarHBondContact OD1-OG1 3.26Å; T32-F34 PolarHBondContact O-N 3.05Å; T32-A35 VanDerWaalsContact O-CB 3.22Å; T32-A35 WeakPolarHBondContact O-CB 3.44Å; T32-A35 PolarHBondContact O-N 3.5Å; T32-A35 VanDerWaalsContact O-N 3.15Å
33P85.6Confident86Confident81 Ų8134.8 Ų34.853%0.52621%0.214SC..G310 helixtrans-65.9-21.1178.626.3-37000113.8Y81P33-Y81 HydrophobicContact CB-CE1 4.28Å; P33-Y81 HydrophobicContact CG-CD1 3.76Å; P33-Y81 HydrophobicContact CG-CE1 3.53Å
34F87Confident85.7Confident26 Ų2634.1 Ų34.111%0.11421%0.209CC..G310 helixtrans-86-14.2177.7-167.7-122.2000113V31 T32 Q36 L37 H38 L45 I77 Y81V31-F34 HydrophobicContact CB-CB 4.49Å; V31-F34 WeakPolarHBondContact O-CA 3.37Å; V31-F34 WeakPolarHBondContact O-CB 3.39Å; V31-F34 PolarHBondContact O-N 3.28Å; T32-F34 PolarHBondContact O-N 3.05Å; F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.26Å; F34-L37 HydrophobicContact CD2-CB 3.81Å; F34-L37 HydrophobicContact CD2-CD1 4.36Å; F34-L37 HydrophobicContact CE2-CB 3.92Å; F34-L37 CarbonylContact O-C 3.41Å; F34-L37 WeakPolarHBondContact O-CA 3.38Å; F34-L37 PolarHBondContact O-N 3.01Å; F34-H38 HydrophobicContact CD1-CB 4.35Å; F34-H38 HydrophobicContact CE1-CB 4.18Å; F34-H38 AromaticContact CE1-CD2 3.85Å; F34-H38 PolarHBondContact O-N 3.39Å; F34-L45 HydrophobicContact CD1-CD1 4.04Å; F34-I77 HydrophobicContact CD2-CG2 4.19Å; F34-I77 HydrophobicContact CE1-CG2 4.36Å; F34-I77 HydrophobicContact CE2-CG2 3.81Å; F34-I77 HydrophobicContact CZ-CG2 3.91Å; F34-Y81 HydrophobicContact CB-CD2 4.38Å; F34-Y81 HydrophobicContact CB-CE1 4.18Å; F34-Y81 HydrophobicContact CB-CE2 3.69Å; F34-Y81 AromaticContact CD2-CE2 3.92Å; F34-Y81 HydrophobicContact CD2-CE2 3.92Å; F34-Y81 AromaticContact CD2-CZ 3.99Å; F34-Y81 WeakPolarHBondContact CD2-OH 3.41Å; F34-Y81 AromaticContact CG-CE2 3.81Å; F34-Y81 HydrophobicContact CG-CE2 3.81Å
35A86.1Confident85.6Confident5 Ų533.4 Ų33.44%0.04121%0.207CC..G310 helixtrans-49.5-49.4-171.800000113.7I20 V31 T32 L37 H38 A42I20-A35 HydrophobicContact CD1-CB 3.69Å; V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; T32-A35 VanDerWaalsContact O-CB 3.22Å; T32-A35 WeakPolarHBondContact O-CB 3.44Å; T32-A35 PolarHBondContact O-N 3.5Å; T32-A35 VanDerWaalsContact O-N 3.15Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.4Å; A35-H38 PolarHBondContact O-N 3.47Å; A35-A42 HydrophobicContact CB-CB 4.1Å; A35-A42 VanDerWaalsContact O-CA 3.24Å; A35-A42 WeakPolarHBondContact O-CA 3.48Å; A35-A42 WeakPolarHBondContact O-CB 3.27Å; A35-A42 PolarHBondContact O-N 3.44Å
36Q77.7Confident85.6Confident135 Ų13538.1 Ų38.163%0.63122%0.218SC*.G310 helixtrans-75.5-20.9-179-65.3-177-6.100113.5F34F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.26Å
37L78.8Confident85.8Confident27 Ų2739.5 Ų39.514%0.14121%0.207CC..G310 helixtrans-90.6-8.6-179.3-55.3176.3000111.9F34 A35 M234 Y306F34-L37 HydrophobicContact CD2-CB 3.81Å; F34-L37 HydrophobicContact CD2-CD1 4.36Å; F34-L37 HydrophobicContact CE2-CB 3.92Å; F34-L37 CarbonylContact O-C 3.41Å; F34-L37 WeakPolarHBondContact O-CA 3.38Å; F34-L37 PolarHBondContact O-N 3.01Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.4Å; L37-M234 HydrophobicContact CB-CE 4.19Å; L37-M234 HydrophobicContact CB-CG 4.35Å; L37-M234 HydrophobicContact CB-SD 3.91Å; L37-M234 HydrophobicContact CD1-CB 4Å; L37-M234 HydrophobicContact CD1-CG 3.99Å; L37-M234 HydrophobicContact CD1-SD 4.46Å; L37-M234 HydrophobicContact CD2-CB 4.24Å; L37-M234 HydrophobicContact CD2-CG 4.27Å; L37-M234 HydrophobicContact CD2-SD 3.8Å; L37-M234 HydrophobicContact CG-CG 4.42Å; L37-M234 HydrophobicContact CG-SD 4.25Å; L37-M234 WeakPolarHBondContact O-CE 3.36Å; L37-Y306 PolarHBondContact O-OH 2.95Å
38H84.8Confident86Confident17 Ų1737.4 Ų37.48%0.07920%0.198CC..  trans-69.4128.2-177.7-178-108.8000111.4F34 A35 G40 G41 L45F34-H38 HydrophobicContact CD1-CB 4.35Å; F34-H38 HydrophobicContact CE1-CB 4.18Å; F34-H38 AromaticContact CE1-CD2 3.85Å; F34-H38 PolarHBondContact O-N 3.39Å; A35-H38 PolarHBondContact O-N 3.47Å; H38-G40 PolarHBondContact ND1-N 2.93Å; H38-G40 PolarHBondContact O-N 3.44Å; H38-G40 VanDerWaalsContact O-N 3.15Å; H38-G41 PolarHBondContact ND1-O 3.31Å; H38-G41 VanDerWaalsContact ND1-O 3.08Å; H38-G41 PolarHBondContact O-N 2.95Å; H38-L45 HydrophobicContact CB-CD1 3.47Å; H38-L45 VanDerWaalsContact CB-CD1 3.47Å; H38-L45 HydrophobicContact CB-CG 4.16Å
39P77Confident86.1Confident41 Ų4140.1 Ų40.127%0.26621%0.212SC..THydrogen-bonded Turntrans-54.8-36.2-178.5-1.3-7.7000113.7G41 Y306P39-G41 VanDerWaalsContact C-N 3.29Å; P39-G41 PolarHBondContact O-N 2.88Å; P39-Y306 HydrophobicContact CB-CD1 3.28Å; P39-Y306 HydrophobicContact CB-CE1 3.73Å; P39-Y306 HydrophobicContact CB-CG 3.86Å; P39-Y306 HydrophobicContact CG-CD1 3.45Å; P39-Y306 VanDerWaalsContact CG-CD1 3.45Å; P39-Y306 HydrophobicContact CG-CE1 3.82Å; P39-Y306 HydrophobicContact CG-CG 4.43Å
40G77.7Confident86Confident14 Ų1441.8 Ų41.814%0.14423%0.232CC..THydrogen-bonded Turntrans-80.6-4-179.200000115H38 L44H38-G40 PolarHBondContact ND1-N 2.93Å; H38-G40 PolarHBondContact O-N 3.44Å; H38-G40 VanDerWaalsContact O-N 3.15Å; G40-L44 WeakPolarHBondContact O-CD1 3.25Å
41G79.3Confident86.1Confident7 Ų744.5 Ų44.57%0.07225%0.245CC..  trans94.8162.1-174.700000113.1H38 P39 S43H38-G41 PolarHBondContact ND1-O 3.31Å; H38-G41 VanDerWaalsContact ND1-O 3.08Å; H38-G41 PolarHBondContact O-N 2.95Å; P39-G41 VanDerWaalsContact C-N 3.29Å; P39-G41 PolarHBondContact O-N 2.88Å; G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å
42A84.7Confident86.1Confident6 Ų647 Ų475%0.0526%0.259CS..Hα-helixtrans-71.5-27.1-177.400000112.2A35 L44 L45 R46 E291A35-A42 HydrophobicContact CB-CB 4.1Å; A35-A42 VanDerWaalsContact O-CA 3.24Å; A35-A42 WeakPolarHBondContact O-CA 3.48Å; A35-A42 WeakPolarHBondContact O-CB 3.27Å; A35-A42 PolarHBondContact O-N 3.44Å; A42-L44 PolarHBondContact O-N 3.03Å; A42-L45 PolarHBondContact O-N 3.47Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.28Å; A42-E291 PolarHBondContact N-OE1 2.73Å
43S84.8Confident86.3Confident51 Ų5145.5 Ų45.536%0.35725%0.249SC..Hα-helixtrans-60.2-42.3179.4550000113.1G41 L45 R46 H47G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.28Å; S43-R46 PolarHBondContact O-N 2.88Å; S43-H47 PolarHBondContact O-N 2.81Å
44L85.6Confident86.7Confident22 Ų2246 Ų4612%0.11524%0.241CC..Hα-helixtrans-62.3-40.9177.2-70.9176.9000111.6G40 A42 H47 S48 L63 D64G40-L44 WeakPolarHBondContact O-CD1 3.25Å; A42-L44 PolarHBondContact O-N 3.03Å; L44-H47 PolarHBondContact O-N 3.48Å; L44-S48 PolarHBondContact O-N 3Å; L44-S48 VanDerWaalsContact O-N 3.11Å; L44-S48 PolarHBondContact O-OG 3.48Å; L44-L63 HydrophobicContact CD2-CD2 4.43Å; L44-L63 VanDerWaalsContact O-CD2 3.25Å; L44-L63 WeakPolarHBondContact O-CD2 3.36Å; L44-D64 HydrophobicContact CD2-CB 4.27Å; L44-D64 WeakPolarHBondContact CD2-OD2 3.24Å
45L89.6Confident86.9Confident21 Ų2148.9 Ų48.911%0.1125%0.254CS..Hα-helixtrans-67.2-40.9176.5-74.1178.6000111.5I20 V31 F34 H38 A42 S43 H47 S48 D49I20-L45 HydrophobicContact CD1-CB 4.26Å; I20-L45 HydrophobicContact CG2-CB 4.21Å; I20-L45 WeakPolarHBondContact CG2-O 3.42Å; V31-L45 HydrophobicContact CG2-CD2 4.34Å; F34-L45 HydrophobicContact CD1-CD1 4.04Å; H38-L45 HydrophobicContact CB-CD1 3.47Å; H38-L45 VanDerWaalsContact CB-CD1 3.47Å; H38-L45 HydrophobicContact CB-CG 4.16Å; A42-L45 PolarHBondContact O-N 3.47Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.28Å; L45-H47 VanDerWaalsContact C-N 3.31Å; L45-H47 PolarHBondContact O-N 3.18Å; L45-S48 WeakPolarHBondContact CA-OG 3.28Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 2.72Å; L45-D49 PolarHBondContact O-N 3.11Å
46R90.5Very high87.2Confident145 Ų14549.8 Ų49.855%0.54726%0.257SS..Hα-helixtrans-60.7-38.3174.2-70.4-179-171.3-76.40.3112.6I20 A42 S43 S48 D49I20-R46 HydrophobicContact CD1-CB 4.4Å; I20-R46 HydrophobicContact CD1-CG 3.47Å; I20-R46 VanDerWaalsContact CD1-CG 3.47Å; I20-R46 HydrophobicContact CG1-CG 4.08Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.28Å; S43-R46 PolarHBondContact O-N 2.88Å; R46-S48 VanDerWaalsContact C-N 3.27Å; R46-S48 PolarHBondContact O-N 2.7Å; R46-D49 VanDerWaalsContact O-CB 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.28Å; R46-D49 PolarHBondContact O-N 3.48Å
47H90.2Very high87.8Confident95 Ų9544.3 Ų44.344%0.4423%0.232SC..Hα-helixtrans-70.7-24.6176.2-67173.8000112.8S43 L44 L45 D49 M51 L63 D64S43-H47 PolarHBondContact O-N 2.81Å; L44-H47 PolarHBondContact O-N 3.48Å; L45-H47 VanDerWaalsContact C-N 3.31Å; L45-H47 PolarHBondContact O-N 3.18Å; H47-D49 VanDerWaalsContact C-N 3.31Å; H47-M51 WeakPolarHBondContact O-CE 3.3Å; H47-L63 HydrophobicContact CB-CD1 4.29Å; H47-L63 HydrophobicContact CB-CD2 4.15Å; H47-L63 HydrophobicContact CB-CG 4.42Å; H47-D64 IonicContact CE1-OD2 3.95Å; H47-D64 PolarHBondContact CE1-OD2 3.24Å; H47-D64 IonicContact CG-OD2 3.51Å; H47-D64 IonicContact ND1-OD1 2.97Å; H47-D64 PolarHBondContact ND1-OD1 3.35Å; H47-D64 IonicContact ND1-OD2 3.79Å; H47-D64 PolarHBondContact ND1-OD2 3.34Å
48S91.5Very high88.4Confident5 Ų546 Ų464%0.03524%0.241CC..THydrogen-bonded Turntrans-84.51173.767.70000114.5L44 L45 R46 G50 M51L44-S48 PolarHBondContact O-N 3Å; L44-S48 VanDerWaalsContact O-N 3.11Å; L44-S48 PolarHBondContact O-OG 3.48Å; L45-S48 WeakPolarHBondContact CA-OG 3.28Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 2.72Å; R46-S48 VanDerWaalsContact C-N 3.27Å; R46-S48 PolarHBondContact O-N 2.7Å; S48-G50 PolarHBondContact O-N 3.46Å; S48-M51 VanDerWaalsContact O-CB 3.26Å; S48-M51 WeakPolarHBondContact O-CB 3.24Å; S48-M51 WeakPolarHBondContact O-CG 3.08Å; S48-M51 PolarHBondContact O-N 3.36Å
49D92.3Very high88.6Confident63 Ų6346.3 Ų46.334%0.33725%0.249SC..THydrogen-bonded Turntrans-58.5130.2-178.5-174.837.1000111.6I20 T21 L45 R46 H47 M51I20-D49 HydrophobicContact CG2-CB 4.24Å; T21-D49 PolarHBondContact N-OD1 3.09Å; T21-D49 PolarHBondContact OG1-OD1 3.25Å; L45-D49 PolarHBondContact O-N 3.11Å; R46-D49 VanDerWaalsContact O-CB 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.28Å; R46-D49 PolarHBondContact O-N 3.48Å; H47-D49 VanDerWaalsContact C-N 3.31Å; D49-M51 VanDerWaalsContact C-N 3.27Å; D49-M51 PolarHBondContact O-N 3.48Å
50G90.8Very high89.3Confident44 Ų4448 Ų4845%0.45426%0.263SS..THydrogen-bonded Turntrans76.1-1.3-174.800000115.8T21 S48T21-G50 PolarHBondContact O-N 3.43Å; S48-G50 PolarHBondContact O-N 3.46Å
51M92.7Very high89.9Confident82 Ų8252 Ų5240%0.40428%0.277SS..SBendtrans-87.3157.1-175.5-58.3-172.717900113.7T23 H47 S48 D49 L63T23-M51 PolarHBondContact N-O 2.73Å; T23-M51 PolarHBondContact OG1-O 2.86Å; H47-M51 WeakPolarHBondContact O-CE 3.3Å; S48-M51 VanDerWaalsContact O-CB 3.26Å; S48-M51 WeakPolarHBondContact O-CB 3.24Å; S48-M51 WeakPolarHBondContact O-CG 3.08Å; S48-M51 PolarHBondContact O-N 3.36Å; D49-M51 VanDerWaalsContact C-N 3.27Å; D49-M51 PolarHBondContact O-N 3.48Å; M51-L63 HydrophobicContact SD-CD1 4.45Å
52D92.8Very high90.2Very high57 Ų5755.1 Ų55.131%0.30530%0.298SS..BIsolated β-bridgetrans-81.2109.6159.3-172.5-23.2000108.4T23 R54T23-D52 CarbonylContact O-C 3.56Å; T23-D52 WeakPolarHBondContact O-CA 3.49Å; T23-D52 WeakPolarHBondContact OG1-CA 3.31Å; T23-D52 WeakPolarHBondContact OG1-CB 3.48Å; T23-D52 PolarHBondContact OG1-N 3.01Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 2.91Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 IonicContact OD2-CZ 3.63Å; D52-R54 IonicContact OD2-NE 3.73Å; D52-R54 IonicContact OD2-NH2 3.76Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å
53V93.5Very high90.3Very high11 Ų1156.3 Ų56.37%0.06730%0.304CS..  trans-86.97.2-172.9-630000113.1V22 T23 F55 L56 L57V22-V53 HydrophobicContact CB-CG1 3.7Å; V22-V53 HydrophobicContact CB-CG2 4.11Å; V22-V53 HydrophobicContact CG1-CG1 3.72Å; V22-V53 HydrophobicContact CG2-CG1 4.41Å; V22-V53 HydrophobicContact CG2-CG2 4.08Å; T23-V53 WeakPolarHBondContact O-CG2 3.27Å; T23-V53 PolarHBondContact O-N 3.23Å; V53-F55 PolarHBondContact O-N 3.4Å; V53-L56 HydrophobicContact CB-CB 4.44Å; V53-L56 HydrophobicContact CG1-CD1 4.25Å; V53-L56 PolarHBondContact O-N 3.4Å; V53-L57 HydrophobicContact CB-CD1 4.44Å; V53-L57 HydrophobicContact CB-CG 4.35Å; V53-L57 HydrophobicContact CG2-CD1 3.75Å; V53-L57 HydrophobicContact CG2-CG 4.17Å; V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.19Å; V53-L57 PolarHBondContact O-N 2.83Å
54R92.7Very high90.2Very high91 Ų9158.2 Ų58.234%0.34331%0.309SS..Hα-helixtrans-54.9-50.2-177.4-175.4-171.7-35.4-177.59113.2Y24 D52 L56 L57 D58Y24-R54 HydrophobicContact CD2-CB 4.12Å; Y24-R54 HydrophobicContact CE2-CB 4.27Å; Y24-R54 HydrophobicContact CE2-CG 4.19Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 2.91Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 IonicContact OD2-CZ 3.63Å; D52-R54 IonicContact OD2-NE 3.73Å; D52-R54 IonicContact OD2-NH2 3.76Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L57 PolarHBondContact O-N 3.46Å; R54-D58 PolarHBondContact O-N 2.97Å
55F91.9Very high90Very high88 Ų8860.6 Ų60.639%0.38634%0.339SS..Hα-helixtrans-76.5-24-178.7-58.4-57.8000112.6V53 D58 G59 S60 E61V53-F55 PolarHBondContact O-N 3.4Å; F55-D58 VanDerWaalsContact CA-OD1 3.31Å; F55-D58 WeakPolarHBondContact CA-OD1 3.49Å; F55-G59 PolarHBondContact O-N 2.94Å; F55-S60 WeakPolarHBondContact CA-OG 3.43Å; F55-S60 VanDerWaalsContact CB-OG 3.31Å; F55-S60 WeakPolarHBondContact CB-OG 3.37Å; F55-S60 WeakPolarHBondContact CD1-OG 3.43Å; F55-S60 PolarHBondContact O-N 3.38Å; F55-S60 PolarHBondContact O-OG 3.03Å; F55-E61 HydrophobicContact CB-CB 3.89Å; F55-E61 VanDerWaalsContact CB-CD 3.47Å; F55-E61 HydrophobicContact CB-CG 3.63Å; F55-E61 PolarHBondContact O-N 3.47Å
56L92.3Very high89.5Confident23 Ų2364 Ų6412%0.1235%0.353CS..Hα-helixtrans-71.8-38.6169.9-62.8-179.3000111.7V53 R54 E61 L63V53-L56 HydrophobicContact CB-CB 4.44Å; V53-L56 HydrophobicContact CG1-CD1 4.25Å; V53-L56 PolarHBondContact O-N 3.4Å; R54-L56 VanDerWaalsContact C-N 3.34Å; L56-E61 HydrophobicContact CD2-CB 3.8Å; L56-L63 HydrophobicContact CD1-CB 4.39Å; L56-L63 HydrophobicContact CD1-CD2 4.3Å; L56-L63 HydrophobicContact CD2-CB 3.92Å
57L91.2Very high89.1Confident21 Ų2160 Ų6011%0.1135%0.348CS..Hα-helixtrans-74-40.5-179.6-72.8173.9000112.4Y24 V53 R54 G59 H70 Y75 L78Y24-L57 HydrophobicContact CD2-CD1 3.68Å; Y24-L57 HydrophobicContact CE2-CD1 3.92Å; Y24-L57 HydrophobicContact CG-CD1 4.33Å; V53-L57 HydrophobicContact CB-CD1 4.44Å; V53-L57 HydrophobicContact CB-CG 4.35Å; V53-L57 HydrophobicContact CG2-CD1 3.75Å; V53-L57 HydrophobicContact CG2-CG 4.17Å; V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.19Å; V53-L57 PolarHBondContact O-N 2.83Å; R54-L57 PolarHBondContact O-N 3.46Å; L57-G59 VanDerWaalsContact C-N 3.26Å; L57-G59 PolarHBondContact O-N 2.92Å; L57-H70 HydrophobicContact CD2-CB 4.13Å; L57-H70 WeakPolarHBondContact O-CB 3.21Å; L57-H70 PolarHBondContact O-N 2.96Å; L57-H70 PolarHBondContact O-ND1 3.1Å; L57-Y75 HydrophobicContact CB-CE1 3.96Å; L57-Y75 HydrophobicContact CD1-CD1 4.5Å; L57-Y75 HydrophobicContact CD1-CE1 4.23Å; L57-Y75 PolarHBondContact O-OH 2.92Å; L57-L78 HydrophobicContact CD1-CD2 3.68Å
58D91.3Very high88.8Confident61 Ų6158.9 Ų58.933%0.32634%0.342SS..Hα-helixtrans-76-14.2178.170.818.6000113.7R54 F55 S60R54-D58 PolarHBondContact O-N 2.97Å; F55-D58 VanDerWaalsContact CA-OD1 3.31Å; F55-D58 WeakPolarHBondContact CA-OD1 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.48Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 PolarHBondContact OD1-OG 3.44Å
59G89.1Confident88.7Confident24 Ų2468.3 Ų68.325%0.24738%0.377CS..THydrogen-bonded Turntrans83.617.5178.900000114.3F55 L57 S67F55-G59 PolarHBondContact O-N 2.94Å; L57-G59 VanDerWaalsContact C-N 3.26Å; L57-G59 PolarHBondContact O-N 2.92Å; G59-S67 VanDerWaalsContact C-OG 3.25Å; G59-S67 WeakPolarHBondContact CA-OG 3.22Å; G59-S67 PolarHBondContact O-OG 3.09Å
60S90.3Very high88.6Confident78 Ų7867 Ų6755%0.54537%0.369SS..SBendtrans-83-25173.658.20000113F55 D58F55-S60 WeakPolarHBondContact CA-OG 3.43Å; F55-S60 VanDerWaalsContact CB-OG 3.31Å; F55-S60 WeakPolarHBondContact CB-OG 3.37Å; F55-S60 WeakPolarHBondContact CD1-OG 3.43Å; F55-S60 PolarHBondContact O-N 3.38Å; F55-S60 PolarHBondContact O-OG 3.03Å; D58-S60 WeakPolarHBondContact OD1-CB 3.48Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 PolarHBondContact OD1-OG 3.44Å
61E90Very high88.4Confident97 Ų9766.3 Ų66.345%0.45336%0.357SS..SBendtrans-112.3155.5172.6-77.3179.4-179.500111.5F55 L56 S67F55-E61 HydrophobicContact CB-CB 3.89Å; F55-E61 VanDerWaalsContact CB-CD 3.47Å; F55-E61 HydrophobicContact CB-CG 3.63Å; F55-E61 PolarHBondContact O-N 3.47Å; L56-E61 HydrophobicContact CD2-CB 3.8Å; E61-S67 WeakPolarHBondContact O-CB 3.3Å; E61-S67 PolarHBondContact O-OG 3.47Å
62S87.2Confident88.1Confident73 Ų7364.9 Ų64.951%0.5136%0.363SS..  trans-109137.5174.868.90000110.8K66S62-K66 CarbonylContact C-O 3.58Å; S62-K66 VanDerWaalsContact CA-O 3.22Å; S62-K66 WeakPolarHBondContact CA-O 3.05Å; S62-K66 WeakPolarHBondContact CB-O 3.41Å
63L85.2Confident87.8Confident31 Ų3162.6 Ų62.616%0.16235%0.352CS..BIsolated β-bridgetrans-109.3126.9165.7-170.666.8000108.2L44 H47 M51 L56 G65 K66L44-L63 HydrophobicContact CD2-CD2 4.43Å; L44-L63 VanDerWaalsContact O-CD2 3.25Å; L44-L63 WeakPolarHBondContact O-CD2 3.36Å; H47-L63 HydrophobicContact CB-CD1 4.29Å; H47-L63 HydrophobicContact CB-CD2 4.15Å; H47-L63 HydrophobicContact CB-CG 4.42Å; M51-L63 HydrophobicContact SD-CD1 4.45Å; L56-L63 HydrophobicContact CD1-CB 4.39Å; L56-L63 HydrophobicContact CD1-CD2 4.3Å; L56-L63 HydrophobicContact CD2-CB 3.92Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.24Å; L63-K66 PolarHBondContact N-O 3.47Å; L63-K66 PolarHBondContact O-N 3.46Å
64D83.2Confident87.5Confident90 Ų9063.3 Ų63.348%0.48136%0.359SS..THydrogen-bonded Turntrans52.440.8-175.7-56.8-27.9000113.9L44 H47 K66L44-D64 HydrophobicContact CD2-CB 4.27Å; L44-D64 WeakPolarHBondContact CD2-OD2 3.24Å; H47-D64 IonicContact CE1-OD2 3.95Å; H47-D64 PolarHBondContact CE1-OD2 3.24Å; H47-D64 IonicContact CG-OD2 3.51Å; H47-D64 IonicContact ND1-OD1 2.97Å; H47-D64 PolarHBondContact ND1-OD1 3.35Å; H47-D64 IonicContact ND1-OD2 3.79Å; H47-D64 PolarHBondContact ND1-OD2 3.34Å; D64-K66 PolarHBondContact O-N 2.92Å
65G81.5Confident87.4Confident72 Ų7260.6 Ų60.674%0.74235%0.349SS*.THydrogen-bonded Turntrans69.67.8-178.800000114.6L63L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.24Å
66K78.6Confident87.1Confident93 Ų9359.4 Ų59.440%0.40434%0.342SS..BIsolated β-bridgetrans-108.5129.5176.6-63.2169.3-173.2159.80109.4S62 L63 D64S62-K66 CarbonylContact C-O 3.58Å; S62-K66 VanDerWaalsContact CA-O 3.22Å; S62-K66 WeakPolarHBondContact CA-O 3.05Å; S62-K66 WeakPolarHBondContact CB-O 3.41Å; L63-K66 PolarHBondContact N-O 3.47Å; L63-K66 PolarHBondContact O-N 3.46Å; D64-K66 PolarHBondContact O-N 2.92Å
67S83.1Confident86.8Confident61 Ų6159 Ų5943%0.42734%0.339SS..  trans-136.2135.1170.2-170.30000109.2G59 E61G59-S67 VanDerWaalsContact C-OG 3.25Å; G59-S67 WeakPolarHBondContact CA-OG 3.22Å; G59-S67 PolarHBondContact O-OG 3.09Å; E61-S67 WeakPolarHBondContact O-CB 3.3Å; E61-S67 PolarHBondContact O-OG 3.47Å
68H83.7Confident86.8Confident71 Ų7158.8 Ų58.833%0.32934%0.338SS..  trans-156.1149.9171.669.2-68.7000108.9H70H68-H70 AromaticContact CE1-CE1 3.47Å; H68-H70 PolarHBondContact CE1-CE1 3.29Å; H68-H70 VanDerWaalsContact CE1-CE1 3.47Å; H68-H70 AromaticContact CE1-NE2 3.84Å; H68-H70 AromaticContact NE2-CE1 3.58Å; H68-H70 AromaticContact NE2-ND1 3.8Å; H68-H70 AromaticContact NE2-NE2 3.75Å; H68-H70 PolarHBondContact O-N 3.08Å; H68-H70 PolarHBondContact O-ND1 3.48Å
69R89Confident86.6Confident204 Ų20459.9 Ų59.977%0.7734%0.34SS*.PPolyproline II helixtrans-76.1124.5173.5-177.3176.2177.4-175.41.3109.5
70H89.7Confident86.4Confident36 Ų3662 Ų6217%0.16736%0.362CS..PPolyproline II helixtrans-72.5150.2175.8-72.666.1000111.2L57 H68 A74 Y75L57-H70 HydrophobicContact CD2-CB 4.13Å; L57-H70 WeakPolarHBondContact O-CB 3.21Å; L57-H70 PolarHBondContact O-N 2.96Å; L57-H70 PolarHBondContact O-ND1 3.1Å; H68-H70 AromaticContact CE1-CE1 3.47Å; H68-H70 PolarHBondContact CE1-CE1 3.29Å; H68-H70 VanDerWaalsContact CE1-CE1 3.47Å; H68-H70 AromaticContact CE1-NE2 3.84Å; H68-H70 AromaticContact NE2-CE1 3.58Å; H68-H70 AromaticContact NE2-ND1 3.8Å; H68-H70 AromaticContact NE2-NE2 3.75Å; H68-H70 PolarHBondContact O-N 3.08Å; H68-H70 PolarHBondContact O-ND1 3.48Å; H70-A74 HydrophobicContact CB-CB 3.81Å; H70-Y75 HydrophobicContact CB-CE2 4.37Å
71S87.7Confident86.3Confident29 Ų2960 Ų6020%0.20334%0.343CS..PPolyproline II helixtrans-76.2164.7-179.977.10000112.4S73 A74 Y75 F310S71-S73 PolarHBondContact O-N 3.35Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S71-S73 PolarHBondContact OG-N 2.99Å; S71-A74 WeakPolarHBondContact O-CB 3.44Å; S71-A74 PolarHBondContact O-N 3.29Å; S71-Y75 WeakPolarHBondContact O-CD2 3.43Å; S71-Y75 PolarHBondContact O-N 3.12Å; S71-F310 WeakPolarHBondContact CB-O 3.41Å; S71-F310 PolarHBondContact OG-O 3.18Å
72G86.6Confident86.2Confident51 Ų5156.7 Ų56.753%0.52633%0.33SS..Hα-helixtrans-54.4-32.4173.400000113.4Y75 R76G72-Y75 PolarHBondContact O-N 2.94Å; G72-R76 PolarHBondContact O-N 3.38Å
73S85Confident86Confident9 Ų954.8 Ų54.86%0.06332%0.316CS..Hα-helixtrans-64.5-38.6175.4-590000112.4S71 Y75 R76 I77S71-S73 PolarHBondContact O-N 3.35Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S71-S73 PolarHBondContact OG-N 2.99Å; S73-Y75 PolarHBondContact O-N 3.22Å; S73-R76 PolarHBondContact O-N 2.54Å; S73-R76 PolarHBondContact OG-NH2 3.12Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.11Å
74A88.3Confident85.3Confident26 Ų2655.5 Ų55.522%0.21532%0.319CS..Hα-helixtrans-63.1-42177.900000111.9H70 S71 R76 I77 L78H70-A74 HydrophobicContact CB-CB 3.81Å; S71-A74 WeakPolarHBondContact O-CB 3.44Å; S71-A74 PolarHBondContact O-N 3.29Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.75Å; A74-I77 PolarHBondContact O-N 3.5Å; A74-L78 WeakPolarHBondContact O-CB 3.19Å; A74-L78 PolarHBondContact O-N 2.98Å
75Y90Very high84.2Confident35 Ų3553.1 Ų53.114%0.13732%0.316CS..Hα-helixtrans-64.4-35.7174.6-64.4-82.5000112.5Y24 L57 H70 S71 G72 S73 K79Y24-Y75 HydrophobicContact CE1-CD1 4.43Å; Y24-Y75 HydrophobicContact CE2-CD1 4.37Å; Y24-Y75 HydrophobicContact CE2-CE1 4.02Å; Y24-Y75 AromaticContact CZ-CD1 3.87Å; Y24-Y75 AromaticContact CZ-CE1 3.85Å; Y24-Y75 WeakPolarHBondContact OH-CD1 3.34Å; Y24-Y75 WeakPolarHBondContact OH-CE1 3.33Å; L57-Y75 HydrophobicContact CB-CE1 3.96Å; L57-Y75 HydrophobicContact CD1-CD1 4.5Å; L57-Y75 HydrophobicContact CD1-CE1 4.23Å; L57-Y75 PolarHBondContact O-OH 2.92Å; H70-Y75 HydrophobicContact CB-CE2 4.37Å; S71-Y75 WeakPolarHBondContact O-CD2 3.43Å; S71-Y75 PolarHBondContact O-N 3.12Å; G72-Y75 PolarHBondContact O-N 2.94Å; S73-Y75 PolarHBondContact O-N 3.22Å; Y75-K79 WeakPolarHBondContact O-CG 3.37Å; Y75-K79 PolarHBondContact O-N 3.15Å
76R86.1Confident82.5Confident62 Ų6254.5 Ų54.523%0.23432%0.32CS..Hα-helixtrans-66.5-45.5174.5-76.8-171.7-84.9101.10111.6G72 S73 A74 L78 K79 E126G72-R76 PolarHBondContact O-N 3.38Å; S73-R76 PolarHBondContact O-N 2.54Å; S73-R76 PolarHBondContact OG-NH2 3.12Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.75Å; R76-L78 PolarHBondContact O-N 3.2Å; R76-K79 WeakPolarHBondContact O-CB 3.17Å; R76-K79 PolarHBondContact O-N 2.93Å; R76-E126 IonicContact CZ-OE2 2.72Å; R76-E126 IonicContact NE-OE2 3.46Å
77I86.5Confident80.5Confident15 Ų1555 Ų558%0.07733%0.331CS..Hα-helixtrans-59.8-45.6176.2-72.3165.9000110.8F34 S73 A74 K79 G80 Y81 F310F34-I77 HydrophobicContact CD2-CG2 4.19Å; F34-I77 HydrophobicContact CE1-CG2 4.36Å; F34-I77 HydrophobicContact CE2-CG2 3.81Å; F34-I77 HydrophobicContact CZ-CG2 3.91Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.11Å; A74-I77 PolarHBondContact O-N 3.5Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.69Å; I77-G80 PolarHBondContact O-N 2.99Å; I77-Y81 HydrophobicContact CG2-CD2 4.34Å; I77-Y81 HydrophobicContact CG2-CE2 3.67Å; I77-Y81 VanDerWaalsContact O-CD2 3.28Å; I77-Y81 WeakPolarHBondContact O-CD2 3.5Å; I77-F310 HydrophobicContact CD1-CD1 4.2Å; I77-F310 HydrophobicContact CD1-CE1 3.73Å
78L90.6Very high78.3Confident16 Ų1654.9 Ų54.98%0.08433%0.33CS..Hα-helixtrans-55.5-40.5177.9-178.963.5000112.2V22 Y24 Y29 V31 L57 A74 R76 G80 Y81V22-L78 HydrophobicContact CG2-CD1 4.29Å; Y24-L78 HydrophobicContact CD1-CD2 4.03Å; Y24-L78 HydrophobicContact CD2-CD2 4.49Å; Y24-L78 HydrophobicContact CG-CD2 3.89Å; Y29-L78 HydrophobicContact CD1-CD1 3.84Å; Y29-L78 HydrophobicContact CD1-CG 3.88Å; Y29-L78 WeakPolarHBondContact CD1-O 3.49Å; Y29-L78 HydrophobicContact CD2-CD1 4.28Å; Y29-L78 HydrophobicContact CD2-CG 4.46Å; Y29-L78 HydrophobicContact CE1-CD1 4.45Å; Y29-L78 HydrophobicContact CE1-CG 4Å; Y29-L78 VanDerWaalsContact CE1-O 3.3Å; Y29-L78 WeakPolarHBondContact CE1-O 3.26Å; Y29-L78 HydrophobicContact CG-CD1 3.73Å; Y29-L78 HydrophobicContact CG-CG 4.13Å; V31-L78 HydrophobicContact CG1-CD1 3.93Å; L57-L78 HydrophobicContact CD1-CD2 3.68Å; A74-L78 WeakPolarHBondContact O-CB 3.19Å; A74-L78 PolarHBondContact O-N 2.98Å; R76-L78 PolarHBondContact O-N 3.2Å; L78-G80 PolarHBondContact O-N 2.75Å; L78-Y81 PolarHBondContact O-N 3.4Å
79K87.4Confident75.8Confident84 Ų8456.4 Ų56.437%0.36536%0.355SS..Hα-helixtrans-56.5-33178-71.9176.1-179.7179.80112.8Y75 R76 I77 Y81 S82Y75-K79 WeakPolarHBondContact O-CG 3.37Å; Y75-K79 PolarHBondContact O-N 3.15Å; R76-K79 WeakPolarHBondContact O-CB 3.17Å; R76-K79 PolarHBondContact O-N 2.93Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.69Å; K79-Y81 PolarHBondContact O-N 2.99Å; K79-S82 PolarHBondContact O-N 3.18Å
80G85.2Confident73.2Confident68 Ų6851.6 Ų51.670%0.70135%0.348SS*.Hα-helixtrans-65.6-19.4177.600000114.3I77 L78I77-G80 PolarHBondContact O-N 2.99Å; L78-G80 PolarHBondContact O-N 2.75Å
81Y87.4Confident70.4Confident37 Ų3756 Ų5615%0.14538%0.381CS..THydrogen-bonded Turntrans-99.311.1-178.8-63.7-67.5000113.6Y29 D30 V31 P33 F34 I77 L78 K79 V83Y29-Y81 CarbonylContact C-O 3.6Å; Y29-Y81 VanDerWaalsContact CA-O 3.24Å; Y29-Y81 WeakPolarHBondContact CA-O 3.47Å; D30-Y81 PolarHBondContact N-O 3.15Å; D30-Y81 WeakPolarHBondContact O-CB 3.03Å; D30-Y81 WeakPolarHBondContact O-CD1 3.48Å; V31-Y81 HydrophobicContact CG1-CG 4.49Å; P33-Y81 HydrophobicContact CB-CE1 4.28Å; P33-Y81 HydrophobicContact CG-CD1 3.76Å; P33-Y81 HydrophobicContact CG-CE1 3.53Å; F34-Y81 HydrophobicContact CB-CD2 4.38Å; F34-Y81 HydrophobicContact CB-CE1 4.18Å; F34-Y81 HydrophobicContact CB-CE2 3.69Å; F34-Y81 AromaticContact CD2-CE2 3.92Å; F34-Y81 HydrophobicContact CD2-CE2 3.92Å; F34-Y81 AromaticContact CD2-CZ 3.99Å; F34-Y81 WeakPolarHBondContact CD2-OH 3.41Å; F34-Y81 AromaticContact CG-CE2 3.81Å; F34-Y81 HydrophobicContact CG-CE2 3.81Å; I77-Y81 HydrophobicContact CG2-CD2 4.34Å; I77-Y81 HydrophobicContact CG2-CE2 3.67Å; I77-Y81 VanDerWaalsContact O-CD2 3.28Å; I77-Y81 WeakPolarHBondContact O-CD2 3.5Å; L78-Y81 PolarHBondContact O-N 3.4Å; K79-Y81 PolarHBondContact O-N 2.99Å; Y81-V83 PolarHBondContact O-N 3.19Å
82S88.4Confident67.7Low28 Ų2858.9 Ų58.920%0.19640%0.397CS..BIsolated β-bridgetrans-66.3125.5-179.9-175.60000111.5K79 L84K79-S82 PolarHBondContact O-N 3.18Å; S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 3.45Å
83V83.7Confident64.8Low33 Ų3362.3 Ų62.320%0.241%0.41CS..SBendtrans-67.7-31.2-178.7170.90000112.7L9 L13 L28 D30 Y81L9-V83 HydrophobicContact CD2-CG1 3.96Å; L9-V83 HydrophobicContact CG-CG1 4.34Å; L13-V83 HydrophobicContact CD1-CB 4.11Å; L13-V83 HydrophobicContact CD1-CG1 3.26Å; L13-V83 HydrophobicContact CD1-CG2 3.64Å; L28-V83 HydrophobicContact CB-CG2 4.46Å; L28-V83 HydrophobicContact CD2-CB 4.44Å; L28-V83 HydrophobicContact CD2-CG2 4.08Å; L28-V83 HydrophobicContact CG-CG2 4.06Å; L28-V83 PolarHBondContact O-N 3.25Å; D30-V83 HydrophobicContact CB-CG2 3.97Å; Y81-V83 PolarHBondContact O-N 3.19Å
84L70.7Confident62.3Low46 Ų4664.5 Ų64.524%0.24142%0.422CS..SBendtrans-112.82.2-168.2-69.2-178.7000114.6M1 K6 L9 Q10 S82M1-L84 HydrophobicContact CE-CD2 3.41Å; M1-L84 VanDerWaalsContact CE-CD2 3.41Å; K6-L84 HydrophobicContact CB-CD1 4.16Å; K6-L84 HydrophobicContact CB-CD2 4.12Å; K6-L84 HydrophobicContact CD-CD1 4.2Å; K6-L84 HydrophobicContact CD-CD2 4.29Å; K6-L84 HydrophobicContact CG-CD1 4.34Å; K6-L84 HydrophobicContact CG-CD2 3.85Å; L9-L84 HydrophobicContact CD2-CD2 4.44Å; Q10-L84 HydrophobicContact CG-CD1 3.99Å; Q10-L84 HydrophobicContact CG-CG 4.47Å; Q10-L84 VanDerWaalsContact NE2-CD1 3.3Å; S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 3.45Å
85G58.8Low59.4Low39 Ų3970.7 Ų70.740%0.40245%0.451SS..  trans61.4165.4-168.200000111.7V87G85-V87 VanDerWaalsContact C-N 3.31Å; G85-V87 PolarHBondContact O-N 3.31Å
86A46.1Very low56.5Low102 Ų10273.8 Ų73.884%0.84348%0.477SS*.SBendtrans-60.885-177.700000112.6
87V36.1Very low54.1Low102 Ų10272.4 Ų72.462%0.61848%0.477SS*.  trans-133.267.4172.1-1670000107.5G85G85-V87 VanDerWaalsContact C-N 3.31Å; G85-V87 PolarHBondContact O-N 3.31Å
88S36.7Very low51.7Low59 Ų5976.9 Ų76.941%0.41351%0.505SS..  trans-134118.4161.2-166.90000109.7T90S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 3.1Å
89A32.1Very low49.7Very low104 Ų10476.8 Ų76.886%0.8651%0.505SS*.SBendtrans-75.978175.300000109.2
90T33.5Very low48.2Very low102 Ų10277.1 Ų77.163%0.62651%0.511SS*.  trans-164.8117.6154.6280000107.1S88 V92S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 3.1Å; T90-V92 PolarHBondContact O-N 3.2Å
91P30.8Very low47.4Very low130 Ų13078.6 Ų78.684%0.84451%0.51SS*.  trans-77.793.9173.730.3-27.2000107.6P93P91-P93 WeakPolarHBondContact O-CD 3.37Å
92V32.1Very low47.2Very low89 Ų8978.8 Ų78.854%0.53951%0.513SS..  trans-71.9121149.6-174.50000104.9T90 V94T90-V92 PolarHBondContact O-N 3.2Å; V92-V94 HydrophobicContact CG1-CG2 3.98Å; V92-V94 PolarHBondContact O-N 3.09Å
93P26.1Very low47.2Very low123 Ų12377.7 Ų77.780%0.79951%0.506SS*.  trans-7470.1-178.631.4-33.3000109.3P91 L95P91-P93 WeakPolarHBondContact O-CD 3.37Å; P93-L95 PolarHBondContact O-N 3.29Å
94V32Very low47.5Very low54 Ų5479.3 Ų79.333%0.32751%0.513SS..  trans-88.693.9161.6-175.30000105.2V92 C96V92-V94 HydrophobicContact CG1-CG2 3.98Å; V92-V94 PolarHBondContact O-N 3.09Å; V94-C96 PolarHBondContact O-N 3.13Å
95L27.9Very low48.2Very low156 Ų15681.1 Ų81.182%0.81753%0.526SS*.  trans-17.292.1171.3-121.285.1000110.5P93 S97P93-L95 PolarHBondContact O-N 3.29Å; L95-S97 PolarHBondContact O-N 3.48Å
96C28.2Very low49.5Very low101 Ų10183.6 Ų83.668%0.68254%0.537SS*.  trans-75.993165.6-141.10000102.8V94 T98V94-C96 PolarHBondContact O-N 3.13Å; C96-T98 PolarHBondContact O-N 2.89Å
97S35.2Very low51.6Low33 Ų3385.3 Ų85.323%0.23152%0.522CS..  trans-55.7126.7177.362.30000106.7L95 V99 E126L95-S97 PolarHBondContact O-N 3.48Å; S97-V99 PolarHBondContact O-N 2.71Å; S97-E126 PolarHBondContact OG-OE2 2.84Å
98T37.5Very low54.3Low108 Ų10880.8 Ų80.866%0.66350%0.495SS*.THydrogen-bonded Turntrans-66.126.8175.349.90000112C96 S101C96-T98 PolarHBondContact O-N 2.89Å; T98-S101 PolarHBondContact O-OG 3.25Å
99V48Very low57Low15 Ų1578 Ų789%0.09148%0.475CS..THydrogen-bonded Turntrans-96.2-35.1-160.5178.10000110.3S97 S101 L102 W123 E126S97-V99 PolarHBondContact O-N 2.71Å; V99-S101 PolarHBondContact O-N 3.37Å; V99-L102 HydrophobicContact CG1-CD1 4.3Å; V99-L102 VanDerWaalsContact O-CB 3.31Å; V99-L102 WeakPolarHBondContact O-CB 3.45Å; V99-L102 WeakPolarHBondContact O-CG 3.37Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.1Å; V99-W123 HydrophobicContact CG1-CB 3.88Å; V99-W123 HydrophobicContact CG1-CG 4.05Å; V99-W123 VanDerWaalsContact O-CD1 3.29Å; V99-E126 VanDerWaalsContact CB-OE2 3.24Å; V99-E126 WeakPolarHBondContact CB-OE2 3.28Å; V99-E126 HydrophobicContact CG1-CG 4.49Å; V99-E126 WeakPolarHBondContact CG1-OE2 3.25Å
100D55.9Low60Low91 Ų9174.1 Ų74.149%0.48744%0.441SS..G310 helixtrans-69.8-16.9170.6-75.3-24000112.9L102 K231D100-L102 PolarHBondContact O-N 3.15Å; D100-K231 IonicContact OD1-NZ 3.86Å
101S67.9Low62.9Low98 Ų9875.5 Ų75.569%0.68544%0.44SS*.G310 helixtrans-75.4-5170.554.40000114.4T98 V99T98-S101 PolarHBondContact O-OG 3.25Å; V99-S101 PolarHBondContact O-N 3.37Å
102L83.8Confident65.9Low41 Ų4171.2 Ų71.222%0.21541%0.409CS..G310 helixtrans-83.3-23-176.1-59.1-178.7000113.8V99 D100 L116 R119V99-L102 HydrophobicContact CG1-CD1 4.3Å; V99-L102 VanDerWaalsContact O-CB 3.31Å; V99-L102 WeakPolarHBondContact O-CB 3.45Å; V99-L102 WeakPolarHBondContact O-CG 3.37Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.1Å; D100-L102 PolarHBondContact O-N 3.15Å; L102-L116 HydrophobicContact CB-CD2 3.55Å; L102-L116 HydrophobicContact CD1-CD2 4Å; L102-L116 HydrophobicContact CG-CD2 4.39Å; L102-R119 HydrophobicContact CD1-CB 4.11Å; L102-R119 VanDerWaalsContact CD2-CZ 3.45Å
103V87.9Confident68.9Low6 Ų667 Ų674%0.03638%0.383CS..SBendtrans-133127.8-178.3176.50000108.7T105 V109 Q112 L116 W123V103-T105 PolarHBondContact O-N 3.15Å; V103-V109 HydrophobicContact CG1-CB 4.4Å; V103-V109 HydrophobicContact CG1-CG1 4.04Å; V103-V109 HydrophobicContact CG1-CG2 3.92Å; V103-Q112 HydrophobicContact CG1-CB 4.25Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; V103-L116 HydrophobicContact CG2-CD2 3.95Å; V103-L116 HydrophobicContact CG2-CG 4.25Å; V103-W123 HydrophobicContact CB-CZ2 3.9Å; V103-W123 HydrophobicContact CG1-CZ2 4.16Å; V103-W123 HydrophobicContact CG2-CD2 4.34Å; V103-W123 HydrophobicContact CG2-CH2 4.35Å; V103-W123 HydrophobicContact CG2-CZ2 3.6Å
104D89.3Confident72Confident67 Ų6761.9 Ų61.936%0.35835%0.353SS..  trans-77101.3171.4178.72.9000109.4S106 R107 Q112D104-S106 VanDerWaalsContact CG-OG 3.26Å; D104-S106 PolarHBondContact O-N 3.4Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.42Å; D104-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact OD1-OG 3.46Å; D104-S106 PolarHBondContact OD2-OG 2.97Å; D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 WeakPolarHBondContact OD2-CD 3.48Å; D104-R107 WeakPolarHBondContact OD2-CG 3.29Å; D104-Q112 PolarHBondContact O-NE2 3.16Å
105T86Confident75Confident84 Ų8462.7 Ų62.752%0.51537%0.365SS..THydrogen-bonded Turntrans-69.7-11.2-178.957.40000113.5V103 R107 L132V103-T105 PolarHBondContact O-N 3.15Å; T105-R107 PolarHBondContact O-N 3.5Å; T105-L132 HydrophobicContact CG2-CD2 3.7Å
106S85.7Confident78.1Confident91 Ų9155.3 Ų55.364%0.63633%0.327SS*.THydrogen-bonded Turntrans-75.1-14.7171.778.80000112.7D104D104-S106 VanDerWaalsContact CG-OG 3.26Å; D104-S106 PolarHBondContact O-N 3.4Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.42Å; D104-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact OD1-OG 3.46Å; D104-S106 PolarHBondContact OD2-OG 2.97Å
107R90.2Very high81.3Confident138 Ų13856.4 Ų56.452%0.52132%0.32SS..SBendtrans-114.6159.6-179.2-64.2179.871.2-173.40.3111D104 T105 V109 Q112D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 WeakPolarHBondContact OD2-CD 3.48Å; D104-R107 WeakPolarHBondContact OD2-CG 3.29Å; T105-R107 PolarHBondContact O-N 3.5Å; R107-V109 PolarHBondContact O-N 3.26Å; R107-Q112 PolarHBondContact O-NE2 2.86Å
108P93.6Very high84Confident7 Ų760.5 Ų60.55%0.04534%0.339CS..  trans-52.5125.6173.8-32.542000112.5Q112 R133 L134 F135 H136P108-Q112 PolarHBondContact O-NE2 2.72Å; P108-R133 WeakPolarHBondContact CA-O 3.19Å; P108-R133 HydrophobicContact CG-CG 4.32Å; P108-L134 WeakPolarHBondContact CB-O 3.46Å; P108-F135 VanDerWaalsContact CG-C 3.49Å; P108-H136 HydrophobicContact CG-CB 4.32Å
109V94Very high86.7Confident0 Ų060.8 Ų60.80%033%0.328CS..SBendtrans-79-34.4-170.7170.90000112.2V103 R107 E111 Q112 I113 W123 L132 R133 F223V103-V109 HydrophobicContact CG1-CB 4.4Å; V103-V109 HydrophobicContact CG1-CG1 4.04Å; V103-V109 HydrophobicContact CG1-CG2 3.92Å; R107-V109 PolarHBondContact O-N 3.26Å; V109-E111 PolarHBondContact O-N 3.44Å; V109-E111 VanDerWaalsContact O-N 3.16Å; V109-Q112 WeakPolarHBondContact O-CA 3.43Å; V109-Q112 WeakPolarHBondContact O-CB 3.41Å; V109-Q112 PolarHBondContact O-N 3.23Å; V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; V109-I113 VanDerWaalsContact O-N 3.14Å; V109-W123 HydrophobicContact CG1-CH2 3.78Å; V109-W123 HydrophobicContact CG1-CZ2 4.4Å; V109-L132 HydrophobicContact CG2-CB 4.07Å; V109-L132 HydrophobicContact CG2-CD1 4.28Å; V109-L132 HydrophobicContact CG2-CD2 4.23Å; V109-L132 HydrophobicContact CG2-CG 4.42Å; V109-R133 PolarHBondContact N-O 3.01Å; V109-F223 HydrophobicContact CB-CE1 4.5Å; V109-F223 HydrophobicContact CB-CZ 4.48Å; V109-F223 HydrophobicContact CG1-CE1 3.92Å; V109-F223 HydrophobicContact CG1-CE2 4.41Å; V109-F223 HydrophobicContact CG1-CZ 3.67Å
110V94.4Very high88.9Confident22 Ų2260.3 Ų60.313%0.13333%0.325CS..Hα-helixtrans-56.7-37.5-174.2174.70000112.1Q112 L134 F135 A220 F223 I224V110-Q112 VanDerWaalsContact C-N 3.3Å; V110-Q112 PolarHBondContact O-N 3.29Å; V110-L134 WeakPolarHBondContact CB-O 3.28Å; V110-L134 HydrophobicContact CG2-CB 3.98Å; V110-L134 WeakPolarHBondContact CG2-O 3.45Å; V110-F135 HydrophobicContact CB-CE1 4.39Å; V110-F135 HydrophobicContact CG1-CE1 4.27Å; V110-F135 HydrophobicContact CG2-CE1 4.1Å; V110-F135 HydrophobicContact CG2-CZ 4.3Å; V110-A220 HydrophobicContact CG1-CB 4.16Å; V110-F223 HydrophobicContact CG2-CD1 4.19Å; V110-F223 HydrophobicContact CG2-CE1 4.18Å; V110-I224 HydrophobicContact CG1-CD1 4.29Å; V110-I224 HydrophobicContact CG2-CD1 4.38Å; V110-I224 HydrophobicContact CG2-CG1 4.36Å
111E93.7Very high90.7Very high131 Ų13158 Ų5861%0.61231%0.309SS*.Hα-helixtrans-73.1-22.9178.9-64.5179.1176.700113.3V109 H136V109-E111 PolarHBondContact O-N 3.44Å; V109-E111 VanDerWaalsContact O-N 3.16Å; E111-H136 VanDerWaalsContact CD-CD2 3.47Å; E111-H136 VanDerWaalsContact CD-NE2 3.32Å; E111-H136 IonicContact OE1-CD2 3.05Å; E111-H136 PolarHBondContact OE1-CD2 3.49Å; E111-H136 IonicContact OE1-NE2 3.37Å; E111-H136 PolarHBondContact OE1-NE2 2.9Å; E111-H136 IonicContact OE2-CD2 3.38Å; E111-H136 PolarHBondContact OE2-CD2 3.18Å; E111-H136 IonicContact OE2-CE1 3.93Å; E111-H136 IonicContact OE2-NE2 2.74Å; E111-H136 PolarHBondContact OE2-NE2 3.15Å
112Q94.7Very high91.9Very high40 Ų4056.1 Ų56.119%0.18730%0.296CS..Hα-helixtrans-88.1-22.7-179.5-60.517968.600112.1V103 D104 R107 P108 V109 V110 G114 A115V103-Q112 HydrophobicContact CG1-CB 4.25Å; D104-Q112 PolarHBondContact O-NE2 3.16Å; R107-Q112 PolarHBondContact O-NE2 2.86Å; P108-Q112 PolarHBondContact O-NE2 2.72Å; V109-Q112 WeakPolarHBondContact O-CA 3.43Å; V109-Q112 WeakPolarHBondContact O-CB 3.41Å; V109-Q112 PolarHBondContact O-N 3.23Å; V110-Q112 VanDerWaalsContact C-N 3.3Å; V110-Q112 PolarHBondContact O-N 3.29Å; Q112-G114 VanDerWaalsContact C-N 3.28Å; Q112-G114 PolarHBondContact O-N 3.37Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 3.38Å
113I94.3Very high92.3Very high0 Ų054.3 Ų54.30%029%0.286CS..Hα-helixtrans-51.1-46.7-176-68.5-53.1000111.9V109 A115 L116 Y120 W123 M219 F223V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; V109-I113 VanDerWaalsContact O-N 3.14Å; I113-A115 PolarHBondContact O-N 2.91Å; I113-A115 VanDerWaalsContact O-N 3.09Å; I113-L116 HydrophobicContact CD1-CD1 4.08Å; I113-L116 VanDerWaalsContact O-CB 3.28Å; I113-L116 WeakPolarHBondContact O-CB 3.32Å; I113-L116 PolarHBondContact O-N 3.02Å; I113-Y120 HydrophobicContact CD1-CE2 4.28Å; I113-Y120 HydrophobicContact CG2-CD2 3.75Å; I113-Y120 HydrophobicContact CG2-CE2 3.49Å; I113-Y120 VanDerWaalsContact CG2-CE2 3.49Å; I113-W123 HydrophobicContact CD1-CE3 4.37Å; I113-W123 HydrophobicContact CD1-CH2 3.87Å; I113-W123 HydrophobicContact CD1-CZ3 3.55Å; I113-M219 HydrophobicContact CG2-CB 3.72Å; I113-M219 HydrophobicContact CG2-CE 3.83Å; I113-M219 WeakPolarHBondContact O-CE 3.21Å; I113-F223 HydrophobicContact CD1-CD1 4.22Å; I113-F223 HydrophobicContact CD1-CD2 3.85Å; I113-F223 HydrophobicContact CD1-CE1 4.37Å; I113-F223 HydrophobicContact CD1-CE2 4.09Å; I113-F223 HydrophobicContact CD1-CG 3.96Å; I113-F223 HydrophobicContact CD1-CZ 4.33Å; I113-F223 HydrophobicContact CG1-CB 4.29Å; I113-F223 HydrophobicContact CG1-CD1 3.99Å; I113-F223 HydrophobicContact CG1-CD2 4.4Å; I113-F223 HydrophobicContact CG1-CE1 4.41Å; I113-F223 HydrophobicContact CG1-CG 3.98Å
114G92.8Very high92.6Very high16 Ų1654 Ų5417%0.16528%0.284CS..G310 helixtrans-55.3-29.5-178.900000114.9Q112 L116Q112-G114 VanDerWaalsContact C-N 3.28Å; Q112-G114 PolarHBondContact O-N 3.37Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.37Å
115A94Very high92.6Very high72 Ų7251.5 Ų51.560%0.59527%0.27SS*.G310 helixtrans-75.7-14.8-179.700000113.3Q112 I113Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 3.38Å; I113-A115 PolarHBondContact O-N 2.91Å; I113-A115 VanDerWaalsContact O-N 3.09Å
116L94Very high92.8Very high1 Ų148.9 Ų48.91%0.00525%0.252CS..G310 helixtrans-70.5-31.3179.4-67.4172.1000112.7L102 V103 I113 G114 D118 R119 Y120 W123 M219L102-L116 HydrophobicContact CB-CD2 3.55Å; L102-L116 HydrophobicContact CD1-CD2 4Å; L102-L116 HydrophobicContact CG-CD2 4.39Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; V103-L116 HydrophobicContact CG2-CD2 3.95Å; V103-L116 HydrophobicContact CG2-CG 4.25Å; I113-L116 HydrophobicContact CD1-CD1 4.08Å; I113-L116 VanDerWaalsContact O-CB 3.28Å; I113-L116 WeakPolarHBondContact O-CB 3.32Å; I113-L116 PolarHBondContact O-N 3.02Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.37Å; L116-D118 PolarHBondContact O-N 3.5Å; L116-R119 WeakPolarHBondContact O-CB 3.24Å; L116-R119 PolarHBondContact O-N 2.82Å; L116-Y120 HydrophobicContact CD1-CD2 4Å; L116-W123 HydrophobicContact CD1-CB 4.31Å; L116-W123 HydrophobicContact CD1-CD2 3.64Å; L116-W123 HydrophobicContact CD1-CE3 3.52Å; L116-W123 HydrophobicContact CD1-CG 3.98Å; L116-W123 HydrophobicContact CD1-CZ3 4.11Å; L116-W123 HydrophobicContact CD2-CB 4.48Å; L116-W123 HydrophobicContact CD2-CG 4.26Å; L116-M219 HydrophobicContact CB-CE 4.42Å
117K93.9Very high92.9Very high124 Ų12444.7 Ų44.754%0.53922%0.223SC..G310 helixtrans49.4-122.8-179.6-63.5-174177.5-176.40111.8R119 Y120 V213K117-R119 PolarHBondContact O-N 3.18Å; K117-Y120 WeakPolarHBondContact O-CB 3.4Å; K117-Y120 PolarHBondContact O-N 3.17Å; K117-Y120 VanDerWaalsContact O-N 3.13Å; K117-V213 HydrophobicContact CB-CG1 3.76Å
118D93.5Very high92.7Very high118 Ų11839.4 Ų39.463%0.63121%0.206SC*.G310 helixtrans-61.1-24.5178.758.1-57.4000113.3L116 Y120 V213L116-D118 PolarHBondContact O-N 3.5Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 3.15Å; D118-V213 HydrophobicContact CB-CG1 4.44Å
119R93.2Very high92Very high114 Ų11440.8 Ų40.843%0.4322%0.216SC..G310 helixtrans-82.9-5.4178.6-55.8179.4-66.6-175.32.4113.6L102 L116 K117 W121 S122 W123L102-R119 HydrophobicContact CD1-CB 4.11Å; L102-R119 VanDerWaalsContact CD2-CZ 3.45Å; L116-R119 WeakPolarHBondContact O-CB 3.24Å; L116-R119 PolarHBondContact O-N 2.82Å; K117-R119 PolarHBondContact O-N 3.18Å; R119-W121 PolarHBondContact O-N 2.86Å; R119-S122 PolarHBondContact O-OG 3.46Å; R119-W123 VanDerWaalsContact O-CB 3.23Å; R119-W123 WeakPolarHBondContact O-CB 3.48Å; R119-W123 PolarHBondContact O-N 2.93Å
120Y95Very high91.3Very high5 Ų546.6 Ų46.62%0.0225%0.247CC..Hα-helixtrans-58.1-48.3-179.1172.6-108.7000112.1I113 L116 K117 D118 S122 W123 I124 P211 M219 H222 F223I113-Y120 HydrophobicContact CD1-CE2 4.28Å; I113-Y120 HydrophobicContact CG2-CD2 3.75Å; I113-Y120 HydrophobicContact CG2-CE2 3.49Å; I113-Y120 VanDerWaalsContact CG2-CE2 3.49Å; L116-Y120 HydrophobicContact CD1-CD2 4Å; K117-Y120 WeakPolarHBondContact O-CB 3.4Å; K117-Y120 PolarHBondContact O-N 3.17Å; K117-Y120 VanDerWaalsContact O-N 3.13Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 3.15Å; Y120-S122 PolarHBondContact O-N 2.84Å; Y120-W123 PolarHBondContact O-N 3.39Å; Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.44Å; Y120-I124 WeakPolarHBondContact O-CB 3.24Å; Y120-I124 VanDerWaalsContact O-CG2 3.3Å; Y120-I124 WeakPolarHBondContact O-CG2 3.31Å; Y120-I124 PolarHBondContact O-N 3.38Å; Y120-I124 WeakPolarHBondContact OH-CD1 3.46Å; Y120-P211 HydrophobicContact CD1-CG 3.9Å; Y120-P211 HydrophobicContact CE1-CG 3.55Å; Y120-M219 HydrophobicContact CD1-CG 4.3Å; Y120-M219 HydrophobicContact CD2-CE 4.02Å; Y120-M219 HydrophobicContact CG-CE 3.93Å; Y120-M219 HydrophobicContact CG-CG 4.45Å; Y120-M219 PolarHBondContact OH-O 2.84Å; Y120-H222 AromaticContact CE1-ND1 3.44Å; Y120-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y120-H222 AromaticContact CZ-ND1 3.51Å; Y120-H222 PolarHBondContact OH-ND1 2.7Å; Y120-F223 HydrophobicContact CE2-CB 4.26Å; Y120-F223 VanDerWaalsContact OH-CA 3.23Å; Y120-F223 WeakPolarHBondContact OH-CA 3.35Å; Y120-F223 WeakPolarHBondContact OH-CB 3.33Å; Y120-F223 PolarHBondContact OH-N 3.39Å
121W93.3Very high90.9Very high43 Ų4348.4 Ų48.416%0.16326%0.26CS..Hα-helixtrans-66-37.7-175.1-171.3-98.6000113R119 I124 H125 H208 H210 H222 Q313 H314R119-W121 PolarHBondContact O-N 2.86Å; W121-I124 WeakPolarHBondContact O-CG2 3.17Å; W121-H125 AromaticContact CD2-CE1 3.67Å; W121-H125 AromaticContact CD2-ND1 3.96Å; W121-H125 AromaticContact CE2-CE1 3.41Å; W121-H125 VanDerWaalsContact CE2-CE1 3.41Å; W121-H125 AromaticContact CE2-ND1 3.8Å; W121-H125 AromaticContact CE3-CE1 3.84Å; W121-H125 AromaticContact CH2-CE1 3.56Å; W121-H125 AromaticContact CZ2-CE1 3.35Å; W121-H125 WeakPolarHBondContact CZ2-CE1 3.44Å; W121-H125 AromaticContact CZ2-NE2 3.93Å; W121-H125 AromaticContact CZ3-CE1 3.8Å; W121-H125 PolarHBondContact O-ND1 3.4Å; W121-H208 HydrophobicContact CH2-CB 4.44Å; W121-H208 AromaticContact CH2-ND1 3.96Å; W121-H210 AromaticContact CD1-NE2 3.94Å; W121-H210 AromaticContact CD2-CD2 3.33Å; W121-H210 AromaticContact CD2-NE2 3.24Å; W121-H210 AromaticContact CE2-CD2 3.62Å; W121-H210 AromaticContact CE2-CE1 3.76Å; W121-H210 AromaticContact CE2-NE2 2.96Å; W121-H210 AromaticContact CE3-CD2 3.39Å; W121-H210 AromaticContact CE3-NE2 3.62Å; W121-H210 AromaticContact CG-CD2 3.88Å; W121-H210 AromaticContact CG-NE2 3.88Å; W121-H210 AromaticContact CH2-CD2 3.99Å; W121-H210 AromaticContact CH2-CE1 3.57Å; W121-H210 AromaticContact CH2-NE2 3.52Å; W121-H210 AromaticContact CZ2-CD2 3.96Å; W121-H210 AromaticContact CZ2-CE1 3.43Å; W121-H210 VanDerWaalsContact CZ2-CE1 3.43Å; W121-H210 WeakPolarHBondContact CZ2-CE1 3.46Å; W121-H210 AromaticContact CZ2-NE2 3.14Å; W121-H210 WeakPolarHBondContact CZ2-NE2 3.44Å; W121-H210 AromaticContact CZ3-CD2 3.71Å; W121-H210 AromaticContact CZ3-NE2 3.74Å; W121-H210 AromaticContact NE1-NE2 3.42Å; W121-H210 PolarHBondContact NE1-NE2 2.7Å; W121-H222 AromaticContact CZ3-CE1 3.91Å; W121-H222 AromaticContact CZ3-NE2 3.82Å; W121-Q313 VanDerWaalsContact CE2-NE2 3.34Å; W121-Q313 HydrophobicContact CZ2-CG 4.37Å; W121-H314 AromaticContact CZ2-CE1 3.87Å
122S92Very high90.8Very high58 Ų5842.4 Ų42.441%0.40623%0.232SC..Hα-helixtrans-70.2-45.3173.150.10000111.2R119 Y120 I124 H125 E126R119-S122 PolarHBondContact O-OG 3.46Å; Y120-S122 PolarHBondContact O-N 2.84Å; S122-I124 VanDerWaalsContact C-N 3.33Å; S122-I124 PolarHBondContact O-N 3.3Å; S122-H125 PolarHBondContact O-N 2.8Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 2.92Å
123W92.9Very high90.7Very high3 Ų345.3 Ų45.31%0.01124%0.242CC..Hα-helixtrans-62.3-38.1-175.6173.988.6000113.5V99 V103 V109 I113 L116 R119 Y120 E126 F223 K231V99-W123 HydrophobicContact CG1-CB 3.88Å; V99-W123 HydrophobicContact CG1-CG 4.05Å; V99-W123 VanDerWaalsContact O-CD1 3.29Å; V103-W123 HydrophobicContact CB-CZ2 3.9Å; V103-W123 HydrophobicContact CG1-CZ2 4.16Å; V103-W123 HydrophobicContact CG2-CD2 4.34Å; V103-W123 HydrophobicContact CG2-CH2 4.35Å; V103-W123 HydrophobicContact CG2-CZ2 3.6Å; V109-W123 HydrophobicContact CG1-CH2 3.78Å; V109-W123 HydrophobicContact CG1-CZ2 4.4Å; I113-W123 HydrophobicContact CD1-CE3 4.37Å; I113-W123 HydrophobicContact CD1-CH2 3.87Å; I113-W123 HydrophobicContact CD1-CZ3 3.55Å; L116-W123 HydrophobicContact CD1-CB 4.31Å; L116-W123 HydrophobicContact CD1-CD2 3.64Å; L116-W123 HydrophobicContact CD1-CE3 3.52Å; L116-W123 HydrophobicContact CD1-CG 3.98Å; L116-W123 HydrophobicContact CD1-CZ3 4.11Å; L116-W123 HydrophobicContact CD2-CB 4.48Å; L116-W123 HydrophobicContact CD2-CG 4.26Å; R119-W123 VanDerWaalsContact O-CB 3.23Å; R119-W123 WeakPolarHBondContact O-CB 3.48Å; R119-W123 PolarHBondContact O-N 2.93Å; Y120-W123 PolarHBondContact O-N 3.39Å; W123-E126 PolarHBondContact O-N 2.84Å; W123-F223 AromaticContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CZ 4.36Å; W123-F223 HydrophobicContact CZ3-CD2 4.1Å; W123-F223 AromaticContact CZ3-CE2 3.72Å; W123-F223 HydrophobicContact CZ3-CE2 3.72Å; W123-K231 HydrophobicContact CH2-CD 4.25Å; W123-K231 HydrophobicContact CH2-CG 4Å; W123-K231 HydrophobicContact CZ2-CD 4.24Å; W123-K231 HydrophobicContact CZ2-CG 4.37Å; W123-K231 HydrophobicContact CZ3-CD 4.45Å; W123-K231 HydrophobicContact CZ3-CG 4.32Å; W123-K231 PolarHBondContact O-NZ 3.14Å; W123-K231 VanDerWaalsContact O-NZ 3.15Å
124I93.6Very high90.7Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-74.8-27.7-175-162.3170.2000113.4Y120 W121 S122 E126 F223 G227 H230 K231Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.44Å; Y120-I124 WeakPolarHBondContact O-CB 3.24Å; Y120-I124 VanDerWaalsContact O-CG2 3.3Å; Y120-I124 WeakPolarHBondContact O-CG2 3.31Å; Y120-I124 PolarHBondContact O-N 3.38Å; Y120-I124 WeakPolarHBondContact OH-CD1 3.46Å; W121-I124 WeakPolarHBondContact O-CG2 3.17Å; S122-I124 VanDerWaalsContact C-N 3.33Å; S122-I124 PolarHBondContact O-N 3.3Å; I124-E126 VanDerWaalsContact C-N 3.3Å; I124-F223 HydrophobicContact CD1-CD2 3.89Å; I124-F223 HydrophobicContact CG1-CD2 4.31Å; I124-G227 WeakPolarHBondContact CG1-O 3.39Å; I124-H230 CarbonylContact O-C 3.55Å; I124-K231 HydrophobicContact CG1-CB 4.37Å; I124-K231 WeakPolarHBondContact O-CA 3.35Å; I124-K231 PolarHBondContact O-N 3.49Å
125H90.9Very high90.8Very high14 Ų1447.2 Ų47.27%0.06525%0.246CC..THydrogen-bonded Turntrans-97.723.2176.1-59.397.6000112.3W121 S122 P127 H208 H230 Q313W121-H125 AromaticContact CD2-CE1 3.67Å; W121-H125 AromaticContact CD2-ND1 3.96Å; W121-H125 AromaticContact CE2-CE1 3.41Å; W121-H125 VanDerWaalsContact CE2-CE1 3.41Å; W121-H125 AromaticContact CE2-ND1 3.8Å; W121-H125 AromaticContact CE3-CE1 3.84Å; W121-H125 AromaticContact CH2-CE1 3.56Å; W121-H125 AromaticContact CZ2-CE1 3.35Å; W121-H125 WeakPolarHBondContact CZ2-CE1 3.44Å; W121-H125 AromaticContact CZ2-NE2 3.93Å; W121-H125 AromaticContact CZ3-CE1 3.8Å; W121-H125 PolarHBondContact O-ND1 3.4Å; S122-H125 PolarHBondContact O-N 2.8Å; H125-P127 VanDerWaalsContact O-CD 3.31Å; H125-P127 WeakPolarHBondContact O-CD 3.34Å; H125-H208 AromaticContact NE2-CE1 3.79Å; H125-H208 AromaticContact NE2-ND1 3.88Å; H125-H230 AromaticContact CD2-CG 3.74Å; H125-H230 AromaticContact CD2-ND1 3.44Å; H125-H230 PolarHBondContact CD2-ND1 3.42Å; H125-H230 AromaticContact NE2-ND1 3.99Å; H125-Q313 PolarHBondContact CD2-NE2 3.27Å; H125-Q313 VanDerWaalsContact CD2-NE2 3.29Å; H125-Q313 PolarHBondContact CD2-OE1 3.49Å; H125-Q313 VanDerWaalsContact CD2-OE1 3.22Å; H125-Q313 PolarHBondContact CE1-NE2 3.43Å; H125-Q313 PolarHBondContact ND1-NE2 3.43Å; H125-Q313 PolarHBondContact NE2-NE2 3.16Å
126E88.6Confident90.7Very high29 Ų2948.2 Ų48.214%0.13624%0.238CC..SBendtrans-107.188.3164.3-73.9-169.7-161.100108.2R76 S97 V99 S122 W123 I124 K231R76-E126 IonicContact CZ-OE2 2.72Å; R76-E126 IonicContact NE-OE2 3.46Å; S97-E126 PolarHBondContact OG-OE2 2.84Å; V99-E126 VanDerWaalsContact CB-OE2 3.24Å; V99-E126 WeakPolarHBondContact CB-OE2 3.28Å; V99-E126 HydrophobicContact CG1-CG 4.49Å; V99-E126 WeakPolarHBondContact CG1-OE2 3.25Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 2.92Å; W123-E126 PolarHBondContact O-N 2.84Å; I124-E126 VanDerWaalsContact C-N 3.3Å; E126-K231 WeakPolarHBondContact O-CD 3.17Å; E126-K231 PolarHBondContact O-NZ 3.46Å
127P88.6Confident90.7Very high4 Ų450.9 Ų50.93%0.02626%0.256CS..  trans-63.4146.3-172.2-24.535.4000112.7H125 K231 P233 F310H125-P127 VanDerWaalsContact O-CD 3.31Å; H125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-K231 CarbonylContact C-O 3.37Å; P127-K231 WeakPolarHBondContact CA-O 3.33Å; P127-P233 HydrophobicContact CB-CG 3.96Å; P127-F310 HydrophobicContact CB-CD1 4.21Å; P127-F310 HydrophobicContact CB-CE1 3.64Å; P127-F310 HydrophobicContact CG-CD1 3.81Å; P127-F310 HydrophobicContact CG-CE1 3.69Å
128V86Confident90.6Very high27 Ų2749.3 Ų49.316%0.16426%0.261CS..  trans-125.7154.3169.8-58.10000109.4K231 T232V128-K231 WeakPolarHBondContact CG2-O 3.39Å; V128-K231 PolarHBondContact N-O 3.47Å; V128-T232 HydrophobicContact CG2-CG2 3.89Å
129C79.1Confident90.6Very high36 Ų3645.6 Ų45.624%0.24325%0.251CS..SBendtrans-86.8-12.5-179.5-64.80000113.4
130D78.5Confident90.5Very high122 Ų12248 Ų4865%0.65226%0.26SS*.SBendtrans-82147.9-177.9-63-44.2000112.5T232D130-T232 WeakPolarHBondContact O-CG2 3.4Å
131S86Confident90.5Very high59 Ų5948.7 Ų48.741%0.41326%0.264SS..PPolyproline II helixtrans-75.4128.3167.8150.70000109.8R145 D235 R238S131-R145 PolarHBondContact OG-NH2 3.18Å; S131-D235 VanDerWaalsContact CB-OD2 3.23Å; S131-D235 WeakPolarHBondContact CB-OD2 3.49Å; S131-D235 PolarHBondContact OG-OD2 3.22Å; S131-R238 PolarHBondContact OG-NH1 2.93Å; S131-R238 VanDerWaalsContact OG-NH1 3.08Å
132L91.7Very high90.4Very high6 Ų650.6 Ų50.63%0.03128%0.284CS..PPolyproline II helixtrans-86.6147.4175.9-63.5172.9000112T105 V109 F223 K231 T232 R238T105-L132 HydrophobicContact CG2-CD2 3.7Å; V109-L132 HydrophobicContact CG2-CB 4.07Å; V109-L132 HydrophobicContact CG2-CD1 4.28Å; V109-L132 HydrophobicContact CG2-CD2 4.23Å; V109-L132 HydrophobicContact CG2-CG 4.42Å; L132-F223 HydrophobicContact CD1-CZ 4.41Å; L132-K231 HydrophobicContact CD1-CG 3.79Å; L132-T232 HydrophobicContact CB-CG2 4.49Å; L132-T232 HydrophobicContact CD1-CG2 3.72Å; L132-T232 HydrophobicContact CG-CG2 3.69Å; L132-R238 PolarHBondContact O-NH1 3.23Å; L132-R238 PolarHBondContact O-NH2 3.47Å
133R92.8Very high90.4Very high100 Ų10053.7 Ų53.738%0.37730%0.295SS..PPolyproline II helixtrans-79.5127.4166.3-171.3177-175119.9-2.1109.1P108 V109 F135 H136 E141P108-R133 WeakPolarHBondContact CA-O 3.19Å; P108-R133 HydrophobicContact CG-CG 4.32Å; V109-R133 PolarHBondContact N-O 3.01Å; R133-F135 PolarHBondContact NE-O 2.81Å; R133-H136 PolarHBondContact NH2-O 2.87Å; R133-E141 WeakPolarHBondContact CA-OE1 3.36Å
134L93.9Very high90.3Very high4 Ų454.5 Ų54.52%0.02130%0.301CS..  trans-95.9-41.6-176.1-56.6-174.5000112.4P108 V110 E141 F223 L228P108-L134 WeakPolarHBondContact CB-O 3.46Å; V110-L134 WeakPolarHBondContact CB-O 3.28Å; V110-L134 HydrophobicContact CG2-CB 3.98Å; V110-L134 WeakPolarHBondContact CG2-O 3.45Å; L134-E141 PolarHBondContact N-OE1 2.81Å; L134-E141 PolarHBondContact N-OE2 2.8Å; L134-F223 HydrophobicContact CD2-CE1 3.82Å; L134-F223 HydrophobicContact CD2-CZ 4.26Å; L134-L228 HydrophobicContact CD1-CD2 3.54Å; L134-L228 HydrophobicContact CD2-CD1 3.81Å; L134-L228 HydrophobicContact CD2-CD2 3.94Å; L134-L228 HydrophobicContact CG-CD2 4.34Å
135F94.7Very high90.4Very high52 Ų5258.5 Ų58.523%0.22832%0.316CS..  trans-128153.7-172.8-55.9-74.1000112.3P108 V110 R133 W140 E141 I224P108-F135 VanDerWaalsContact CG-C 3.49Å; V110-F135 HydrophobicContact CB-CE1 4.39Å; V110-F135 HydrophobicContact CG1-CE1 4.27Å; V110-F135 HydrophobicContact CG2-CE1 4.1Å; V110-F135 HydrophobicContact CG2-CZ 4.3Å; R133-F135 PolarHBondContact NE-O 2.81Å; F135-W140 HydrophobicContact CB-CB 3.78Å; F135-W140 HydrophobicContact CD1-CB 4.37Å; F135-W140 HydrophobicContact CD2-CB 3.73Å; F135-W140 HydrophobicContact CE2-CB 4.42Å; F135-W140 HydrophobicContact CG-CB 3.7Å; F135-E141 PolarHBondContact N-OE2 3.1Å; F135-I224 HydrophobicContact CZ-CD1 4.13Å
136H92.2Very high90.6Very high93 Ų9358.5 Ų58.543%0.43132%0.317SS..SBendtrans-66.1-44.3171.1-71.6-80000111.1P108 E111 R133 S138P108-H136 HydrophobicContact CG-CB 4.32Å; E111-H136 VanDerWaalsContact CD-CD2 3.47Å; E111-H136 VanDerWaalsContact CD-NE2 3.32Å; E111-H136 IonicContact OE1-CD2 3.05Å; E111-H136 PolarHBondContact OE1-CD2 3.49Å; E111-H136 IonicContact OE1-NE2 3.37Å; E111-H136 PolarHBondContact OE1-NE2 2.9Å; E111-H136 IonicContact OE2-CD2 3.38Å; E111-H136 PolarHBondContact OE2-CD2 3.18Å; E111-H136 IonicContact OE2-CE1 3.93Å; E111-H136 IonicContact OE2-NE2 2.74Å; E111-H136 PolarHBondContact OE2-NE2 3.15Å; R133-H136 PolarHBondContact NH2-O 2.87Å; H136-S138 PolarHBondContact O-N 3.42Å
137S94Very high91Very high57 Ų5761.5 Ų61.540%0.39933%0.33SS..SBendtrans-68.9123.6-179.5175.20000111.4G139 W140 E141S137-G139 PolarHBondContact O-N 2.82Å; S137-G139 PolarHBondContact OG-N 2.97Å; S137-W140 PolarHBondContact O-N 3.32Å; S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 PolarHBondContact O-N 2.95Å
138S92.8Very high91.4Very high91 Ų9166.8 Ų66.864%0.63635%0.349SS*.Hα-helixtrans-58.1-27.9171.9-530000112.6H136 S142H136-S138 PolarHBondContact O-N 3.42Å; S138-S142 WeakPolarHBondContact O-CB 3.35Å; S138-S142 PolarHBondContact O-N 3.26Å
139G93.3Very high91.9Very high41 Ų4171.4 Ų71.442%0.42336%0.364SS..Hα-helixtrans-68.4-50.6176.500000112.5S137 E141 S142 L143S137-G139 PolarHBondContact O-N 2.82Å; S137-G139 PolarHBondContact OG-N 2.97Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.04Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.03Å; G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 2.8Å
140W91.5Very high92.8Very high164 Ų16470.9 Ų70.962%0.62136%0.363SS*.Hα-helixtrans-65.3-35.8175.7-70.2121.9000112F135 S137 L143 S144F135-W140 HydrophobicContact CB-CB 3.78Å; F135-W140 HydrophobicContact CD1-CB 4.37Å; F135-W140 HydrophobicContact CD2-CB 3.73Å; F135-W140 HydrophobicContact CE2-CB 4.42Å; F135-W140 HydrophobicContact CG-CB 3.7Å; S137-W140 PolarHBondContact O-N 3.32Å; W140-L143 HydrophobicContact CE3-CD1 3.87Å; W140-L143 HydrophobicContact CZ3-CD1 3.99Å; W140-L143 PolarHBondContact O-N 2.9Å; W140-S144 PolarHBondContact O-N 3.23Å
141E93.1Very high93.8Very high20 Ų2065 Ų659%0.09333%0.332CS..Hα-helixtrans-61.5-43.9173.3-16970.1-172.300111.4R133 L134 F135 S137 G139 S144 R145 R238R133-E141 WeakPolarHBondContact CA-OE1 3.36Å; L134-E141 PolarHBondContact N-OE1 2.81Å; L134-E141 PolarHBondContact N-OE2 2.8Å; F135-E141 PolarHBondContact N-OE2 3.1Å; S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 PolarHBondContact O-N 2.95Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.04Å; E141-S144 WeakPolarHBondContact O-CB 3.26Å; E141-S144 PolarHBondContact O-N 3.23Å; E141-S144 PolarHBondContact O-OG 2.96Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R238 VanDerWaalsContact CD-NH2 3.29Å; E141-R238 IonicContact OE1-CZ 3.78Å; E141-R238 IonicContact OE1-NH2 3.85Å; E141-R238 PolarHBondContact OE1-NH2 2.93Å; E141-R238 IonicContact OE2-NH2 3.62Å
142S92.2Very high94.4Very high83 Ų8363.7 Ų63.758%0.5832%0.322SS*.Hα-helixtrans-62.4-44.9175.6-172.40000112S138 G139 S144 R145S138-S142 WeakPolarHBondContact O-CB 3.35Å; S138-S142 PolarHBondContact O-N 3.26Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.03Å; S142-S144 PolarHBondContact O-N 2.63Å; S142-R145 PolarHBondContact O-N 2.78Å
143L91.1Very high94.7Very high122 Ų12267.2 Ų67.264%0.63935%0.347SS*.Hα-helixtrans-65.2-22.3177-69.6173.9000113.6G139 W140 R145G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 2.8Å; W140-L143 HydrophobicContact CE3-CD1 3.87Å; W140-L143 HydrophobicContact CZ3-CD1 3.99Å; W140-L143 PolarHBondContact O-N 2.9Å; L143-R145 PolarHBondContact O-N 3.38Å
144S92.3Very high94.9Very high20 Ų2065.5 Ų65.514%0.1435%0.347CS..THydrogen-bonded Turntrans-75.5-11.6174.579.90000114W140 E141 S142 R238W140-S144 PolarHBondContact O-N 3.23Å; E141-S144 WeakPolarHBondContact O-CB 3.26Å; E141-S144 PolarHBondContact O-N 3.23Å; E141-S144 PolarHBondContact O-OG 2.96Å; S142-S144 PolarHBondContact O-N 2.63Å; S144-R238 WeakPolarHBondContact O-CG 3.17Å; S144-R238 PolarHBondContact OG-NE 3.46Å; S144-R238 PolarHBondContact OG-NH2 2.89Å; S144-R238 VanDerWaalsContact OG-NH2 3.07Å
145R94.2Very high95.1Very high85 Ų8565.8 Ų65.832%0.32135%0.348SS..  trans-102.3111.9-176.4-69.8-176.3179.4-78.3-7.2110.1S131 E141 S142 L143 D235 D237 R238S131-R145 PolarHBondContact OG-NH2 3.18Å; E141-R145 IonicContact OE1-NH2 3.85Å; S142-R145 PolarHBondContact O-N 2.78Å; L143-R145 PolarHBondContact O-N 3.38Å; R145-D235 IonicContact NH1-OD1 3.78Å; R145-D237 CarbonylContact C-O 3.52Å; R145-D237 WeakPolarHBondContact CA-O 3.45Å; R145-D237 HydrophobicContact CB-CB 3.84Å; R145-D237 HydrophobicContact CG-CB 3.91Å; R145-D237 IonicContact NH1-OD2 3.94Å; R145-R238 VanDerWaalsContact NH2-NH1 3.15Å
146T96.1Very high95.3Very high14 Ų1465.8 Ų65.89%0.08635%0.349CS..  trans-115.6118.4178-56.50000110.1A150 D237 V240T146-A150 HydrophobicContact CG2-CB 3.84Å; T146-D237 PolarHBondContact N-O 3.16Å; T146-D237 CarbonylContact O-C 3.41Å; T146-V240 HydrophobicContact CG2-CG2 3.64Å; T146-V240 WeakPolarHBondContact O-CG2 3.48Å
147K96.4Very high95.6Very high91 Ų9164.5 Ų64.540%0.39635%0.349SS..  trans-70.8145.4173.9-59.1-61.8-179.9-172.20110.3Y149 A150 D237K147-Y149 VanDerWaalsContact C-N 3.26Å; K147-Y149 HydrophobicContact CB-CD1 3.94Å; K147-Y149 HydrophobicContact CB-CD2 4.49Å; K147-Y149 HydrophobicContact CB-CE1 3.5Å; K147-Y149 VanDerWaalsContact CB-CE1 3.5Å; K147-Y149 HydrophobicContact CB-CE2 4.09Å; K147-Y149 HydrophobicContact CB-CG 4.41Å; K147-Y149 HydrophobicContact CG-CE1 3.94Å; K147-Y149 PolarHBondContact O-N 3.22Å; K147-Y149 VanDerWaalsContact O-N 3.17Å; K147-A150 WeakPolarHBondContact O-CB 3.38Å; K147-A150 PolarHBondContact O-N 3.29Å; K147-D237 VanDerWaalsContact CD-OD1 3.28Å; K147-D237 WeakPolarHBondContact CD-OD1 3.46Å; K147-D237 WeakPolarHBondContact CE-OD1 3.19Å; K147-D237 IonicContact NZ-OD1 2.65Å; K147-D237 PolarHBondContact NZ-OD1 3.23Å; K147-D237 IonicContact NZ-OD2 3.97Å; K147-D237 PolarHBondContact NZ-OD2 3.24Å
148W97.4Very high95.8Very high116 Ų11664.8 Ų64.844%0.43935%0.345SS..THydrogen-bonded Turntrans-52.7-41.7-178.270.3-93.6000113.4A150 V151 P152 V240 M282 Y285W148-A150 PolarHBondContact O-N 3.19Å; W148-V151 PolarHBondContact O-N 2.94Å; W148-P152 WeakPolarHBondContact O-CD 3.39Å; W148-V240 HydrophobicContact CB-CG1 4.48Å; W148-M282 HydrophobicContact CE3-SD 3.82Å; W148-M282 HydrophobicContact CZ3-SD 4.3Å; W148-M282 WeakPolarHBondContact O-CE 3.24Å; W148-Y285 HydrophobicContact CB-CD1 3.64Å; W148-Y285 HydrophobicContact CB-CD2 3.73Å; W148-Y285 HydrophobicContact CB-CE1 3.58Å; W148-Y285 HydrophobicContact CB-CE2 3.68Å; W148-Y285 HydrophobicContact CB-CG 3.71Å; W148-Y285 AromaticContact CD1-CE1 3.67Å; W148-Y285 AromaticContact CD1-CZ 3.7Å; W148-Y285 HydrophobicContact CD2-CE1 4.47Å; W148-Y285 HydrophobicContact CG-CD1 4.01Å; W148-Y285 AromaticContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE2 4.44Å; W148-Y285 AromaticContact CG-CZ 3.87Å
149Y97.4Very high96.1Very high123 Ų12360.7 Ų60.748%0.48232%0.316SS..THydrogen-bonded Turntrans-68.4-16-177.658.5-103.8000113.2K147 V151 P152 S153K147-Y149 VanDerWaalsContact C-N 3.26Å; K147-Y149 HydrophobicContact CB-CD1 3.94Å; K147-Y149 HydrophobicContact CB-CD2 4.49Å; K147-Y149 HydrophobicContact CB-CE1 3.5Å; K147-Y149 VanDerWaalsContact CB-CE1 3.5Å; K147-Y149 HydrophobicContact CB-CE2 4.09Å; K147-Y149 HydrophobicContact CB-CG 4.41Å; K147-Y149 HydrophobicContact CG-CE1 3.94Å; K147-Y149 PolarHBondContact O-N 3.22Å; K147-Y149 VanDerWaalsContact O-N 3.17Å; Y149-V151 PolarHBondContact O-N 2.84Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 WeakPolarHBondContact O-CG 3.41Å; Y149-S153 VanDerWaalsContact O-CB 3.25Å; Y149-S153 WeakPolarHBondContact O-CB 3.5Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 3.17Å
150A97.7Very high96.4Very high25 Ų2563.6 Ų63.621%0.20732%0.322CS..Hα-helixtrans-60.4-35.517800000111.9T146 K147 W148 V154 P243T146-A150 HydrophobicContact CG2-CB 3.84Å; K147-A150 WeakPolarHBondContact O-CB 3.38Å; K147-A150 PolarHBondContact O-N 3.29Å; W148-A150 PolarHBondContact O-N 3.19Å; A150-V154 WeakPolarHBondContact O-CB 3.42Å; A150-V154 VanDerWaalsContact O-CG2 3.29Å; A150-V154 WeakPolarHBondContact O-CG2 3.44Å; A150-V154 PolarHBondContact O-N 3.44Å; A150-P243 HydrophobicContact CB-CG 4.32Å
151V98.3Very high96.7Very high0 Ų061.9 Ų61.90%032%0.324CS..Hα-helixtrans-62.6-62178.9179.10000111.1W148 Y149 S153 V154 W155 V240 Y277 V278 D281 M282W148-V151 PolarHBondContact O-N 2.94Å; Y149-V151 PolarHBondContact O-N 2.84Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.5Å; V151-V154 PolarHBondContact O-N 3.4Å; V151-W155 WeakPolarHBondContact O-CB 3.49Å; V151-W155 PolarHBondContact O-N 3.25Å; V151-V240 HydrophobicContact CG2-CB 3.8Å; V151-V240 HydrophobicContact CG2-CG1 4.3Å; V151-V240 HydrophobicContact CG2-CG2 4.13Å; V151-Y277 HydrophobicContact CG1-CE1 4.03Å; V151-V278 HydrophobicContact CG1-CG2 4.34Å; V151-D281 HydrophobicContact CG1-CB 4.09Å; V151-D281 WeakPolarHBondContact CG2-OD2 3.18Å; V151-M282 HydrophobicContact CB-CE 3.79Å; V151-M282 HydrophobicContact CG1-CE 4.17Å; V151-M282 HydrophobicContact CG2-CE 4.22Å
152P98.4Very high97Very high31 Ų3162.3 Ų62.320%0.20133%0.327CS..Hα-helixtrans-63.7-35.4179.124.8-34.4000112.4W148 Y149 V154 M156 V278 M282W148-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 WeakPolarHBondContact O-CG 3.41Å; P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 PolarHBondContact O-N 3.34Å; P152-M156 HydrophobicContact CB-CG 3.98Å; P152-M156 WeakPolarHBondContact O-CB 3.19Å; P152-M156 WeakPolarHBondContact O-CG 3.39Å; P152-M156 PolarHBondContact O-N 3.4Å; P152-V278 HydrophobicContact CB-CG1 4.16Å; P152-M282 HydrophobicContact CG-SD 3.93Å
153S98.2Very high97.3Very high80 Ų8059.8 Ų59.856%0.55931%0.308SS*.Hα-helixtrans-62.7-36.2179.1-67.40000113.5Y149 V151 P157Y149-S153 VanDerWaalsContact O-CB 3.25Å; Y149-S153 WeakPolarHBondContact O-CB 3.5Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 3.17Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.5Å; S153-P157 WeakPolarHBondContact O-CD 3.3Å; S153-P157 WeakPolarHBondContact O-CG 3.24Å
154V98Very high97.6Very high63 Ų6357.8 Ų57.838%0.38230%0.301SS..Hα-helixtrans-82.1-47.1177.5172.90000111A150 V151 P152 P243A150-V154 WeakPolarHBondContact O-CB 3.42Å; A150-V154 VanDerWaalsContact O-CG2 3.29Å; A150-V154 WeakPolarHBondContact O-CG2 3.44Å; A150-V154 PolarHBondContact O-N 3.44Å; V151-V154 PolarHBondContact O-N 3.4Å; P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 PolarHBondContact O-N 3.34Å; V154-P243 HydrophobicContact CB-CB 4.24Å; V154-P243 HydrophobicContact CB-CG 4.46Å; V154-P243 HydrophobicContact CG1-CB 4.11Å; V154-P243 HydrophobicContact CG2-CB 4.1Å; V154-P243 HydrophobicContact CG2-CG 4.2Å
155W98.6Very high97.9Very high10 Ų1057.9 Ų57.94%0.03831%0.305CS..Hα-helixtrans-89.5-31.3-166-59.7117.2000113.9V151 I158 V159 P243 A246 V250 L274 Y277 V278V151-W155 WeakPolarHBondContact O-CB 3.49Å; V151-W155 PolarHBondContact O-N 3.25Å; W155-I158 HydrophobicContact CE3-CD1 3.66Å; W155-I158 HydrophobicContact CZ3-CD1 3.75Å; W155-I158 WeakPolarHBondContact O-CB 3.39Å; W155-I158 PolarHBondContact O-N 2.97Å; W155-I158 VanDerWaalsContact O-N 3.1Å; W155-V159 WeakPolarHBondContact O-CG2 3.36Å; W155-V159 PolarHBondContact O-N 2.95Å; W155-P243 HydrophobicContact CZ2-CB 4.02Å; W155-P243 WeakPolarHBondContact CZ2-O 3.31Å; W155-A246 HydrophobicContact CZ2-CB 3.85Å; W155-V250 HydrophobicContact CH2-CB 4.27Å; W155-V250 HydrophobicContact CH2-CG1 4.48Å; W155-V250 HydrophobicContact CH2-CG2 4.07Å; W155-V250 HydrophobicContact CZ2-CG2 4.44Å; W155-V250 HydrophobicContact CZ3-CB 4.28Å; W155-V250 HydrophobicContact CZ3-CG1 4Å; W155-V250 HydrophobicContact CZ3-CG2 4.2Å; W155-L274 HydrophobicContact CB-CD1 4.33Å; W155-L274 HydrophobicContact CB-CD2 4.45Å; W155-L274 HydrophobicContact CB-CG 4.38Å; W155-L274 HydrophobicContact CD2-CD1 4.06Å; W155-L274 HydrophobicContact CE3-CD1 3.88Å; W155-L274 HydrophobicContact CE3-CD2 3.98Å; W155-L274 HydrophobicContact CE3-CG 4.49Å; W155-L274 HydrophobicContact CG-CD1 4.26Å; W155-Y277 AromaticContact CD1-CE1 3.53Å; W155-Y277 HydrophobicContact CD2-CE1 4.49Å; W155-Y277 HydrophobicContact CG-CE1 4.15Å; W155-Y277 AromaticContact NE1-CE1 3.52Å; W155-V278 HydrophobicContact CB-CG2 3.52Å; W155-V278 HydrophobicContact CG-CG2 4.34Å
156M98.5Very high98Very high53 Ų5353.9 Ų53.926%0.26129%0.29SS..Hα-helixtrans-63.6-40.1179.6-69-59.7-59.500113.5P152 I158 V159 L160 F275 V278P152-M156 HydrophobicContact CB-CG 3.98Å; P152-M156 WeakPolarHBondContact O-CB 3.19Å; P152-M156 WeakPolarHBondContact O-CG 3.39Å; P152-M156 PolarHBondContact O-N 3.4Å; M156-I158 VanDerWaalsContact C-N 3.27Å; M156-I158 PolarHBondContact O-N 2.93Å; M156-V159 PolarHBondContact O-N 3.16Å; M156-L160 WeakPolarHBondContact O-CB 3.46Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.38Å; M156-L160 PolarHBondContact O-N 3.15Å; M156-F275 HydrophobicContact CE-CD2 4.08Å; M156-F275 HydrophobicContact CE-CE2 4.11Å; M156-F275 HydrophobicContact SD-CD2 3.99Å; M156-F275 HydrophobicContact SD-CE2 4.3Å; M156-V278 HydrophobicContact CG-CG1 4.3Å; M156-V278 HydrophobicContact SD-CB 4.38Å; M156-V278 HydrophobicContact SD-CG1 3.99Å; M156-V278 HydrophobicContact SD-CG2 4.38Å
157P98.6Very high98.1Very high66 Ų6657.1 Ų57.143%0.42930%0.3SS..Hα-helixtrans-56.7-40.5170.8-27.436.4000112.8S153 L160 L161S153-P157 WeakPolarHBondContact O-CD 3.3Å; S153-P157 WeakPolarHBondContact O-CG 3.24Å; P157-L160 PolarHBondContact O-N 3.03Å; P157-L161 VanDerWaalsContact O-CG 3.28Å; P157-L161 WeakPolarHBondContact O-CG 3.32Å; P157-L161 PolarHBondContact O-N 3.49Å
158I98.4Very high98.2Very high62 Ų6256.6 Ų56.632%0.31830%0.302SS..Hα-helixtrans-68.3-45.3177.6-62.5168.8000110.5W155 M156 L160 L161 L162 L274W155-I158 HydrophobicContact CE3-CD1 3.66Å; W155-I158 HydrophobicContact CZ3-CD1 3.75Å; W155-I158 WeakPolarHBondContact O-CB 3.39Å; W155-I158 PolarHBondContact O-N 2.97Å; W155-I158 VanDerWaalsContact O-N 3.1Å; M156-I158 VanDerWaalsContact C-N 3.27Å; M156-I158 PolarHBondContact O-N 2.93Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 3.46Å; I158-L161 PolarHBondContact O-N 3.28Å; I158-L162 HydrophobicContact CG2-CD1 3.87Å; I158-L162 HydrophobicContact CG2-CG 4.16Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.31Å; I158-L162 PolarHBondContact O-N 3.44Å; I158-L274 HydrophobicContact CB-CD2 4.13Å; I158-L274 HydrophobicContact CG2-CD2 3.75Å
159V98.7Very high98.1Very high5 Ų553.6 Ų53.63%0.0330%0.295CS..Hα-helixtrans-54.7-45173.9169.40000110.7W155 M156 T163 L274 F275W155-V159 WeakPolarHBondContact O-CG2 3.36Å; W155-V159 PolarHBondContact O-N 2.95Å; M156-V159 PolarHBondContact O-N 3.16Å; V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 PolarHBondContact O-N 2.79Å; V159-T163 PolarHBondContact O-OG1 3.34Å; V159-L274 HydrophobicContact CG2-CB 3.96Å; V159-L274 HydrophobicContact CG2-CD2 3.76Å; V159-L274 HydrophobicContact CG2-CG 3.7Å; V159-F275 HydrophobicContact CG1-CB 3.97Å; V159-F275 HydrophobicContact CG1-CD2 4.3Å; V159-F275 HydrophobicContact CG2-CB 4.27Å
160L98.6Very high98.1Very high102 Ų10247.9 Ų47.953%0.53427%0.272SS..Hα-helixtrans-64.8-46.3178.1-71.7172.3000111.9M156 P157 I158 T163 V164M156-L160 WeakPolarHBondContact O-CB 3.46Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.38Å; M156-L160 PolarHBondContact O-N 3.15Å; P157-L160 PolarHBondContact O-N 3.03Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 3.46Å; L160-T163 PolarHBondContact O-N 3.4Å; L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.05Å; L160-V164 PolarHBondContact O-N 3.1Å
161L98.4Very high98Very high129 Ų12950.5 Ų50.568%0.67528%0.277SS*.Hα-helixtrans-61-46.8178-73171.8000112P157 I158 T163 G165P157-L161 VanDerWaalsContact O-CG 3.28Å; P157-L161 WeakPolarHBondContact O-CG 3.32Å; P157-L161 PolarHBondContact O-N 3.49Å; I158-L161 PolarHBondContact O-N 3.28Å; L161-T163 VanDerWaalsContact C-N 3.34Å; L161-G165 PolarHBondContact O-N 2.8Å
162L98.5Very high97.8Very high29 Ų2956.8 Ų56.815%0.15231%0.31CS..Hα-helixtrans-64.4-40177.2-66.5177.5000111.5I158 G166 F254 L267I158-L162 HydrophobicContact CG2-CD1 3.87Å; I158-L162 HydrophobicContact CG2-CG 4.16Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.31Å; I158-L162 PolarHBondContact O-N 3.44Å; L162-G166 PolarHBondContact O-N 3.23Å; L162-F254 HydrophobicContact CD2-CE2 3.97Å; L162-L267 HydrophobicContact CD2-CD2 3.65Å
163T98.6Very high97.6Very high29 Ų2959.7 Ų59.718%0.17832%0.322CS..Hα-helixtrans-64.4-49.1177.9-66.60000111.9V159 L160 L161 G166 W167 F184 S271V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 PolarHBondContact O-N 2.79Å; V159-T163 PolarHBondContact O-OG1 3.34Å; L160-T163 PolarHBondContact O-N 3.4Å; L161-T163 VanDerWaalsContact C-N 3.34Å; T163-G166 PolarHBondContact O-N 3.29Å; T163-W167 WeakPolarHBondContact O-CB 3.45Å; T163-W167 PolarHBondContact O-N 3.15Å; T163-F184 HydrophobicContact CG2-CE2 3.99Å; T163-F184 HydrophobicContact CG2-CZ 3.61Å; T163-S271 WeakPolarHBondContact OG1-CB 3.47Å; T163-S271 PolarHBondContact OG1-OG 3.22Å
164V98.2Very high97.4Very high81 Ų8159.2 Ų59.249%0.49133%0.329SS..Hα-helixtrans-67.3-42.9179.6172.40000110.9L160 W167 N168L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.05Å; L160-V164 PolarHBondContact O-N 3.1Å; V164-W167 PolarHBondContact O-N 3.01Å; V164-N168 WeakPolarHBondContact O-CB 3.29Å; V164-N168 VanDerWaalsContact O-CG 3.25Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-N168 PolarHBondContact O-ND2 3.11Å
165G98.1Very high97.1Very high22 Ų2258.4 Ų58.423%0.22732%0.323CS..Hα-helixtrans-60-49.4175.200000111.8L161 W167 N168 D169L161-G165 PolarHBondContact O-N 2.8Å; G165-W167 PolarHBondContact O-N 3.45Å; G165-N168 PolarHBondContact O-N 3.39Å; G165-D169 PolarHBondContact O-N 3.39Å
166G98.1Very high96.9Very high0 Ų060 Ų600%034%0.342CS..Hα-helixtrans-61.1-41.1177.500000113.2L162 T163 L170L162-G166 PolarHBondContact O-N 3.23Å; T163-G166 PolarHBondContact O-N 3.29Å; G166-L170 WeakPolarHBondContact O-CB 3.09Å; G166-L170 PolarHBondContact O-N 3.29Å
167W97.5Very high96.7Very high82 Ų8261.5 Ų61.531%0.31135%0.354SS..Hα-helixtrans-61.1-48.7173.7174.6-94.7000112.1T163 V164 G165 L170 R171 T180 T181 F184T163-W167 WeakPolarHBondContact O-CB 3.45Å; T163-W167 PolarHBondContact O-N 3.15Å; V164-W167 PolarHBondContact O-N 3.01Å; G165-W167 PolarHBondContact O-N 3.45Å; W167-L170 PolarHBondContact O-N 3.48Å; W167-R171 HydrophobicContact CD2-CG 4.29Å; W167-R171 HydrophobicContact CG-CG 4.5Å; W167-R171 HydrophobicContact CZ2-CG 4.12Å; W167-R171 WeakPolarHBondContact O-CB 3.25Å; W167-R171 VanDerWaalsContact O-CG 3.29Å; W167-R171 WeakPolarHBondContact O-CG 3.36Å; W167-R171 PolarHBondContact O-N 2.97Å; W167-T180 HydrophobicContact CE3-CG2 4.27Å; W167-T180 HydrophobicContact CH2-CG2 4.28Å; W167-T180 HydrophobicContact CZ3-CG2 4.05Å; W167-T181 WeakPolarHBondContact CH2-OG1 3.22Å; W167-F184 HydrophobicContact CB-CD2 4.42Å; W167-F184 HydrophobicContact CB-CE2 4.39Å; W167-F184 HydrophobicContact CE3-CB 4.18Å; W167-F184 AromaticContact CE3-CD2 3.93Å; W167-F184 HydrophobicContact CE3-CD2 3.93Å; W167-F184 AromaticContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CZ3-CB 4.24Å; W167-F184 HydrophobicContact CZ3-CG 4.33Å
168N97.3Very high96.6Very high81 Ų8166.5 Ų66.543%0.43337%0.369SS..Hα-helixtrans-63.5-45-178.5-71.6-22.5000111.7V164 G165 R171 N172V164-N168 WeakPolarHBondContact O-CB 3.29Å; V164-N168 VanDerWaalsContact O-CG 3.25Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-N168 PolarHBondContact O-ND2 3.11Å; G165-N168 PolarHBondContact O-N 3.39Å; N168-R171 PolarHBondContact O-N 3.05Å; N168-N172 PolarHBondContact O-N 3.21Å; N168-N172 PolarHBondContact O-ND2 3.08Å
169D96.9Very high96.5Very high53 Ų5366 Ų6628%0.28337%0.37SS..Hα-helixtrans-62.8-43.9176.9-74.5-26.9000111.3G165 R171 N172 E173 W263G165-D169 PolarHBondContact O-N 3.39Å; D169-R171 VanDerWaalsContact C-N 3.32Å; D169-R171 PolarHBondContact O-N 3.33Å; D169-N172 WeakPolarHBondContact O-CB 3.3Å; D169-N172 PolarHBondContact O-N 3.49Å; D169-N172 VanDerWaalsContact O-N 3.12Å; D169-E173 PolarHBondContact O-N 2.82Å; D169-W263 PolarHBondContact OD2-NE1 3.21Å
170L95.7Very high96.4Very high2 Ų265.8 Ų65.81%0.0137%0.368CS..Hα-helixtrans-65.7-31.5178.1-16664.5000113.1G166 W167 E173 T180 W183 F184 I268G166-L170 WeakPolarHBondContact O-CB 3.09Å; G166-L170 PolarHBondContact O-N 3.29Å; W167-L170 PolarHBondContact O-N 3.48Å; L170-E173 WeakPolarHBondContact CD1-OE2 3.27Å; L170-T180 HydrophobicContact CB-CG2 4.13Å; L170-T180 HydrophobicContact CD2-CG2 3.85Å; L170-T180 HydrophobicContact CG-CG2 3.81Å; L170-W183 HydrophobicContact CD1-CE3 4.09Å; L170-W183 HydrophobicContact CD2-CB 4.1Å; L170-F184 HydrophobicContact CD2-CB 4.07Å; L170-I268 HydrophobicContact CB-CD1 4.23Å; L170-I268 HydrophobicContact CD2-CD1 3.63Å; L170-I268 HydrophobicContact CG-CD1 4.44Å
171R95.6Very high96.4Very high81 Ų8163.2 Ų63.231%0.30636%0.357SS..Hα-helixtrans-70.6-35.2172.4-73.8-64.2-60.1144.55.6112W167 N168 D169 E173 G174 N175 T180W167-R171 HydrophobicContact CD2-CG 4.29Å; W167-R171 HydrophobicContact CG-CG 4.5Å; W167-R171 HydrophobicContact CZ2-CG 4.12Å; W167-R171 WeakPolarHBondContact O-CB 3.25Å; W167-R171 VanDerWaalsContact O-CG 3.29Å; W167-R171 WeakPolarHBondContact O-CG 3.36Å; W167-R171 PolarHBondContact O-N 2.97Å; N168-R171 PolarHBondContact O-N 3.05Å; D169-R171 VanDerWaalsContact C-N 3.32Å; D169-R171 PolarHBondContact O-N 3.33Å; R171-E173 PolarHBondContact O-N 3.23Å; R171-G174 PolarHBondContact O-N 2.94Å; R171-N175 PolarHBondContact NH1-O 2.82Å; R171-T180 VanDerWaalsContact CD-CG2 3.42Å; R171-T180 HydrophobicContact CG-CG2 3.89Å; R171-T180 PolarHBondContact NH1-OG1 3.25Å
172N95.6Very high96.4Very high131 Ų13159.8 Ų59.870%0.70134%0.341SS*.Hα-helixtrans-70.5-14.2179-70.1-25000113.2N168 D169 G174N168-N172 PolarHBondContact O-N 3.21Å; N168-N172 PolarHBondContact O-ND2 3.08Å; D169-N172 WeakPolarHBondContact O-CB 3.3Å; D169-N172 PolarHBondContact O-N 3.49Å; D169-N172 VanDerWaalsContact O-N 3.12Å; N172-G174 PolarHBondContact O-N 3.21Å
173E93.8Very high96.3Very high93 Ų9364 Ų6444%0.43536%0.355SS..THydrogen-bonded Turntrans-69.8-4.8171.9-65.6175.4-163.600113.6D169 L170 R171 N175 S264D169-E173 PolarHBondContact O-N 2.82Å; L170-E173 WeakPolarHBondContact CD1-OE2 3.27Å; R171-E173 PolarHBondContact O-N 3.23Å; E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-N 3.3Å; E173-S264 WeakPolarHBondContact OE1-CB 3.29Å; E173-S264 PolarHBondContact OE1-OG 2.94Å
174G92.8Very high96.3Very high70 Ų7063.9 Ų63.972%0.72235%0.352SS*.THydrogen-bonded Turntrans845.2174.300000115R171 N172R171-G174 PolarHBondContact O-N 2.94Å; N172-G174 PolarHBondContact O-N 3.21Å
175N92.1Very high96.3Very high45 Ų4564.1 Ų64.124%0.24135%0.35CS..  trans-67147.8175.8-69.9-53.9000112.1R171 E173 T179 W183R171-N175 PolarHBondContact NH1-O 2.82Å; E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-N 3.3Å; N175-T179 HydrophobicContact CB-CG2 4.35Å; N175-W183 WeakPolarHBondContact ND2-CZ3 3.37Å
176G95Very high96.3Very high44 Ų4467.3 Ų67.345%0.45437%0.365SS..  trans-61.7152.2171.300000111.9F178 T179 T180G176-F178 VanDerWaalsContact C-N 3.27Å; G176-F178 PolarHBondContact O-N 3.35Å; G176-T179 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-OG1 3.44Å
177V94.8Very high96.4Very high84 Ų8468.5 Ų68.551%0.50937%0.372SS..Hα-helixtrans-54.4-43.4-174.8176.70000112T179 T180 T181V177-T179 PolarHBondContact O-N 3.45Å; V177-T180 PolarHBondContact O-N 3.07Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 3.43Å; V177-T181 PolarHBondContact O-OG1 2.96Å
178F96.7Very high96.4Very high171 Ų17166.2 Ų66.275%0.7536%0.364SS*.Hα-helixtrans-59.9-45.4178.4-179-96.5000112.6G176 T181 T182G176-F178 VanDerWaalsContact C-N 3.27Å; G176-F178 PolarHBondContact O-N 3.35Å; F178-T181 PolarHBondContact O-N 3.31Å; F178-T182 WeakPolarHBondContact O-CB 3.42Å; F178-T182 PolarHBondContact O-N 3.23Å; F178-T182 PolarHBondContact O-OG1 2.89Å
179T96.4Very high96.5Very high52 Ų5266.6 Ų66.632%0.31937%0.365SS..Hα-helixtrans-64.7-48177.6-53.60000110.9N175 G176 V177 T181 T182 W183N175-T179 HydrophobicContact CB-CG2 4.35Å; G176-T179 PolarHBondContact O-N 3.04Å; V177-T179 PolarHBondContact O-N 3.45Å; T179-T181 VanDerWaalsContact C-N 3.34Å; T179-T181 PolarHBondContact O-N 3.35Å; T179-T182 PolarHBondContact O-N 2.98Å; T179-W183 HydrophobicContact CG2-CD2 4.19Å; T179-W183 HydrophobicContact CG2-CG 4.48Å; T179-W183 HydrophobicContact CG2-CZ2 4.1Å; T179-W183 PolarHBondContact O-N 3.06Å
180T96.6Very high96.6Very high0 Ų066.2 Ų66.20%037%0.367CS..Hα-helixtrans-57.1-47.3177.1-55.60000111.4W167 L170 R171 G176 V177 T182 W183 F184W167-T180 HydrophobicContact CE3-CG2 4.27Å; W167-T180 HydrophobicContact CH2-CG2 4.28Å; W167-T180 HydrophobicContact CZ3-CG2 4.05Å; L170-T180 HydrophobicContact CB-CG2 4.13Å; L170-T180 HydrophobicContact CD2-CG2 3.85Å; L170-T180 HydrophobicContact CG-CG2 3.81Å; R171-T180 VanDerWaalsContact CD-CG2 3.42Å; R171-T180 HydrophobicContact CG-CG2 3.89Å; R171-T180 PolarHBondContact NH1-OG1 3.25Å; G176-T180 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-OG1 3.44Å; V177-T180 PolarHBondContact O-N 3.07Å; T180-T182 PolarHBondContact O-N 3.14Å; T180-W183 PolarHBondContact O-N 3.35Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 2.82Å
181T97.6Very high96.7Very high49 Ų4966.1 Ų66.130%0.30137%0.366SS..Hα-helixtrans-61.8-44.3178.6-59.80000111.8W167 V177 F178 T179 F184 L185W167-T181 WeakPolarHBondContact CH2-OG1 3.22Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 3.43Å; V177-T181 PolarHBondContact O-OG1 2.96Å; F178-T181 PolarHBondContact O-N 3.31Å; T179-T181 VanDerWaalsContact C-N 3.34Å; T179-T181 PolarHBondContact O-N 3.35Å; T181-F184 PolarHBondContact O-N 3Å; T181-L185 HydrophobicContact CG2-CD1 3.97Å; T181-L185 HydrophobicContact CG2-CG 4.38Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 WeakPolarHBondContact O-CG 3.17Å; T181-L185 PolarHBondContact O-N 2.59Å
182T97.8Very high96.9Very high56 Ų5664.7 Ų64.734%0.34436%0.364SS..Hα-helixtrans-63.2-45.6180-57.60000111.4F178 T179 T180 T186F178-T182 WeakPolarHBondContact O-CB 3.42Å; F178-T182 PolarHBondContact O-N 3.23Å; F178-T182 PolarHBondContact O-OG1 2.89Å; T179-T182 PolarHBondContact O-N 2.98Å; T180-T182 PolarHBondContact O-N 3.14Å; T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.74Å
183W97.2Very high97Very high118 Ų11863.1 Ų63.145%0.44736%0.355SS..Hα-helixtrans-64.9-45.7177-739.8000111.5L170 N175 T179 T180 L185 T186 I187L170-W183 HydrophobicContact CD1-CE3 4.09Å; L170-W183 HydrophobicContact CD2-CB 4.1Å; N175-W183 WeakPolarHBondContact ND2-CZ3 3.37Å; T179-W183 HydrophobicContact CG2-CD2 4.19Å; T179-W183 HydrophobicContact CG2-CG 4.48Å; T179-W183 HydrophobicContact CG2-CZ2 4.1Å; T179-W183 PolarHBondContact O-N 3.06Å; T180-W183 PolarHBondContact O-N 3.35Å; W183-L185 PolarHBondContact O-N 3.42Å; W183-T186 PolarHBondContact O-N 3.48Å; W183-I187 WeakPolarHBondContact O-CB 3.19Å; W183-I187 WeakPolarHBondContact O-CD1 3.35Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.29Å
184F98.5Very high97.2Very high26 Ų2660.6 Ų60.611%0.11435%0.347CS..Hα-helixtrans-54.4-53.6176.1176-85.3000111.3T163 W167 L170 T180 T181 T186 I187 F188 I268T163-F184 HydrophobicContact CG2-CE2 3.99Å; T163-F184 HydrophobicContact CG2-CZ 3.61Å; W167-F184 HydrophobicContact CB-CD2 4.42Å; W167-F184 HydrophobicContact CB-CE2 4.39Å; W167-F184 HydrophobicContact CE3-CB 4.18Å; W167-F184 AromaticContact CE3-CD2 3.93Å; W167-F184 HydrophobicContact CE3-CD2 3.93Å; W167-F184 AromaticContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CZ3-CB 4.24Å; W167-F184 HydrophobicContact CZ3-CG 4.33Å; L170-F184 HydrophobicContact CD2-CB 4.07Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 2.82Å; T181-F184 PolarHBondContact O-N 3Å; F184-T186 VanDerWaalsContact C-N 3.34Å; F184-T186 PolarHBondContact O-N 3.28Å; F184-I187 PolarHBondContact O-N 3.43Å; F184-F188 HydrophobicContact CE1-CB 4.29Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.14Å; F184-F188 PolarHBondContact O-N 3.01Å; F184-I268 HydrophobicContact CD2-CB 4.5Å; F184-I268 HydrophobicContact CD2-CD1 3.71Å; F184-I268 HydrophobicContact CD2-CG1 3.81Å; F184-I268 HydrophobicContact CD2-CG2 3.84Å; F184-I268 HydrophobicContact CE2-CD1 4.39Å; F184-I268 HydrophobicContact CE2-CG1 3.98Å; F184-I268 HydrophobicContact CE2-CG2 3.89Å; F184-I268 HydrophobicContact CG-CG2 4.37Å; F184-I268 HydrophobicContact CZ-CG2 4.45Å; F184-I268 WeakPolarHBondContact O-CG2 3.43Å
185L98.5Very high97.5Very high86 Ų8658.4 Ų58.445%0.4532%0.317SS..Hα-helixtrans-63.3-41.3-178.6-69.7174.9000111.7T181 W183 F188 I189T181-L185 HydrophobicContact CG2-CD1 3.97Å; T181-L185 HydrophobicContact CG2-CG 4.38Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 WeakPolarHBondContact O-CG 3.17Å; T181-L185 PolarHBondContact O-N 2.59Å; W183-L185 PolarHBondContact O-N 3.42Å; L185-F188 PolarHBondContact O-N 2.76Å; L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.23Å; L185-I189 WeakPolarHBondContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.24Å
186T98.5Very high97.8Very high89 Ų8957.2 Ų57.255%0.54631%0.312SS..Hα-helixtrans-62-48.3178.4-57.70000111.2T182 W183 F184 S190T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.74Å; W183-T186 PolarHBondContact O-N 3.48Å; F184-T186 VanDerWaalsContact C-N 3.34Å; F184-T186 PolarHBondContact O-N 3.28Å; T186-S190 WeakPolarHBondContact O-CB 3.37Å; T186-S190 PolarHBondContact O-N 3.13Å; T186-S190 PolarHBondContact O-OG 3.49Å
187I98.6Very high98Very high26 Ų2657.6 Ų57.613%0.13330%0.303CS..Hα-helixtrans-65.7-45.6179.5-63.2163000110W183 F184 I189 S190 G191 T265 I268 F269W183-I187 WeakPolarHBondContact O-CB 3.19Å; W183-I187 WeakPolarHBondContact O-CD1 3.35Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.29Å; F184-I187 PolarHBondContact O-N 3.43Å; I187-I189 PolarHBondContact O-N 3.47Å; I187-S190 WeakPolarHBondContact CA-OG 3.22Å; I187-S190 PolarHBondContact O-N 2.71Å; I187-S190 PolarHBondContact O-OG 2.91Å; I187-G191 PolarHBondContact O-N 3.19Å; I187-T265 HydrophobicContact CD1-CG2 4.18Å; I187-T265 HydrophobicContact CG1-CG2 4.42Å; I187-T265 HydrophobicContact CG2-CG2 4.02Å; I187-I268 HydrophobicContact CB-CB 4.33Å; I187-I268 HydrophobicContact CB-CG2 3.8Å; I187-I268 HydrophobicContact CD1-CD1 4.48Å; I187-I268 HydrophobicContact CG2-CB 3.78Å; I187-I268 HydrophobicContact CG2-CG2 3.69Å; I187-F269 HydrophobicContact CG2-CB 3.81Å; I187-F269 HydrophobicContact CG2-CD2 4.49Å
188F98.8Very high98.1Very high34 Ų3455.2 Ų55.215%0.14929%0.287CS..Hα-helixtrans-61.7-47.2-179.6-172.5-94.6000111.8F184 L185 S190 G191 I192 I268 S271 G272 F275F184-F188 HydrophobicContact CE1-CB 4.29Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.14Å; F184-F188 PolarHBondContact O-N 3.01Å; L185-F188 PolarHBondContact O-N 2.76Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.25Å; F188-G191 PolarHBondContact O-N 3.43Å; F188-G191 VanDerWaalsContact O-N 3.15Å; F188-I192 HydrophobicContact CD1-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.6Å; F188-I192 HydrophobicContact CE1-CG1 4.36Å; F188-I192 HydrophobicContact CZ-CD1 4.49Å; F188-I192 PolarHBondContact O-N 3.31Å; F188-I192 VanDerWaalsContact O-N 3.13Å; F188-I268 HydrophobicContact CB-CG2 3.88Å; F188-S271 WeakPolarHBondContact CD2-OG 3.4Å; F188-S271 WeakPolarHBondContact CE2-OG 3.33Å; F188-G272 VanDerWaalsContact CE2-CA 3.5Å; F188-G272 WeakPolarHBondContact O-CA 3.3Å; F188-F275 HydrophobicContact CE1-CD1 4.15Å; F188-F275 HydrophobicContact CZ-CB 4.05Å; F188-F275 HydrophobicContact CZ-CD1 4Å; F188-F275 HydrophobicContact CZ-CG 4.08Å
189I98.7Very high98.2Very high88 Ų8847.4 Ų47.445%0.45125%0.253SS..Hα-helixtrans-63.6-39.3176.2-68.7167.4000110.7L185 I187 G191 I192 L193L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.23Å; L185-I189 WeakPolarHBondContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.24Å; I187-I189 PolarHBondContact O-N 3.47Å; I189-G191 VanDerWaalsContact C-N 3.25Å; I189-G191 PolarHBondContact O-N 3.27Å; I189-I192 PolarHBondContact O-N 3.39Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.26Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.28Å
190S98.6Very high98.3Very high46 Ų4645 Ų4532%0.32224%0.238SC..Hα-helixtrans-61.8-34.8175.278.40000112.4T186 I187 F188 L193 C194 F269T186-S190 WeakPolarHBondContact O-CB 3.37Å; T186-S190 PolarHBondContact O-N 3.13Å; T186-S190 PolarHBondContact O-OG 3.49Å; I187-S190 WeakPolarHBondContact CA-OG 3.22Å; I187-S190 PolarHBondContact O-N 2.71Å; I187-S190 PolarHBondContact O-OG 2.91Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.25Å; S190-L193 PolarHBondContact O-N 2.61Å; S190-C194 VanDerWaalsContact O-CB 3.27Å; S190-C194 WeakPolarHBondContact O-CB 3.34Å; S190-C194 PolarHBondContact O-N 3.34Å; S190-F269 WeakPolarHBondContact OG-CD2 3.17Å
191G98.7Very high98.4Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-61.4-47.4171.800000112.2I187 F188 I189 C194 W195 N273I187-G191 PolarHBondContact O-N 3.19Å; F188-G191 PolarHBondContact O-N 3.43Å; F188-G191 VanDerWaalsContact O-N 3.15Å; I189-G191 VanDerWaalsContact C-N 3.25Å; I189-G191 PolarHBondContact O-N 3.27Å; G191-C194 WeakPolarHBondContact O-CB 3.31Å; G191-C194 PolarHBondContact O-N 3.26Å; G191-W195 PolarHBondContact O-N 3.42Å; G191-N273 VanDerWaalsContact O-CA 3.27Å; G191-N273 WeakPolarHBondContact O-CA 3.4Å; G191-N273 PolarHBondContact O-ND2 3.5Å
192I98.8Very high98.4Very high51 Ų5149.3 Ų49.326%0.26226%0.255SS..Hα-helixtrans-61.4-45.4176.1-64.1170.2000111.2F188 I189 C194 W195 S196 G272 F275F188-I192 HydrophobicContact CD1-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.6Å; F188-I192 HydrophobicContact CE1-CG1 4.36Å; F188-I192 HydrophobicContact CZ-CD1 4.49Å; F188-I192 PolarHBondContact O-N 3.31Å; F188-I192 VanDerWaalsContact O-N 3.13Å; I189-I192 PolarHBondContact O-N 3.39Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I192-C194 VanDerWaalsContact C-N 3.35Å; I192-W195 WeakPolarHBondContact O-CB 3.17Å; I192-W195 PolarHBondContact O-N 3.27Å; I192-S196 PolarHBondContact O-N 2.73Å; I192-G272 WeakPolarHBondContact CG1-O 3.12Å; I192-F275 HydrophobicContact CD1-CD1 3.84Å; I192-F275 HydrophobicContact CD1-CE1 4.27Å; I192-F275 HydrophobicContact CG1-CD1 4.19Å
193L98.4Very high98.4Very high98 Ų9846.7 Ų46.751%0.51324%0.239SC..Hα-helixtrans-64.3-41.2178.6-68.8177.3000111.4I189 S190 W195 S196 L197I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.26Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.28Å; S190-L193 PolarHBondContact O-N 2.61Å; L193-W195 VanDerWaalsContact C-N 3.33Å; L193-W195 PolarHBondContact O-N 2.81Å; L193-S196 PolarHBondContact O-N 3.02Å; L193-S196 PolarHBondContact O-OG 2.89Å; L193-L197 PolarHBondContact O-N 3.02Å; L193-L197 VanDerWaalsContact O-N 3.1Å
194C98.4Very high98.4Very high39 Ų3944.1 Ų44.126%0.26423%0.229SC..Hα-helixtrans-59.8-43.8173-176.80000111.1S190 G191 I192 S196 L197 M198 F269S190-C194 VanDerWaalsContact O-CB 3.27Å; S190-C194 WeakPolarHBondContact O-CB 3.34Å; S190-C194 PolarHBondContact O-N 3.34Å; G191-C194 WeakPolarHBondContact O-CB 3.31Å; G191-C194 PolarHBondContact O-N 3.26Å; I192-C194 VanDerWaalsContact C-N 3.35Å; C194-S196 PolarHBondContact O-N 3.27Å; C194-L197 WeakPolarHBondContact O-CB 3.35Å; C194-L197 PolarHBondContact O-N 3.49Å; C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3Å; C194-F269 HydrophobicContact CB-CE1 4.45Å; C194-F269 HydrophobicContact CB-CE2 4.26Å; C194-F269 HydrophobicContact CB-CZ 3.6Å
195W98.7Very high98.4Very high25 Ų2549 Ų4910%0.09525%0.248CC..Hα-helixtrans-56.9-48.9172.9168.3-94.1000111.5G191 I192 L193 L197 M198 E199 N273 G276 Y277 Y280G191-W195 PolarHBondContact O-N 3.42Å; I192-W195 WeakPolarHBondContact O-CB 3.17Å; I192-W195 PolarHBondContact O-N 3.27Å; L193-W195 VanDerWaalsContact C-N 3.33Å; L193-W195 PolarHBondContact O-N 2.81Å; W195-L197 PolarHBondContact O-N 3.11Å; W195-M198 CarbonylContact O-C 3.55Å; W195-M198 WeakPolarHBondContact O-CA 3.21Å; W195-M198 WeakPolarHBondContact O-CB 3.13Å; W195-M198 PolarHBondContact O-N 3.29Å; W195-E199 HydrophobicContact CZ2-CB 4.25Å; W195-E199 WeakPolarHBondContact O-CB 3.32Å; W195-E199 PolarHBondContact O-N 3.26Å; W195-N273 WeakPolarHBondContact CB-O 3.34Å; W195-N273 PolarHBondContact N-ND2 3.28Å; W195-G276 VanDerWaalsContact CG-C 3.44Å; W195-G276 PolarHBondContact NE1-O 3.04Å; W195-Y277 AromaticContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CE2 4.41Å; W195-Y277 AromaticContact CH2-CG 3.96Å; W195-Y277 HydrophobicContact CH2-CG 3.96Å; W195-Y277 AromaticContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CG 4.27Å; W195-Y277 AromaticContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CG 4.15Å; W195-Y280 HydrophobicContact CH2-CD1 4.33Å; W195-Y280 AromaticContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD1 3.48Å; W195-Y280 VanDerWaalsContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD2 4.46Å; W195-Y280 HydrophobicContact CZ2-CE1 4.15Å; W195-Y280 AromaticContact CZ2-CG 3.66Å; W195-Y280 HydrophobicContact CZ2-CG 3.66Å; W195-Y280 AromaticContact NE1-CG 3.9Å
196S98.5Very high98.2Very high19 Ų1946.5 Ų46.513%0.13324%0.243CC..Hα-helixtrans-59.3-32.6-178.876.30000112.7I192 L193 C194 Y200 W324I192-S196 PolarHBondContact O-N 2.73Å; L193-S196 PolarHBondContact O-N 3.02Å; L193-S196 PolarHBondContact O-OG 2.89Å; C194-S196 PolarHBondContact O-N 3.27Å; S196-Y200 PolarHBondContact O-N 2.84Å; S196-W324 PolarHBondContact O-NE1 2.95Å; S196-W324 PolarHBondContact OG-NE1 2.97Å
197L98.5Very high98.1Very high52 Ų5243.5 Ų43.527%0.27222%0.222SC..Hα-helixtrans-73.1-42.6174.5-176.162.3000111.2L193 C194 W195 Y200 F201 W324 F328L193-L197 PolarHBondContact O-N 3.02Å; L193-L197 VanDerWaalsContact O-N 3.1Å; C194-L197 WeakPolarHBondContact O-CB 3.35Å; C194-L197 PolarHBondContact O-N 3.49Å; W195-L197 PolarHBondContact O-N 3.11Å; L197-Y200 WeakPolarHBondContact O-CB 3.17Å; L197-Y200 PolarHBondContact O-N 3.25Å; L197-F201 HydrophobicContact CD1-CD2 3.99Å; L197-F201 HydrophobicContact CD1-CE2 3.51Å; L197-F201 HydrophobicContact CD1-CZ 4.48Å; L197-F201 HydrophobicContact CD2-CE2 4.3Å; L197-F201 HydrophobicContact CG-CD2 3.92Å; L197-F201 HydrophobicContact CG-CE2 3.72Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.45Å; L197-F201 PolarHBondContact O-N 3.42Å; L197-F201 VanDerWaalsContact O-N 3.11Å; L197-W324 HydrophobicContact CB-CH2 4.48Å; L197-W324 HydrophobicContact CB-CZ2 3.85Å; L197-W324 HydrophobicContact CD1-CD2 3.61Å; L197-W324 HydrophobicContact CD1-CE3 3.61Å; L197-W324 HydrophobicContact CD1-CG 4.24Å; L197-W324 HydrophobicContact CD1-CH2 3.97Å; L197-W324 HydrophobicContact CD1-CZ2 3.97Å; L197-W324 HydrophobicContact CD1-CZ3 3.8Å; L197-W324 HydrophobicContact CG-CZ2 4.4Å; L197-F328 HydrophobicContact CD1-CE2 3.92Å; L197-F328 HydrophobicContact CD1-CZ 4.29Å
198M98.2Very high98.1Very high35 Ų3542.7 Ų42.717%0.17222%0.218CC..Hα-helixtrans-61.6-42.4174.9-69.5172.961.200111.8C194 W195 Y200 F201 I202 L253C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3Å; W195-M198 CarbonylContact O-C 3.55Å; W195-M198 WeakPolarHBondContact O-CA 3.21Å; W195-M198 WeakPolarHBondContact O-CB 3.13Å; W195-M198 PolarHBondContact O-N 3.29Å; M198-Y200 VanDerWaalsContact C-N 3.3Å; M198-Y200 PolarHBondContact O-N 3.5Å; M198-F201 PolarHBondContact O-N 2.93Å; M198-I202 HydrophobicContact CB-CD1 4.25Å; M198-I202 VanDerWaalsContact O-CB 3.28Å; M198-I202 WeakPolarHBondContact O-CB 3.26Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.25Å; M198-L253 HydrophobicContact CE-CD1 3.46Å; M198-L253 VanDerWaalsContact CE-CD1 3.46Å; M198-L253 HydrophobicContact CE-CD2 3.72Å; M198-L253 HydrophobicContact CE-CG 4.23Å
199E98.4Very high97.9Very high7 Ų745.9 Ų45.93%0.03323%0.229CC..Hα-helixtrans-50.4-52172.4175.2-168.1140.500110.4W195 F201 H203 Y280 I319 S320W195-E199 HydrophobicContact CZ2-CB 4.25Å; W195-E199 WeakPolarHBondContact O-CB 3.32Å; W195-E199 PolarHBondContact O-N 3.26Å; E199-F201 PolarHBondContact O-N 2.81Å; E199-H203 WeakPolarHBondContact O-CB 3.23Å; E199-H203 PolarHBondContact O-N 3.07Å; E199-Y280 HydrophobicContact CG-CD2 3.53Å; E199-Y280 HydrophobicContact CG-CE2 3.61Å; E199-Y280 HydrophobicContact CG-CG 4.35Å; E199-Y280 VanDerWaalsContact OE2-CD2 3.31Å; E199-Y280 WeakPolarHBondContact OE2-CD2 3.45Å; E199-I319 WeakPolarHBondContact OE1-CA 3.15Å; E199-I319 WeakPolarHBondContact OE1-CB 3.33Å; E199-I319 PolarHBondContact OE1-N 2.65Å; E199-S320 PolarHBondContact OE1-N 2.82Å; E199-S320 VanDerWaalsContact OE2-CB 3.27Å; E199-S320 WeakPolarHBondContact OE2-CB 3.44Å; E199-S320 PolarHBondContact OE2-OG 3.38Å
200Y98.6Very high97.7Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-58.3-48.8178.5178.8-92.2000112.3S196 L197 M198 R204 Y317 W324 D325 F328 T330S196-Y200 PolarHBondContact O-N 2.84Å; L197-Y200 WeakPolarHBondContact O-CB 3.17Å; L197-Y200 PolarHBondContact O-N 3.25Å; M198-Y200 VanDerWaalsContact C-N 3.3Å; M198-Y200 PolarHBondContact O-N 3.5Å; Y200-R204 VanDerWaalsContact O-CB 3.26Å; Y200-R204 WeakPolarHBondContact O-CB 3.38Å; Y200-R204 PolarHBondContact O-N 3.44Å; Y200-R204 WeakPolarHBondContact OH-CD 3.43Å; Y200-R204 PolarHBondContact OH-NH1 2.75Å; Y200-Y317 HydrophobicContact CE2-CD2 4.17Å; Y200-Y317 HydrophobicContact CE2-CG 4.49Å; Y200-W324 HydrophobicContact CD1-CB 4.17Å; Y200-W324 HydrophobicContact CD2-CB 3.45Å; Y200-W324 VanDerWaalsContact CD2-CB 3.45Å; Y200-W324 HydrophobicContact CE2-CB 4.12Å; Y200-W324 HydrophobicContact CG-CB 3.48Å; Y200-W324 VanDerWaalsContact CG-CB 3.48Å; Y200-W324 HydrophobicContact CG-CG 4.33Å; Y200-D325 WeakPolarHBondContact CE2-OD1 3.5Å; Y200-F328 AromaticContact CD1-CD2 3.7Å; Y200-F328 HydrophobicContact CD1-CD2 3.7Å; Y200-F328 AromaticContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CE1-CB 3.95Å; Y200-F328 AromaticContact CE1-CD2 3.29Å; Y200-F328 HydrophobicContact CE1-CD2 3.29Å; Y200-F328 AromaticContact CE1-CE2 3.98Å; Y200-F328 HydrophobicContact CE1-CE2 3.98Å; Y200-F328 AromaticContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE2-CD2 4.43Å; Y200-F328 HydrophobicContact CG-CD2 4.44Å; Y200-F328 AromaticContact CZ-CD2 3.72Å; Y200-F328 WeakPolarHBondContact OH-CB 3.22Å; Y200-T330 WeakPolarHBondContact CE2-OG1 3.19Å; Y200-T330 WeakPolarHBondContact OH-CG2 3.38Å; Y200-T330 PolarHBondContact OH-OG1 3.33Å
201F98.2Very high97.6Very high86 Ų8644.7 Ų44.738%0.37722%0.217SC..Hα-helixtrans-69.8-42.3-178.4-78.2-69000113L197 M198 E199 H203 Y205 F328L197-F201 HydrophobicContact CD1-CD2 3.99Å; L197-F201 HydrophobicContact CD1-CE2 3.51Å; L197-F201 HydrophobicContact CD1-CZ 4.48Å; L197-F201 HydrophobicContact CD2-CE2 4.3Å; L197-F201 HydrophobicContact CG-CD2 3.92Å; L197-F201 HydrophobicContact CG-CE2 3.72Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.45Å; L197-F201 PolarHBondContact O-N 3.42Å; L197-F201 VanDerWaalsContact O-N 3.11Å; M198-F201 PolarHBondContact O-N 2.93Å; E199-F201 PolarHBondContact O-N 2.81Å; F201-H203 VanDerWaalsContact C-N 3.33Å; F201-Y205 AromaticContact CD1-CD2 3.65Å; F201-Y205 HydrophobicContact CD1-CD2 3.65Å; F201-Y205 AromaticContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CE1-CD2 4.39Å; F201-Y205 AromaticContact CE1-CE2 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 3.91Å; F201-Y205 WeakPolarHBondContact O-CB 3.28Å; F201-Y205 PolarHBondContact O-N 3.38Å; F201-F328 HydrophobicContact CE2-CE2 4.41Å; F201-F328 HydrophobicContact CE2-CZ 4.25Å; F201-F328 HydrophobicContact CZ-CE1 4.32Å; F201-F328 HydrophobicContact CZ-CE2 4.15Å; F201-F328 AromaticContact CZ-CZ 3.75Å; F201-F328 HydrophobicContact CZ-CZ 3.75Å
202I97.4Very high97.4Very high55 Ų5547 Ų4728%0.28223%0.233SC..Iπ-helixtrans-62.6-45.2176.4-68.9166.9000109M198 G206 F207M198-I202 HydrophobicContact CB-CD1 4.25Å; M198-I202 VanDerWaalsContact O-CB 3.28Å; M198-I202 WeakPolarHBondContact O-CB 3.26Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.25Å; I202-G206 CarbonylContact O-C 3.54Å; I202-G206 WeakPolarHBondContact O-CA 3.45Å; I202-G206 PolarHBondContact O-N 3.47Å; I202-F207 HydrophobicContact CG2-CD1 3.97Å; I202-F207 HydrophobicContact CG2-CD2 4.35Å; I202-F207 HydrophobicContact CG2-CE1 3.6Å; I202-F207 HydrophobicContact CG2-CE2 4Å; I202-F207 HydrophobicContact CG2-CG 4.33Å; I202-F207 HydrophobicContact CG2-CZ 3.61Å; I202-F207 PolarHBondContact O-N 3.08Å
203H98.1Very high97.2Very high1 Ų148.3 Ų48.31%0.00524%0.242CC..Iπ-helixtrans-65.9-49.1179.8-167.1-172.3000111.2E199 F201 F207 H208 H226 H308 Y317E199-H203 WeakPolarHBondContact O-CB 3.23Å; E199-H203 PolarHBondContact O-N 3.07Å; F201-H203 VanDerWaalsContact C-N 3.33Å; H203-F207 HydrophobicContact CB-CD2 4.38Å; H203-F207 AromaticContact CD2-CD2 3.98Å; H203-F207 WeakPolarHBondContact O-CB 3.47Å; H203-H208 AromaticContact CD2-CD2 3.43Å; H203-H208 PolarHBondContact CD2-CD2 2.97Å; H203-H208 VanDerWaalsContact CD2-CD2 3.43Å; H203-H208 AromaticContact CD2-NE2 3.69Å; H203-H208 AromaticContact NE2-CD2 3.56Å; H203-H208 AromaticContact NE2-NE2 3.31Å; H203-H208 PolarHBondContact NE2-NE2 3.3Å; H203-H208 PolarHBondContact O-CD2 3.1Å; H203-H208 VanDerWaalsContact O-CD2 3.29Å; H203-H208 PolarHBondContact O-N 3.01Å; H203-H226 AromaticContact CD2-CE1 3.92Å; H203-H226 AromaticContact CD2-NE2 3.59Å; H203-H226 AromaticContact NE2-CE1 3.66Å; H203-H226 AromaticContact NE2-NE2 3.25Å; H203-H226 PolarHBondContact NE2-NE2 2.77Å; H203-H308 AromaticContact CE1-CD2 3.99Å; H203-H308 AromaticContact CE1-CE1 3.76Å; H203-H308 AromaticContact CE1-NE2 3.46Å; H203-H308 PolarHBondContact CE1-NE2 3.21Å; H203-H308 AromaticContact NE2-CE1 3.6Å; H203-H308 AromaticContact NE2-NE2 3.15Å; H203-H308 PolarHBondContact NE2-NE2 3.31Å; H203-H308 VanDerWaalsContact NE2-NE2 3.15Å; H203-Y317 PolarHBondContact ND1-O 3.02Å
204R97.9Very high97Very high64 Ų6450.3 Ų50.324%0.24225%0.254CS..Iπ-helixtrans-69.8-46.5-177.2-177.9171.1-179.9-174.3-0.3114.1Y200 H208 Y317Y200-R204 VanDerWaalsContact O-CB 3.26Å; Y200-R204 WeakPolarHBondContact O-CB 3.38Å; Y200-R204 PolarHBondContact O-N 3.44Å; Y200-R204 WeakPolarHBondContact OH-CD 3.43Å; Y200-R204 PolarHBondContact OH-NH1 2.75Å; R204-H208 WeakPolarHBondContact O-CB 3.41Å; R204-Y317 HydrophobicContact CB-CD1 3.87Å; R204-Y317 HydrophobicContact CB-CD2 3.98Å; R204-Y317 HydrophobicContact CB-CE1 4.1Å; R204-Y317 HydrophobicContact CB-CE2 4.21Å; R204-Y317 HydrophobicContact CB-CG 3.79Å; R204-Y317 HydrophobicContact CG-CD1 4.3Å; R204-Y317 HydrophobicContact CG-CD2 3.93Å; R204-Y317 HydrophobicContact CG-CE1 4.09Å; R204-Y317 HydrophobicContact CG-CE2 3.69Å; R204-Y317 HydrophobicContact CG-CG 4.21Å
205Y97.2Very high96.9Very high129 Ų12949.9 Ų49.951%0.50625%0.251SS..Iπ-helixtrans-109.7-15.3-170.2-60.7-77.1000114.2F201 W209F201-Y205 AromaticContact CD1-CD2 3.65Å; F201-Y205 HydrophobicContact CD1-CD2 3.65Å; F201-Y205 AromaticContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CE1-CD2 4.39Å; F201-Y205 AromaticContact CE1-CE2 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 3.91Å; F201-Y205 WeakPolarHBondContact O-CB 3.28Å; F201-Y205 PolarHBondContact O-N 3.38Å; Y205-W209 WeakPolarHBondContact O-CB 3.39Å
206G95.5Very high96.7Very high33 Ų3352 Ų5234%0.3427%0.268SS..Iπ-helixtrans-95-59171.900000111.4I202 W209I202-G206 CarbonylContact O-C 3.54Å; I202-G206 WeakPolarHBondContact O-CA 3.45Å; I202-G206 PolarHBondContact O-N 3.47Å; G206-W209 WeakPolarHBondContact O-CB 3.45Å
207F97.1Very high96.6Very high26 Ų2659.6 Ų59.611%0.11430%0.299CS..Iπ-helixtrans-78.9-29.3-173-69.8-5.4000113.8I202 H203 H222 H226I202-F207 HydrophobicContact CG2-CD1 3.97Å; I202-F207 HydrophobicContact CG2-CD2 4.35Å; I202-F207 HydrophobicContact CG2-CE1 3.6Å; I202-F207 HydrophobicContact CG2-CE2 4Å; I202-F207 HydrophobicContact CG2-CG 4.33Å; I202-F207 HydrophobicContact CG2-CZ 3.61Å; I202-F207 PolarHBondContact O-N 3.08Å; H203-F207 HydrophobicContact CB-CD2 4.38Å; H203-F207 AromaticContact CD2-CD2 3.98Å; H203-F207 WeakPolarHBondContact O-CB 3.47Å; F207-H222 PolarHBondContact O-NE2 3.48Å; F207-H226 HydrophobicContact CB-CB 3.58Å; F207-H226 VanDerWaalsContact CB-CG 3.47Å; F207-H226 HydrophobicContact CD1-CB 4.08Å; F207-H226 HydrophobicContact CD2-CB 4.23Å; F207-H226 AromaticContact CD2-CE1 3.87Å; F207-H226 AromaticContact CD2-CG 3.84Å; F207-H226 AromaticContact CD2-ND1 3.5Å; F207-H226 WeakPolarHBondContact CD2-ND1 3.26Å; F207-H226 HydrophobicContact CG-CB 3.72Å; F207-H226 AromaticContact CG-CG 3.73Å; F207-H226 AromaticContact CG-ND1 3.89Å
208H96.8Very high96.5Very high9 Ų960.3 Ų60.34%0.04230%0.302CS..THydrogen-bonded Turntrans-102.722.5172.8-78.1-79.5000113.2W121 H125 H203 R204 H226 H230 H308 Y317W121-H208 HydrophobicContact CH2-CB 4.44Å; W121-H208 AromaticContact CH2-ND1 3.96Å; H125-H208 AromaticContact NE2-CE1 3.79Å; H125-H208 AromaticContact NE2-ND1 3.88Å; H203-H208 AromaticContact CD2-CD2 3.43Å; H203-H208 PolarHBondContact CD2-CD2 2.97Å; H203-H208 VanDerWaalsContact CD2-CD2 3.43Å; H203-H208 AromaticContact CD2-NE2 3.69Å; H203-H208 AromaticContact NE2-CD2 3.56Å; H203-H208 AromaticContact NE2-NE2 3.31Å; H203-H208 PolarHBondContact NE2-NE2 3.3Å; H203-H208 PolarHBondContact O-CD2 3.1Å; H203-H208 VanDerWaalsContact O-CD2 3.29Å; H203-H208 PolarHBondContact O-N 3.01Å; R204-H208 WeakPolarHBondContact O-CB 3.41Å; H208-H226 AromaticContact NE2-CD2 3.82Å; H208-H226 AromaticContact NE2-NE2 3.53Å; H208-H230 AromaticContact CE1-CE1 3.52Å; H208-H230 AromaticContact CE1-NE2 3.28Å; H208-H230 PolarHBondContact CE1-NE2 3.08Å; H208-H230 VanDerWaalsContact CE1-NE2 3.28Å; H208-H230 AromaticContact NE2-CE1 3.8Å; H208-H230 AromaticContact NE2-NE2 3.27Å; H208-H230 PolarHBondContact NE2-NE2 2.91Å; H208-H308 AromaticContact CD2-CE1 3.77Å; H208-H308 AromaticContact CD2-NE2 3.99Å; H208-H308 AromaticContact CE1-CE1 3.56Å; H208-H308 AromaticContact CE1-NE2 3.53Å; H208-H308 AromaticContact NE2-CE1 3.03Å; H208-H308 PolarHBondContact NE2-CE1 3.21Å; H208-H308 AromaticContact NE2-NE2 2.93Å; H208-H308 PolarHBondContact NE2-NE2 2.82Å; H208-Y317 HydrophobicContact CB-CE1 4.15Å; H208-Y317 AromaticContact CD2-CE1 3.78Å; H208-Y317 AromaticContact CG-CE1 3.96Å
209W95.5Very high96.4Very high100 Ų10058.7 Ų58.738%0.37929%0.294SS..  trans-71128.8171.1169.866.5000111Y205 G206 P211 P212 L218 H222Y205-W209 WeakPolarHBondContact O-CB 3.39Å; G206-W209 WeakPolarHBondContact O-CB 3.45Å; W209-P211 HydrophobicContact CE3-CB 4.34Å; W209-P211 HydrophobicContact CH2-CB 4.06Å; W209-P211 HydrophobicContact CZ3-CB 3.83Å; W209-P211 WeakPolarHBondContact O-CD 3.17Å; W209-P212 HydrophobicContact CZ2-CG 4.46Å; W209-L218 HydrophobicContact CH2-CB 3.98Å; W209-L218 HydrophobicContact CH2-CD1 4.06Å; W209-L218 HydrophobicContact CH2-CD2 4.17Å; W209-L218 HydrophobicContact CH2-CG 4.28Å; W209-L218 HydrophobicContact CZ3-CB 4.34Å; W209-H222 PolarHBondContact O-CD2 3.17Å; W209-H222 PolarHBondContact O-NE2 3.19Å
210H94.7Very high96.3Very high96 Ų9659.1 Ų59.144%0.44430%0.299SS..  trans-76.1111.1174.9-66.176.2000111.3W121W121-H210 AromaticContact CD1-NE2 3.94Å; W121-H210 AromaticContact CD2-CD2 3.33Å; W121-H210 AromaticContact CD2-NE2 3.24Å; W121-H210 AromaticContact CE2-CD2 3.62Å; W121-H210 AromaticContact CE2-CE1 3.76Å; W121-H210 AromaticContact CE2-NE2 2.96Å; W121-H210 AromaticContact CE3-CD2 3.39Å; W121-H210 AromaticContact CE3-NE2 3.62Å; W121-H210 AromaticContact CG-CD2 3.88Å; W121-H210 AromaticContact CG-NE2 3.88Å; W121-H210 AromaticContact CH2-CD2 3.99Å; W121-H210 AromaticContact CH2-CE1 3.57Å; W121-H210 AromaticContact CH2-NE2 3.52Å; W121-H210 AromaticContact CZ2-CD2 3.96Å; W121-H210 AromaticContact CZ2-CE1 3.43Å; W121-H210 VanDerWaalsContact CZ2-CE1 3.43Å; W121-H210 WeakPolarHBondContact CZ2-CE1 3.46Å; W121-H210 AromaticContact CZ2-NE2 3.14Å; W121-H210 WeakPolarHBondContact CZ2-NE2 3.44Å; W121-H210 AromaticContact CZ3-CD2 3.71Å; W121-H210 AromaticContact CZ3-NE2 3.74Å; W121-H210 AromaticContact NE1-NE2 3.42Å; W121-H210 PolarHBondContact NE1-NE2 2.7Å
211P95.8Very high96.1Very high14 Ų1464.5 Ų64.59%0.09132%0.322CS..  trans-69148.717629.7-35.2000111.3Y120 W209 V213 L218 M219 H222Y120-P211 HydrophobicContact CD1-CG 3.9Å; Y120-P211 HydrophobicContact CE1-CG 3.55Å; W209-P211 HydrophobicContact CE3-CB 4.34Å; W209-P211 HydrophobicContact CH2-CB 4.06Å; W209-P211 HydrophobicContact CZ3-CB 3.83Å; W209-P211 WeakPolarHBondContact O-CD 3.17Å; P211-V213 PolarHBondContact O-N 2.89Å; P211-L218 HydrophobicContact CB-CB 4.24Å; P211-M219 HydrophobicContact CB-CG 4Å; P211-M219 HydrophobicContact CG-CB 4.37Å; P211-M219 HydrophobicContact CG-CG 3.82Å; P211-H222 HydrophobicContact CB-CB 4.36Å; P211-H222 HydrophobicContact CG-CB 4.03Å
212P95.5Very high96Very high49 Ų4960.6 Ų60.632%0.31831%0.305SS..  trans-60.6135.6175.5-2333.2000112.5W209 D214 S215 L218W209-P212 HydrophobicContact CZ2-CG 4.46Å; P212-D214 WeakPolarHBondContact CB-OD1 2.89Å; P212-D214 PolarHBondContact O-N 3.5Å; P212-S215 PolarHBondContact O-N 3.21Å; P212-S215 VanDerWaalsContact O-N 3.09Å; P212-L218 HydrophobicContact CG-CD1 4.07Å
213V94.1Very high96Very high77 Ų7758 Ų5847%0.46729%0.292SS..THydrogen-bonded Turntrans-62.9-26-177.8173.60000112.8K117 D118 P211K117-V213 HydrophobicContact CB-CG1 3.76Å; D118-V213 HydrophobicContact CB-CG1 4.44Å; P211-V213 PolarHBondContact O-N 2.89Å
214D93.9Very high95.8Very high141 Ų14161.9 Ų61.975%0.75431%0.312SS*.THydrogen-bonded Turntrans-88.10179.763.7-25.5000113.6P212 P216P212-D214 WeakPolarHBondContact CB-OD1 2.89Å; P212-D214 PolarHBondContact O-N 3.5Å; D214-P216 VanDerWaalsContact O-CD 3.29Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å
215S95.9Very high95.6Very high29 Ų2961 Ų6120%0.20331%0.312CS..  trans-12086.3-178.3-1700000113P212 K217 L218 M219P212-S215 PolarHBondContact O-N 3.21Å; P212-S215 VanDerWaalsContact O-N 3.09Å; S215-K217 PolarHBondContact O-N 3.11Å; S215-K217 VanDerWaalsContact O-N 3.11Å; S215-L218 PolarHBondContact O-N 3.46Å; S215-L218 WeakPolarHBondContact OG-CD1 3.48Å; S215-L218 VanDerWaalsContact OG-CG 3.27Å; S215-L218 WeakPolarHBondContact OG-CG 3.5Å; S215-M219 PolarHBondContact O-N 2.91Å
216P95Very high95.5Very high69 Ų6955.2 Ų55.245%0.44829%0.29SS..Hα-helixtrans-50.8-36174.1-32.237.7000114.3D214 A220D214-P216 VanDerWaalsContact O-CD 3.29Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-A220 WeakPolarHBondContact O-CB 3.28Å; P216-A220 PolarHBondContact O-N 3.31Å
217K95.7Very high95.5Very high180 Ų18053.7 Ų53.778%0.78327%0.274SS*.Hα-helixtrans-67.7-42.1179.7-66.2-177.8-178.2177.40111.9S215 A220 F221S215-K217 PolarHBondContact O-N 3.11Å; S215-K217 VanDerWaalsContact O-N 3.11Å; K217-A220 PolarHBondContact O-N 3.02Å; K217-F221 WeakPolarHBondContact O-CB 3.46Å; K217-F221 PolarHBondContact O-N 3.42Å
218L96.5Very high95.5Very high66 Ų6653 Ų5335%0.34627%0.271SS..Hα-helixtrans-71.7-34.5178.2-68.1174.1000111.6W209 P211 P212 S215 F221 H222W209-L218 HydrophobicContact CH2-CB 3.98Å; W209-L218 HydrophobicContact CH2-CD1 4.06Å; W209-L218 HydrophobicContact CH2-CD2 4.17Å; W209-L218 HydrophobicContact CH2-CG 4.28Å; W209-L218 HydrophobicContact CZ3-CB 4.34Å; P211-L218 HydrophobicContact CB-CB 4.24Å; P212-L218 HydrophobicContact CG-CD1 4.07Å; S215-L218 PolarHBondContact O-N 3.46Å; S215-L218 WeakPolarHBondContact OG-CD1 3.48Å; S215-L218 VanDerWaalsContact OG-CG 3.27Å; S215-L218 WeakPolarHBondContact OG-CG 3.5Å; L218-F221 PolarHBondContact O-N 2.98Å; L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 2.96Å
219M96.7Very high95.4Very high1 Ų153 Ų531%0.00527%0.271CS..Hα-helixtrans-64.2-45171-69.8169.33800112.1I113 L116 Y120 P211 S215 F221 H222 F223I113-M219 HydrophobicContact CG2-CB 3.72Å; I113-M219 HydrophobicContact CG2-CE 3.83Å; I113-M219 WeakPolarHBondContact O-CE 3.21Å; L116-M219 HydrophobicContact CB-CE 4.42Å; Y120-M219 HydrophobicContact CD1-CG 4.3Å; Y120-M219 HydrophobicContact CD2-CE 4.02Å; Y120-M219 HydrophobicContact CG-CE 3.93Å; Y120-M219 HydrophobicContact CG-CG 4.45Å; Y120-M219 PolarHBondContact OH-O 2.84Å; P211-M219 HydrophobicContact CB-CG 4Å; P211-M219 HydrophobicContact CG-CB 4.37Å; P211-M219 HydrophobicContact CG-CG 3.82Å; S215-M219 PolarHBondContact O-N 2.91Å; M219-F221 VanDerWaalsContact C-N 3.3Å; M219-F221 PolarHBondContact O-N 3.05Å; M219-H222 PolarHBondContact O-N 2.88Å; M219-F223 WeakPolarHBondContact O-CB 3.48Å; M219-F223 PolarHBondContact O-N 3.27Å
220A95.7Very high95.4Very high16 Ų1648.2 Ų48.213%0.13225%0.253CS..Hα-helixtrans-61.9-39.4174.700000111.7V110 P216 K217 F223 I224V110-A220 HydrophobicContact CG1-CB 4.16Å; P216-A220 WeakPolarHBondContact O-CB 3.28Å; P216-A220 PolarHBondContact O-N 3.31Å; K217-A220 PolarHBondContact O-N 3.02Å; A220-F223 WeakPolarHBondContact O-CB 3.23Å; A220-F223 PolarHBondContact O-N 3.37Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 3.04Å
221F95.1Very high95.4Very high113 Ų11343.7 Ų43.750%0.49623%0.232SC..Hα-helixtrans-62.4-51.1175.2177.9-109.2000112.2K217 L218 M219 F223 I224 L225K217-F221 WeakPolarHBondContact O-CB 3.46Å; K217-F221 PolarHBondContact O-N 3.42Å; L218-F221 PolarHBondContact O-N 2.98Å; M219-F221 VanDerWaalsContact C-N 3.3Å; M219-F221 PolarHBondContact O-N 3.05Å; F221-F223 VanDerWaalsContact C-N 3.27Å; F221-F223 PolarHBondContact O-N 2.76Å; F221-I224 PolarHBondContact O-N 3.09Å; F221-L225 HydrophobicContact CD1-CD1 3.83Å; F221-L225 HydrophobicContact CD1-CG 4.43Å; F221-L225 HydrophobicContact CD2-CG 4.38Å; F221-L225 HydrophobicContact CE1-CD1 3.25Å; F221-L225 HydrophobicContact CE1-CG 4.12Å; F221-L225 HydrophobicContact CE2-CD1 4.01Å; F221-L225 HydrophobicContact CE2-CD2 4.26Å; F221-L225 HydrophobicContact CE2-CG 4.06Å; F221-L225 HydrophobicContact CG-CD1 4.43Å; F221-L225 HydrophobicContact CZ-CD1 3.37Å; F221-L225 HydrophobicContact CZ-CD2 4.24Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.02Å
222H96.7Very high95.2Very high4 Ų443 Ų432%0.01923%0.228CC..Hα-helixtrans-58.1-40.8174.6172.8-88.6000111.8Y120 W121 F207 W209 P211 L218 M219 I224 L225 H226 G227Y120-H222 AromaticContact CE1-ND1 3.44Å; Y120-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y120-H222 AromaticContact CZ-ND1 3.51Å; Y120-H222 PolarHBondContact OH-ND1 2.7Å; W121-H222 AromaticContact CZ3-CE1 3.91Å; W121-H222 AromaticContact CZ3-NE2 3.82Å; F207-H222 PolarHBondContact O-NE2 3.48Å; W209-H222 PolarHBondContact O-CD2 3.17Å; W209-H222 PolarHBondContact O-NE2 3.19Å; P211-H222 HydrophobicContact CB-CB 4.36Å; P211-H222 HydrophobicContact CG-CB 4.03Å; L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 2.96Å; M219-H222 PolarHBondContact O-N 2.88Å; H222-I224 PolarHBondContact O-N 3.22Å; H222-L225 PolarHBondContact O-N 3.1Å; H222-H226 PolarHBondContact O-N 3.21Å; H222-H226 VanDerWaalsContact O-N 3.13Å; H222-G227 PolarHBondContact O-N 3.13Å
223F96.2Very high95Very high0 Ų040.8 Ų40.80%021%0.213CC..Iπ-helixtrans-59.1-48176.9-179.9-108.6000110.9V109 V110 I113 Y120 W123 I124 L132 L134 M219 A220 F221 G227 L228 K231V109-F223 HydrophobicContact CB-CE1 4.5Å; V109-F223 HydrophobicContact CB-CZ 4.48Å; V109-F223 HydrophobicContact CG1-CE1 3.92Å; V109-F223 HydrophobicContact CG1-CE2 4.41Å; V109-F223 HydrophobicContact CG1-CZ 3.67Å; V110-F223 HydrophobicContact CG2-CD1 4.19Å; V110-F223 HydrophobicContact CG2-CE1 4.18Å; I113-F223 HydrophobicContact CD1-CD1 4.22Å; I113-F223 HydrophobicContact CD1-CD2 3.85Å; I113-F223 HydrophobicContact CD1-CE1 4.37Å; I113-F223 HydrophobicContact CD1-CE2 4.09Å; I113-F223 HydrophobicContact CD1-CG 3.96Å; I113-F223 HydrophobicContact CD1-CZ 4.33Å; I113-F223 HydrophobicContact CG1-CB 4.29Å; I113-F223 HydrophobicContact CG1-CD1 3.99Å; I113-F223 HydrophobicContact CG1-CD2 4.4Å; I113-F223 HydrophobicContact CG1-CE1 4.41Å; I113-F223 HydrophobicContact CG1-CG 3.98Å; Y120-F223 HydrophobicContact CE2-CB 4.26Å; Y120-F223 VanDerWaalsContact OH-CA 3.23Å; Y120-F223 WeakPolarHBondContact OH-CA 3.35Å; Y120-F223 WeakPolarHBondContact OH-CB 3.33Å; Y120-F223 PolarHBondContact OH-N 3.39Å; W123-F223 AromaticContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CZ 4.36Å; W123-F223 HydrophobicContact CZ3-CD2 4.1Å; W123-F223 AromaticContact CZ3-CE2 3.72Å; W123-F223 HydrophobicContact CZ3-CE2 3.72Å; I124-F223 HydrophobicContact CD1-CD2 3.89Å; I124-F223 HydrophobicContact CG1-CD2 4.31Å; L132-F223 HydrophobicContact CD1-CZ 4.41Å; L134-F223 HydrophobicContact CD2-CE1 3.82Å; L134-F223 HydrophobicContact CD2-CZ 4.26Å; M219-F223 WeakPolarHBondContact O-CB 3.48Å; M219-F223 PolarHBondContact O-N 3.27Å; A220-F223 WeakPolarHBondContact O-CB 3.23Å; A220-F223 PolarHBondContact O-N 3.37Å; F221-F223 VanDerWaalsContact C-N 3.27Å; F221-F223 PolarHBondContact O-N 2.76Å; F223-G227 CarbonylContact O-C 3.59Å; F223-G227 PolarHBondContact O-N 3.29Å; F223-L228 HydrophobicContact CE1-CB 4.43Å; F223-L228 HydrophobicContact CE1-CD1 4.35Å; F223-L228 HydrophobicContact CE2-CB 4.24Å; F223-L228 HydrophobicContact CE2-CD1 4.4Å; F223-L228 HydrophobicContact CZ-CB 4.18Å; F223-L228 HydrophobicContact CZ-CD1 3.81Å; F223-L228 WeakPolarHBondContact O-CB 3.43Å; F223-L228 PolarHBondContact O-N 3.47Å; F223-K231 HydrophobicContact CE2-CB 4.41Å
224I93.9Very high94.8Very high84 Ų8437.8 Ų37.843%0.43119%0.194SC..Iπ-helixtrans-68.1-36179.4-67.9166000111.9V110 F135 A220 F221 H222V110-I224 HydrophobicContact CG1-CD1 4.29Å; V110-I224 HydrophobicContact CG2-CD1 4.38Å; V110-I224 HydrophobicContact CG2-CG1 4.36Å; F135-I224 HydrophobicContact CZ-CD1 4.13Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 3.04Å; F221-I224 PolarHBondContact O-N 3.09Å; H222-I224 PolarHBondContact O-N 3.22Å
225L93.8Very high94.7Very high45 Ų4531.7 Ų31.724%0.23616%0.162CC..Iπ-helixtrans-68.7-49.4-176.8-80.2-174.8000113.9F221 H222 F241F221-L225 HydrophobicContact CD1-CD1 3.83Å; F221-L225 HydrophobicContact CD1-CG 4.43Å; F221-L225 HydrophobicContact CD2-CG 4.38Å; F221-L225 HydrophobicContact CE1-CD1 3.25Å; F221-L225 HydrophobicContact CE1-CG 4.12Å; F221-L225 HydrophobicContact CE2-CD1 4.01Å; F221-L225 HydrophobicContact CE2-CD2 4.26Å; F221-L225 HydrophobicContact CE2-CG 4.06Å; F221-L225 HydrophobicContact CG-CD1 4.43Å; F221-L225 HydrophobicContact CZ-CD1 3.37Å; F221-L225 HydrophobicContact CZ-CD2 4.24Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.02Å; H222-L225 PolarHBondContact O-N 3.1Å; L225-F241 HydrophobicContact CD2-CE2 4.07Å; L225-F241 HydrophobicContact CD2-CZ 4.12Å
226H95.8Very high94.5Very high8 Ų835.1 Ų35.14%0.03717%0.173CC..Iπ-helixtrans-149-27-174.9-169.267.3000113.4H203 F207 H208 H222 L228 H229 H230H203-H226 AromaticContact CD2-CE1 3.92Å; H203-H226 AromaticContact CD2-NE2 3.59Å; H203-H226 AromaticContact NE2-CE1 3.66Å; H203-H226 AromaticContact NE2-NE2 3.25Å; H203-H226 PolarHBondContact NE2-NE2 2.77Å; F207-H226 HydrophobicContact CB-CB 3.58Å; F207-H226 VanDerWaalsContact CB-CG 3.47Å; F207-H226 HydrophobicContact CD1-CB 4.08Å; F207-H226 HydrophobicContact CD2-CB 4.23Å; F207-H226 AromaticContact CD2-CE1 3.87Å; F207-H226 AromaticContact CD2-CG 3.84Å; F207-H226 AromaticContact CD2-ND1 3.5Å; F207-H226 WeakPolarHBondContact CD2-ND1 3.26Å; F207-H226 HydrophobicContact CG-CB 3.72Å; F207-H226 AromaticContact CG-CG 3.73Å; F207-H226 AromaticContact CG-ND1 3.89Å; H208-H226 AromaticContact NE2-CD2 3.82Å; H208-H226 AromaticContact NE2-NE2 3.53Å; H222-H226 PolarHBondContact O-N 3.21Å; H222-H226 VanDerWaalsContact O-N 3.13Å; H226-L228 VanDerWaalsContact C-N 3.3Å; H226-L228 PolarHBondContact O-N 2.77Å; H226-H229 AromaticContact CE1-CD2 3.89Å; H226-H229 WeakPolarHBondContact O-CB 3.49Å; H226-H229 PolarHBondContact O-N 2.96Å; H226-H230 AromaticContact CD2-CD2 3.27Å; H226-H230 PolarHBondContact CD2-CD2 3.01Å; H226-H230 AromaticContact CD2-NE2 3.43Å; H226-H230 PolarHBondContact CD2-NE2 2.85Å; H226-H230 AromaticContact CE1-NE2 3.91Å; H226-H230 AromaticContact NE2-CD2 3.19Å; H226-H230 PolarHBondContact NE2-CD2 3.05Å; H226-H230 AromaticContact NE2-NE2 2.91Å; H226-H230 PolarHBondContact NE2-NE2 3.36Å; H226-H230 PolarHBondContact O-N 2.76Å
227G95.9Very high94.5Very high1 Ų132.9 Ų32.91%0.0116%0.157CC..Iπ-helixtrans-61.9-34.5-176.900000114.9I124 H222 F223 H229 H230 K231I124-G227 WeakPolarHBondContact CG1-O 3.39Å; H222-G227 PolarHBondContact O-N 3.13Å; F223-G227 CarbonylContact O-C 3.59Å; F223-G227 PolarHBondContact O-N 3.29Å; G227-H229 VanDerWaalsContact C-N 3.27Å; G227-H229 PolarHBondContact O-N 3.36Å; G227-H230 PolarHBondContact O-N 2.97Å; G227-K231 PolarHBondContact O-N 3.45Å
228L95.6Very high94.4Very high11 Ų1125.1 Ų25.16%0.05812%0.123CC..Hα-helixtrans-59.6-39.8172.1172.860.7000111.3L134 F223 H226 K231 T232 R238L134-L228 HydrophobicContact CD1-CD2 3.54Å; L134-L228 HydrophobicContact CD2-CD1 3.81Å; L134-L228 HydrophobicContact CD2-CD2 3.94Å; L134-L228 HydrophobicContact CG-CD2 4.34Å; F223-L228 HydrophobicContact CE1-CB 4.43Å; F223-L228 HydrophobicContact CE1-CD1 4.35Å; F223-L228 HydrophobicContact CE2-CB 4.24Å; F223-L228 HydrophobicContact CE2-CD1 4.4Å; F223-L228 HydrophobicContact CZ-CB 4.18Å; F223-L228 HydrophobicContact CZ-CD1 3.81Å; F223-L228 WeakPolarHBondContact O-CB 3.43Å; F223-L228 PolarHBondContact O-N 3.47Å; H226-L228 VanDerWaalsContact C-N 3.3Å; H226-L228 PolarHBondContact O-N 2.77Å; L228-K231 PolarHBondContact O-N 3.2Å; L228-T232 HydrophobicContact CD1-CG2 4.46Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 2.89Å; L228-R238 HydrophobicContact CD2-CB 3.98Å; L228-R238 HydrophobicContact CD2-CG 3.88Å; L228-R238 HydrophobicContact CG-CB 4.37Å
229H95.7Very high94.4Very high8 Ų822.7 Ų22.74%0.03711%0.11CC..Hα-helixtrans-65.8-40.6177.6176.654.5000111.8H226 G227 K231 T232 P233 H284 H288 H309H226-H229 AromaticContact CE1-CD2 3.89Å; H226-H229 WeakPolarHBondContact O-CB 3.49Å; H226-H229 PolarHBondContact O-N 2.96Å; G227-H229 VanDerWaalsContact C-N 3.27Å; G227-H229 PolarHBondContact O-N 3.36Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.37Å; H229-T232 CarbonylContact O-C 3.57Å; H229-P233 WeakPolarHBondContact O-CA 3.28Å; H229-P233 WeakPolarHBondContact O-CB 3.34Å; H229-P233 WeakPolarHBondContact O-CD 3.42Å; H229-H284 AromaticContact CD2-CE1 3.68Å; H229-H284 AromaticContact CD2-NE2 3.79Å; H229-H284 AromaticContact CE1-NE2 3.75Å; H229-H284 AromaticContact NE2-CE1 3.34Å; H229-H284 PolarHBondContact NE2-CE1 3Å; H229-H284 VanDerWaalsContact NE2-CE1 3.34Å; H229-H284 AromaticContact NE2-NE2 3.02Å; H229-H284 PolarHBondContact NE2-NE2 3.24Å; H229-H288 AromaticContact CE1-CD2 3.68Å; H229-H288 AromaticContact CE1-CE1 3.62Å; H229-H288 AromaticContact CE1-NE2 3.25Å; H229-H288 PolarHBondContact CE1-NE2 3.36Å; H229-H288 VanDerWaalsContact CE1-NE2 3.25Å; H229-H288 AromaticContact NE2-CD2 3.94Å; H229-H288 AromaticContact NE2-CE1 3.79Å; H229-H288 AromaticContact NE2-NE2 3.21Å; H229-H288 PolarHBondContact NE2-NE2 2.93Å; H229-H309 AromaticContact CD2-CE1 3.39Å; H229-H309 PolarHBondContact CD2-CE1 3.34Å; H229-H309 AromaticContact CD2-NE2 3.72Å; H229-H309 AromaticContact CE1-CE1 3.86Å; H229-H309 AromaticContact CE1-NE2 3.98Å; H229-H309 AromaticContact NE2-CE1 3.11Å; H229-H309 PolarHBondContact NE2-CE1 3.27Å; H229-H309 AromaticContact NE2-NE2 3.08Å; H229-H309 PolarHBondContact NE2-NE2 3.39Å
230H95.4Very high94.3Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-64.8-36.5171.5-85.4-88.9000113.1I124 H125 H208 H226 G227 H308 H309I124-H230 CarbonylContact O-C 3.55Å; H125-H230 AromaticContact CD2-CG 3.74Å; H125-H230 AromaticContact CD2-ND1 3.44Å; H125-H230 PolarHBondContact CD2-ND1 3.42Å; H125-H230 AromaticContact NE2-ND1 3.99Å; H208-H230 AromaticContact CE1-CE1 3.52Å; H208-H230 AromaticContact CE1-NE2 3.28Å; H208-H230 PolarHBondContact CE1-NE2 3.08Å; H208-H230 VanDerWaalsContact CE1-NE2 3.28Å; H208-H230 AromaticContact NE2-CE1 3.8Å; H208-H230 AromaticContact NE2-NE2 3.27Å; H208-H230 PolarHBondContact NE2-NE2 2.91Å; H226-H230 AromaticContact CD2-CD2 3.27Å; H226-H230 PolarHBondContact CD2-CD2 3.01Å; H226-H230 AromaticContact CD2-NE2 3.43Å; H226-H230 PolarHBondContact CD2-NE2 2.85Å; H226-H230 AromaticContact CE1-NE2 3.91Å; H226-H230 AromaticContact NE2-CD2 3.19Å; H226-H230 PolarHBondContact NE2-CD2 3.05Å; H226-H230 AromaticContact NE2-NE2 2.91Å; H226-H230 PolarHBondContact NE2-NE2 3.36Å; H226-H230 PolarHBondContact O-N 2.76Å; G227-H230 PolarHBondContact O-N 2.97Å; H230-H308 AromaticContact CE1-CD2 3.49Å; H230-H308 PolarHBondContact CE1-CD2 2.78Å; H230-H308 VanDerWaalsContact CE1-CD2 3.49Å; H230-H308 AromaticContact CE1-NE2 3.16Å; H230-H308 PolarHBondContact CE1-NE2 3.23Å; H230-H308 AromaticContact NE2-CD2 3.91Å; H230-H308 AromaticContact NE2-NE2 3.28Å; H230-H308 PolarHBondContact NE2-NE2 3.39Å; H230-H309 AromaticContact CE1-CE1 3.85Å; H230-H309 AromaticContact CE1-ND1 3.76Å; H230-H309 AromaticContact ND1-CE1 3.95Å; H230-H309 AromaticContact ND1-ND1 3.56Å; H230-H309 AromaticContact NE2-CE1 3.98Å
231K94Very high94.3Very high2 Ų223.6 Ų23.61%0.00911%0.111CC..Hα-helixtrans-72.6-39.6179.7-17458.6179.3178.90112D100 W123 I124 E126 P127 V128 L132 F223 G227 L228 H229D100-K231 IonicContact OD1-NZ 3.86Å; W123-K231 HydrophobicContact CH2-CD 4.25Å; W123-K231 HydrophobicContact CH2-CG 4Å; W123-K231 HydrophobicContact CZ2-CD 4.24Å; W123-K231 HydrophobicContact CZ2-CG 4.37Å; W123-K231 HydrophobicContact CZ3-CD 4.45Å; W123-K231 HydrophobicContact CZ3-CG 4.32Å; W123-K231 PolarHBondContact O-NZ 3.14Å; W123-K231 VanDerWaalsContact O-NZ 3.15Å; I124-K231 HydrophobicContact CG1-CB 4.37Å; I124-K231 WeakPolarHBondContact O-CA 3.35Å; I124-K231 PolarHBondContact O-N 3.49Å; E126-K231 WeakPolarHBondContact O-CD 3.17Å; E126-K231 PolarHBondContact O-NZ 3.46Å; P127-K231 CarbonylContact C-O 3.37Å; P127-K231 WeakPolarHBondContact CA-O 3.33Å; V128-K231 WeakPolarHBondContact CG2-O 3.39Å; V128-K231 PolarHBondContact N-O 3.47Å; L132-K231 HydrophobicContact CD1-CG 3.79Å; F223-K231 HydrophobicContact CE2-CB 4.41Å; G227-K231 PolarHBondContact O-N 3.45Å; L228-K231 PolarHBondContact O-N 3.2Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.37Å
232T91.7Very high94.3Very high0 Ų020 Ų200%010%0.1CC..  trans-129.965.2-177.663.70000111.1V128 D130 L132 L228 H229 M234 D235V128-T232 HydrophobicContact CG2-CG2 3.89Å; D130-T232 WeakPolarHBondContact O-CG2 3.4Å; L132-T232 HydrophobicContact CB-CG2 4.49Å; L132-T232 HydrophobicContact CD1-CG2 3.72Å; L132-T232 HydrophobicContact CG-CG2 3.69Å; L228-T232 HydrophobicContact CD1-CG2 4.46Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 2.89Å; H229-T232 CarbonylContact O-C 3.57Å; T232-M234 PolarHBondContact O-N 2.89Å; T232-M234 VanDerWaalsContact O-N 3.07Å; T232-D235 PolarHBondContact O-N 2.95Å
233P92.3Very high94.2Very high2 Ų220.8 Ų20.81%0.01311%0.105CC..THydrogen-bonded Turntrans-63.4-21.8-171.723.6-33.4000113.4P127 H229 F310P127-P233 HydrophobicContact CB-CG 3.96Å; H229-P233 WeakPolarHBondContact O-CA 3.28Å; H229-P233 WeakPolarHBondContact O-CB 3.34Å; H229-P233 WeakPolarHBondContact O-CD 3.42Å; P233-F310 HydrophobicContact CB-CZ 4.44Å; P233-F310 HydrophobicContact CG-CE1 4.17Å; P233-F310 HydrophobicContact CG-CZ 3.72Å
234M88.7Confident94Very high14 Ų1424.5 Ų24.57%0.06914%0.136CC..THydrogen-bonded Turntrans-92.12.2-179.8-53.2-54.9173.800113.9L37 T232 K236 Y306 F310L37-M234 HydrophobicContact CB-CE 4.19Å; L37-M234 HydrophobicContact CB-CG 4.35Å; L37-M234 HydrophobicContact CB-SD 3.91Å; L37-M234 HydrophobicContact CD1-CB 4Å; L37-M234 HydrophobicContact CD1-CG 3.99Å; L37-M234 HydrophobicContact CD1-SD 4.46Å; L37-M234 HydrophobicContact CD2-CB 4.24Å; L37-M234 HydrophobicContact CD2-CG 4.27Å; L37-M234 HydrophobicContact CD2-SD 3.8Å; L37-M234 HydrophobicContact CG-CG 4.42Å; L37-M234 HydrophobicContact CG-SD 4.25Å; L37-M234 WeakPolarHBondContact O-CE 3.36Å; T232-M234 PolarHBondContact O-N 2.89Å; T232-M234 VanDerWaalsContact O-N 3.07Å; M234-K236 PolarHBondContact O-N 3.2Å; M234-K236 VanDerWaalsContact O-N 3.14Å; M234-Y306 HydrophobicContact CE-CE1 3.7Å; M234-Y306 WeakPolarHBondContact CE-OH 3.37Å; M234-F310 HydrophobicContact CE-CE2 4.26Å; M234-F310 HydrophobicContact CE-CZ 3.88Å
235D92.2Very high93.9Very high12 Ų1223.7 Ų23.76%0.06414%0.135CC..  trans-76.399.9173.9-169.1-21.8000110.2S131 R145 T232 D237 R238S131-D235 VanDerWaalsContact CB-OD2 3.23Å; S131-D235 WeakPolarHBondContact CB-OD2 3.49Å; S131-D235 PolarHBondContact OG-OD2 3.22Å; R145-D235 IonicContact NH1-OD1 3.78Å; T232-D235 PolarHBondContact O-N 2.95Å; D235-D237 PolarHBondContact O-N 3.47Å; D235-D237 PolarHBondContact OD1-N 2.9Å; D235-D237 VanDerWaalsContact OD1-N 3.1Å; D235-R238 HydrophobicContact CB-CB 4.38Å; D235-R238 PolarHBondContact O-N 2.88Å; D235-R238 VanDerWaalsContact O-N 3.08Å; D235-R238 WeakPolarHBondContact OD2-CD 3.49Å; D235-R238 IonicContact OD2-CZ 2.92Å; D235-R238 IonicContact OD2-NE 2.89Å; D235-R238 IonicContact OD2-NH1 2.75Å; D235-R238 PolarHBondContact OD2-NH1 3.17Å
236K92.5Very high94Very high101 Ų10121.8 Ų21.844%0.43913%0.125SC..THydrogen-bonded Turntrans-54.9-21.2-178.9-74.7178.2-176.8-178.10114.6M234 Y285 H289M234-K236 PolarHBondContact O-N 3.2Å; M234-K236 VanDerWaalsContact O-N 3.14Å; K236-Y285 WeakPolarHBondContact O-CE2 3.36Å; K236-H289 WeakPolarHBondContact CG-CD2 3.45Å; K236-H289 VanDerWaalsContact CG-NE2 3.28Å; K236-H289 WeakPolarHBondContact CG-NE2 3.47Å
237D93.7Very high94Very high23 Ų2323.4 Ų23.412%0.12314%0.138CC..THydrogen-bonded Turntrans-100.4-3.7-176-67-14.4000113R145 T146 K147 D235R145-D237 CarbonylContact C-O 3.52Å; R145-D237 WeakPolarHBondContact CA-O 3.45Å; R145-D237 HydrophobicContact CB-CB 3.84Å; R145-D237 HydrophobicContact CG-CB 3.91Å; R145-D237 IonicContact NH1-OD2 3.94Å; T146-D237 PolarHBondContact N-O 3.16Å; T146-D237 CarbonylContact O-C 3.41Å; K147-D237 VanDerWaalsContact CD-OD1 3.28Å; K147-D237 WeakPolarHBondContact CD-OD1 3.46Å; K147-D237 WeakPolarHBondContact CE-OD1 3.19Å; K147-D237 IonicContact NZ-OD1 2.65Å; K147-D237 PolarHBondContact NZ-OD1 3.23Å; K147-D237 IonicContact NZ-OD2 3.97Å; K147-D237 PolarHBondContact NZ-OD2 3.24Å; D235-D237 PolarHBondContact O-N 3.47Å; D235-D237 PolarHBondContact OD1-N 2.9Å; D235-D237 VanDerWaalsContact OD1-N 3.1Å
238R94.2Very high94Very high17 Ų1729.3 Ų29.36%0.06417%0.168CC..SBendtrans-132.838.8-174.8-77.9148.9174.9167-3.5113S131 L132 E141 S144 R145 L228 D235S131-R238 PolarHBondContact OG-NH1 2.93Å; S131-R238 VanDerWaalsContact OG-NH1 3.08Å; L132-R238 PolarHBondContact O-NH1 3.23Å; L132-R238 PolarHBondContact O-NH2 3.47Å; E141-R238 VanDerWaalsContact CD-NH2 3.29Å; E141-R238 IonicContact OE1-CZ 3.78Å; E141-R238 IonicContact OE1-NH2 3.85Å; E141-R238 PolarHBondContact OE1-NH2 2.93Å; E141-R238 IonicContact OE2-NH2 3.62Å; S144-R238 WeakPolarHBondContact O-CG 3.17Å; S144-R238 PolarHBondContact OG-NE 3.46Å; S144-R238 PolarHBondContact OG-NH2 2.89Å; S144-R238 VanDerWaalsContact OG-NH2 3.07Å; R145-R238 VanDerWaalsContact NH2-NH1 3.15Å; L228-R238 HydrophobicContact CD2-CB 3.98Å; L228-R238 HydrophobicContact CD2-CG 3.88Å; L228-R238 HydrophobicContact CG-CB 4.37Å; D235-R238 HydrophobicContact CB-CB 4.38Å; D235-R238 PolarHBondContact O-N 2.88Å; D235-R238 VanDerWaalsContact O-N 3.08Å; D235-R238 WeakPolarHBondContact OD2-CD 3.49Å; D235-R238 IonicContact OD2-CZ 2.92Å; D235-R238 IonicContact OD2-NE 2.89Å; D235-R238 IonicContact OD2-NH1 2.75Å; D235-R238 PolarHBondContact OD2-NH1 3.17Å
239L95.8Very high94Very high14 Ų1432.7 Ų32.77%0.07319%0.186CC..SBendtrans-109.5-56.6175.1-175.2163000110.8H284 Y285 H288 H289L239-H284 HydrophobicContact CD2-CB 4.18Å; L239-Y285 HydrophobicContact CB-CD2 4.37Å; L239-Y285 HydrophobicContact CD1-CD2 4.17Å; L239-Y285 HydrophobicContact CD2-CD2 4.16Å; L239-Y285 HydrophobicContact CG-CD2 4.49Å; L239-H288 HydrophobicContact CD1-CB 3.62Å; L239-H289 VanDerWaalsContact CD1-CE1 3.45Å; L239-H289 WeakPolarHBondContact CD1-CE1 3.48Å
240V96.5Very high94.1Very high4 Ų434 Ų342%0.02419%0.194CC..SBendtrans-71.1146.5-176.8-64.70000111.2T146 W148 V151 P242 D281 M282 Y285T146-V240 HydrophobicContact CG2-CG2 3.64Å; T146-V240 WeakPolarHBondContact O-CG2 3.48Å; W148-V240 HydrophobicContact CB-CG1 4.48Å; V151-V240 HydrophobicContact CG2-CB 3.8Å; V151-V240 HydrophobicContact CG2-CG1 4.3Å; V151-V240 HydrophobicContact CG2-CG2 4.13Å; V240-P242 WeakPolarHBondContact O-CD 3.41Å; V240-D281 WeakPolarHBondContact CA-OD1 3.46Å; V240-M282 HydrophobicContact CG1-CE 4.18Å; V240-Y285 HydrophobicContact CG1-CD2 4.02Å; V240-Y285 HydrophobicContact CG1-CG 4.39Å
241F94.4Very high94.2Very high32 Ų3237.7 Ų37.714%0.1422%0.216CC..PPolyproline II helixtrans-74.3124.8-176.1-157.4-104.7000110.2L225 P243 V245 A246 I249 Y277 D281L225-F241 HydrophobicContact CD2-CE2 4.07Å; L225-F241 HydrophobicContact CD2-CZ 4.12Å; F241-P243 WeakPolarHBondContact O-CD 3.44Å; F241-V245 HydrophobicContact CE1-CB 3.9Å; F241-V245 HydrophobicContact CE1-CG1 3.66Å; F241-V245 HydrophobicContact CZ-CB 4.27Å; F241-V245 HydrophobicContact CZ-CG1 3.65Å; F241-A246 HydrophobicContact CD1-CB 3.58Å; F241-A246 HydrophobicContact CE1-CB 4.09Å; F241-I249 HydrophobicContact CE1-CD1 4.3Å; F241-Y277 PolarHBondContact O-OH 2.86Å; F241-D281 PolarHBondContact N-OD2 3.09Å
242P94.7Very high94.3Very high39 Ų3942.4 Ų42.425%0.25324%0.241SC..PPolyproline II helixtrans-58.4124.7-175.3-25.834.1000111.9V240 A244 V245 A246V240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-A244 PolarHBondContact O-N 3.17Å; P242-A244 VanDerWaalsContact O-N 3.09Å; P242-V245 HydrophobicContact CB-CG2 4.26Å; P242-V245 PolarHBondContact O-N 3.38Å; P242-A246 PolarHBondContact O-N 3.23Å
243P95.3Very high94.6Very high19 Ų1943.8 Ų43.812%0.12325%0.249CC..Hα-helixtrans-54.9-34.4-175.7-30.534.7000114.5A150 V154 W155 F241 V245 A246 S247A150-P243 HydrophobicContact CB-CG 4.32Å; V154-P243 HydrophobicContact CB-CB 4.24Å; V154-P243 HydrophobicContact CB-CG 4.46Å; V154-P243 HydrophobicContact CG1-CB 4.11Å; V154-P243 HydrophobicContact CG2-CB 4.1Å; V154-P243 HydrophobicContact CG2-CG 4.2Å; W155-P243 HydrophobicContact CZ2-CB 4.02Å; W155-P243 WeakPolarHBondContact CZ2-O 3.31Å; F241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-V245 PolarHBondContact O-N 3.45Å; P243-A246 PolarHBondContact O-N 3.44Å; P243-S247 WeakPolarHBondContact O-CB 3.42Å; P243-S247 PolarHBondContact O-N 3.02Å
244A92.5Very high94.9Very high79 Ų7946.2 Ų46.265%0.65326%0.259SS*.Hα-helixtrans-60.5-43.9176.300000112.1P242 S247P242-A244 PolarHBondContact O-N 3.17Å; P242-A244 VanDerWaalsContact O-N 3.09Å; A244-S247 PolarHBondContact O-OG 2.87Å
245V92Very high95.3Very high66 Ų6652.7 Ų52.740%0.428%0.283SS..Hα-helixtrans-73.9-42.1177.4-174.20000110.3F241 P242 P243 S247 L248F241-V245 HydrophobicContact CE1-CB 3.9Å; F241-V245 HydrophobicContact CE1-CG1 3.66Å; F241-V245 HydrophobicContact CZ-CB 4.27Å; F241-V245 HydrophobicContact CZ-CG1 3.65Å; P242-V245 HydrophobicContact CB-CG2 4.26Å; P242-V245 PolarHBondContact O-N 3.38Å; P243-V245 PolarHBondContact O-N 3.45Å; V245-S247 PolarHBondContact O-N 3Å; V245-L248 PolarHBondContact O-N 3.25Å
246A95.4Very high95.6Very high5 Ų556.7 Ų56.74%0.04130%0.303CS..Hα-helixtrans-57.2-36.1176.300000111.9W155 F241 P242 P243 L248 I249 V250W155-A246 HydrophobicContact CZ2-CB 3.85Å; F241-A246 HydrophobicContact CD1-CB 3.58Å; F241-A246 HydrophobicContact CE1-CB 4.09Å; P242-A246 PolarHBondContact O-N 3.23Å; P243-A246 PolarHBondContact O-N 3.44Å; A246-L248 PolarHBondContact O-N 3.29Å; A246-I249 PolarHBondContact O-N 3.03Å; A246-V250 WeakPolarHBondContact O-CG2 3.45Å; A246-V250 PolarHBondContact O-N 2.86Å
247S96.3Very high95.9Very high42 Ų4253 Ų5329%0.29429%0.287SS..Hα-helixtrans-57.3-33-179.177.60000113.7P243 A244 V245 I249 V250 V251P243-S247 WeakPolarHBondContact O-CB 3.42Å; P243-S247 PolarHBondContact O-N 3.02Å; A244-S247 PolarHBondContact O-OG 2.87Å; V245-S247 PolarHBondContact O-N 3Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.23Å; S247-V250 PolarHBondContact O-N 3.46Å; S247-V251 VanDerWaalsContact O-CB 3.26Å; S247-V251 WeakPolarHBondContact O-CB 3.37Å; S247-V251 WeakPolarHBondContact O-CG2 3.46Å; S247-V251 PolarHBondContact O-N 3.37Å
248L95.5Very high96.1Very high126 Ų12656.4 Ų56.466%0.6630%0.301SS*.Hα-helixtrans-62.8-42.4176.4-59.7177.1000111V245 A246 L252V245-L248 PolarHBondContact O-N 3.25Å; A246-L248 PolarHBondContact O-N 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 PolarHBondContact O-N 3.3Å; L248-L252 VanDerWaalsContact O-N 3.16Å
249I94.8Very high96.2Very high81 Ų8160.4 Ų60.442%0.41533%0.331SS..Hα-helixtrans-72.9-46.5178.5-56.7176.1000109.9F241 A246 S247 V251 L252 L253F241-I249 HydrophobicContact CE1-CD1 4.3Å; A246-I249 PolarHBondContact O-N 3.03Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.23Å; I249-V251 PolarHBondContact O-N 2.99Å; I249-L252 PolarHBondContact O-N 3.37Å; I249-L253 HydrophobicContact CG2-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 2.97Å
250V97.4Very high96.3Very high35 Ų3563.8 Ų63.821%0.21236%0.356CS..Hα-helixtrans-60.3-44.6180173.60000111.3W155 A246 S247 L253 F254 L274W155-V250 HydrophobicContact CH2-CB 4.27Å; W155-V250 HydrophobicContact CH2-CG1 4.48Å; W155-V250 HydrophobicContact CH2-CG2 4.07Å; W155-V250 HydrophobicContact CZ2-CG2 4.44Å; W155-V250 HydrophobicContact CZ3-CB 4.28Å; W155-V250 HydrophobicContact CZ3-CG1 4Å; W155-V250 HydrophobicContact CZ3-CG2 4.2Å; A246-V250 WeakPolarHBondContact O-CG2 3.45Å; A246-V250 PolarHBondContact O-N 2.86Å; S247-V250 PolarHBondContact O-N 3.46Å; V250-L253 PolarHBondContact O-N 3.17Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 3.44Å; V250-L274 HydrophobicContact CG1-CD1 4.23Å; V250-L274 HydrophobicContact CG2-CD1 3.97Å
251V97.6Very high96.3Very high78 Ų7866.1 Ų66.147%0.47337%0.368SS..Hα-helixtrans-63-47.5176.6169.20000110.3S247 I249 L253 F254 W255S247-V251 VanDerWaalsContact O-CB 3.26Å; S247-V251 WeakPolarHBondContact O-CB 3.37Å; S247-V251 WeakPolarHBondContact O-CG2 3.46Å; S247-V251 PolarHBondContact O-N 3.37Å; I249-V251 PolarHBondContact O-N 2.99Å; V251-L253 PolarHBondContact O-N 2.77Å; V251-F254 PolarHBondContact O-N 3.46Å; V251-W255 PolarHBondContact O-N 3.07Å
252L97.4Very high96.4Very high102 Ų10268.9 Ų68.953%0.53439%0.388SS..Hα-helixtrans-56.1-48.8176.8175.463.1000111.8L248 I249 F254 W255 L256L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 PolarHBondContact O-N 3.3Å; L248-L252 VanDerWaalsContact O-N 3.16Å; I249-L252 PolarHBondContact O-N 3.37Å; L252-F254 PolarHBondContact O-N 3.06Å; L252-W255 PolarHBondContact O-N 3.25Å; L252-L256 HydrophobicContact CG-CD1 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.97Å
253L97.5Very high96.5Very high29 Ų2973 Ų7315%0.15240%0.399CS..Hα-helixtrans-62-44.1178.5-68.5170.8000111.8M198 I249 V250 V251 W255 L256 Y257M198-L253 HydrophobicContact CE-CD1 3.46Å; M198-L253 VanDerWaalsContact CE-CD1 3.46Å; M198-L253 HydrophobicContact CE-CD2 3.72Å; M198-L253 HydrophobicContact CE-CG 4.23Å; I249-L253 HydrophobicContact CG2-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 2.97Å; V250-L253 PolarHBondContact O-N 3.17Å; V251-L253 PolarHBondContact O-N 2.77Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 2.65Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 2.81Å; L253-L256 VanDerWaalsContact O-N 3.1Å; L253-Y257 HydrophobicContact CB-CE2 3.87Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.29Å; L253-Y257 PolarHBondContact O-N 3.17Å
254F98.2Very high96.6Very high52 Ų5272.4 Ų72.423%0.22840%0.395CS..Hα-helixtrans-59.3-41.4176.3-174.7-96.8000112L162 V250 V251 L252 L256 Y257 K258 W263 L267 S270L162-F254 HydrophobicContact CD2-CE2 3.97Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 3.44Å; V251-F254 PolarHBondContact O-N 3.46Å; L252-F254 PolarHBondContact O-N 3.06Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.02Å; F254-Y257 PolarHBondContact O-N 3.09Å; F254-K258 HydrophobicContact CE1-CD 4.45Å; F254-K258 VanDerWaalsContact O-CB 3.22Å; F254-K258 WeakPolarHBondContact O-CB 3.42Å; F254-K258 PolarHBondContact O-N 2.63Å; F254-W263 HydrophobicContact CZ-CH2 4.11Å; F254-W263 HydrophobicContact CZ-CZ3 4.05Å; F254-L267 HydrophobicContact CE2-CD2 4.23Å; F254-L267 HydrophobicContact CZ-CD2 4.22Å; F254-S270 WeakPolarHBondContact CD2-OG 3.34Å
255W97.9Very high96.8Very high150 Ų15070.3 Ų70.357%0.56838%0.375SS*.Hα-helixtrans-63.2-38.4174.3-82.1105.4000112.8V251 L252 L253 S259V251-W255 PolarHBondContact O-N 3.07Å; L252-W255 PolarHBondContact O-N 3.25Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 2.65Å; W255-S259 WeakPolarHBondContact O-CB 3.25Å; W255-S259 PolarHBondContact O-N 3.05Å; W255-S259 PolarHBondContact O-OG 3.06Å
256L97.9Very high97.1Very high96 Ų9667.2 Ų67.250%0.50336%0.356SS..Hα-helixtrans-67-43.7175.7-68172.7000111.5L252 L253 F254 S259 S260L252-L256 HydrophobicContact CG-CD1 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.97Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 2.81Å; L253-L256 VanDerWaalsContact O-N 3.1Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.02Å; L256-S259 PolarHBondContact O-N 2.95Å; L256-S260 WeakPolarHBondContact O-CB 3.17Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.45Å
257Y98.2Very high97.3Very high24 Ų2467.4 Ų67.49%0.09436%0.356CS..Hα-helixtrans-65.3-44.9177-56-29000111.4L253 F254 S259 S260 M261 F269 S270L253-Y257 HydrophobicContact CB-CE2 3.87Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.29Å; L253-Y257 PolarHBondContact O-N 3.17Å; F254-Y257 PolarHBondContact O-N 3.09Å; Y257-S259 PolarHBondContact O-N 3.23Å; Y257-S260 PolarHBondContact O-N 3.11Å; Y257-S260 PolarHBondContact O-OG 2.9Å; Y257-M261 HydrophobicContact CD1-CE 4.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.08Å; Y257-M261 PolarHBondContact O-N 3.34Å; Y257-F269 HydrophobicContact CD1-CD1 4.24Å; Y257-F269 HydrophobicContact CD1-CE1 4.05Å; Y257-F269 HydrophobicContact CD2-CD1 4.03Å; Y257-F269 HydrophobicContact CD2-CE1 4.32Å; Y257-F269 HydrophobicContact CE1-CD1 4.33Å; Y257-F269 AromaticContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE2-CD1 4.09Å; Y257-F269 HydrophobicContact CE2-CE1 4.02Å; Y257-F269 HydrophobicContact CG-CD1 4.11Å; Y257-F269 HydrophobicContact CG-CE1 4.34Å; Y257-F269 AromaticContact CZ-CE1 3.72Å; Y257-S270 WeakPolarHBondContact CD2-OG 3.39Å
258K97.9Very high97.4Very high95 Ų9565.4 Ų65.441%0.41334%0.342SS..Hα-helixtrans-59-35.8175.7-178.7-178.5175.8-1770112.3F254 S260 W263 C266F254-K258 HydrophobicContact CE1-CD 4.45Å; F254-K258 VanDerWaalsContact O-CB 3.22Å; F254-K258 WeakPolarHBondContact O-CB 3.42Å; F254-K258 PolarHBondContact O-N 2.63Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-W263 HydrophobicContact CD-CZ3 4.25Å; K258-W263 HydrophobicContact CG-CZ3 4.39Å; K258-C266 WeakPolarHBondContact CA-SG 3.26Å; K258-C266 PolarHBondContact N-SG 2.89Å
259S97.6Very high97.5Very high101 Ų10160.4 Ų60.471%0.70632%0.315SS*.Hα-helixtrans-77-16.5179-57.10000113.6W255 L256 Y257W255-S259 WeakPolarHBondContact O-CB 3.25Å; W255-S259 PolarHBondContact O-N 3.05Å; W255-S259 PolarHBondContact O-OG 3.06Å; L256-S259 PolarHBondContact O-N 2.95Å; Y257-S259 PolarHBondContact O-N 3.23Å
260S96.9Very high97.7Very high85 Ų8556.9 Ų56.959%0.59430%0.298SS*.Hα-helixtrans-115.8-15.1-172.353.90000114.7L256 Y257 K258L256-S260 WeakPolarHBondContact O-CB 3.17Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.45Å; Y257-S260 PolarHBondContact O-N 3.11Å; Y257-S260 PolarHBondContact O-OG 2.9Å; K258-S260 VanDerWaalsContact C-N 3.32Å
261M96.7Very high97.8Very high53 Ų5355.2 Ų55.226%0.26129%0.288SS..SBendtrans-129.7151.2-172.4-55.3178.3-175.600111.6Y257 T265 C266 F269Y257-M261 HydrophobicContact CD1-CE 4.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.08Å; Y257-M261 PolarHBondContact O-N 3.34Å; M261-T265 HydrophobicContact CB-CG2 4.15Å; M261-T265 HydrophobicContact CG-CG2 4.47Å; M261-T265 HydrophobicContact SD-CG2 4.1Å; M261-C266 HydrophobicContact CB-CB 4.3Å; M261-F269 HydrophobicContact CE-CD1 4Å; M261-F269 HydrophobicContact CE-CD2 4.34Å; M261-F269 HydrophobicContact CE-CE1 4.09Å; M261-F269 HydrophobicContact CE-CE2 4.41Å; M261-F269 HydrophobicContact CE-CG 4.12Å; M261-F269 HydrophobicContact CE-CZ 4.28Å; M261-F269 HydrophobicContact SD-CB 4.07Å; M261-F269 HydrophobicContact SD-CD1 4.18Å; M261-F269 HydrophobicContact SD-CG 4Å
262P96.3Very high97.8Very high89 Ų8951.5 Ų51.558%0.57827%0.265SS*.  trans-54.5151.1166.4-23.834.2000111.7S264 T265 C266P262-S264 PolarHBondContact O-N 2.87Å; P262-T265 WeakPolarHBondContact O-CB 3.25Å; P262-T265 PolarHBondContact O-N 2.9Å; P262-T265 VanDerWaalsContact O-N 3.11Å; P262-C266 PolarHBondContact O-N 2.92Å
263W97Very high97.9Very high126 Ų12647.1 Ų47.148%0.47724%0.242SC..Hα-helixtrans-56.1-48.4-170.7178.3-111.9000113.9D169 F254 K258 T265 C266 L267D169-W263 PolarHBondContact OD2-NE1 3.21Å; F254-W263 HydrophobicContact CZ-CH2 4.11Å; F254-W263 HydrophobicContact CZ-CZ3 4.05Å; K258-W263 HydrophobicContact CD-CZ3 4.25Å; K258-W263 HydrophobicContact CG-CZ3 4.39Å; W263-T265 VanDerWaalsContact C-N 3.34Å; W263-T265 PolarHBondContact O-N 3.37Å; W263-C266 WeakPolarHBondContact O-CB 3.12Å; W263-C266 PolarHBondContact O-N 2.73Å; W263-L267 HydrophobicContact CD2-CD1 4.44Å; W263-L267 HydrophobicContact CD2-CG 4.3Å; W263-L267 HydrophobicContact CH2-CD2 3.8Å; W263-L267 HydrophobicContact CH2-CG 4.45Å; W263-L267 HydrophobicContact CZ2-CD1 3.91Å; W263-L267 HydrophobicContact CZ2-CD2 3.7Å; W263-L267 HydrophobicContact CZ2-CG 4.03Å; W263-L267 HydrophobicContact CZ3-CD2 4.3Å; W263-L267 WeakPolarHBondContact O-CG 3.27Å; W263-L267 PolarHBondContact O-N 3.37Å
264S96.8Very high98Very high6 Ų646 Ų464%0.04224%0.236CC..Hα-helixtrans-58.4-45.1177550000111.8E173 P262 L267 I268E173-S264 WeakPolarHBondContact OE1-CB 3.29Å; E173-S264 PolarHBondContact OE1-OG 2.94Å; P262-S264 PolarHBondContact O-N 2.87Å; S264-L267 PolarHBondContact O-N 3.49Å; S264-I268 WeakPolarHBondContact O-CD1 3.36Å; S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.43Å; S264-I268 PolarHBondContact O-N 3.29Å
265T97.8Very high98Very high36 Ų3646.7 Ų46.722%0.22124%0.239CC..Hα-helixtrans-64.1-44.1176.6-59.40000111.6I187 M261 P262 W263 L267 I268 F269I187-T265 HydrophobicContact CD1-CG2 4.18Å; I187-T265 HydrophobicContact CG1-CG2 4.42Å; I187-T265 HydrophobicContact CG2-CG2 4.02Å; M261-T265 HydrophobicContact CB-CG2 4.15Å; M261-T265 HydrophobicContact CG-CG2 4.47Å; M261-T265 HydrophobicContact SD-CG2 4.1Å; P262-T265 WeakPolarHBondContact O-CB 3.25Å; P262-T265 PolarHBondContact O-N 2.9Å; P262-T265 VanDerWaalsContact O-N 3.11Å; W263-T265 VanDerWaalsContact C-N 3.34Å; W263-T265 PolarHBondContact O-N 3.37Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.91Å; T265-I268 PolarHBondContact O-N 2.98Å; T265-F269 WeakPolarHBondContact O-CB 3.36Å; T265-F269 PolarHBondContact O-N 3.44Å
266C98.4Very high98Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-57.1-47.1177.1174.70000111.3K258 M261 P262 W263 S270K258-C266 WeakPolarHBondContact CA-SG 3.26Å; K258-C266 PolarHBondContact N-SG 2.89Å; M261-C266 HydrophobicContact CB-CB 4.3Å; P262-C266 PolarHBondContact O-N 2.92Å; W263-C266 WeakPolarHBondContact O-CB 3.12Å; W263-C266 PolarHBondContact O-N 2.73Å; C266-S270 WeakPolarHBondContact O-CB 3.37Å; C266-S270 PolarHBondContact O-N 3.15Å; C266-S270 PolarHBondContact O-OG 2.65Å
267L98.5Very high98.1Very high10 Ų1035.7 Ų35.75%0.05219%0.192CC..Hα-helixtrans-61.6-49.4179.6-68.4-176.5000112L162 F254 W263 S264 T265 S271L162-L267 HydrophobicContact CD2-CD2 3.65Å; F254-L267 HydrophobicContact CE2-CD2 4.23Å; F254-L267 HydrophobicContact CZ-CD2 4.22Å; W263-L267 HydrophobicContact CD2-CD1 4.44Å; W263-L267 HydrophobicContact CD2-CG 4.3Å; W263-L267 HydrophobicContact CH2-CD2 3.8Å; W263-L267 HydrophobicContact CH2-CG 4.45Å; W263-L267 HydrophobicContact CZ2-CD1 3.91Å; W263-L267 HydrophobicContact CZ2-CD2 3.7Å; W263-L267 HydrophobicContact CZ2-CG 4.03Å; W263-L267 HydrophobicContact CZ3-CD2 4.3Å; W263-L267 WeakPolarHBondContact O-CG 3.27Å; W263-L267 PolarHBondContact O-N 3.37Å; S264-L267 PolarHBondContact O-N 3.49Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.91Å; L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 2.93Å
268I98.6Very high98.1Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-68.1-42.1-178.3-59.2164.9000111.3L170 F184 I187 F188 S264 T265 S271 G272L170-I268 HydrophobicContact CB-CD1 4.23Å; L170-I268 HydrophobicContact CD2-CD1 3.63Å; L170-I268 HydrophobicContact CG-CD1 4.44Å; F184-I268 HydrophobicContact CD2-CB 4.5Å; F184-I268 HydrophobicContact CD2-CD1 3.71Å; F184-I268 HydrophobicContact CD2-CG1 3.81Å; F184-I268 HydrophobicContact CD2-CG2 3.84Å; F184-I268 HydrophobicContact CE2-CD1 4.39Å; F184-I268 HydrophobicContact CE2-CG1 3.98Å; F184-I268 HydrophobicContact CE2-CG2 3.89Å; F184-I268 HydrophobicContact CG-CG2 4.37Å; F184-I268 HydrophobicContact CZ-CG2 4.45Å; F184-I268 WeakPolarHBondContact O-CG2 3.43Å; I187-I268 HydrophobicContact CB-CB 4.33Å; I187-I268 HydrophobicContact CB-CG2 3.8Å; I187-I268 HydrophobicContact CD1-CD1 4.48Å; I187-I268 HydrophobicContact CG2-CB 3.78Å; I187-I268 HydrophobicContact CG2-CG2 3.69Å; F188-I268 HydrophobicContact CB-CG2 3.88Å; S264-I268 WeakPolarHBondContact O-CD1 3.36Å; S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.43Å; S264-I268 PolarHBondContact O-N 3.29Å; T265-I268 PolarHBondContact O-N 2.98Å; I268-S271 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-OG 3.46Å; I268-G272 PolarHBondContact O-N 3.17Å
269F98.8Very high98.1Very high21 Ų2132.8 Ų32.89%0.09219%0.186CC..Hα-helixtrans-65.1-45.3178.7-174.8-89.5000110.7I187 S190 C194 Y257 M261 T265 S271 G272 N273I187-F269 HydrophobicContact CG2-CB 3.81Å; I187-F269 HydrophobicContact CG2-CD2 4.49Å; S190-F269 WeakPolarHBondContact OG-CD2 3.17Å; C194-F269 HydrophobicContact CB-CE1 4.45Å; C194-F269 HydrophobicContact CB-CE2 4.26Å; C194-F269 HydrophobicContact CB-CZ 3.6Å; Y257-F269 HydrophobicContact CD1-CD1 4.24Å; Y257-F269 HydrophobicContact CD1-CE1 4.05Å; Y257-F269 HydrophobicContact CD2-CD1 4.03Å; Y257-F269 HydrophobicContact CD2-CE1 4.32Å; Y257-F269 HydrophobicContact CE1-CD1 4.33Å; Y257-F269 AromaticContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE2-CD1 4.09Å; Y257-F269 HydrophobicContact CE2-CE1 4.02Å; Y257-F269 HydrophobicContact CG-CD1 4.11Å; Y257-F269 HydrophobicContact CG-CE1 4.34Å; Y257-F269 AromaticContact CZ-CE1 3.72Å; M261-F269 HydrophobicContact CE-CD1 4Å; M261-F269 HydrophobicContact CE-CD2 4.34Å; M261-F269 HydrophobicContact CE-CE1 4.09Å; M261-F269 HydrophobicContact CE-CE2 4.41Å; M261-F269 HydrophobicContact CE-CG 4.12Å; M261-F269 HydrophobicContact CE-CZ 4.28Å; M261-F269 HydrophobicContact SD-CB 4.07Å; M261-F269 HydrophobicContact SD-CD1 4.18Å; M261-F269 HydrophobicContact SD-CG 4Å; T265-F269 WeakPolarHBondContact O-CB 3.36Å; T265-F269 PolarHBondContact O-N 3.44Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.99Å; F269-G272 PolarHBondContact O-N 3.35Å; F269-N273 WeakPolarHBondContact O-CB 3.49Å; F269-N273 PolarHBondContact O-N 2.97Å
270S98.7Very high98.2Very high7 Ų728.7 Ų28.75%0.04916%0.155CC..Hα-helixtrans-62.5-38.8176.9-58.90000111.7F254 Y257 C266 L274F254-S270 WeakPolarHBondContact CD2-OG 3.34Å; Y257-S270 WeakPolarHBondContact CD2-OG 3.39Å; C266-S270 WeakPolarHBondContact O-CB 3.37Å; C266-S270 PolarHBondContact O-N 3.15Å; C266-S270 PolarHBondContact O-OG 2.65Å; S270-L274 VanDerWaalsContact O-CB 3.24Å; S270-L274 WeakPolarHBondContact O-CB 3.35Å; S270-L274 PolarHBondContact O-N 3.37Å
271S98.7Very high98.2Very high0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-67.5-42.3177.576.60000112T163 F188 L267 I268 F269 F275T163-S271 WeakPolarHBondContact OG1-CB 3.47Å; T163-S271 PolarHBondContact OG1-OG 3.22Å; F188-S271 WeakPolarHBondContact CD2-OG 3.4Å; F188-S271 WeakPolarHBondContact CE2-OG 3.33Å; L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 2.93Å; I268-S271 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-OG 3.46Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.99Å; S271-F275 WeakPolarHBondContact O-CB 3.48Å; S271-F275 PolarHBondContact O-N 2.91Å
272G98.8Very high98.3Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-62.9-44.3173.700000112.9F188 I192 I268 F269 F275 G276F188-G272 VanDerWaalsContact CE2-CA 3.5Å; F188-G272 WeakPolarHBondContact O-CA 3.3Å; I192-G272 WeakPolarHBondContact CG1-O 3.12Å; I268-G272 PolarHBondContact O-N 3.17Å; F269-G272 PolarHBondContact O-N 3.35Å; G272-F275 PolarHBondContact O-N 3.13Å; G272-G276 PolarHBondContact O-N 3.24Å
273N98.8Very high98.3Very high9 Ų921.1 Ų21.15%0.04810%0.104CC..Hα-helixtrans-63.4-48.3177.5-173.8-88.4000112.1G191 W195 F269 F275 G276 Y277G191-N273 VanDerWaalsContact O-CA 3.27Å; G191-N273 WeakPolarHBondContact O-CA 3.4Å; G191-N273 PolarHBondContact O-ND2 3.5Å; W195-N273 WeakPolarHBondContact CB-O 3.34Å; W195-N273 PolarHBondContact N-ND2 3.28Å; F269-N273 WeakPolarHBondContact O-CB 3.49Å; F269-N273 PolarHBondContact O-N 2.97Å; N273-F275 VanDerWaalsContact C-N 3.34Å; N273-F275 PolarHBondContact O-N 2.74Å; N273-G276 WeakPolarHBondContact O-CA 3.44Å; N273-G276 PolarHBondContact O-N 2.99Å; N273-G276 VanDerWaalsContact O-N 3.17Å; N273-Y277 PolarHBondContact O-N 3.41Å
274L98.7Very high98.4Very high7 Ų715.2 Ų15.24%0.0378%0.082CC..Hα-helixtrans-66.5-36.1178.2-176.764.1000112.1W155 I158 V159 V250 S270 G276 Y277 V278W155-L274 HydrophobicContact CB-CD1 4.33Å; W155-L274 HydrophobicContact CB-CD2 4.45Å; W155-L274 HydrophobicContact CB-CG 4.38Å; W155-L274 HydrophobicContact CD2-CD1 4.06Å; W155-L274 HydrophobicContact CE3-CD1 3.88Å; W155-L274 HydrophobicContact CE3-CD2 3.98Å; W155-L274 HydrophobicContact CE3-CG 4.49Å; W155-L274 HydrophobicContact CG-CD1 4.26Å; I158-L274 HydrophobicContact CB-CD2 4.13Å; I158-L274 HydrophobicContact CG2-CD2 3.75Å; V159-L274 HydrophobicContact CG2-CB 3.96Å; V159-L274 HydrophobicContact CG2-CD2 3.76Å; V159-L274 HydrophobicContact CG2-CG 3.7Å; V250-L274 HydrophobicContact CG1-CD1 4.23Å; V250-L274 HydrophobicContact CG2-CD1 3.97Å; S270-L274 VanDerWaalsContact O-CB 3.24Å; S270-L274 WeakPolarHBondContact O-CB 3.35Å; S270-L274 PolarHBondContact O-N 3.37Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-Y277 HydrophobicContact CD1-CD1 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.94Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 2.89Å
275F98.8Very high98.4Very high65 Ų6516.7 Ų16.729%0.2859%0.087SC..Hα-helixtrans-62.3-42.9171.6179.6-106.6000111.5M156 V159 F188 I192 S271 G272 N273 Y277 V278 C279M156-F275 HydrophobicContact CE-CD2 4.08Å; M156-F275 HydrophobicContact CE-CE2 4.11Å; M156-F275 HydrophobicContact SD-CD2 3.99Å; M156-F275 HydrophobicContact SD-CE2 4.3Å; V159-F275 HydrophobicContact CG1-CB 3.97Å; V159-F275 HydrophobicContact CG1-CD2 4.3Å; V159-F275 HydrophobicContact CG2-CB 4.27Å; F188-F275 HydrophobicContact CE1-CD1 4.15Å; F188-F275 HydrophobicContact CZ-CB 4.05Å; F188-F275 HydrophobicContact CZ-CD1 4Å; F188-F275 HydrophobicContact CZ-CG 4.08Å; I192-F275 HydrophobicContact CD1-CD1 3.84Å; I192-F275 HydrophobicContact CD1-CE1 4.27Å; I192-F275 HydrophobicContact CG1-CD1 4.19Å; S271-F275 WeakPolarHBondContact O-CB 3.48Å; S271-F275 PolarHBondContact O-N 2.91Å; G272-F275 PolarHBondContact O-N 3.13Å; N273-F275 VanDerWaalsContact C-N 3.34Å; N273-F275 PolarHBondContact O-N 2.74Å; F275-Y277 VanDerWaalsContact C-N 3.29Å; F275-Y277 PolarHBondContact O-N 3.38Å; F275-V278 PolarHBondContact O-N 2.82Å; F275-C279 VanDerWaalsContact CZ-SG 3.58Å; F275-C279 PolarHBondContact O-N 3.48Å; F275-C279 PolarHBondContact O-SG 2.91Å
276G98.7Very high98.3Very high3 Ų320 Ų203%0.03110%0.096CC..Hα-helixtrans-53.5-45.8171.300000112.2W195 G272 N273 L274 C279 Y280W195-G276 VanDerWaalsContact CG-C 3.44Å; W195-G276 PolarHBondContact NE1-O 3.04Å; G272-G276 PolarHBondContact O-N 3.24Å; N273-G276 WeakPolarHBondContact O-CA 3.44Å; N273-G276 PolarHBondContact O-N 2.99Å; N273-G276 VanDerWaalsContact O-N 3.17Å; L274-G276 VanDerWaalsContact C-N 3.34Å; G276-C279 WeakPolarHBondContact O-CB 3.48Å; G276-C279 PolarHBondContact O-N 3.44Å; G276-Y280 WeakPolarHBondContact O-CB 3.47Å; G276-Y280 PolarHBondContact O-N 3.01Å
277Y98.6Very high98.1Very high13 Ų1320 Ų205%0.05110%0.096CC..Hα-helixtrans-59.3-46.7174.6162.7-111.3000113.2V151 W155 W195 F241 N273 L274 F275 C279 Y280 D281V151-Y277 HydrophobicContact CG1-CE1 4.03Å; W155-Y277 AromaticContact CD1-CE1 3.53Å; W155-Y277 HydrophobicContact CD2-CE1 4.49Å; W155-Y277 HydrophobicContact CG-CE1 4.15Å; W155-Y277 AromaticContact NE1-CE1 3.52Å; W195-Y277 AromaticContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CE2 4.41Å; W195-Y277 AromaticContact CH2-CG 3.96Å; W195-Y277 HydrophobicContact CH2-CG 3.96Å; W195-Y277 AromaticContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CG 4.27Å; W195-Y277 AromaticContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CG 4.15Å; F241-Y277 PolarHBondContact O-OH 2.86Å; N273-Y277 PolarHBondContact O-N 3.41Å; L274-Y277 HydrophobicContact CD1-CD1 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.94Å; F275-Y277 VanDerWaalsContact C-N 3.29Å; F275-Y277 PolarHBondContact O-N 3.38Å; Y277-C279 VanDerWaalsContact C-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.45Å; Y277-Y280 HydrophobicContact CD2-CD1 4.1Å; Y277-Y280 HydrophobicContact CE2-CD1 4.42Å; Y277-Y280 WeakPolarHBondContact O-CB 3.22Å; Y277-Y280 PolarHBondContact O-N 3.44Å; Y277-D281 HydrophobicContact CE2-CB 4.32Å; Y277-D281 PolarHBondContact O-N 3.47Å; Y277-D281 PolarHBondContact OH-OD2 3.37Å
278V98.7Very high97.8Very high8 Ų819.5 Ų19.55%0.0489%0.094CC..Hα-helixtrans-59.7-46176.9175.80000110.3V151 P152 W155 M156 L274 F275 Y280 D281 M282V151-V278 HydrophobicContact CG1-CG2 4.34Å; P152-V278 HydrophobicContact CB-CG1 4.16Å; W155-V278 HydrophobicContact CB-CG2 3.52Å; W155-V278 HydrophobicContact CG-CG2 4.34Å; M156-V278 HydrophobicContact CG-CG1 4.3Å; M156-V278 HydrophobicContact SD-CB 4.38Å; M156-V278 HydrophobicContact SD-CG1 3.99Å; M156-V278 HydrophobicContact SD-CG2 4.38Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 2.89Å; F275-V278 PolarHBondContact O-N 2.82Å; V278-Y280 VanDerWaalsContact C-N 3.34Å; V278-Y280 PolarHBondContact O-N 2.92Å; V278-D281 PolarHBondContact O-N 2.95Å; V278-M282 HydrophobicContact CG1-CG 4.32Å; V278-M282 WeakPolarHBondContact O-CB 3.4Å; V278-M282 VanDerWaalsContact O-CG 3.23Å; V278-M282 WeakPolarHBondContact O-CG 3.47Å; V278-M282 PolarHBondContact O-N 3.05Å
279C98.4Very high97.5Very high50 Ų5021 Ų2134%0.33810%0.101SC..Hα-helixtrans-58.8-45.7176.3-71.70000111.9F275 G276 Y277 D281 M282 V283F275-C279 VanDerWaalsContact CZ-SG 3.58Å; F275-C279 PolarHBondContact O-N 3.48Å; F275-C279 PolarHBondContact O-SG 2.91Å; G276-C279 WeakPolarHBondContact O-CB 3.48Å; G276-C279 PolarHBondContact O-N 3.44Å; Y277-C279 VanDerWaalsContact C-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.45Å; C279-D281 PolarHBondContact O-N 2.88Å; C279-M282 PolarHBondContact O-N 3.47Å; C279-V283 WeakPolarHBondContact O-CB 3.42Å; C279-V283 VanDerWaalsContact O-CG2 3.26Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.1Å
280Y98.4Very high97Very high14 Ų1420.5 Ų20.56%0.05510%0.102CC..Hα-helixtrans-55-52.6176.4153.4-97000112.2W195 E199 G276 Y277 V278 M282 V283 H284 I319W195-Y280 HydrophobicContact CH2-CD1 4.33Å; W195-Y280 AromaticContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD1 3.48Å; W195-Y280 VanDerWaalsContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD2 4.46Å; W195-Y280 HydrophobicContact CZ2-CE1 4.15Å; W195-Y280 AromaticContact CZ2-CG 3.66Å; W195-Y280 HydrophobicContact CZ2-CG 3.66Å; W195-Y280 AromaticContact NE1-CG 3.9Å; E199-Y280 HydrophobicContact CG-CD2 3.53Å; E199-Y280 HydrophobicContact CG-CE2 3.61Å; E199-Y280 HydrophobicContact CG-CG 4.35Å; E199-Y280 VanDerWaalsContact OE2-CD2 3.31Å; E199-Y280 WeakPolarHBondContact OE2-CD2 3.45Å; G276-Y280 WeakPolarHBondContact O-CB 3.47Å; G276-Y280 PolarHBondContact O-N 3.01Å; Y277-Y280 HydrophobicContact CD2-CD1 4.1Å; Y277-Y280 HydrophobicContact CE2-CD1 4.42Å; Y277-Y280 WeakPolarHBondContact O-CB 3.22Å; Y277-Y280 PolarHBondContact O-N 3.44Å; V278-Y280 VanDerWaalsContact C-N 3.34Å; V278-Y280 PolarHBondContact O-N 2.92Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 2.98Å; Y280-V283 PolarHBondContact O-N 2.83Å; Y280-H284 VanDerWaalsContact O-CB 3.32Å; Y280-H284 WeakPolarHBondContact O-CB 3.44Å; Y280-H284 PolarHBondContact O-N 3.35Å; Y280-I319 HydrophobicContact CD2-CB 4.05Å; Y280-I319 HydrophobicContact CD2-CG2 4.18Å; Y280-I319 HydrophobicContact CE2-CB 3.78Å; Y280-I319 HydrophobicContact CE2-CD1 3.5Å; Y280-I319 VanDerWaalsContact CE2-CD1 3.5Å; Y280-I319 HydrophobicContact CE2-CG1 4.12Å; Y280-I319 HydrophobicContact CE2-CG2 4.04Å
281D97.8Very high96.5Very high2 Ų225.1 Ų25.11%0.01112%0.122CC..Hα-helixtrans-70-32.8-172.9-137.10.7000110.6V151 V240 F241 Y277 V278 C279 Y285V151-D281 HydrophobicContact CG1-CB 4.09Å; V151-D281 WeakPolarHBondContact CG2-OD2 3.18Å; V240-D281 WeakPolarHBondContact CA-OD1 3.46Å; F241-D281 PolarHBondContact N-OD2 3.09Å; Y277-D281 HydrophobicContact CE2-CB 4.32Å; Y277-D281 PolarHBondContact O-N 3.47Å; Y277-D281 PolarHBondContact OH-OD2 3.37Å; V278-D281 PolarHBondContact O-N 2.95Å; C279-D281 PolarHBondContact O-N 2.88Å; D281-Y285 WeakPolarHBondContact O-CB 3.35Å; D281-Y285 PolarHBondContact O-N 2.95Å
282M98.2Very high96.1Very high41 Ų4125.3 Ų25.320%0.20212%0.123CC..Hα-helixtrans-70.6-41.3173.8-64.9-54.188.100112.5W148 V151 P152 V240 V278 C279 Y280 Y286W148-M282 HydrophobicContact CE3-SD 3.82Å; W148-M282 HydrophobicContact CZ3-SD 4.3Å; W148-M282 WeakPolarHBondContact O-CE 3.24Å; V151-M282 HydrophobicContact CB-CE 3.79Å; V151-M282 HydrophobicContact CG1-CE 4.17Å; V151-M282 HydrophobicContact CG2-CE 4.22Å; P152-M282 HydrophobicContact CG-SD 3.93Å; V240-M282 HydrophobicContact CG1-CE 4.18Å; V278-M282 HydrophobicContact CG1-CG 4.32Å; V278-M282 WeakPolarHBondContact O-CB 3.4Å; V278-M282 VanDerWaalsContact O-CG 3.23Å; V278-M282 WeakPolarHBondContact O-CG 3.47Å; V278-M282 PolarHBondContact O-N 3.05Å; C279-M282 PolarHBondContact O-N 3.47Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 2.98Å; M282-Y286 VanDerWaalsContact O-CB 3.25Å; M282-Y286 WeakPolarHBondContact O-CB 3.49Å; M282-Y286 PolarHBondContact O-N 3.27Å
283V98Very high95.7Very high25 Ų2528.1 Ų28.115%0.15215%0.147CC..Hα-helixtrans-60.3-52.4172.3167.80000108.7C279 Y280 Y285 Y286 L287 M298 L301C279-V283 WeakPolarHBondContact O-CB 3.42Å; C279-V283 VanDerWaalsContact O-CG2 3.26Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.1Å; Y280-V283 PolarHBondContact O-N 2.83Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 2.96Å; V283-Y286 CarbonylContact O-C 3.59Å; V283-Y286 PolarHBondContact O-N 3.33Å; V283-L287 HydrophobicContact CG1-CD1 4.11Å; V283-L287 HydrophobicContact CG1-CD2 4.42Å; V283-L287 HydrophobicContact CG1-CG 4.05Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.19Å; V283-M298 HydrophobicContact CG1-SD 4.21Å; V283-M298 HydrophobicContact CG2-CE 4.09Å; V283-L301 HydrophobicContact CG1-CD1 4.43Å
284H97.8Very high95Very high3 Ų331.8 Ų31.81%0.01417%0.171CC..Hα-helixtrans-53.6-49.2-180-168.8-161.3000112H229 L239 Y280 Y286 L287 H288 H305 I319H229-H284 AromaticContact CD2-CE1 3.68Å; H229-H284 AromaticContact CD2-NE2 3.79Å; H229-H284 AromaticContact CE1-NE2 3.75Å; H229-H284 AromaticContact NE2-CE1 3.34Å; H229-H284 PolarHBondContact NE2-CE1 3Å; H229-H284 VanDerWaalsContact NE2-CE1 3.34Å; H229-H284 AromaticContact NE2-NE2 3.02Å; H229-H284 PolarHBondContact NE2-NE2 3.24Å; L239-H284 HydrophobicContact CD2-CB 4.18Å; Y280-H284 VanDerWaalsContact O-CB 3.32Å; Y280-H284 WeakPolarHBondContact O-CB 3.44Å; Y280-H284 PolarHBondContact O-N 3.35Å; H284-Y286 VanDerWaalsContact C-N 3.35Å; H284-Y286 PolarHBondContact O-N 3.25Å; H284-L287 PolarHBondContact O-N 3.21Å; H284-H288 AromaticContact CD2-CD2 3.68Å; H284-H288 AromaticContact CD2-NE2 3.86Å; H284-H288 AromaticContact NE2-CD2 3.73Å; H284-H288 AromaticContact NE2-NE2 3.53Å; H284-H288 PolarHBondContact O-CD2 3.37Å; H284-H288 PolarHBondContact O-N 3.03Å; H284-H305 AromaticContact CD2-CD2 3.95Å; H284-H305 AromaticContact CD2-CE1 3.92Å; H284-H305 AromaticContact CD2-NE2 3.33Å; H284-H305 PolarHBondContact CD2-NE2 2.7Å; H284-H305 VanDerWaalsContact CD2-NE2 3.33Å; H284-H305 AromaticContact NE2-CE1 3.59Å; H284-H305 AromaticContact NE2-NE2 3.05Å; H284-H305 PolarHBondContact NE2-NE2 3.5Å; H284-I319 HydrophobicContact CB-CG2 3.72Å
285Y97Very high94.5Very high36 Ų3634.1 Ų34.114%0.14120%0.197CC..Hα-helixtrans-60.5-43.7176.8-172.1-94.6000112.4W148 K236 L239 V240 D281 V283 H288 H289W148-Y285 HydrophobicContact CB-CD1 3.64Å; W148-Y285 HydrophobicContact CB-CD2 3.73Å; W148-Y285 HydrophobicContact CB-CE1 3.58Å; W148-Y285 HydrophobicContact CB-CE2 3.68Å; W148-Y285 HydrophobicContact CB-CG 3.71Å; W148-Y285 AromaticContact CD1-CE1 3.67Å; W148-Y285 AromaticContact CD1-CZ 3.7Å; W148-Y285 HydrophobicContact CD2-CE1 4.47Å; W148-Y285 HydrophobicContact CG-CD1 4.01Å; W148-Y285 AromaticContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE2 4.44Å; W148-Y285 AromaticContact CG-CZ 3.87Å; K236-Y285 WeakPolarHBondContact O-CE2 3.36Å; L239-Y285 HydrophobicContact CB-CD2 4.37Å; L239-Y285 HydrophobicContact CD1-CD2 4.17Å; L239-Y285 HydrophobicContact CD2-CD2 4.16Å; L239-Y285 HydrophobicContact CG-CD2 4.49Å; V240-Y285 HydrophobicContact CG1-CD2 4.02Å; V240-Y285 HydrophobicContact CG1-CG 4.39Å; D281-Y285 WeakPolarHBondContact O-CB 3.35Å; D281-Y285 PolarHBondContact O-N 2.95Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 2.96Å; Y285-H288 PolarHBondContact O-N 3.39Å; Y285-H289 HydrophobicContact CD1-CB 4.48Å; Y285-H289 AromaticContact CD2-ND1 3.57Å; Y285-H289 HydrophobicContact CE1-CB 4.05Å; Y285-H289 AromaticContact CE2-CE1 3.77Å; Y285-H289 AromaticContact CE2-ND1 3.36Å; Y285-H289 WeakPolarHBondContact CE2-ND1 3.3Å; Y285-H289 AromaticContact CG-ND1 3.99Å; Y285-H289 AromaticContact CZ-ND1 3.63Å; Y285-H289 PolarHBondContact O-N 3.47Å; Y285-H289 PolarHBondContact O-ND1 2.97Å
286Y95.7Very high94.3Very high105 Ų10533.7 Ų33.741%0.41220%0.2SC..Hα-helixtrans-68.1-33.1179.3-175.1-114.5000112.8M282 V283 H284 H288 G290 P292 M298M282-Y286 VanDerWaalsContact O-CB 3.25Å; M282-Y286 WeakPolarHBondContact O-CB 3.49Å; M282-Y286 PolarHBondContact O-N 3.27Å; V283-Y286 CarbonylContact O-C 3.59Å; V283-Y286 PolarHBondContact O-N 3.33Å; H284-Y286 VanDerWaalsContact C-N 3.35Å; H284-Y286 PolarHBondContact O-N 3.25Å; Y286-H288 VanDerWaalsContact C-N 3.31Å; Y286-H288 PolarHBondContact O-N 2.88Å; Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.39Å; Y286-P292 HydrophobicContact CD1-CG 4.31Å; Y286-P292 HydrophobicContact CE1-CB 4.27Å; Y286-P292 HydrophobicContact CE1-CG 3.74Å; Y286-M298 HydrophobicContact CE1-CB 4.35Å
287L94.5Very high94.1Very high0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-63.1-38.5175-64.4-172.6000111.4V283 H284 M298 L301 K302 H305 Y306 I319V283-L287 HydrophobicContact CG1-CD1 4.11Å; V283-L287 HydrophobicContact CG1-CD2 4.42Å; V283-L287 HydrophobicContact CG1-CG 4.05Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.19Å; H284-L287 PolarHBondContact O-N 3.21Å; L287-M298 WeakPolarHBondContact CD2-O 3.38Å; L287-M298 HydrophobicContact CD2-SD 4.32Å; L287-L301 HydrophobicContact CD1-CB 4Å; L287-L301 HydrophobicContact CD2-CB 3.84Å; L287-K302 HydrophobicContact CD2-CB 4.09Å; L287-K302 VanDerWaalsContact O-CD 3.25Å; L287-K302 WeakPolarHBondContact O-CD 3.14Å; L287-K302 WeakPolarHBondContact O-CE 3.43Å; L287-K302 WeakPolarHBondContact O-CG 3.45Å; L287-H305 HydrophobicContact CD1-CB 3.91Å; L287-Y306 WeakPolarHBondContact O-CE2 3.42Å; L287-I319 HydrophobicContact CD1-CG2 4.24Å
288H92.8Very high93.9Very high0 Ų041.4 Ų41.40%023%0.232CC..Hα-helixtrans-79-42.2178.1-77.8-80.2000113.7H229 L239 H284 Y285 Y286 H305 Y306 H309H229-H288 AromaticContact CE1-CD2 3.68Å; H229-H288 AromaticContact CE1-CE1 3.62Å; H229-H288 AromaticContact CE1-NE2 3.25Å; H229-H288 PolarHBondContact CE1-NE2 3.36Å; H229-H288 VanDerWaalsContact CE1-NE2 3.25Å; H229-H288 AromaticContact NE2-CD2 3.94Å; H229-H288 AromaticContact NE2-CE1 3.79Å; H229-H288 AromaticContact NE2-NE2 3.21Å; H229-H288 PolarHBondContact NE2-NE2 2.93Å; L239-H288 HydrophobicContact CD1-CB 3.62Å; H284-H288 AromaticContact CD2-CD2 3.68Å; H284-H288 AromaticContact CD2-NE2 3.86Å; H284-H288 AromaticContact NE2-CD2 3.73Å; H284-H288 AromaticContact NE2-NE2 3.53Å; H284-H288 PolarHBondContact O-CD2 3.37Å; H284-H288 PolarHBondContact O-N 3.03Å; Y285-H288 PolarHBondContact O-N 3.39Å; Y286-H288 VanDerWaalsContact C-N 3.31Å; Y286-H288 PolarHBondContact O-N 2.88Å; H288-H305 AromaticContact CD2-CD2 3.89Å; H288-H305 AromaticContact CD2-NE2 3.84Å; H288-H305 AromaticContact CE1-CD2 3.96Å; H288-H305 AromaticContact CE1-NE2 3.87Å; H288-H305 AromaticContact NE2-CD2 3.23Å; H288-H305 PolarHBondContact NE2-CD2 3.28Å; H288-H305 AromaticContact NE2-NE2 2.97Å; H288-H305 PolarHBondContact NE2-NE2 2.91Å; H288-Y306 PolarHBondContact O-OH 3.28Å; H288-Y306 VanDerWaalsContact O-OH 3.1Å; H288-H309 AromaticContact CE1-CD2 3.48Å; H288-H309 PolarHBondContact CE1-CD2 3.42Å; H288-H309 VanDerWaalsContact CE1-CD2 3.48Å; H288-H309 AromaticContact CE1-CE1 3.97Å; H288-H309 AromaticContact CE1-NE2 3.39Å; H288-H309 PolarHBondContact CE1-NE2 2.88Å; H288-H309 AromaticContact NE2-CD2 3.72Å; H288-H309 AromaticContact NE2-NE2 3.33Å; H288-H309 PolarHBondContact NE2-NE2 3.49Å
289H91.1Very high93.5Very high32 Ų3241.5 Ų41.515%0.14823%0.232CC..Hα-helixtrans-113.6-8.7-166.7-57.3105.1000115.1K236 L239 Y285K236-H289 WeakPolarHBondContact CG-CD2 3.45Å; K236-H289 VanDerWaalsContact CG-NE2 3.28Å; K236-H289 WeakPolarHBondContact CG-NE2 3.47Å; L239-H289 VanDerWaalsContact CD1-CE1 3.45Å; L239-H289 WeakPolarHBondContact CD1-CE1 3.48Å; Y285-H289 HydrophobicContact CD1-CB 4.48Å; Y285-H289 AromaticContact CD2-ND1 3.57Å; Y285-H289 HydrophobicContact CE1-CB 4.05Å; Y285-H289 AromaticContact CE2-CE1 3.77Å; Y285-H289 AromaticContact CE2-ND1 3.36Å; Y285-H289 WeakPolarHBondContact CE2-ND1 3.3Å; Y285-H289 AromaticContact CG-ND1 3.99Å; Y285-H289 AromaticContact CZ-ND1 3.63Å; Y285-H289 PolarHBondContact O-N 3.47Å; Y285-H289 PolarHBondContact O-ND1 2.97Å
290G89.7Confident93.3Very high11 Ų1143 Ų4311%0.11323%0.233CC..  trans-93168.4174.100000112.7Y286 P292 K302Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.39Å; G290-P292 VanDerWaalsContact C-CD 3.46Å; G290-P292 WeakPolarHBondContact O-CD 3.35Å; G290-K302 PolarHBondContact O-NZ 3.38Å
291E87.6Confident93.1Very high103 Ų10342.5 Ų42.548%0.48123%0.232SC..  trans-118.478.5171.9-169.4165.8-155.800109.2A42 A293A42-E291 PolarHBondContact N-OE1 2.73Å; E291-A293 PolarHBondContact O-N 3.06Å
292P90.2Very high92.9Very high4 Ų442.6 Ų42.63%0.02623%0.232CC..PPolyproline II helixtrans-55.9137.1173.3-21.631.4000110.6Y286 G290 M298 H299 K302Y286-P292 HydrophobicContact CD1-CG 4.31Å; Y286-P292 HydrophobicContact CE1-CB 4.27Å; Y286-P292 HydrophobicContact CE1-CG 3.74Å; G290-P292 VanDerWaalsContact C-CD 3.46Å; G290-P292 WeakPolarHBondContact O-CD 3.35Å; P292-M298 HydrophobicContact CB-CB 3.77Å; P292-M298 HydrophobicContact CG-CB 4.06Å; P292-H299 HydrophobicContact CB-CB 4.01Å; P292-H299 PolarHBondContact O-ND1 3.38Å; P292-K302 HydrophobicContact CG-CB 4.37Å; P292-K302 HydrophobicContact CG-CD 4.23Å
293A89.7Confident92.6Very high59 Ų5942.6 Ų42.649%0.48823%0.231SC..PPolyproline II helixtrans-61.1135-179.900000110.9E291 G295 T296 H299E291-A293 PolarHBondContact O-N 3.06Å; A293-G295 PolarHBondContact O-N 2.87Å; A293-T296 HydrophobicContact CB-CG2 3.9Å; A293-T296 WeakPolarHBondContact O-CB 3.15Å; A293-T296 VanDerWaalsContact O-CG2 3.28Å; A293-T296 WeakPolarHBondContact O-CG2 3.44Å; A293-T296 PolarHBondContact O-N 3.33Å; A293-T296 VanDerWaalsContact O-N 3.15Å; A293-T296 PolarHBondContact O-OG1 3.24Å; A293-H299 VanDerWaalsContact O-CB 3.29Å; A293-H299 WeakPolarHBondContact O-CB 3.4Å
294P85.8Confident92.5Very high87 Ų8741.4 Ų41.457%0.56522%0.223SC*.THydrogen-bonded Turntrans-51.5135.6179.8-29.335.6000113.1T296P294-T296 VanDerWaalsContact C-N 3.31Å; P294-T296 PolarHBondContact O-N 3.44Å
295G87.1Confident92.4Very high55 Ų5541.3 Ų41.357%0.56722%0.223SC*.THydrogen-bonded Turntrans85-8.4179.600000115.3A293 H300A293-G295 PolarHBondContact O-N 2.87Å; G295-H300 PolarHBondContact O-CE1 2.94Å; G295-H300 VanDerWaalsContact O-CE1 3.31Å
296T93.7Very high92.2Very high57 Ų5739.8 Ų39.835%0.3522%0.217SC..SBendtrans-74.5161.817363.90000112.3A293 P294 M298 H299 H300A293-T296 HydrophobicContact CB-CG2 3.9Å; A293-T296 WeakPolarHBondContact O-CB 3.15Å; A293-T296 VanDerWaalsContact O-CG2 3.28Å; A293-T296 WeakPolarHBondContact O-CG2 3.44Å; A293-T296 PolarHBondContact O-N 3.33Å; A293-T296 VanDerWaalsContact O-N 3.15Å; A293-T296 PolarHBondContact O-OG1 3.24Å; P294-T296 VanDerWaalsContact C-N 3.31Å; P294-T296 PolarHBondContact O-N 3.44Å; T296-M298 VanDerWaalsContact C-N 3.3Å; T296-M298 PolarHBondContact O-N 3.45Å; T296-H299 WeakPolarHBondContact O-CB 3.29Å; T296-H299 PolarHBondContact O-N 2.88Å; T296-H299 VanDerWaalsContact O-N 3.14Å; T296-H299 PolarHBondContact OG1-N 3.43Å; T296-H300 PolarHBondContact O-N 2.95Å; T296-H300 VanDerWaalsContact O-N 3.09Å; T296-H300 PolarHBondContact O-ND1 3.43Å; T296-H300 VanDerWaalsContact O-ND1 3.1Å
297Y95.1Very high92.1Very high122 Ų12235.9 Ų35.948%0.47820%0.203SC..Hα-helixtrans-55-43.9173.3175-107.4000112.4H299 H300 L301 S320 S321Y297-H299 VanDerWaalsContact C-N 3.31Å; Y297-H299 PolarHBondContact O-N 2.88Å; Y297-H300 PolarHBondContact O-N 3.46Å; Y297-L301 HydrophobicContact CD1-CD1 3.95Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.27Å; Y297-L301 HydrophobicContact CE1-CG 3.92Å; Y297-L301 HydrophobicContact CE2-CD1 4.35Å; Y297-L301 HydrophobicContact CE2-CD2 4.34Å; Y297-L301 HydrophobicContact CE2-CG 4.16Å; Y297-L301 PolarHBondContact O-N 3.41Å; Y297-S320 PolarHBondContact OH-O 3.24Å; Y297-S321 VanDerWaalsContact OH-CA 3.31Å; Y297-S321 WeakPolarHBondContact OH-CA 3.41Å; Y297-S321 VanDerWaalsContact OH-CB 3.3Å; Y297-S321 WeakPolarHBondContact OH-CB 3.33Å
298M94.7Very high92.1Very high56 Ų5635.9 Ų35.928%0.27620%0.203SC..Hα-helixtrans-65.5-32.7177.9-71.1-61.8154.300112.8V283 Y286 L287 P292 T296 L301 K302V283-M298 HydrophobicContact CG1-SD 4.21Å; V283-M298 HydrophobicContact CG2-CE 4.09Å; Y286-M298 HydrophobicContact CE1-CB 4.35Å; L287-M298 WeakPolarHBondContact CD2-O 3.38Å; L287-M298 HydrophobicContact CD2-SD 4.32Å; P292-M298 HydrophobicContact CB-CB 3.77Å; P292-M298 HydrophobicContact CG-CB 4.06Å; T296-M298 VanDerWaalsContact C-N 3.3Å; T296-M298 PolarHBondContact O-N 3.45Å; M298-L301 HydrophobicContact CE-CD1 4.21Å; M298-L301 PolarHBondContact O-N 2.95Å; M298-L301 HydrophobicContact SD-CD1 3.99Å; M298-K302 WeakPolarHBondContact O-CB 3.34Å; M298-K302 PolarHBondContact O-N 3.01Å
299H90.8Very high92.2Very high10 Ų1036 Ų365%0.04620%0.204CC..Hα-helixtrans-66.8-41.6173-171.672.9000112.1P292 A293 T296 Y297 K302 K303P292-H299 HydrophobicContact CB-CB 4.01Å; P292-H299 PolarHBondContact O-ND1 3.38Å; A293-H299 VanDerWaalsContact O-CB 3.29Å; A293-H299 WeakPolarHBondContact O-CB 3.4Å; T296-H299 WeakPolarHBondContact O-CB 3.29Å; T296-H299 PolarHBondContact O-N 2.88Å; T296-H299 VanDerWaalsContact O-N 3.14Å; T296-H299 PolarHBondContact OG1-N 3.43Å; Y297-H299 VanDerWaalsContact C-N 3.31Å; Y297-H299 PolarHBondContact O-N 2.88Å; H299-K302 PolarHBondContact O-N 3.46Å; H299-K303 WeakPolarHBondContact NE2-CE 3.24Å; H299-K303 PolarHBondContact O-N 3Å; H299-K303 VanDerWaalsContact O-N 3.13Å
300H93.3Very high92.1Very high81 Ų8135.8 Ų35.838%0.37520%0.203SC..Hα-helixtrans-64.1-42.5174.2-64.1126.2000111.9G295 T296 Y297 K302 K303 Y304 Y334G295-H300 PolarHBondContact O-CE1 2.94Å; G295-H300 VanDerWaalsContact O-CE1 3.31Å; T296-H300 PolarHBondContact O-N 2.95Å; T296-H300 VanDerWaalsContact O-N 3.09Å; T296-H300 PolarHBondContact O-ND1 3.43Å; T296-H300 VanDerWaalsContact O-ND1 3.1Å; Y297-H300 PolarHBondContact O-N 3.46Å; H300-K302 VanDerWaalsContact C-N 3.33Å; H300-K302 PolarHBondContact O-N 3.06Å; H300-K303 PolarHBondContact O-N 3.49Å; H300-Y304 WeakPolarHBondContact O-CB 3.27Å; H300-Y304 PolarHBondContact O-N 2.85Å; H300-Y334 HydrophobicContact CB-CD1 4.28Å
301L95.5Very high92.1Very high4 Ų440.4 Ų40.42%0.02123%0.225CC..Hα-helixtrans-62.2-39.1173.3-74.7-176.4000112.4V283 L287 Y297 M298 K303 Y304 H305 S320V283-L301 HydrophobicContact CG1-CD1 4.43Å; L287-L301 HydrophobicContact CD1-CB 4Å; L287-L301 HydrophobicContact CD2-CB 3.84Å; Y297-L301 HydrophobicContact CD1-CD1 3.95Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.27Å; Y297-L301 HydrophobicContact CE1-CG 3.92Å; Y297-L301 HydrophobicContact CE2-CD1 4.35Å; Y297-L301 HydrophobicContact CE2-CD2 4.34Å; Y297-L301 HydrophobicContact CE2-CG 4.16Å; Y297-L301 PolarHBondContact O-N 3.41Å; M298-L301 HydrophobicContact CE-CD1 4.21Å; M298-L301 PolarHBondContact O-N 2.95Å; M298-L301 HydrophobicContact SD-CD1 3.99Å; L301-K303 PolarHBondContact O-N 2.95Å; L301-Y304 PolarHBondContact O-N 3.22Å; L301-H305 WeakPolarHBondContact O-CB 3.27Å; L301-H305 PolarHBondContact O-N 3.46Å; L301-S320 WeakPolarHBondContact CD1-O 3.28Å
302K93.4Very high92.3Very high4 Ų438.4 Ų38.42%0.01722%0.217CC..Hα-helixtrans-57.9-50.5176.5178.2167-173.9171.10110.3L287 G290 P292 M298 H299 H300 Y304 H305 Y306L287-K302 HydrophobicContact CD2-CB 4.09Å; L287-K302 VanDerWaalsContact O-CD 3.25Å; L287-K302 WeakPolarHBondContact O-CD 3.14Å; L287-K302 WeakPolarHBondContact O-CE 3.43Å; L287-K302 WeakPolarHBondContact O-CG 3.45Å; G290-K302 PolarHBondContact O-NZ 3.38Å; P292-K302 HydrophobicContact CG-CB 4.37Å; P292-K302 HydrophobicContact CG-CD 4.23Å; M298-K302 WeakPolarHBondContact O-CB 3.34Å; M298-K302 PolarHBondContact O-N 3.01Å; H299-K302 PolarHBondContact O-N 3.46Å; H300-K302 VanDerWaalsContact C-N 3.33Å; H300-K302 PolarHBondContact O-N 3.06Å; K302-Y304 PolarHBondContact O-N 3.25Å; K302-H305 PolarHBondContact O-N 2.67Å; K302-Y306 HydrophobicContact CD-CE2 4.43Å; K302-Y306 HydrophobicContact CG-CD2 3.92Å; K302-Y306 HydrophobicContact CG-CE2 3.86Å; K302-Y306 WeakPolarHBondContact O-CB 3.45Å; K302-Y306 WeakPolarHBondContact O-CD2 3.21Å; K302-Y306 PolarHBondContact O-N 3.31Å
303K91.8Very high92.4Very high40 Ų4039.6 Ų39.617%0.17422%0.222CC..Hα-helixtrans-61.6-42.6175.8-66-174.1169.2-148.80113.1H299 H300 L301 Y306 N307 Y334 Q335H299-K303 WeakPolarHBondContact NE2-CE 3.24Å; H299-K303 PolarHBondContact O-N 3Å; H299-K303 VanDerWaalsContact O-N 3.13Å; H300-K303 PolarHBondContact O-N 3.49Å; L301-K303 PolarHBondContact O-N 2.95Å; K303-Y306 PolarHBondContact O-N 2.91Å; K303-N307 PolarHBondContact O-N 3.18Å; K303-N307 PolarHBondContact O-ND2 3.34Å; K303-Y334 WeakPolarHBondContact CD-O 3.35Å; K303-Q335 PolarHBondContact NZ-OXT 2.86Å
304Y95.4Very high92.7Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-60.3-47.7179.7-170.7-106.1000111.6H300 L301 K302 N307 H308 A316 A322 D325 V331 G332 S333 Y334H300-Y304 WeakPolarHBondContact O-CB 3.27Å; H300-Y304 PolarHBondContact O-N 2.85Å; L301-Y304 PolarHBondContact O-N 3.22Å; K302-Y304 PolarHBondContact O-N 3.25Å; Y304-N307 PolarHBondContact O-N 2.85Å; Y304-H308 PolarHBondContact O-N 3.38Å; Y304-A316 HydrophobicContact CD1-CB 3.64Å; Y304-A316 HydrophobicContact CD2-CB 4.24Å; Y304-A316 VanDerWaalsContact CE1-CA 3.48Å; Y304-A316 HydrophobicContact CE1-CB 3.24Å; Y304-A316 HydrophobicContact CE2-CB 3.89Å; Y304-A316 HydrophobicContact CG-CB 4.12Å; Y304-A316 WeakPolarHBondContact OH-CA 3.49Å; Y304-A322 HydrophobicContact CE1-CB 3.84Å; Y304-A322 HydrophobicContact CE2-CB 4.43Å; Y304-D325 WeakPolarHBondContact CE1-OD2 3.45Å; Y304-D325 VanDerWaalsContact OH-CB 3.24Å; Y304-D325 WeakPolarHBondContact OH-CB 3.39Å; Y304-D325 PolarHBondContact OH-OD2 3.43Å; Y304-V331 HydrophobicContact CE2-CG1 4.34Å; Y304-V331 WeakPolarHBondContact OH-CA 3.26Å; Y304-G332 PolarHBondContact OH-N 3.34Å; Y304-G332 VanDerWaalsContact OH-N 3.16Å; Y304-S333 WeakPolarHBondContact CA-O 3.49Å; Y304-Y334 AromaticContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD2 4.1Å; Y304-Y334 AromaticContact CD2-CE1 3.52Å; Y304-Y334 HydrophobicContact CD2-CE1 3.52Å; Y304-Y334 AromaticContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CG 4.06Å; Y304-Y334 AromaticContact CD2-CZ 3.58Å; Y304-Y334 HydrophobicContact CE2-CD2 4.46Å; Y304-Y334 HydrophobicContact CE2-CE1 4.21Å; Y304-Y334 AromaticContact CE2-CE2 3.92Å; Y304-Y334 HydrophobicContact CE2-CE2 3.92Å; Y304-Y334 AromaticContact CE2-CZ 3.79Å; Y304-Y334 HydrophobicContact CG-CD1 4.2Å; Y304-Y334 AromaticContact CG-CE1 3.87Å; Y304-Y334 HydrophobicContact CG-CE1 3.87Å
305H96.1Very high93.2Very high1 Ų141.4 Ų41.41%0.00521%0.212CC..Hα-helixtrans-73.2-32.9178-171.361000113H284 L287 H288 L301 K302 N307 H308 H309H284-H305 AromaticContact CD2-CD2 3.95Å; H284-H305 AromaticContact CD2-CE1 3.92Å; H284-H305 AromaticContact CD2-NE2 3.33Å; H284-H305 PolarHBondContact CD2-NE2 2.7Å; H284-H305 VanDerWaalsContact CD2-NE2 3.33Å; H284-H305 AromaticContact NE2-CE1 3.59Å; H284-H305 AromaticContact NE2-NE2 3.05Å; H284-H305 PolarHBondContact NE2-NE2 3.5Å; L287-H305 HydrophobicContact CD1-CB 3.91Å; H288-H305 AromaticContact CD2-CD2 3.89Å; H288-H305 AromaticContact CD2-NE2 3.84Å; H288-H305 AromaticContact CE1-CD2 3.96Å; H288-H305 AromaticContact CE1-NE2 3.87Å; H288-H305 AromaticContact NE2-CD2 3.23Å; H288-H305 PolarHBondContact NE2-CD2 3.28Å; H288-H305 AromaticContact NE2-NE2 2.97Å; H288-H305 PolarHBondContact NE2-NE2 2.91Å; L301-H305 WeakPolarHBondContact O-CB 3.27Å; L301-H305 PolarHBondContact O-N 3.46Å; K302-H305 PolarHBondContact O-N 2.67Å; H305-N307 VanDerWaalsContact C-N 3.34Å; H305-N307 PolarHBondContact O-N 3.23Å; H305-H308 VanDerWaalsContact O-CB 3.24Å; H305-H308 WeakPolarHBondContact O-CB 3.22Å; H305-H308 PolarHBondContact O-N 2.95Å; H305-H309 AromaticContact CD2-CD2 3.73Å; H305-H309 AromaticContact CD2-NE2 3.9Å; H305-H309 AromaticContact CE1-CD2 3.71Å; H305-H309 AromaticContact CE1-NE2 3.45Å; H305-H309 PolarHBondContact CE1-NE2 3.1Å; H305-H309 AromaticContact NE2-CD2 3.29Å; H305-H309 PolarHBondContact NE2-CD2 2.82Å; H305-H309 VanDerWaalsContact NE2-CD2 3.29Å; H305-H309 AromaticContact NE2-NE2 3.01Å; H305-H309 PolarHBondContact NE2-NE2 3.05Å; H305-H309 PolarHBondContact O-CD2 2.9Å; H305-H309 PolarHBondContact O-N 3.22Å
306Y92.6Very high93.7Very high5 Ų538.9 Ų38.92%0.0219%0.185CC..Hα-helixtrans-66.7-36.1171.7-90.3-120.7000111.8L37 P39 M234 L287 H288 K302 K303 H308 H309 F310L37-Y306 PolarHBondContact O-OH 2.95Å; P39-Y306 HydrophobicContact CB-CD1 3.28Å; P39-Y306 HydrophobicContact CB-CE1 3.73Å; P39-Y306 HydrophobicContact CB-CG 3.86Å; P39-Y306 HydrophobicContact CG-CD1 3.45Å; P39-Y306 VanDerWaalsContact CG-CD1 3.45Å; P39-Y306 HydrophobicContact CG-CE1 3.82Å; P39-Y306 HydrophobicContact CG-CG 4.43Å; M234-Y306 HydrophobicContact CE-CE1 3.7Å; M234-Y306 WeakPolarHBondContact CE-OH 3.37Å; L287-Y306 WeakPolarHBondContact O-CE2 3.42Å; H288-Y306 PolarHBondContact O-OH 3.28Å; H288-Y306 VanDerWaalsContact O-OH 3.1Å; K302-Y306 HydrophobicContact CD-CE2 4.43Å; K302-Y306 HydrophobicContact CG-CD2 3.92Å; K302-Y306 HydrophobicContact CG-CE2 3.86Å; K302-Y306 WeakPolarHBondContact O-CB 3.45Å; K302-Y306 WeakPolarHBondContact O-CD2 3.21Å; K302-Y306 PolarHBondContact O-N 3.31Å; K303-Y306 PolarHBondContact O-N 2.91Å; Y306-H308 PolarHBondContact O-N 3.4Å; Y306-H309 PolarHBondContact O-N 2.9Å; Y306-H309 VanDerWaalsContact O-N 3.15Å; Y306-F310 AromaticContact CD1-CD2 3.64Å; Y306-F310 HydrophobicContact CD1-CD2 3.64Å; Y306-F310 AromaticContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CZ 4.49Å; Y306-F310 HydrophobicContact CE1-CD2 4.49Å; Y306-F310 AromaticContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CG-CD2 4.1Å; Y306-F310 AromaticContact CG-CE2 3.99Å; Y306-F310 HydrophobicContact CG-CE2 3.99Å; Y306-F310 WeakPolarHBondContact O-CB 3.48Å; Y306-F310 VanDerWaalsContact O-CD2 3.24Å; Y306-F310 WeakPolarHBondContact O-CD2 3.28Å; Y306-F310 PolarHBondContact O-N 2.89Å
307N92.8Very high93.9Very high22 Ų2236.8 Ų36.812%0.11817%0.171CC..Hα-helixtrans-62.2-33.5171.9-85.6-72.1000112K303 Y304 H305 N311 N312 S333 Q335K303-N307 PolarHBondContact O-N 3.18Å; K303-N307 PolarHBondContact O-ND2 3.34Å; Y304-N307 PolarHBondContact O-N 2.85Å; H305-N307 VanDerWaalsContact C-N 3.34Å; H305-N307 PolarHBondContact O-N 3.23Å; N307-N311 HydrophobicContact CB-CB 4.39Å; N307-N311 CarbonylContact O-C 3.46Å; N307-N311 WeakPolarHBondContact O-CA 3.46Å; N307-N311 VanDerWaalsContact O-CB 3.26Å; N307-N311 WeakPolarHBondContact O-CB 3.14Å; N307-N311 PolarHBondContact O-N 3.38Å; N307-N311 PolarHBondContact OD1-ND2 3.27Å; N307-N311 VanDerWaalsContact OD1-ND2 3.11Å; N307-N312 PolarHBondContact O-N 2.97Å; N307-S333 PolarHBondContact ND2-O 2.88Å; N307-S333 VanDerWaalsContact ND2-O 3.15Å; N307-Q335 PolarHBondContact ND2-O 3.2Å
308H95.5Very high94Very high0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-60-46.9171173.582.2000111.9H203 H208 H230 Y304 H305 Y306 N312 Q313 K315 A316H203-H308 AromaticContact CE1-CD2 3.99Å; H203-H308 AromaticContact CE1-CE1 3.76Å; H203-H308 AromaticContact CE1-NE2 3.46Å; H203-H308 PolarHBondContact CE1-NE2 3.21Å; H203-H308 AromaticContact NE2-CE1 3.6Å; H203-H308 AromaticContact NE2-NE2 3.15Å; H203-H308 PolarHBondContact NE2-NE2 3.31Å; H203-H308 VanDerWaalsContact NE2-NE2 3.15Å; H208-H308 AromaticContact CD2-CE1 3.77Å; H208-H308 AromaticContact CD2-NE2 3.99Å; H208-H308 AromaticContact CE1-CE1 3.56Å; H208-H308 AromaticContact CE1-NE2 3.53Å; H208-H308 AromaticContact NE2-CE1 3.03Å; H208-H308 PolarHBondContact NE2-CE1 3.21Å; H208-H308 AromaticContact NE2-NE2 2.93Å; H208-H308 PolarHBondContact NE2-NE2 2.82Å; H230-H308 AromaticContact CE1-CD2 3.49Å; H230-H308 PolarHBondContact CE1-CD2 2.78Å; H230-H308 VanDerWaalsContact CE1-CD2 3.49Å; H230-H308 AromaticContact CE1-NE2 3.16Å; H230-H308 PolarHBondContact CE1-NE2 3.23Å; H230-H308 AromaticContact NE2-CD2 3.91Å; H230-H308 AromaticContact NE2-NE2 3.28Å; H230-H308 PolarHBondContact NE2-NE2 3.39Å; Y304-H308 PolarHBondContact O-N 3.38Å; H305-H308 VanDerWaalsContact O-CB 3.24Å; H305-H308 WeakPolarHBondContact O-CB 3.22Å; H305-H308 PolarHBondContact O-N 2.95Å; Y306-H308 PolarHBondContact O-N 3.4Å; H308-N312 CarbonylContact O-C 3.58Å; H308-Q313 PolarHBondContact CE1-O 2.91Å; H308-Q313 VanDerWaalsContact CE1-O 3.24Å; H308-Q313 WeakPolarHBondContact O-CA 3.42Å; H308-Q313 PolarHBondContact O-N 3.5Å; H308-K315 PolarHBondContact ND1-O 3.42Å; H308-A316 HydrophobicContact CB-CB 4.04Å
309H93.5Very high94.2Very high4 Ų428.4 Ų28.42%0.01914%0.136CC..Hα-helixtrans-71.5-43.3179.5-83-80.8000114.9H229 H230 H288 H305 Y306H229-H309 AromaticContact CD2-CE1 3.39Å; H229-H309 PolarHBondContact CD2-CE1 3.34Å; H229-H309 AromaticContact CD2-NE2 3.72Å; H229-H309 AromaticContact CE1-CE1 3.86Å; H229-H309 AromaticContact CE1-NE2 3.98Å; H229-H309 AromaticContact NE2-CE1 3.11Å; H229-H309 PolarHBondContact NE2-CE1 3.27Å; H229-H309 AromaticContact NE2-NE2 3.08Å; H229-H309 PolarHBondContact NE2-NE2 3.39Å; H230-H309 AromaticContact CE1-CE1 3.85Å; H230-H309 AromaticContact CE1-ND1 3.76Å; H230-H309 AromaticContact ND1-CE1 3.95Å; H230-H309 AromaticContact ND1-ND1 3.56Å; H230-H309 AromaticContact NE2-CE1 3.98Å; H288-H309 AromaticContact CE1-CD2 3.48Å; H288-H309 PolarHBondContact CE1-CD2 3.42Å; H288-H309 VanDerWaalsContact CE1-CD2 3.48Å; H288-H309 AromaticContact CE1-CE1 3.97Å; H288-H309 AromaticContact CE1-NE2 3.39Å; H288-H309 PolarHBondContact CE1-NE2 2.88Å; H288-H309 AromaticContact NE2-CD2 3.72Å; H288-H309 AromaticContact NE2-NE2 3.33Å; H288-H309 PolarHBondContact NE2-NE2 3.49Å; H305-H309 AromaticContact CD2-CD2 3.73Å; H305-H309 AromaticContact CD2-NE2 3.9Å; H305-H309 AromaticContact CE1-CD2 3.71Å; H305-H309 AromaticContact CE1-NE2 3.45Å; H305-H309 PolarHBondContact CE1-NE2 3.1Å; H305-H309 AromaticContact NE2-CD2 3.29Å; H305-H309 PolarHBondContact NE2-CD2 2.82Å; H305-H309 VanDerWaalsContact NE2-CD2 3.29Å; H305-H309 AromaticContact NE2-NE2 3.01Å; H305-H309 PolarHBondContact NE2-NE2 3.05Å; H305-H309 PolarHBondContact O-CD2 2.9Å; H305-H309 PolarHBondContact O-N 3.22Å; Y306-H309 PolarHBondContact O-N 2.9Å; Y306-H309 VanDerWaalsContact O-N 3.15Å
310F90.6Very high94.5Very high27 Ų2729.3 Ų29.312%0.11814%0.143CC..Hα-helixtrans-109.2-10.9-164.2-61.8-72.5000114.3S71 I77 P127 P233 M234 Y306S71-F310 WeakPolarHBondContact CB-O 3.41Å; S71-F310 PolarHBondContact OG-O 3.18Å; I77-F310 HydrophobicContact CD1-CD1 4.2Å; I77-F310 HydrophobicContact CD1-CE1 3.73Å; P127-F310 HydrophobicContact CB-CD1 4.21Å; P127-F310 HydrophobicContact CB-CE1 3.64Å; P127-F310 HydrophobicContact CG-CD1 3.81Å; P127-F310 HydrophobicContact CG-CE1 3.69Å; P233-F310 HydrophobicContact CB-CZ 4.44Å; P233-F310 HydrophobicContact CG-CE1 4.17Å; P233-F310 HydrophobicContact CG-CZ 3.72Å; M234-F310 HydrophobicContact CE-CE2 4.26Å; M234-F310 HydrophobicContact CE-CZ 3.88Å; Y306-F310 AromaticContact CD1-CD2 3.64Å; Y306-F310 HydrophobicContact CD1-CD2 3.64Å; Y306-F310 AromaticContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CZ 4.49Å; Y306-F310 HydrophobicContact CE1-CD2 4.49Å; Y306-F310 AromaticContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CG-CD2 4.1Å; Y306-F310 AromaticContact CG-CE2 3.99Å; Y306-F310 HydrophobicContact CG-CE2 3.99Å; Y306-F310 WeakPolarHBondContact O-CB 3.48Å; Y306-F310 VanDerWaalsContact O-CD2 3.24Å; Y306-F310 WeakPolarHBondContact O-CD2 3.28Å; Y306-F310 PolarHBondContact O-N 2.89Å
311N88.5Confident94.7Very high107 Ų10726.3 Ų26.357%0.57213%0.131SC*.THydrogen-bonded Turntrans-124.6-59.4-175.3-168.94.2000112.1N307N307-N311 HydrophobicContact CB-CB 4.39Å; N307-N311 CarbonylContact O-C 3.46Å; N307-N311 WeakPolarHBondContact O-CA 3.46Å; N307-N311 VanDerWaalsContact O-CB 3.26Å; N307-N311 WeakPolarHBondContact O-CB 3.14Å; N307-N311 PolarHBondContact O-N 3.38Å; N307-N311 PolarHBondContact OD1-ND2 3.27Å; N307-N311 VanDerWaalsContact OD1-ND2 3.11Å
312N92Very high94.8Very high62 Ų6226.4 Ų26.433%0.33213%0.133SC..  trans-149.2101.7-178.9-171.7-13.1000112.5N307 H308 H314 K315N307-N312 PolarHBondContact O-N 2.97Å; H308-N312 CarbonylContact O-C 3.58Å; N312-H314 PolarHBondContact O-N 3.42Å; N312-H314 WeakPolarHBondContact OD1-CB 3.36Å; N312-H314 PolarHBondContact OD1-N 2.85Å; N312-K315 PolarHBondContact O-N 3.18Å
313Q93Very high95Very high28 Ų2831.1 Ų31.113%0.13116%0.157CC..THydrogen-bonded Turntrans-69.5-7.6178.674.1-132.535.100114.8W121 H125 H308 K315W121-Q313 VanDerWaalsContact CE2-NE2 3.34Å; W121-Q313 HydrophobicContact CZ2-CG 4.37Å; H125-Q313 PolarHBondContact CD2-NE2 3.27Å; H125-Q313 VanDerWaalsContact CD2-NE2 3.29Å; H125-Q313 PolarHBondContact CD2-OE1 3.49Å; H125-Q313 VanDerWaalsContact CD2-OE1 3.22Å; H125-Q313 PolarHBondContact CE1-NE2 3.43Å; H125-Q313 PolarHBondContact ND1-NE2 3.43Å; H125-Q313 PolarHBondContact NE2-NE2 3.16Å; H308-Q313 PolarHBondContact CE1-O 2.91Å; H308-Q313 VanDerWaalsContact CE1-O 3.24Å; H308-Q313 WeakPolarHBondContact O-CA 3.42Å; H308-Q313 PolarHBondContact O-N 3.5Å; Q313-K315 VanDerWaalsContact C-N 3.29Å
314H95Very high95.3Very high90 Ų9032 Ų3242%0.41716%0.159SC..THydrogen-bonded Turntrans-909.4177.9-58.7-66.2000113.5W121 N312 Y317W121-H314 AromaticContact CZ2-CE1 3.87Å; N312-H314 PolarHBondContact O-N 3.42Å; N312-H314 WeakPolarHBondContact OD1-CB 3.36Å; N312-H314 PolarHBondContact OD1-N 2.85Å; H314-Y317 VanDerWaalsContact CA-OH 3.31Å; H314-Y317 WeakPolarHBondContact CA-OH 3.39Å; H314-Y317 WeakPolarHBondContact O-CE2 3.22Å; H314-Y317 PolarHBondContact O-OH 2.63Å
315K96.4Very high95.5Very high95 Ų9532 Ų3241%0.41316%0.159SC..SBendtrans-138.7169.7179.6-66.7-173.4164.4-155.10110.1H308 N312 Q313 T330 V331H308-K315 PolarHBondContact ND1-O 3.42Å; N312-K315 PolarHBondContact O-N 3.18Å; Q313-K315 VanDerWaalsContact C-N 3.29Å; K315-T330 CarbonylContact C-O 3.55Å; K315-T330 WeakPolarHBondContact CA-O 3.44Å; K315-T330 WeakPolarHBondContact CB-O 3.4Å; K315-V331 WeakPolarHBondContact CD-O 3.29Å
316A97.5Very high95.6Very high1 Ų138.8 Ų38.81%0.00819%0.186CC..  trans58.651.7175.100000113.8Y304 H308 G318 D325 T330Y304-A316 HydrophobicContact CD1-CB 3.64Å; Y304-A316 HydrophobicContact CD2-CB 4.24Å; Y304-A316 VanDerWaalsContact CE1-CA 3.48Å; Y304-A316 HydrophobicContact CE1-CB 3.24Å; Y304-A316 HydrophobicContact CE2-CB 3.89Å; Y304-A316 HydrophobicContact CG-CB 4.12Å; Y304-A316 WeakPolarHBondContact OH-CA 3.49Å; H308-A316 HydrophobicContact CB-CB 4.04Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-D325 WeakPolarHBondContact CA-OD2 3.43Å; A316-T330 PolarHBondContact N-O 3.28Å
317Y98.1Very high95.8Very high14 Ų1442.8 Ų42.86%0.05521%0.211CC..  trans-76.7-21.4178.4-60.3-72.1000112.6Y200 H203 R204 H208 H314 I319 D325 T330Y200-Y317 HydrophobicContact CE2-CD2 4.17Å; Y200-Y317 HydrophobicContact CE2-CG 4.49Å; H203-Y317 PolarHBondContact ND1-O 3.02Å; R204-Y317 HydrophobicContact CB-CD1 3.87Å; R204-Y317 HydrophobicContact CB-CD2 3.98Å; R204-Y317 HydrophobicContact CB-CE1 4.1Å; R204-Y317 HydrophobicContact CB-CE2 4.21Å; R204-Y317 HydrophobicContact CB-CG 3.79Å; R204-Y317 HydrophobicContact CG-CD1 4.3Å; R204-Y317 HydrophobicContact CG-CD2 3.93Å; R204-Y317 HydrophobicContact CG-CE1 4.09Å; R204-Y317 HydrophobicContact CG-CE2 3.69Å; R204-Y317 HydrophobicContact CG-CG 4.21Å; H208-Y317 HydrophobicContact CB-CE1 4.15Å; H208-Y317 AromaticContact CD2-CE1 3.78Å; H208-Y317 AromaticContact CG-CE1 3.96Å; H314-Y317 VanDerWaalsContact CA-OH 3.31Å; H314-Y317 WeakPolarHBondContact CA-OH 3.39Å; H314-Y317 WeakPolarHBondContact O-CE2 3.22Å; H314-Y317 PolarHBondContact O-OH 2.63Å; Y317-I319 PolarHBondContact O-N 2.87Å; Y317-D325 PolarHBondContact N-OD1 3.25Å; Y317-D325 PolarHBondContact N-OD2 2.85Å; Y317-T330 HydrophobicContact CD2-CG2 4.05Å; Y317-T330 HydrophobicContact CE2-CG2 3.79Å
318G97.9Very high96.1Very high1 Ų145.5 Ų45.51%0.0122%0.222CC..  trans-74.5117.1174.300000111.8A316 S321 D325A316-G318 VanDerWaalsContact C-N 3.33Å; G318-S321 CarbonylContact C-O 3.55Å; G318-S321 WeakPolarHBondContact CA-O 3.46Å; G318-D325 PolarHBondContact N-OD2 3.31Å
319I97.9Very high96.2Very high1 Ų148.7 Ų48.71%0.00525%0.254CS..SBendtrans-93.1-47.7178.8-66.5171.6000110E199 Y280 H284 L287 Y317E199-I319 WeakPolarHBondContact OE1-CA 3.15Å; E199-I319 WeakPolarHBondContact OE1-CB 3.33Å; E199-I319 PolarHBondContact OE1-N 2.65Å; Y280-I319 HydrophobicContact CD2-CB 4.05Å; Y280-I319 HydrophobicContact CD2-CG2 4.18Å; Y280-I319 HydrophobicContact CE2-CB 3.78Å; Y280-I319 HydrophobicContact CE2-CD1 3.5Å; Y280-I319 VanDerWaalsContact CE2-CD1 3.5Å; Y280-I319 HydrophobicContact CE2-CG1 4.12Å; Y280-I319 HydrophobicContact CE2-CG2 4.04Å; H284-I319 HydrophobicContact CB-CG2 3.72Å; L287-I319 HydrophobicContact CD1-CG2 4.24Å; Y317-I319 PolarHBondContact O-N 2.87Å
320S97.7Very high96.4Very high29 Ų2949 Ų4920%0.20326%0.256CS..SBendtrans-73.4-33.1177.7-550000112.2E199 Y297 L301E199-S320 PolarHBondContact OE1-N 2.82Å; E199-S320 VanDerWaalsContact OE2-CB 3.27Å; E199-S320 WeakPolarHBondContact OE2-CB 3.44Å; E199-S320 PolarHBondContact OE2-OG 3.38Å; Y297-S320 PolarHBondContact OH-O 3.24Å; L301-S320 WeakPolarHBondContact CD1-O 3.28Å
321S97.6Very high96.7Very high17 Ų1749.6 Ų49.612%0.11926%0.262CS..  trans-162.9154.7175.578.10000111.8Y297 G318 I323Y297-S321 VanDerWaalsContact OH-CA 3.31Å; Y297-S321 WeakPolarHBondContact OH-CA 3.41Å; Y297-S321 VanDerWaalsContact OH-CB 3.3Å; Y297-S321 WeakPolarHBondContact OH-CB 3.33Å; G318-S321 CarbonylContact C-O 3.55Å; G318-S321 WeakPolarHBondContact CA-O 3.46Å; S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.36Å
322A97.5Very high97.1Very high7 Ų745.3 Ų45.36%0.05824%0.243CC..SBendtrans-82.85.3175.400000114Y304 W324 D325 Y326 Y334Y304-A322 HydrophobicContact CE1-CB 3.84Å; Y304-A322 HydrophobicContact CE2-CB 4.43Å; A322-W324 VanDerWaalsContact C-N 3.31Å; A322-W324 PolarHBondContact O-N 3.3Å; A322-D325 WeakPolarHBondContact O-CB 3.28Å; A322-D325 PolarHBondContact O-N 2.93Å; A322-Y326 HydrophobicContact CB-CD2 4.16Å; A322-Y326 HydrophobicContact CB-CE2 3.98Å; A322-Y326 VanDerWaalsContact O-CD2 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.9Å; A322-Y334 VanDerWaalsContact CB-OH 3.31Å; A322-Y334 WeakPolarHBondContact CB-OH 3.48Å
323I97.9Very high97Very high103 Ų10344.2 Ų44.253%0.52824%0.24SC..Hα-helixtrans-53.5-49.2-172.5-66.3172.6000110.9S321 D325 Y326 V327S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.36Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3Å; I323-Y326 PolarHBondContact O-N 2.93Å; I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.71Å
324W98.5Very high96.8Very high57 Ų5746.8 Ų46.822%0.21625%0.25CC..Hα-helixtrans-72.3-27.8-179.1-57.6118.6000113S196 L197 Y200 A322 Y326 V327 F328S196-W324 PolarHBondContact O-NE1 2.95Å; S196-W324 PolarHBondContact OG-NE1 2.97Å; L197-W324 HydrophobicContact CB-CH2 4.48Å; L197-W324 HydrophobicContact CB-CZ2 3.85Å; L197-W324 HydrophobicContact CD1-CD2 3.61Å; L197-W324 HydrophobicContact CD1-CE3 3.61Å; L197-W324 HydrophobicContact CD1-CG 4.24Å; L197-W324 HydrophobicContact CD1-CH2 3.97Å; L197-W324 HydrophobicContact CD1-CZ2 3.97Å; L197-W324 HydrophobicContact CD1-CZ3 3.8Å; L197-W324 HydrophobicContact CG-CZ2 4.4Å; Y200-W324 HydrophobicContact CD1-CB 4.17Å; Y200-W324 HydrophobicContact CD2-CB 3.45Å; Y200-W324 VanDerWaalsContact CD2-CB 3.45Å; Y200-W324 HydrophobicContact CE2-CB 4.12Å; Y200-W324 HydrophobicContact CG-CB 3.48Å; Y200-W324 VanDerWaalsContact CG-CB 3.48Å; Y200-W324 HydrophobicContact CG-CG 4.33Å; A322-W324 VanDerWaalsContact C-N 3.31Å; A322-W324 PolarHBondContact O-N 3.3Å; W324-Y326 VanDerWaalsContact C-N 3.33Å; W324-V327 HydrophobicContact CE3-CB 4.17Å; W324-V327 HydrophobicContact CE3-CG1 4.28Å; W324-V327 HydrophobicContact CE3-CG2 4.1Å; W324-V327 HydrophobicContact CZ3-CG2 4.39Å; W324-V327 PolarHBondContact O-N 3.34Å; W324-F328 HydrophobicContact CB-CD2 4.14Å; W324-F328 HydrophobicContact CB-CE2 4.33Å; W324-F328 AromaticContact CE3-CE2 3.9Å; W324-F328 HydrophobicContact CE3-CE2 3.9Å; W324-F328 WeakPolarHBondContact O-CB 3.34Å; W324-F328 WeakPolarHBondContact O-CD2 3.49Å; W324-F328 PolarHBondContact O-N 3.11Å
325D98.6Very high96Very high0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-64.4-38170.4-73.1-55.9000112.1Y200 Y304 A316 Y317 G318 A322 I323 G329 T330 V331Y200-D325 WeakPolarHBondContact CE2-OD1 3.5Å; Y304-D325 WeakPolarHBondContact CE1-OD2 3.45Å; Y304-D325 VanDerWaalsContact OH-CB 3.24Å; Y304-D325 WeakPolarHBondContact OH-CB 3.39Å; Y304-D325 PolarHBondContact OH-OD2 3.43Å; A316-D325 WeakPolarHBondContact CA-OD2 3.43Å; Y317-D325 PolarHBondContact N-OD1 3.25Å; Y317-D325 PolarHBondContact N-OD2 2.85Å; G318-D325 PolarHBondContact N-OD2 3.31Å; A322-D325 WeakPolarHBondContact O-CB 3.28Å; A322-D325 PolarHBondContact O-N 2.93Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3Å; D325-G329 CarbonylContact O-C 3.56Å; D325-G329 WeakPolarHBondContact O-CA 3.34Å; D325-G329 PolarHBondContact O-N 3.03Å; D325-T330 WeakPolarHBondContact CA-OG1 3.49Å; D325-T330 PolarHBondContact O-N 3.22Å; D325-T330 WeakPolarHBondContact OD1-CB 3.21Å; D325-T330 PolarHBondContact OD1-OG1 3.41Å; D325-V331 HydrophobicContact CB-CG2 4.28Å; D325-V331 WeakPolarHBondContact O-CG2 3.46Å
326Y98Very high95.9Very high145 Ų14547.7 Ų47.757%0.56926%0.257SS*.Hα-helixtrans-65.9-46.3172.6-78.6-78.7000111.4A322 I323 W324 F328 V331A322-Y326 HydrophobicContact CB-CD2 4.16Å; A322-Y326 HydrophobicContact CB-CE2 3.98Å; A322-Y326 VanDerWaalsContact O-CD2 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.9Å; I323-Y326 PolarHBondContact O-N 2.93Å; W324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 3.05Å; Y326-V331 HydrophobicContact CD1-CG2 3.51Å; Y326-V331 HydrophobicContact CD2-CG2 4.19Å; Y326-V331 HydrophobicContact CE1-CG1 4.1Å; Y326-V331 HydrophobicContact CE1-CG2 3.78Å; Y326-V331 HydrophobicContact CE2-CG1 4.46Å; Y326-V331 HydrophobicContact CE2-CG2 4.41Å; Y326-V331 HydrophobicContact CG-CG2 3.72Å
327V98.2Very high95.9Very high88 Ų8850.1 Ų50.153%0.53327%0.27SS..Hα-helixtrans-61-40.5179.9172.60000111.9I323 W324I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.71Å; W324-V327 HydrophobicContact CE3-CB 4.17Å; W324-V327 HydrophobicContact CE3-CG1 4.28Å; W324-V327 HydrophobicContact CE3-CG2 4.1Å; W324-V327 HydrophobicContact CZ3-CG2 4.39Å; W324-V327 PolarHBondContact O-N 3.34Å
328F98.2Very high95.7Very high80 Ų8052.1 Ų52.135%0.35128%0.282SS..THydrogen-bonded Turntrans-105.110.3-174.2-63.8-66.9000114.4L197 Y200 F201 W324 Y326L197-F328 HydrophobicContact CD1-CE2 3.92Å; L197-F328 HydrophobicContact CD1-CZ 4.29Å; Y200-F328 AromaticContact CD1-CD2 3.7Å; Y200-F328 HydrophobicContact CD1-CD2 3.7Å; Y200-F328 AromaticContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CE1-CB 3.95Å; Y200-F328 AromaticContact CE1-CD2 3.29Å; Y200-F328 HydrophobicContact CE1-CD2 3.29Å; Y200-F328 AromaticContact CE1-CE2 3.98Å; Y200-F328 HydrophobicContact CE1-CE2 3.98Å; Y200-F328 AromaticContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE2-CD2 4.43Å; Y200-F328 HydrophobicContact CG-CD2 4.44Å; Y200-F328 AromaticContact CZ-CD2 3.72Å; Y200-F328 WeakPolarHBondContact OH-CB 3.22Å; F201-F328 HydrophobicContact CE2-CE2 4.41Å; F201-F328 HydrophobicContact CE2-CZ 4.25Å; F201-F328 HydrophobicContact CZ-CE1 4.32Å; F201-F328 HydrophobicContact CZ-CE2 4.15Å; F201-F328 AromaticContact CZ-CZ 3.75Å; F201-F328 HydrophobicContact CZ-CZ 3.75Å; W324-F328 HydrophobicContact CB-CD2 4.14Å; W324-F328 HydrophobicContact CB-CE2 4.33Å; W324-F328 AromaticContact CE3-CE2 3.9Å; W324-F328 HydrophobicContact CE3-CE2 3.9Å; W324-F328 WeakPolarHBondContact O-CB 3.34Å; W324-F328 WeakPolarHBondContact O-CD2 3.49Å; W324-F328 PolarHBondContact O-N 3.11Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 3.05Å
329G97.8Very high95.6Very high66 Ų6655.1 Ų55.168%0.6830%0.298SS*.THydrogen-bonded Turntrans70.630.3172.700000115.5D325D325-G329 CarbonylContact O-C 3.56Å; D325-G329 WeakPolarHBondContact O-CA 3.34Å; D325-G329 PolarHBondContact O-N 3.03Å
330T98Very high95.5Very high10 Ų1058.5 Ų58.56%0.06132%0.316CS..  trans-113.523.9-179.553.20000113.7Y200 K315 A316 Y317 D325 G332Y200-T330 WeakPolarHBondContact CE2-OG1 3.19Å; Y200-T330 WeakPolarHBondContact OH-CG2 3.38Å; Y200-T330 PolarHBondContact OH-OG1 3.33Å; K315-T330 CarbonylContact C-O 3.55Å; K315-T330 WeakPolarHBondContact CA-O 3.44Å; K315-T330 WeakPolarHBondContact CB-O 3.4Å; A316-T330 PolarHBondContact N-O 3.28Å; Y317-T330 HydrophobicContact CD2-CG2 4.05Å; Y317-T330 HydrophobicContact CE2-CG2 3.79Å; D325-T330 WeakPolarHBondContact CA-OG1 3.49Å; D325-T330 PolarHBondContact O-N 3.22Å; D325-T330 WeakPolarHBondContact OD1-CB 3.21Å; D325-T330 PolarHBondContact OD1-OG1 3.41Å; T330-G332 PolarHBondContact O-N 3.12Å
331V97.6Very high95.3Very high40 Ų4060.5 Ų60.524%0.24232%0.324CS..  trans-58.5124.4-179.4-173.40000111.5Y304 K315 D325 Y326Y304-V331 HydrophobicContact CE2-CG1 4.34Å; Y304-V331 WeakPolarHBondContact OH-CA 3.26Å; K315-V331 WeakPolarHBondContact CD-O 3.29Å; D325-V331 HydrophobicContact CB-CG2 4.28Å; D325-V331 WeakPolarHBondContact O-CG2 3.46Å; Y326-V331 HydrophobicContact CD1-CG2 3.51Å; Y326-V331 HydrophobicContact CD2-CG2 4.19Å; Y326-V331 HydrophobicContact CE1-CG1 4.1Å; Y326-V331 HydrophobicContact CE1-CG2 3.78Å; Y326-V331 HydrophobicContact CE2-CG1 4.46Å; Y326-V331 HydrophobicContact CE2-CG2 4.41Å; Y326-V331 HydrophobicContact CG-CG2 3.72Å
332G94.9Very high95.2Very high17 Ų1763.6 Ų63.618%0.17534%0.338CS..  trans-89.6-167175.100000114.3Y304 T330Y304-G332 PolarHBondContact OH-N 3.34Å; Y304-G332 VanDerWaalsContact OH-N 3.16Å; T330-G332 PolarHBondContact O-N 3.12Å
333S91.7Very high95Very high39 Ų3967.9 Ų67.927%0.27336%0.36SS..  trans-92143.8177.8-178.10000111.3Y304 N307 Q335Y304-S333 WeakPolarHBondContact CA-O 3.49Å; N307-S333 PolarHBondContact ND2-O 2.88Å; N307-S333 VanDerWaalsContact ND2-O 3.15Å; S333-Q335 WeakPolarHBondContact OG-CB 3.46Å; S333-Q335 PolarHBondContact OG-N 3.02Å; S333-Q335 VanDerWaalsContact OG-N 3.12Å
334Y87.1Confident94.7Very high83 Ų8365 Ų6533%0.32535%0.346SS..  trans-99.14.8170.1-68.5-85.3000113.1H300 K303 Y304 A322H300-Y334 HydrophobicContact CB-CD1 4.28Å; K303-Y334 WeakPolarHBondContact CD-O 3.35Å; Y304-Y334 AromaticContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD2 4.1Å; Y304-Y334 AromaticContact CD2-CE1 3.52Å; Y304-Y334 HydrophobicContact CD2-CE1 3.52Å; Y304-Y334 AromaticContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CG 4.06Å; Y304-Y334 AromaticContact CD2-CZ 3.58Å; Y304-Y334 HydrophobicContact CE2-CD2 4.46Å; Y304-Y334 HydrophobicContact CE2-CE1 4.21Å; Y304-Y334 AromaticContact CE2-CE2 3.92Å; Y304-Y334 HydrophobicContact CE2-CE2 3.92Å; Y304-Y334 AromaticContact CE2-CZ 3.79Å; Y304-Y334 HydrophobicContact CG-CD1 4.2Å; Y304-Y334 AromaticContact CG-CE1 3.87Å; Y304-Y334 HydrophobicContact CG-CE1 3.87Å; A322-Y334 VanDerWaalsContact CB-OH 3.31Å; A322-Y334 WeakPolarHBondContact CB-OH 3.48Å
335Q78.4Confident94.4Very high155 Ų15565.7 Ų65.772%0.72436%0.358SS*.  trans-77.10-174.3-68.5-174.4-17.800112.1K303 N307 S333K303-Q335 PolarHBondContact NZ-OXT 2.86Å; N307-Q335 PolarHBondContact ND2-O 3.2Å; S333-Q335 WeakPolarHBondContact OG-CB 3.46Å; S333-Q335 PolarHBondContact OG-N 3.02Å; S333-Q335 VanDerWaalsContact OG-N 3.12Å

Retrieved 335 of 335 residues in 558.4 ms (Link to these results)