A0A077Z425_TRITR Loading...

Sphingomyelin synthase protein 1

AlphaFold DB , UniProt , Accession A0A077Z425, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 436 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
1M63.8Low86.7Confident246 Ų24692.6 Ų92.6100%1.21246%0.464SS*.  0146.20-93.3157.8151.500107.7
2K78.9Confident87.2Confident117 Ų11784.9 Ų84.951%0.50943%0.426SS..  trans-60.9144.8169.9-65.9178.7-173.9167.30108.8E6 W7 D11K2-E6 HydrophobicContact CB-CB 4.42Å; K2-W7 PolarHBondContact O-NE1 2.69Å; K2-D11 IonicContact NZ-OD1 3.35Å; K2-D11 PolarHBondContact NZ-OD1 2.78Å; K2-D11 IonicContact NZ-OD2 2.61Å; K2-D11 PolarHBondContact NZ-OD2 2.94Å
3S85.2Confident87.7Confident54 Ų5479.9 Ų79.938%0.37841%0.406SS..  trans-59.4146.3170.2176.10000109.2E5 E6S3-E5 PolarHBondContact O-N 3.34Å; S3-E5 VanDerWaalsContact O-N 3.13Å; S3-E5 PolarHBondContact OG-N 2.8Å; S3-E6 PolarHBondContact N-OE2 2.94Å; S3-E6 WeakPolarHBondContact O-CB 3.33Å; S3-E6 PolarHBondContact O-N 2.96Å
4V86.9Confident88Confident17 Ų1778.8 Ų78.810%0.10341%0.414CS..G310 helixtrans-55.6-31.5176.6-177.30000111.1E6 W7 G36 L40 L70V4-E6 PolarHBondContact O-N 2.9Å; V4-W7 HydrophobicContact CB-CD2 4.4Å; V4-W7 HydrophobicContact CB-CZ2 4.48Å; V4-W7 HydrophobicContact CG1-CD2 4.08Å; V4-W7 HydrophobicContact CG1-CE3 3.94Å; V4-W7 HydrophobicContact CG1-CH2 4.42Å; V4-W7 HydrophobicContact CG1-CZ3 4.11Å; V4-W7 HydrophobicContact CG2-CH2 4.16Å; V4-W7 HydrophobicContact CG2-CZ2 3.82Å; V4-W7 WeakPolarHBondContact O-CB 3.12Å; V4-W7 PolarHBondContact O-N 3.43Å; V4-G36 CarbonylContact O-C 3.53Å; V4-G36 VanDerWaalsContact O-CA 3.23Å; V4-G36 WeakPolarHBondContact O-CA 3.49Å; V4-L40 HydrophobicContact CB-CD1 4.07Å; V4-L40 HydrophobicContact CG1-CD1 3.73Å; V4-L40 HydrophobicContact CG1-CD2 4.03Å; V4-L40 HydrophobicContact CG1-CG 3.81Å; V4-L70 HydrophobicContact CG1-CD1 4.42Å; V4-L70 HydrophobicContact CG1-CD2 3.89Å; V4-L70 HydrophobicContact CG1-CG 4.17Å; V4-L70 HydrophobicContact CG2-CD1 3.95Å; V4-L70 HydrophobicContact CG2-CG 4.38Å
5E86Confident88.4Confident107 Ų10775.3 Ų75.350%0.539%0.393SS..G310 helixtrans-66.4-21.6176.7-63.2-179.3166.300113.9S3 L40 K74S3-E5 PolarHBondContact O-N 3.34Å; S3-E5 VanDerWaalsContact O-N 3.13Å; S3-E5 PolarHBondContact OG-N 2.8Å; E5-L40 HydrophobicContact CG-CD1 4.13Å; E5-K74 VanDerWaalsContact OE1-CE 3.28Å; E5-K74 WeakPolarHBondContact OE1-CE 3.3Å; E5-K74 IonicContact OE1-NZ 3.29Å; E5-K74 PolarHBondContact OE1-NZ 2.95Å
6E88.1Confident88.8Confident133 Ų13370.6 Ų70.662%0.62137%0.369SS*.G310 helixtrans-95.52.8-179.9-60.1174.715700112.3K2 S3 V4 S8K2-E6 HydrophobicContact CB-CB 4.42Å; S3-E6 PolarHBondContact N-OE2 2.94Å; S3-E6 WeakPolarHBondContact O-CB 3.33Å; S3-E6 PolarHBondContact O-N 2.96Å; V4-E6 PolarHBondContact O-N 2.9Å; E6-S8 PolarHBondContact O-N 3.11Å
7W93.6Very high89Confident46 Ų4670.6 Ų70.617%0.17437%0.373CS..  trans-69.6124.9178.7-70.77.5000110.4K2 V4 D11 V12 W15 G36 L39 L70K2-W7 PolarHBondContact O-NE1 2.69Å; V4-W7 HydrophobicContact CB-CD2 4.4Å; V4-W7 HydrophobicContact CB-CZ2 4.48Å; V4-W7 HydrophobicContact CG1-CD2 4.08Å; V4-W7 HydrophobicContact CG1-CE3 3.94Å; V4-W7 HydrophobicContact CG1-CH2 4.42Å; V4-W7 HydrophobicContact CG1-CZ3 4.11Å; V4-W7 HydrophobicContact CG2-CH2 4.16Å; V4-W7 HydrophobicContact CG2-CZ2 3.82Å; V4-W7 WeakPolarHBondContact O-CB 3.12Å; V4-W7 PolarHBondContact O-N 3.43Å; W7-D11 HydrophobicContact CB-CB 3.73Å; W7-D11 HydrophobicContact CD2-CB 4.45Å; W7-D11 HydrophobicContact CG-CB 3.91Å; W7-V12 HydrophobicContact CB-CG2 4.18Å; W7-V12 HydrophobicContact CE3-CG2 4.3Å; W7-W15 HydrophobicContact CE3-CB 4.47Å; W7-W15 HydrophobicContact CH2-CB 4.22Å; W7-W15 AromaticContact CH2-CD1 3.66Å; W7-W15 AromaticContact CH2-CG 3.95Å; W7-W15 HydrophobicContact CH2-CG 3.95Å; W7-W15 HydrophobicContact CZ3-CB 3.74Å; W7-W15 AromaticContact CZ3-CD1 3.79Å; W7-W15 HydrophobicContact CZ3-CD2 4.2Å; W7-W15 AromaticContact CZ3-CG 3.6Å; W7-W15 HydrophobicContact CZ3-CG 3.6Å; W7-G36 PolarHBondContact O-N 2.88Å; W7-L39 HydrophobicContact CE3-CD2 4.49Å; W7-L39 HydrophobicContact CZ3-CD2 4.44Å; W7-L70 HydrophobicContact CH2-CD1 3.65Å; W7-L70 HydrophobicContact CH2-CD2 4.36Å; W7-L70 HydrophobicContact CZ3-CD1 4.08Å; W7-L70 HydrophobicContact CZ3-CD2 3.93Å
8S92.6Very high89.1Confident47 Ų4774.4 Ų74.433%0.32939%0.393SS..  trans-71.5168.8167.767.30000111E6 E10 D11 V12E6-S8 PolarHBondContact O-N 3.11Å; S8-E10 PolarHBondContact O-N 3.46Å; S8-E10 VanDerWaalsContact O-N 3.13Å; S8-E10 PolarHBondContact OG-N 2.78Å; S8-D11 WeakPolarHBondContact CB-OD2 3.42Å; S8-D11 PolarHBondContact N-OD2 3.15Å; S8-D11 PolarHBondContact O-N 3.32Å; S8-D11 PolarHBondContact OG-N 3.07Å; S8-D11 PolarHBondContact OG-OD2 3.39Å; S8-V12 WeakPolarHBondContact O-CG2 3.43Å; S8-V12 PolarHBondContact O-N 3.08Å
9T92.6Very high89.2Confident50 Ų5073.5 Ų73.531%0.30739%0.387SS..Hα-helixtrans-56.7-26.717359.50000113.4A13 C29 K33T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.48Å; T9-C29 PolarHBondContact O-SG 2.85Å; T9-K33 HydrophobicContact CG2-CB 4.35Å
10E92.7Very high89.3Confident154 Ų15473 Ų7372%0.7240%0.4SS*.Hα-helixtrans-76-40.8175.3-64.3177.3-178.800111.9S8 V12 A13 A14S8-E10 PolarHBondContact O-N 3.46Å; S8-E10 VanDerWaalsContact O-N 3.13Å; S8-E10 PolarHBondContact OG-N 2.78Å; E10-V12 VanDerWaalsContact C-N 3.32Å; E10-A13 WeakPolarHBondContact O-CB 3.4Å; E10-A13 PolarHBondContact O-N 3.35Å; E10-A14 PolarHBondContact O-N 3.42Å
11D93.4Very high89.4Confident48 Ų4870.1 Ų70.126%0.25738%0.383SS..Hα-helixtrans-63.1-41.4174.6-60.3-66000110K2 W7 S8 A14 W15K2-D11 IonicContact NZ-OD1 3.35Å; K2-D11 PolarHBondContact NZ-OD1 2.78Å; K2-D11 IonicContact NZ-OD2 2.61Å; K2-D11 PolarHBondContact NZ-OD2 2.94Å; W7-D11 HydrophobicContact CB-CB 3.73Å; W7-D11 HydrophobicContact CD2-CB 4.45Å; W7-D11 HydrophobicContact CG-CB 3.91Å; S8-D11 WeakPolarHBondContact CB-OD2 3.42Å; S8-D11 PolarHBondContact N-OD2 3.15Å; S8-D11 PolarHBondContact O-N 3.32Å; S8-D11 PolarHBondContact OG-N 3.07Å; S8-D11 PolarHBondContact OG-OD2 3.39Å; D11-A14 PolarHBondContact O-N 2.93Å; D11-W15 PolarHBondContact O-N 3.41Å
12V93Very high90.5Very high0 Ų065.2 Ų65.20%036%0.357CS..Hα-helixtrans-64.1-41.5173.6175.10000111.7W7 S8 E10 A14 W15 L16 L39W7-V12 HydrophobicContact CB-CG2 4.18Å; W7-V12 HydrophobicContact CE3-CG2 4.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.43Å; S8-V12 PolarHBondContact O-N 3.08Å; E10-V12 VanDerWaalsContact C-N 3.32Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.38Å; V12-W15 PolarHBondContact O-N 3.13Å; V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 2.71Å; V12-L39 HydrophobicContact CG1-CD1 3.89Å; V12-L39 HydrophobicContact CG1-CD2 4Å; V12-L39 HydrophobicContact CG1-CG 4.41Å; V12-L39 HydrophobicContact CG2-CD2 4.17Å
13A92.8Very high91Very high20 Ų2065.5 Ų65.517%0.16536%0.361CS..Hα-helixtrans-60.7-42.7176.700000111.6T9 E10 L16 V17 V25 C29T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.48Å; E10-A13 WeakPolarHBondContact O-CB 3.4Å; E10-A13 PolarHBondContact O-N 3.35Å; A13-L16 PolarHBondContact O-N 2.86Å; A13-V17 WeakPolarHBondContact O-CG2 3.28Å; A13-V17 PolarHBondContact O-N 3.3Å; A13-V17 VanDerWaalsContact O-N 3.12Å; A13-V25 HydrophobicContact CB-CG1 3.59Å; A13-C29 HydrophobicContact CB-CB 4.27Å
14A92.7Very high91.2Very high64 Ų6463.3 Ų63.353%0.52934%0.344SS..Hα-helixtrans-63.4-42.9175.800000112E10 D11 V12 V17 D18E10-A14 PolarHBondContact O-N 3.42Å; D11-A14 PolarHBondContact O-N 2.93Å; V12-A14 VanDerWaalsContact C-N 3.32Å; V12-A14 PolarHBondContact O-N 3.38Å; A14-V17 PolarHBondContact O-N 3.45Å; A14-D18 PolarHBondContact O-N 3.48Å
15W94Very high91.4Very high26 Ų2663.3 Ų63.310%0.09834%0.344CS..Hα-helixtrans-62.6-42.5175.7177.381000112.5W7 D11 V12 V17 D18 E19 L39 L63 A66 L67 L70W7-W15 HydrophobicContact CE3-CB 4.47Å; W7-W15 HydrophobicContact CH2-CB 4.22Å; W7-W15 AromaticContact CH2-CD1 3.66Å; W7-W15 AromaticContact CH2-CG 3.95Å; W7-W15 HydrophobicContact CH2-CG 3.95Å; W7-W15 HydrophobicContact CZ3-CB 3.74Å; W7-W15 AromaticContact CZ3-CD1 3.79Å; W7-W15 HydrophobicContact CZ3-CD2 4.2Å; W7-W15 AromaticContact CZ3-CG 3.6Å; W7-W15 HydrophobicContact CZ3-CG 3.6Å; D11-W15 PolarHBondContact O-N 3.41Å; V12-W15 PolarHBondContact O-N 3.13Å; W15-V17 VanDerWaalsContact C-N 3.28Å; W15-V17 PolarHBondContact O-N 3.31Å; W15-D18 PolarHBondContact O-N 2.93Å; W15-E19 HydrophobicContact CD2-CG 4.33Å; W15-E19 HydrophobicContact CH2-CG 4.41Å; W15-E19 HydrophobicContact CZ2-CG 3.77Å; W15-E19 PolarHBondContact O-N 3.29Å; W15-L39 HydrophobicContact CE3-CD2 3.96Å; W15-L39 HydrophobicContact CZ3-CD1 4.34Å; W15-L39 HydrophobicContact CZ3-CD2 4.05Å; W15-L63 HydrophobicContact CZ3-CD1 4.33Å; W15-A66 HydrophobicContact CH2-CB 3.8Å; W15-A66 HydrophobicContact CZ2-CB 4.01Å; W15-L67 HydrophobicContact CH2-CD2 3.94Å; W15-L67 HydrophobicContact CH2-CG 4.4Å; W15-L67 HydrophobicContact CZ3-CD2 4.09Å; W15-L70 HydrophobicContact CD2-CD2 4.41Å; W15-L70 HydrophobicContact CH2-CD2 4.35Å; W15-L70 HydrophobicContact CZ2-CB 4.04Å; W15-L70 HydrophobicContact CZ2-CD2 3.95Å; W15-L70 HydrophobicContact CZ2-CG 4.43Å
16L93.8Very high91.6Very high0 Ų061.9 Ų61.90%034%0.34CS..Hα-helixtrans-60.8-38.5176-76.2171.8000111.8V12 A13 G20 F21 V25 L28 L63V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 2.71Å; A13-L16 PolarHBondContact O-N 2.86Å; L16-G20 PolarHBondContact O-N 3.19Å; L16-F21 HydrophobicContact CB-CB 4.36Å; L16-F21 HydrophobicContact CD2-CB 3.98Å; L16-F21 HydrophobicContact CD2-CD2 4.49Å; L16-F21 CarbonylContact O-C 3.5Å; L16-F21 WeakPolarHBondContact O-CA 3.49Å; L16-F21 PolarHBondContact O-N 3.39Å; L16-V25 HydrophobicContact CB-CG2 3.82Å; L16-V25 HydrophobicContact CD1-CG2 4.18Å; L16-L28 HydrophobicContact CD1-CB 4.15Å; L16-L28 HydrophobicContact CD1-CD1 3.81Å; L16-L28 HydrophobicContact CD2-CD1 4.07Å; L16-L63 HydrophobicContact CD2-CD1 3.63Å
17V92Very high91.7Very high72 Ų7257.1 Ų57.144%0.43632%0.319SS..Hα-helixtrans-65.8-43.8175.7173.40000111.1A13 A14 W15 E19 G20 E22 V25A13-V17 WeakPolarHBondContact O-CG2 3.28Å; A13-V17 PolarHBondContact O-N 3.3Å; A13-V17 VanDerWaalsContact O-N 3.12Å; A14-V17 PolarHBondContact O-N 3.45Å; W15-V17 VanDerWaalsContact C-N 3.28Å; W15-V17 PolarHBondContact O-N 3.31Å; V17-E19 PolarHBondContact O-N 2.93Å; V17-G20 PolarHBondContact O-N 2.94Å; V17-E22 HydrophobicContact CG2-CB 4.22Å; V17-E22 HydrophobicContact CG2-CG 4.18Å; V17-V25 HydrophobicContact CG2-CG2 4.04Å
18D91.4Very high91.6Very high139 Ų13955 Ų5574%0.74331%0.311SS*.Hα-helixtrans-63.2-40.1179.4-166.757.5000112.5A14 W15 G20A14-D18 PolarHBondContact O-N 3.48Å; W15-D18 PolarHBondContact O-N 2.93Å; D18-G20 PolarHBondContact O-N 3.41Å
19E91.2Very high91.6Very high57 Ų5753.1 Ų53.127%0.26630%0.298SS..THydrogen-bonded Turntrans-78.1-0.9174.6-75.3-71.6146.400113.7W15 V17 F21 A66 R69W15-E19 HydrophobicContact CD2-CG 4.33Å; W15-E19 HydrophobicContact CH2-CG 4.41Å; W15-E19 HydrophobicContact CZ2-CG 3.77Å; W15-E19 PolarHBondContact O-N 3.29Å; V17-E19 PolarHBondContact O-N 2.93Å; E19-F21 HydrophobicContact CB-CD2 3.77Å; E19-F21 HydrophobicContact CB-CE2 3.86Å; E19-F21 WeakPolarHBondContact O-CE2 3.48Å; E19-A66 HydrophobicContact CG-CB 4.32Å; E19-R69 IonicContact OE1-NH1 3.02Å; E19-R69 PolarHBondContact OE1-NH1 3.24Å; E19-R69 IonicContact OE2-CZ 3.44Å; E19-R69 VanDerWaalsContact OE2-CZ 3.29Å; E19-R69 IonicContact OE2-NH1 2.91Å; E19-R69 PolarHBondContact OE2-NH1 3.46Å; E19-R69 VanDerWaalsContact OE2-NH1 3.08Å; E19-R69 IonicContact OE2-NH2 3.56Å; E19-R69 PolarHBondContact OE2-NH2 2.97Å
20G90.7Very high91.3Very high63 Ų6359.5 Ų59.565%0.64932%0.316SS*.THydrogen-bonded Turntrans85.124.4174.300000115.7L16 V17 D18L16-G20 PolarHBondContact O-N 3.19Å; V17-G20 PolarHBondContact O-N 2.94Å; D18-G20 PolarHBondContact O-N 3.41Å
21F91.6Very high91.2Very high12 Ų1258.4 Ų58.45%0.05331%0.311CS..  trans-108.331.5178.2-59.4-77.4000113.7L16 E19 Q23 H24 R62 L63 A66L16-F21 HydrophobicContact CB-CB 4.36Å; L16-F21 HydrophobicContact CD2-CB 3.98Å; L16-F21 HydrophobicContact CD2-CD2 4.49Å; L16-F21 CarbonylContact O-C 3.5Å; L16-F21 WeakPolarHBondContact O-CA 3.49Å; L16-F21 PolarHBondContact O-N 3.39Å; E19-F21 HydrophobicContact CB-CD2 3.77Å; E19-F21 HydrophobicContact CB-CE2 3.86Å; E19-F21 WeakPolarHBondContact O-CE2 3.48Å; F21-Q23 PolarHBondContact O-N 2.98Å; F21-Q23 VanDerWaalsContact O-N 3.08Å; F21-H24 PolarHBondContact O-N 3.15Å; F21-R62 HydrophobicContact CE1-CB 3.84Å; F21-R62 HydrophobicContact CZ-CB 3.64Å; F21-L63 HydrophobicContact CD1-CB 4.08Å; F21-L63 HydrophobicContact CD1-CD1 4.34Å; F21-L63 HydrophobicContact CD2-CD1 3.85Å; F21-L63 HydrophobicContact CE1-CB 3.71Å; F21-L63 HydrophobicContact CE2-CB 4.39Å; F21-L63 HydrophobicContact CE2-CD1 4.06Å; F21-L63 HydrophobicContact CG-CD1 4.01Å; F21-L63 HydrophobicContact CZ-CB 3.9Å; F21-L63 HydrophobicContact CZ-CD1 4.41Å; F21-A66 HydrophobicContact CE2-CB 3.95Å
22E87.8Confident91.2Very high143 Ų14359.2 Ų59.267%0.66831%0.313SS*.G310 helixtrans-48.2-40.6-178.2-176.8176.1-169.800113.4V17 H24 V25V17-E22 HydrophobicContact CG2-CB 4.22Å; V17-E22 HydrophobicContact CG2-CG 4.18Å; E22-H24 PolarHBondContact O-N 2.97Å; E22-V25 WeakPolarHBondContact O-CB 3.3Å; E22-V25 VanDerWaalsContact O-CG2 3.3Å; E22-V25 WeakPolarHBondContact O-CG2 3.29Å; E22-V25 PolarHBondContact O-N 3.25Å; E22-V25 VanDerWaalsContact O-N 3.15Å
23Q89.4Confident91.1Very high123 Ų12366.8 Ų66.858%0.57535%0.346SS*.G310 helixtrans-64.9-19.2-179.970.8-165.912.300115F21 E59F21-Q23 PolarHBondContact O-N 2.98Å; F21-Q23 VanDerWaalsContact O-N 3.08Å; Q23-E59 PolarHBondContact NE2-OE1 2.91Å; Q23-E59 PolarHBondContact NE2-OE2 3.17Å
24H89.8Confident91Very high8 Ų866.3 Ų66.34%0.03734%0.341CS..G310 helixtrans-95.5-6.3178.6-61.1100.3000113.1F21 E22 D26 L27 L28 M54 E59F21-H24 PolarHBondContact O-N 3.15Å; E22-H24 PolarHBondContact O-N 2.97Å; H24-D26 VanDerWaalsContact C-N 3.27Å; H24-D26 PolarHBondContact O-N 2.91Å; H24-L27 PolarHBondContact O-N 3.06Å; H24-L28 HydrophobicContact CB-CD1 3.81Å; H24-L28 HydrophobicContact CB-CG 4.3Å; H24-L28 WeakPolarHBondContact O-CB 3.24Å; H24-L28 WeakPolarHBondContact O-CG 3.23Å; H24-L28 PolarHBondContact O-N 3.45Å; H24-M54 VanDerWaalsContact CD2-CE 3.47Å; H24-M54 WeakPolarHBondContact CD2-CE 3.29Å; H24-M54 WeakPolarHBondContact NE2-CE 3.49Å; H24-E59 IonicContact CE1-OE2 2.75Å; H24-E59 PolarHBondContact CE1-OE2 3.35Å; H24-E59 IonicContact NE2-OE2 3.36Å; H24-E59 PolarHBondContact NE2-OE2 2.98Å
25V90.3Very high91Very high17 Ų1766.6 Ų66.610%0.10333%0.333CS..Hα-helixtrans-59.4-41-179.8173.20000111A13 L16 V17 E22 C29 R30A13-V25 HydrophobicContact CB-CG1 3.59Å; L16-V25 HydrophobicContact CB-CG2 3.82Å; L16-V25 HydrophobicContact CD1-CG2 4.18Å; V17-V25 HydrophobicContact CG2-CG2 4.04Å; E22-V25 WeakPolarHBondContact O-CB 3.3Å; E22-V25 VanDerWaalsContact O-CG2 3.3Å; E22-V25 WeakPolarHBondContact O-CG2 3.29Å; E22-V25 PolarHBondContact O-N 3.25Å; E22-V25 VanDerWaalsContact O-N 3.15Å; V25-C29 HydrophobicContact CG1-CB 4.39Å; V25-C29 WeakPolarHBondContact O-CA 3.49Å; V25-C29 VanDerWaalsContact O-CB 3.24Å; V25-C29 WeakPolarHBondContact O-CB 3.18Å; V25-C29 PolarHBondContact O-N 3.16Å; V25-R30 PolarHBondContact O-N 3.44Å
26D89.9Confident90.9Very high77 Ų7765.3 Ų65.341%0.41233%0.329SS..Iπ-helixtrans-64.4-43178.2-75.8-20.8000112.1H24 R30 Q31H24-D26 VanDerWaalsContact C-N 3.27Å; H24-D26 PolarHBondContact O-N 2.91Å; D26-R30 CarbonylContact O-C 3.58Å; D26-R30 WeakPolarHBondContact O-CA 3.43Å; D26-R30 VanDerWaalsContact O-CB 3.3Å; D26-R30 WeakPolarHBondContact O-CB 3.37Å; D26-R30 PolarHBondContact O-N 3.49Å; D26-R30 WeakPolarHBondContact OD1-CD 3.42Å; D26-R30 IonicContact OD1-CZ 3.57Å; D26-R30 IonicContact OD1-NE 3.12Å; D26-R30 PolarHBondContact OD1-NE 3.46Å; D26-R30 IonicContact OD1-NH1 3.89Å; D26-R30 PolarHBondContact OD1-NH1 3.01Å; D26-R30 IonicContact OD2-NH1 2.64Å; D26-Q31 WeakPolarHBondContact O-CG 3.5Å; D26-Q31 PolarHBondContact O-N 3.35Å
27L91.3Very high90.7Very high33 Ų3372.8 Ų72.817%0.17336%0.357CS..Iπ-helixtrans-69-54.9178.9-179.466.4000111.2H24 Q31 H32 L52 M54H24-L27 PolarHBondContact O-N 3.06Å; L27-Q31 WeakPolarHBondContact O-CB 3.31Å; L27-H32 PolarHBondContact O-CD2 2.94Å; L27-H32 PolarHBondContact O-N 3.29Å; L27-H32 VanDerWaalsContact O-N 3.09Å; L27-L52 WeakPolarHBondContact CD2-O 3.32Å; L27-L52 HydrophobicContact CG-CD2 4.36Å; L27-M54 HydrophobicContact CD2-CG 4.33Å
28L91.1Very high90.5Very high1 Ų171 Ų711%0.00535%0.349CS..Iπ-helixtrans-73.5-48.4-172.4-65.2170.3000111.9L16 H24 H32 K33 I34 L52 L63L16-L28 HydrophobicContact CD1-CB 4.15Å; L16-L28 HydrophobicContact CD1-CD1 3.81Å; L16-L28 HydrophobicContact CD2-CD1 4.07Å; H24-L28 HydrophobicContact CB-CD1 3.81Å; H24-L28 HydrophobicContact CB-CG 4.3Å; H24-L28 WeakPolarHBondContact O-CB 3.24Å; H24-L28 WeakPolarHBondContact O-CG 3.23Å; H24-L28 PolarHBondContact O-N 3.45Å; L28-H32 CarbonylContact O-C 3.55Å; L28-K33 PolarHBondContact O-N 3.02Å; L28-I34 HydrophobicContact CB-CD1 3.98Å; L28-I34 HydrophobicContact CD2-CD1 3.47Å; L28-I34 VanDerWaalsContact CD2-CD1 3.47Å; L28-I34 HydrophobicContact CG-CD1 4.32Å; L28-I34 WeakPolarHBondContact O-CB 3.34Å; L28-I34 WeakPolarHBondContact O-CG1 3.28Å; L28-I34 PolarHBondContact O-N 3.24Å; L28-L52 HydrophobicContact CD2-CD1 3.7Å; L28-L52 HydrophobicContact CD2-CD2 3.79Å; L28-L52 HydrophobicContact CD2-CG 4.37Å; L28-L63 HydrophobicContact CD1-CD2 3.85Å
29C91.2Very high90.5Very high8 Ų864.4 Ų64.45%0.05431%0.314CS..Iπ-helixtrans-90.9-45.1-173.5-57.70000112.6T9 A13 V25 K33T9-C29 PolarHBondContact O-SG 2.85Å; A13-C29 HydrophobicContact CB-CB 4.27Å; V25-C29 HydrophobicContact CG1-CB 4.39Å; V25-C29 WeakPolarHBondContact O-CA 3.49Å; V25-C29 VanDerWaalsContact O-CB 3.24Å; V25-C29 WeakPolarHBondContact O-CB 3.18Å; V25-C29 PolarHBondContact O-N 3.16Å; C29-K33 VanDerWaalsContact O-CA 3.27Å; C29-K33 WeakPolarHBondContact O-CA 3.28Å; C29-K33 PolarHBondContact O-N 2.64Å
30R88Confident90.4Very high184 Ų18462.5 Ų62.569%0.69431%0.306SS*.Iπ-helixtrans-82.9-42.1-175.2-58.7-171.2178.2155-7.2113.3V25 D26V25-R30 PolarHBondContact O-N 3.44Å; D26-R30 CarbonylContact O-C 3.58Å; D26-R30 WeakPolarHBondContact O-CA 3.43Å; D26-R30 VanDerWaalsContact O-CB 3.3Å; D26-R30 WeakPolarHBondContact O-CB 3.37Å; D26-R30 PolarHBondContact O-N 3.49Å; D26-R30 WeakPolarHBondContact OD1-CD 3.42Å; D26-R30 IonicContact OD1-CZ 3.57Å; D26-R30 IonicContact OD1-NE 3.12Å; D26-R30 PolarHBondContact OD1-NE 3.46Å; D26-R30 IonicContact OD1-NH1 3.89Å; D26-R30 PolarHBondContact OD1-NH1 3.01Å; D26-R30 IonicContact OD2-NH1 2.64Å
31Q90Very high90.1Very high131 Ų13165.5 Ų65.561%0.61230%0.303SS*.Iπ-helixtrans-83.3-49.1-179.6-63.1178.114.300112.1D26 L27D26-Q31 WeakPolarHBondContact O-CG 3.5Å; D26-Q31 PolarHBondContact O-N 3.35Å; L27-Q31 WeakPolarHBondContact O-CB 3.31Å
32H92.1Very high89.8Confident66 Ų6665.7 Ų65.731%0.30630%0.304SS..SBendtrans-99.6-3.4-174-66.4-62.3000115.3L27 L28 I34 P51 L52L27-H32 PolarHBondContact O-CD2 2.94Å; L27-H32 PolarHBondContact O-N 3.29Å; L27-H32 VanDerWaalsContact O-N 3.09Å; L28-H32 CarbonylContact O-C 3.55Å; H32-I34 VanDerWaalsContact C-N 3.28Å; H32-I34 HydrophobicContact CB-CD1 4.24Å; H32-I34 HydrophobicContact CB-CG1 4.12Å; H32-I34 PolarHBondContact O-N 3.41Å; H32-P51 PolarHBondContact CE1-O 3.41Å; H32-P51 PolarHBondContact NE2-O 3.11Å; H32-L52 HydrophobicContact CB-CD2 4.12Å; H32-L52 WeakPolarHBondContact CD2-CD2 3.25Å
33K92.1Very high89.6Confident159 Ų15961.9 Ų61.969%0.69129%0.288SS*.  trans52.642.9173.8-58.1-178-179.2179.60113.6T9 L28 C29 D35T9-K33 HydrophobicContact CG2-CB 4.35Å; L28-K33 PolarHBondContact O-N 3.02Å; C29-K33 VanDerWaalsContact O-CA 3.27Å; C29-K33 WeakPolarHBondContact O-CA 3.28Å; C29-K33 PolarHBondContact O-N 2.64Å; K33-D35 PolarHBondContact O-N 3.5Å
34I91.3Very high89.2Confident10 Ų1057.3 Ų57.35%0.05127%0.267CS..  trans-72111179.5-62.9172.4000109L28 H32 A38 L39 L42 L52L28-I34 HydrophobicContact CB-CD1 3.98Å; L28-I34 HydrophobicContact CD2-CD1 3.47Å; L28-I34 VanDerWaalsContact CD2-CD1 3.47Å; L28-I34 HydrophobicContact CG-CD1 4.32Å; L28-I34 WeakPolarHBondContact O-CB 3.34Å; L28-I34 WeakPolarHBondContact O-CG1 3.28Å; L28-I34 PolarHBondContact O-N 3.24Å; H32-I34 VanDerWaalsContact C-N 3.28Å; H32-I34 HydrophobicContact CB-CD1 4.24Å; H32-I34 HydrophobicContact CB-CG1 4.12Å; H32-I34 PolarHBondContact O-N 3.41Å; I34-A38 HydrophobicContact CG2-CB 3.95Å; I34-L39 HydrophobicContact CG2-CB 3.92Å; I34-L39 HydrophobicContact CG2-CD1 4.08Å; I34-L42 HydrophobicContact CD1-CD1 4.15Å; I34-L42 HydrophobicContact CD1-CD2 4.23Å; I34-L42 HydrophobicContact CG2-CD1 4.23Å; I34-L52 HydrophobicContact CD1-CD1 4.43Å; I34-L52 HydrophobicContact CD1-CD2 4.31Å
35D92.3Very high88.6Confident69 Ų6963 Ų6337%0.36929%0.293SS..  trans-87.7178.4170.568.77000110.8K33 R37 A38 L39K33-D35 PolarHBondContact O-N 3.5Å; D35-R37 VanDerWaalsContact C-N 3.27Å; D35-R37 PolarHBondContact O-N 2.78Å; D35-R37 PolarHBondContact OD1-N 3.38Å; D35-A38 PolarHBondContact O-N 3.42Å; D35-A38 VanDerWaalsContact OD1-CB 3.27Å; D35-A38 WeakPolarHBondContact OD1-CB 3.25Å; D35-A38 PolarHBondContact OD1-N 3.18Å; D35-L39 VanDerWaalsContact O-CB 3.25Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 3.27Å
36G92Very high88.4Confident0 Ų065 Ų650%030%0.304CS..Hα-helixtrans-61.3-32.7-176.500000114.7V4 W7 L40V4-G36 CarbonylContact O-C 3.53Å; V4-G36 VanDerWaalsContact O-CA 3.23Å; V4-G36 WeakPolarHBondContact O-CA 3.49Å; W7-G36 PolarHBondContact O-N 2.88Å; G36-L40 VanDerWaalsContact O-CG 3.28Å; G36-L40 WeakPolarHBondContact O-CG 3.22Å; G36-L40 PolarHBondContact O-N 3.48Å; G36-L40 VanDerWaalsContact O-N 3.12Å
37R88.7Confident88.3Confident156 Ų15661.4 Ų61.459%0.58929%0.285SS*.Hα-helixtrans-71.2-47176.2-173.5175.4177.5171.32.9111D35 L39 L40 E41D35-R37 VanDerWaalsContact C-N 3.27Å; D35-R37 PolarHBondContact O-N 2.78Å; D35-R37 PolarHBondContact OD1-N 3.38Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 2.85Å; R37-L40 PolarHBondContact O-N 2.84Å; R37-E41 IonicContact NE-OE1 3.66Å; R37-E41 PolarHBondContact NE-OE1 3.34Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.13Å
38A89Confident87.8Confident34 Ų3465 Ų6528%0.28130%0.296SS..Hα-helixtrans-61.1-41.2174.600000111.4I34 D35 L40 E41 L42I34-A38 HydrophobicContact CG2-CB 3.95Å; D35-A38 PolarHBondContact O-N 3.42Å; D35-A38 VanDerWaalsContact OD1-CB 3.27Å; D35-A38 WeakPolarHBondContact OD1-CB 3.25Å; D35-A38 PolarHBondContact OD1-N 3.18Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.9Å; A38-E41 CarbonylContact O-C 3.6Å; A38-E41 PolarHBondContact O-N 3.33Å; A38-L42 WeakPolarHBondContact O-CG 3.38Å; A38-L42 PolarHBondContact O-N 2.95Å
39L91.7Very high87.2Confident1 Ų169.5 Ų69.51%0.00532%0.32CS..Hα-helixtrans-57.1-42.3176.6-170.475000111.3W7 V12 W15 I34 D35 R37 E41 L42 L67 L70W7-L39 HydrophobicContact CE3-CD2 4.49Å; W7-L39 HydrophobicContact CZ3-CD2 4.44Å; V12-L39 HydrophobicContact CG1-CD1 3.89Å; V12-L39 HydrophobicContact CG1-CD2 4Å; V12-L39 HydrophobicContact CG1-CG 4.41Å; V12-L39 HydrophobicContact CG2-CD2 4.17Å; W15-L39 HydrophobicContact CE3-CD2 3.96Å; W15-L39 HydrophobicContact CZ3-CD1 4.34Å; W15-L39 HydrophobicContact CZ3-CD2 4.05Å; I34-L39 HydrophobicContact CG2-CB 3.92Å; I34-L39 HydrophobicContact CG2-CD1 4.08Å; D35-L39 VanDerWaalsContact O-CB 3.25Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 3.27Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 2.85Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 2.82Å; L39-L42 HydrophobicContact CD1-CD1 4.1Å; L39-L67 HydrophobicContact CD1-CD2 3.49Å; L39-L67 VanDerWaalsContact CD1-CD2 3.49Å; L39-L67 HydrophobicContact CD2-CD2 4.18Å; L39-L67 HydrophobicContact CG-CD2 3.47Å; L39-L67 VanDerWaalsContact CG-CD2 3.47Å; L39-L70 HydrophobicContact CD2-CD2 3.62Å
40L87.7Confident86.6Confident18 Ų1873.5 Ų73.59%0.09435%0.346CS..Hα-helixtrans-72.8-19.4176.5-72.4172.7000113.7V4 E5 G36 R37 A38 L70 R71 K74V4-L40 HydrophobicContact CB-CD1 4.07Å; V4-L40 HydrophobicContact CG1-CD1 3.73Å; V4-L40 HydrophobicContact CG1-CD2 4.03Å; V4-L40 HydrophobicContact CG1-CG 3.81Å; E5-L40 HydrophobicContact CG-CD1 4.13Å; G36-L40 VanDerWaalsContact O-CG 3.28Å; G36-L40 WeakPolarHBondContact O-CG 3.22Å; G36-L40 PolarHBondContact O-N 3.48Å; G36-L40 VanDerWaalsContact O-N 3.12Å; R37-L40 PolarHBondContact O-N 2.84Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.9Å; L40-L70 HydrophobicContact CD2-CG 4.47Å; L40-R71 HydrophobicContact CD2-CG 3.75Å; L40-R71 PolarHBondContact O-NE 2.89Å; L40-R71 PolarHBondContact O-NH2 2.9Å; L40-K74 HydrophobicContact CD1-CD 3.68Å; L40-K74 HydrophobicContact CD2-CD 4.33Å
41E85.8Confident86.3Confident126 Ų12669.1 Ų69.159%0.58934%0.341SS*.Hα-helixtrans-96.9-14.6179.3-71.4176.7-165.900113.1R37 A38 L39 N43R37-E41 IonicContact NE-OE1 3.66Å; R37-E41 PolarHBondContact NE-OE1 3.34Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.13Å; A38-E41 CarbonylContact O-C 3.6Å; A38-E41 PolarHBondContact O-N 3.33Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 2.82Å; E41-N43 PolarHBondContact O-N 3.35Å
42L85.4Confident86.2Confident16 Ų1663.4 Ų63.48%0.08431%0.314CS..  trans-52.6135.8175.4-77.2172.8000111.9I34 A38 L39 D46 L47 L52 W64 L67 R71I34-L42 HydrophobicContact CD1-CD1 4.15Å; I34-L42 HydrophobicContact CD1-CD2 4.23Å; I34-L42 HydrophobicContact CG2-CD1 4.23Å; A38-L42 WeakPolarHBondContact O-CG 3.38Å; A38-L42 PolarHBondContact O-N 2.95Å; L39-L42 HydrophobicContact CD1-CD1 4.1Å; L42-D46 HydrophobicContact CD2-CB 3.95Å; L42-L47 HydrophobicContact CD1-CD2 4.47Å; L42-L52 HydrophobicContact CD2-CD1 4.11Å; L42-W64 WeakPolarHBondContact O-CZ3 3.5Å; L42-L67 HydrophobicContact CB-CD1 4.27Å; L42-L67 HydrophobicContact CD1-CD1 4.17Å; L42-R71 PolarHBondContact O-NH2 2.9Å
43N81.9Confident85.9Confident62 Ų6266.4 Ų66.433%0.33233%0.328SS..  trans-110.3171.4169.967.358.6000111.1E41 Q45 D46E41-N43 PolarHBondContact O-N 3.35Å; N43-Q45 PolarHBondContact O-N 3.47Å; N43-Q45 VanDerWaalsContact OD1-CA 3.29Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.46Å; N43-Q45 VanDerWaalsContact OD1-CB 3.23Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.39Å; N43-Q45 PolarHBondContact OD1-N 2.76Å; N43-D46 VanDerWaalsContact CG-CG 3.48Å; N43-D46 PolarHBondContact N-OD2 3.5Å; N43-D46 VanDerWaalsContact ND2-CG 3.32Å; N43-D46 PolarHBondContact ND2-OD1 3.26Å; N43-D46 PolarHBondContact ND2-OD2 3.5Å; N43-D46 PolarHBondContact O-N 2.79Å; N43-D46 PolarHBondContact OD1-N 2.92Å; N43-D46 PolarHBondContact OD1-OD1 2.8Å; N43-D46 PolarHBondContact OD1-OD2 3.21Å
44E81.7Confident85.6Confident27 Ų2759.3 Ų59.313%0.12630%0.298CS..Hα-helixtrans-64.8-27.8-179.3-165.1-179.4162.800112.7R48 I60 K61 W64E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.42Å; E44-R48 IonicContact OE1-CZ 3.19Å; E44-R48 IonicContact OE1-NE 3.6Å; E44-R48 PolarHBondContact OE1-NE 3.44Å; E44-R48 IonicContact OE1-NH2 3.35Å; E44-R48 PolarHBondContact OE1-NH2 3.27Å; E44-I60 HydrophobicContact CG-CG2 4.15Å; E44-K61 WeakPolarHBondContact OE1-CD 3.34Å; E44-K61 WeakPolarHBondContact OE1-CE 3.46Å; E44-K61 IonicContact OE1-NZ 3.28Å; E44-K61 PolarHBondContact OE1-NZ 3.36Å; E44-K61 IonicContact OE2-NZ 3.46Å; E44-K61 PolarHBondContact OE2-NZ 3.46Å; E44-W64 HydrophobicContact CB-CD2 4.1Å; E44-W64 HydrophobicContact CB-CE3 4.49Å; E44-W64 HydrophobicContact CB-CG 4.38Å; E44-W64 HydrophobicContact CB-CZ2 4.48Å; E44-W64 HydrophobicContact CG-CG 4.34Å
45Q76.4Confident85.2Confident127 Ų12764.4 Ų64.459%0.59333%0.332SS*.Hα-helixtrans-70.8-37.7177.7-59.8-173.9-14.600111.7N43 L47 R48 L49N43-Q45 PolarHBondContact O-N 3.47Å; N43-Q45 VanDerWaalsContact OD1-CA 3.29Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.46Å; N43-Q45 VanDerWaalsContact OD1-CB 3.23Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.39Å; N43-Q45 PolarHBondContact OD1-N 2.76Å; Q45-L47 PolarHBondContact O-N 3.47Å; Q45-R48 PolarHBondContact O-N 3.26Å; Q45-L49 HydrophobicContact CB-CD1 4.34Å; Q45-L49 WeakPolarHBondContact O-CB 3.2Å; Q45-L49 PolarHBondContact O-N 3.16Å
46D86.5Confident84.9Confident61 Ų6164.2 Ų64.233%0.32633%0.333SS..Hα-helixtrans-58-37.4177.3-58.2-32.5000111.1L42 N43 L52L42-D46 HydrophobicContact CD2-CB 3.95Å; N43-D46 VanDerWaalsContact CG-CG 3.48Å; N43-D46 PolarHBondContact N-OD2 3.5Å; N43-D46 VanDerWaalsContact ND2-CG 3.32Å; N43-D46 PolarHBondContact ND2-OD1 3.26Å; N43-D46 PolarHBondContact ND2-OD2 3.5Å; N43-D46 PolarHBondContact O-N 2.79Å; N43-D46 PolarHBondContact OD1-N 2.92Å; N43-D46 PolarHBondContact OD1-OD1 2.8Å; N43-D46 PolarHBondContact OD1-OD2 3.21Å; D46-L52 VanDerWaalsContact O-CB 3.29Å; D46-L52 WeakPolarHBondContact O-CB 3.47Å; D46-L52 WeakPolarHBondContact O-CD1 3.11Å; D46-L52 WeakPolarHBondContact O-CG 3.3Å
47L87.5Confident84.2Confident0 Ų069.3 Ų69.30%036%0.36CS..Hα-helixtrans-69.8-31.6176.6-58.2-178.8000112.8L42 Q45 L52 M54 I60 L63 W64L42-L47 HydrophobicContact CD1-CD2 4.47Å; Q45-L47 PolarHBondContact O-N 3.47Å; L47-L52 HydrophobicContact CD2-CD1 3.76Å; L47-M54 HydrophobicContact CB-SD 3.9Å; L47-M54 HydrophobicContact CD1-SD 4.48Å; L47-M54 HydrophobicContact CD2-SD 3.9Å; L47-M54 HydrophobicContact CG-SD 4.31Å; L47-M54 WeakPolarHBondContact O-CB 3.16Å; L47-M54 PolarHBondContact O-N 2.68Å; L47-I60 HydrophobicContact CB-CG2 3.99Å; L47-I60 HydrophobicContact CD1-CG2 4.1Å; L47-L63 HydrophobicContact CD1-CD2 4.25Å; L47-L63 HydrophobicContact CD1-CG 4.45Å; L47-L63 HydrophobicContact CD2-CD2 3.95Å; L47-W64 HydrophobicContact CD1-CB 4.42Å
48R81.6Confident83.9Confident108 Ų10863.8 Ų63.841%0.40835%0.351SS..Hα-helixtrans-87.8-37.5-174.3-72.9173.2173.4-159.4-6.1113E44 Q45 I60E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.42Å; E44-R48 IonicContact OE1-CZ 3.19Å; E44-R48 IonicContact OE1-NE 3.6Å; E44-R48 PolarHBondContact OE1-NE 3.44Å; E44-R48 IonicContact OE1-NH2 3.35Å; E44-R48 PolarHBondContact OE1-NH2 3.27Å; Q45-R48 PolarHBondContact O-N 3.26Å; R48-I60 HydrophobicContact CG-CD1 3.93Å; R48-I60 HydrophobicContact CG-CG2 4.2Å
49L77.8Confident83.8Confident97 Ų9764.3 Ų64.351%0.50835%0.348SS..SBendtrans-97.6159.4-173.5-62.7177.4000110.3Q45 L52 Q53Q45-L49 HydrophobicContact CB-CD1 4.34Å; Q45-L49 WeakPolarHBondContact O-CB 3.2Å; Q45-L49 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 2.85Å; L49-Q53 PolarHBondContact O-N 2.91Å
50P78.5Confident83.4Confident92 Ų9264.6 Ų64.660%0.59735%0.349SS*.THydrogen-bonded Turntrans-52.8135.2164.2-23.634.3000109.5
51P83.3Confident83.2Confident91 Ų9167.4 Ų67.459%0.59136%0.361SS*.THydrogen-bonded Turncis-97.9-6.623.939.4-39.1000115.9H32H32-P51 PolarHBondContact CE1-O 3.41Å; H32-P51 PolarHBondContact NE2-O 3.11Å
52L87Confident83.3Confident11 Ų1170 Ų706%0.05837%0.365CS..THydrogen-bonded Turntrans-84-50.5179.8-58.6-178.9000112.1L27 L28 H32 I34 L42 D46 L47 L49 M54L27-L52 WeakPolarHBondContact CD2-O 3.32Å; L27-L52 HydrophobicContact CG-CD2 4.36Å; L28-L52 HydrophobicContact CD2-CD1 3.7Å; L28-L52 HydrophobicContact CD2-CD2 3.79Å; L28-L52 HydrophobicContact CD2-CG 4.37Å; H32-L52 HydrophobicContact CB-CD2 4.12Å; H32-L52 WeakPolarHBondContact CD2-CD2 3.25Å; I34-L52 HydrophobicContact CD1-CD1 4.43Å; I34-L52 HydrophobicContact CD1-CD2 4.31Å; L42-L52 HydrophobicContact CD2-CD1 4.11Å; D46-L52 VanDerWaalsContact O-CB 3.29Å; D46-L52 WeakPolarHBondContact O-CB 3.47Å; D46-L52 WeakPolarHBondContact O-CD1 3.11Å; D46-L52 WeakPolarHBondContact O-CG 3.3Å; L47-L52 HydrophobicContact CD2-CD1 3.76Å; L49-L52 PolarHBondContact O-N 2.85Å; L52-M54 PolarHBondContact O-N 2.83Å
53Q85.5Confident83.5Confident129 Ų12969.2 Ų69.260%0.60336%0.361SS*.  trans43.656.5176.5-161.4179.7700113.7L49L49-Q53 PolarHBondContact O-N 2.91Å
54M86.1Confident83.8Confident10 Ų1067.5 Ų67.55%0.04935%0.35CS..  trans-61.4134.7179-70.9170.473.400110.8H24 L27 L47 L52 E59 I60 L63H24-M54 VanDerWaalsContact CD2-CE 3.47Å; H24-M54 WeakPolarHBondContact CD2-CE 3.29Å; H24-M54 WeakPolarHBondContact NE2-CE 3.49Å; L27-M54 HydrophobicContact CD2-CG 4.33Å; L47-M54 HydrophobicContact CB-SD 3.9Å; L47-M54 HydrophobicContact CD1-SD 4.48Å; L47-M54 HydrophobicContact CD2-SD 3.9Å; L47-M54 HydrophobicContact CG-SD 4.31Å; L47-M54 WeakPolarHBondContact O-CB 3.16Å; L47-M54 PolarHBondContact O-N 2.68Å; L52-M54 PolarHBondContact O-N 2.83Å; M54-E59 HydrophobicContact CE-CB 4.15Å; M54-I60 HydrophobicContact CB-CD1 3.87Å; M54-I60 HydrophobicContact CB-CG1 3.55Å; M54-I60 HydrophobicContact CE-CG1 4.13Å; M54-I60 HydrophobicContact CG-CG1 4.37Å; M54-I60 HydrophobicContact SD-CG1 3.97Å; M54-L63 HydrophobicContact CE-CB 4.49Å; M54-L63 HydrophobicContact CE-CD2 3.85Å; M54-L63 HydrophobicContact SD-CD2 3.93Å
55P82Confident83.8Confident118 Ų11868.3 Ų68.377%0.76636%0.361SS*.SBendtrans-78.3-28.4-171.427-32.6000113.9
56V86.8Confident84.4Confident65 Ų6562.3 Ų62.339%0.39433%0.333SS..  trans-107.6112.6-170.1-177.50000111G58 E59 I60V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 3.21Å; V56-E59 HydrophobicContact CB-CB 4.17Å; V56-E59 HydrophobicContact CB-CG 3.95Å; V56-E59 HydrophobicContact CG1-CB 4.35Å; V56-E59 HydrophobicContact CG1-CG 3.84Å; V56-E59 PolarHBondContact O-N 2.65Å; V56-I60 PolarHBondContact O-N 3.35Å; V56-I60 VanDerWaalsContact O-N 3.1Å
57L76.6Confident84.5Confident107 Ų10759.5 Ų59.556%0.5632%0.318SS*.Hα-helixtrans-56.2-37.7179.2-176.367.6000113.3E59 I60 K61L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.15Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 2.98Å
58G82.3Confident84.2Confident40 Ų4060.7 Ų60.741%0.41233%0.325SS..Hα-helixtrans-63.6-33.1178.400000113.1V56 R62V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 3.21Å; G58-R62 VanDerWaalsContact O-CG 3.23Å; G58-R62 WeakPolarHBondContact O-CG 3.37Å; G58-R62 PolarHBondContact O-N 3.21Å; G58-R62 VanDerWaalsContact O-N 3.11Å
59E87.1Confident84.3Confident45 Ų4561 Ų6121%0.2133%0.325CS..Hα-helixtrans-78.8-41.6178.6-66.2171.4177.500111Q23 H24 M54 V56 L57 K61 R62 L63Q23-E59 PolarHBondContact NE2-OE1 2.91Å; Q23-E59 PolarHBondContact NE2-OE2 3.17Å; H24-E59 IonicContact CE1-OE2 2.75Å; H24-E59 PolarHBondContact CE1-OE2 3.35Å; H24-E59 IonicContact NE2-OE2 3.36Å; H24-E59 PolarHBondContact NE2-OE2 2.98Å; M54-E59 HydrophobicContact CE-CB 4.15Å; V56-E59 HydrophobicContact CB-CB 4.17Å; V56-E59 HydrophobicContact CB-CG 3.95Å; V56-E59 HydrophobicContact CG1-CB 4.35Å; V56-E59 HydrophobicContact CG1-CG 3.84Å; V56-E59 PolarHBondContact O-N 2.65Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.15Å; E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 3.29Å; E59-R62 PolarHBondContact O-N 3.1Å; E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.24Å; E59-L63 PolarHBondContact O-N 3.08Å
60I83.8Confident84.8Confident7 Ų756.5 Ų56.54%0.03630%0.302CS..Hα-helixtrans-51.9-50170.4-64.4173.4000110E44 L47 R48 M54 V56 L57 L63 W64E44-I60 HydrophobicContact CG-CG2 4.15Å; L47-I60 HydrophobicContact CB-CG2 3.99Å; L47-I60 HydrophobicContact CD1-CG2 4.1Å; R48-I60 HydrophobicContact CG-CD1 3.93Å; R48-I60 HydrophobicContact CG-CG2 4.2Å; M54-I60 HydrophobicContact CB-CD1 3.87Å; M54-I60 HydrophobicContact CB-CG1 3.55Å; M54-I60 HydrophobicContact CE-CG1 4.13Å; M54-I60 HydrophobicContact CG-CG1 4.37Å; M54-I60 HydrophobicContact SD-CG1 3.97Å; V56-I60 PolarHBondContact O-N 3.35Å; V56-I60 VanDerWaalsContact O-N 3.1Å; L57-I60 PolarHBondContact O-N 2.96Å; I60-L63 PolarHBondContact O-N 2.83Å; I60-W64 WeakPolarHBondContact O-CB 3.23Å; I60-W64 PolarHBondContact O-N 2.7Å
61K84.6Confident85.1Confident76 Ų7655.6 Ų55.633%0.3329%0.287SS..Hα-helixtrans-67-37.7-178.6-74.2-62.5-168.3-174.50113.2E44 L57 E59 A65E44-K61 WeakPolarHBondContact OE1-CD 3.34Å; E44-K61 WeakPolarHBondContact OE1-CE 3.46Å; E44-K61 IonicContact OE1-NZ 3.28Å; E44-K61 PolarHBondContact OE1-NZ 3.36Å; E44-K61 IonicContact OE2-NZ 3.46Å; E44-K61 PolarHBondContact OE2-NZ 3.46Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 2.98Å; E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 3.29Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.11Å
62R86.9Confident84.7Confident180 Ų18057.7 Ų57.768%0.67929%0.289SS*.Hα-helixtrans-70.2-43.1176.9-72.3174-175.8-177.93111.6F21 G58 E59 W64 A65 A66F21-R62 HydrophobicContact CE1-CB 3.84Å; F21-R62 HydrophobicContact CZ-CB 3.64Å; G58-R62 VanDerWaalsContact O-CG 3.23Å; G58-R62 WeakPolarHBondContact O-CG 3.37Å; G58-R62 PolarHBondContact O-N 3.21Å; G58-R62 VanDerWaalsContact O-N 3.11Å; E59-R62 PolarHBondContact O-N 3.1Å; R62-W64 VanDerWaalsContact C-N 3.34Å; R62-A65 PolarHBondContact O-N 3.04Å; R62-A66 PolarHBondContact O-N 3.28Å
63L89.7Confident84.5Confident1 Ų162.6 Ų62.61%0.00531%0.312CS..Hα-helixtrans-64-44.4177.6179.361000109.8W15 L16 F21 L28 L47 M54 E59 I60 A65 A66 L67W15-L63 HydrophobicContact CZ3-CD1 4.33Å; L16-L63 HydrophobicContact CD2-CD1 3.63Å; F21-L63 HydrophobicContact CD1-CB 4.08Å; F21-L63 HydrophobicContact CD1-CD1 4.34Å; F21-L63 HydrophobicContact CD2-CD1 3.85Å; F21-L63 HydrophobicContact CE1-CB 3.71Å; F21-L63 HydrophobicContact CE2-CB 4.39Å; F21-L63 HydrophobicContact CE2-CD1 4.06Å; F21-L63 HydrophobicContact CG-CD1 4.01Å; F21-L63 HydrophobicContact CZ-CB 3.9Å; F21-L63 HydrophobicContact CZ-CD1 4.41Å; L28-L63 HydrophobicContact CD1-CD2 3.85Å; L47-L63 HydrophobicContact CD1-CD2 4.25Å; L47-L63 HydrophobicContact CD1-CG 4.45Å; L47-L63 HydrophobicContact CD2-CD2 3.95Å; M54-L63 HydrophobicContact CE-CB 4.49Å; M54-L63 HydrophobicContact CE-CD2 3.85Å; M54-L63 HydrophobicContact SD-CD2 3.93Å; E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.24Å; E59-L63 PolarHBondContact O-N 3.08Å; I60-L63 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 3.09Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3.05Å; L63-A66 VanDerWaalsContact O-N 3.07Å; L63-L67 HydrophobicContact CD1-CG 4.47Å; L63-L67 HydrophobicContact CG-CD1 4.27Å; L63-L67 HydrophobicContact CG-CG 4.5Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.33Å
64W87.8Confident84.3Confident26 Ų2659.6 Ų59.610%0.09830%0.296CS..Hα-helixtrans-56.4-46.8172.9-174-125.1000111.9L42 E44 L47 I60 R62 A66 L67 L68L42-W64 WeakPolarHBondContact O-CZ3 3.5Å; E44-W64 HydrophobicContact CB-CD2 4.1Å; E44-W64 HydrophobicContact CB-CE3 4.49Å; E44-W64 HydrophobicContact CB-CG 4.38Å; E44-W64 HydrophobicContact CB-CZ2 4.48Å; E44-W64 HydrophobicContact CG-CG 4.34Å; L47-W64 HydrophobicContact CD1-CB 4.42Å; I60-W64 WeakPolarHBondContact O-CB 3.23Å; I60-W64 PolarHBondContact O-N 2.7Å; R62-W64 VanDerWaalsContact C-N 3.34Å; W64-A66 VanDerWaalsContact C-N 3.29Å; W64-A66 PolarHBondContact O-N 3.08Å; W64-L67 HydrophobicContact CE3-CB 4.44Å; W64-L67 HydrophobicContact CE3-CD1 4.14Å; W64-L67 HydrophobicContact CZ3-CD1 4.49Å; W64-L67 PolarHBondContact O-N 2.86Å; W64-L68 HydrophobicContact CD2-CD1 4.25Å; W64-L68 HydrophobicContact CD2-CG 4.32Å; W64-L68 HydrophobicContact CG-CD1 4.16Å; W64-L68 HydrophobicContact CH2-CD2 4.4Å; W64-L68 HydrophobicContact CZ2-CD2 3.99Å; W64-L68 HydrophobicContact CZ2-CG 4.38Å; W64-L68 WeakPolarHBondContact O-CB 3.49Å; W64-L68 WeakPolarHBondContact O-CD1 3.3Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.36Å
65A83.3Confident83.3Confident44 Ų4462.1 Ų62.136%0.36431%0.312SS..Hα-helixtrans-63.1-31.7175.600000113.5K61 R62 L63 R69K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.11Å; R62-A65 PolarHBondContact O-N 3.04Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 3.09Å; A65-R69 WeakPolarHBondContact O-CG 3.32Å; A65-R69 PolarHBondContact O-N 3.4Å; A65-R69 PolarHBondContact O-NE 3.5Å
66A88.2Confident82.8Confident0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-71.2-44.7173.700000111.9W15 E19 F21 R62 L63 W64 L68 R69 L70W15-A66 HydrophobicContact CH2-CB 3.8Å; W15-A66 HydrophobicContact CZ2-CB 4.01Å; E19-A66 HydrophobicContact CG-CB 4.32Å; F21-A66 HydrophobicContact CE2-CB 3.95Å; R62-A66 PolarHBondContact O-N 3.28Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3.05Å; L63-A66 VanDerWaalsContact O-N 3.07Å; W64-A66 VanDerWaalsContact C-N 3.29Å; W64-A66 PolarHBondContact O-N 3.08Å; A66-L68 VanDerWaalsContact C-N 3.27Å; A66-L68 PolarHBondContact O-N 3.48Å; A66-R69 WeakPolarHBondContact O-CB 3.25Å; A66-R69 PolarHBondContact O-N 2.92Å; A66-R69 VanDerWaalsContact O-N 3.17Å; A66-L70 PolarHBondContact O-N 3.12Å
67L88.3Confident81.9Confident2 Ų261.3 Ų61.31%0.0131%0.307CS..Hα-helixtrans-59-39.6174.8-69.8173.7000112W15 L39 L42 L63 W64 L70 R71W15-L67 HydrophobicContact CH2-CD2 3.94Å; W15-L67 HydrophobicContact CH2-CG 4.4Å; W15-L67 HydrophobicContact CZ3-CD2 4.09Å; L39-L67 HydrophobicContact CD1-CD2 3.49Å; L39-L67 VanDerWaalsContact CD1-CD2 3.49Å; L39-L67 HydrophobicContact CD2-CD2 4.18Å; L39-L67 HydrophobicContact CG-CD2 3.47Å; L39-L67 VanDerWaalsContact CG-CD2 3.47Å; L42-L67 HydrophobicContact CB-CD1 4.27Å; L42-L67 HydrophobicContact CD1-CD1 4.17Å; L63-L67 HydrophobicContact CD1-CG 4.47Å; L63-L67 HydrophobicContact CG-CD1 4.27Å; L63-L67 HydrophobicContact CG-CG 4.5Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.33Å; W64-L67 HydrophobicContact CE3-CB 4.44Å; W64-L67 HydrophobicContact CE3-CD1 4.14Å; W64-L67 HydrophobicContact CZ3-CD1 4.49Å; W64-L67 PolarHBondContact O-N 2.86Å; L67-L70 PolarHBondContact O-N 2.92Å; L67-R71 WeakPolarHBondContact O-CG 3.11Å; L67-R71 PolarHBondContact O-N 2.84Å
68L80.8Confident81.3Confident26 Ų2658.7 Ų58.714%0.13630%0.301CS..Hα-helixtrans-66.3-40.7176.2-70.1167000112.6W64 A66 R71 Q72 F98W64-L68 HydrophobicContact CD2-CD1 4.25Å; W64-L68 HydrophobicContact CD2-CG 4.32Å; W64-L68 HydrophobicContact CG-CD1 4.16Å; W64-L68 HydrophobicContact CH2-CD2 4.4Å; W64-L68 HydrophobicContact CZ2-CD2 3.99Å; W64-L68 HydrophobicContact CZ2-CG 4.38Å; W64-L68 WeakPolarHBondContact O-CB 3.49Å; W64-L68 WeakPolarHBondContact O-CD1 3.3Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.36Å; A66-L68 VanDerWaalsContact C-N 3.27Å; A66-L68 PolarHBondContact O-N 3.48Å; L68-R71 PolarHBondContact O-N 3.22Å; L68-Q72 PolarHBondContact O-N 2.95Å; L68-F98 HydrophobicContact CB-CE2 4.33Å; L68-F98 HydrophobicContact CD1-CE2 3.46Å; L68-F98 VanDerWaalsContact CD1-CE2 3.46Å; L68-F98 HydrophobicContact CD1-CZ 3.97Å; L68-F98 HydrophobicContact CD2-CD2 3.76Å; L68-F98 HydrophobicContact CD2-CE2 3.31Å; L68-F98 HydrophobicContact CD2-CZ 4.24Å; L68-F98 HydrophobicContact CG-CE2 3.84Å; L68-F98 HydrophobicContact CG-CZ 4.45Å
69R84.9Confident80Confident113 Ų11360 Ų6043%0.42631%0.308SS..Hα-helixtrans-61.8-44.5172.6-77.1-179.2-76.1140.4-1.7111.2E19 A65 A66 R71 Q72 E73E19-R69 IonicContact OE1-NH1 3.02Å; E19-R69 PolarHBondContact OE1-NH1 3.24Å; E19-R69 IonicContact OE2-CZ 3.44Å; E19-R69 VanDerWaalsContact OE2-CZ 3.29Å; E19-R69 IonicContact OE2-NH1 2.91Å; E19-R69 PolarHBondContact OE2-NH1 3.46Å; E19-R69 VanDerWaalsContact OE2-NH1 3.08Å; E19-R69 IonicContact OE2-NH2 3.56Å; E19-R69 PolarHBondContact OE2-NH2 2.97Å; A65-R69 WeakPolarHBondContact O-CG 3.32Å; A65-R69 PolarHBondContact O-N 3.4Å; A65-R69 PolarHBondContact O-NE 3.5Å; A66-R69 WeakPolarHBondContact O-CB 3.25Å; A66-R69 PolarHBondContact O-N 2.92Å; A66-R69 VanDerWaalsContact O-N 3.17Å; R69-R71 VanDerWaalsContact C-N 3.33Å; R69-R71 PolarHBondContact O-N 2.88Å; R69-Q72 WeakPolarHBondContact O-CA 3.44Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3.27Å; R69-E73 PolarHBondContact O-N 3.14Å
70L87.1Confident78.8Confident4 Ų461.7 Ų61.72%0.02133%0.33CS..Hα-helixtrans-61.3-40.5177.5-17367000112.2V4 W7 W15 L39 L40 A66 L67 Q72 E73 K74V4-L70 HydrophobicContact CG1-CD1 4.42Å; V4-L70 HydrophobicContact CG1-CD2 3.89Å; V4-L70 HydrophobicContact CG1-CG 4.17Å; V4-L70 HydrophobicContact CG2-CD1 3.95Å; V4-L70 HydrophobicContact CG2-CG 4.38Å; W7-L70 HydrophobicContact CH2-CD1 3.65Å; W7-L70 HydrophobicContact CH2-CD2 4.36Å; W7-L70 HydrophobicContact CZ3-CD1 4.08Å; W7-L70 HydrophobicContact CZ3-CD2 3.93Å; W15-L70 HydrophobicContact CD2-CD2 4.41Å; W15-L70 HydrophobicContact CH2-CD2 4.35Å; W15-L70 HydrophobicContact CZ2-CB 4.04Å; W15-L70 HydrophobicContact CZ2-CD2 3.95Å; W15-L70 HydrophobicContact CZ2-CG 4.43Å; L39-L70 HydrophobicContact CD2-CD2 3.62Å; L40-L70 HydrophobicContact CD2-CG 4.47Å; A66-L70 PolarHBondContact O-N 3.12Å; L67-L70 PolarHBondContact O-N 2.92Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-E73 PolarHBondContact O-N 3.24Å; L70-K74 PolarHBondContact O-N 3.37Å; L70-K74 VanDerWaalsContact O-N 3.09Å
71R84.7Confident77.6Confident72 Ų7266.4 Ų66.427%0.27236%0.364SS..Hα-helixtrans-62.8-40.4172.6-74.4174.8175.8172.43.8111.9L40 L42 L67 L68 R69 K74 T75L40-R71 HydrophobicContact CD2-CG 3.75Å; L40-R71 PolarHBondContact O-NE 2.89Å; L40-R71 PolarHBondContact O-NH2 2.9Å; L42-R71 PolarHBondContact O-NH2 2.9Å; L67-R71 WeakPolarHBondContact O-CG 3.11Å; L67-R71 PolarHBondContact O-N 2.84Å; L68-R71 PolarHBondContact O-N 3.22Å; R69-R71 VanDerWaalsContact C-N 3.33Å; R69-R71 PolarHBondContact O-N 2.88Å; R71-K74 PolarHBondContact O-N 2.82Å; R71-T75 WeakPolarHBondContact O-CG2 3.47Å; R71-T75 PolarHBondContact O-N 3.41Å; R71-T75 VanDerWaalsContact O-N 3.08Å; R71-T75 PolarHBondContact O-OG1 3.4Å
72Q76.5Confident75.8Confident135 Ų13565.1 Ų65.163%0.63136%0.364SS*.Hα-helixtrans-64.3-44.7177.5-172.6179.13.400111.6L68 R69 L70 K74 T75 A76L68-Q72 PolarHBondContact O-N 2.95Å; R69-Q72 WeakPolarHBondContact O-CA 3.44Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3.27Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; Q72-K74 PolarHBondContact O-N 3.32Å; Q72-T75 WeakPolarHBondContact CA-OG1 3.18Å; Q72-T75 PolarHBondContact O-N 3.28Å; Q72-T75 VanDerWaalsContact O-N 3.15Å; Q72-T75 PolarHBondContact O-OG1 2.8Å; Q72-A76 PolarHBondContact O-N 3.33Å
73E82.3Confident74.1Confident115 Ų11562.9 Ų62.954%0.53737%0.37SS..Hα-helixtrans-59.1-46.3176.1-72.4173-176.700111.3R69 L70 T75 A76 D77R69-E73 PolarHBondContact O-N 3.14Å; L70-E73 PolarHBondContact O-N 3.24Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.21Å; E73-A76 WeakPolarHBondContact O-CB 3.27Å; E73-A76 PolarHBondContact O-N 3.21Å; E73-A76 VanDerWaalsContact O-N 3.1Å; E73-D77 PolarHBondContact O-N 2.97Å
74K79.9Confident71.8Confident65 Ų6570.8 Ų70.828%0.28341%0.407SS..Hα-helixtrans-55-44.5173.3179.4-174.7177.6-175.50112.4E5 L40 L70 R71 Q72 D77 A78E5-K74 VanDerWaalsContact OE1-CE 3.28Å; E5-K74 WeakPolarHBondContact OE1-CE 3.3Å; E5-K74 IonicContact OE1-NZ 3.29Å; E5-K74 PolarHBondContact OE1-NZ 2.95Å; L40-K74 HydrophobicContact CD1-CD 3.68Å; L40-K74 HydrophobicContact CD2-CD 4.33Å; L70-K74 PolarHBondContact O-N 3.37Å; L70-K74 VanDerWaalsContact O-N 3.09Å; R71-K74 PolarHBondContact O-N 2.82Å; Q72-K74 PolarHBondContact O-N 3.32Å; K74-D77 PolarHBondContact O-N 3.04Å; K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.47Å
75T66.7Low69.9Low63 Ų6378 Ų7839%0.38744%0.441SS..Hα-helixtrans-68.5-3417956.30000112.9R71 Q72 E73 A79R71-T75 WeakPolarHBondContact O-CG2 3.47Å; R71-T75 PolarHBondContact O-N 3.41Å; R71-T75 VanDerWaalsContact O-N 3.08Å; R71-T75 PolarHBondContact O-OG1 3.4Å; Q72-T75 WeakPolarHBondContact CA-OG1 3.18Å; Q72-T75 PolarHBondContact O-N 3.28Å; Q72-T75 VanDerWaalsContact O-N 3.15Å; Q72-T75 PolarHBondContact O-OG1 2.8Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.21Å; T75-A79 WeakPolarHBondContact O-CB 3.47Å; T75-A79 PolarHBondContact O-N 3.09Å
76A69.7Low68.1Low57 Ų5784.4 Ų84.447%0.47146%0.464SS..Hα-helixtrans-67.7-41.9175.200000111.4Q72 E73 A79 A80Q72-A76 PolarHBondContact O-N 3.33Å; E73-A76 WeakPolarHBondContact O-CB 3.27Å; E73-A76 PolarHBondContact O-N 3.21Å; E73-A76 VanDerWaalsContact O-N 3.1Å; A76-A79 PolarHBondContact O-N 2.91Å; A76-A80 PolarHBondContact O-N 2.85Å
77D69.3Low66.1Low109 Ų10987.2 Ų87.258%0.58348%0.483SS*.Hα-helixtrans-66.1-39.2176-72-18.7000112.2E73 K74 A80 S81E73-D77 PolarHBondContact O-N 2.97Å; K74-D77 PolarHBondContact O-N 3.04Å; D77-A80 PolarHBondContact O-N 3.24Å; D77-S81 WeakPolarHBondContact O-CB 3.24Å; D77-S81 PolarHBondContact O-N 3.05Å; D77-S81 VanDerWaalsContact O-N 3.09Å; D77-S81 PolarHBondContact O-OG 3.16Å
78A63.4Low64.1Low52 Ų5291.6 Ų91.643%0.4351%0.51SS..Hα-helixtrans-64.7-43.317400000111.7K74 A80 S81 S82K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.47Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 3.3Å; A78-S81 PolarHBondContact O-N 3.3Å; A78-S81 VanDerWaalsContact O-N 3.14Å; A78-S82 PolarHBondContact O-N 2.89Å; A78-S82 PolarHBondContact O-OG 2.91Å
79A55.9Low62.3Low68 Ų6895.7 Ų95.756%0.56254%0.536SS*.Hα-helixtrans-64.5-34.9176.600000112.7T75 A76 S81T75-A79 WeakPolarHBondContact O-CB 3.47Å; T75-A79 PolarHBondContact O-N 3.09Å; A76-A79 PolarHBondContact O-N 2.91Å; A79-S81 VanDerWaalsContact C-N 3.31Å
80A60.3Low60.7Low81 Ų8193 Ų9367%0.66954%0.535SS*.Hα-helixtrans-69.9-28.4173.600000112.9A76 D77 A78A76-A80 PolarHBondContact O-N 2.85Å; D77-A80 PolarHBondContact O-N 3.24Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 3.3Å
81S58.5Low59Low106 Ų10696 Ų9674%0.74155%0.553SS**Hα-helixtrans-88.8-24.9-176.9-58.20000113.8D77 A78 A79D77-S81 WeakPolarHBondContact O-CB 3.24Å; D77-S81 PolarHBondContact O-N 3.05Å; D77-S81 VanDerWaalsContact O-N 3.09Å; D77-S81 PolarHBondContact O-OG 3.16Å; A78-S81 PolarHBondContact O-N 3.3Å; A78-S81 VanDerWaalsContact O-N 3.14Å; A79-S81 VanDerWaalsContact C-N 3.31Å
82S47.7Very low57.3Low48 Ų4899.3 Ų99.334%0.33657%0.57SS.*  trans-107.591.8-176.869.30000113.1A78 H84A78-S82 PolarHBondContact O-N 2.89Å; A78-S82 PolarHBondContact O-OG 2.91Å; S82-H84 PolarHBondContact O-N 3.48Å
83V50.9Low56.1Low134 Ų13495.7 Ų95.781%0.81256%0.559SS**  trans-77.210.8164.8173.60000112.3
84H41.4Very low54.6Low166 Ų16694.4 Ų94.477%0.76956%0.556SS**SBendtrans-123.187.7178.6-83.5-62.3000114S82 H86S82-H84 PolarHBondContact O-N 3.48Å; H84-H86 PolarHBondContact O-N 3.25Å
85E48.4Very low53.5Low178 Ų17897.9 Ų97.983%0.83257%0.571SS**SBendtrans521.9135.9-108.3176.2-178.200125.8
86H45.9Very low53.2Low179 Ų179101.7 Ų101.783%0.82959%0.585SS**SBendtrans-128.67.7175.8-96.726.7000118.6H84H84-H86 PolarHBondContact O-N 3.25Å
87S46.3Very low52.8Low58 Ų58104.9 Ų104.941%0.40659%0.59SS.*SBendtrans-93.8-15.1-178.7-68.40000116.2T89 S90 V91S87-T89 PolarHBondContact O-N 2.99Å; S87-S90 PolarHBondContact O-N 2.98Å; S87-S90 PolarHBondContact O-OG 3.08Å; S87-V91 WeakPolarHBondContact O-CG2 3.29Å; S87-V91 PolarHBondContact O-N 2.87Å
88T45.4Very low52.5Low95 Ų95103 Ų10358%0.58358%0.577SS**Hα-helixtrans-61.9-38.9-173.946.30000113.3S90 V91 F92T88-S90 VanDerWaalsContact C-N 3.34Å; T88-S90 PolarHBondContact O-N 2.76Å; T88-V91 PolarHBondContact O-N 3.49Å; T88-F92 WeakPolarHBondContact O-CD2 3.46Å; T88-F92 PolarHBondContact O-N 3.02Å
89T44.2Very low52.8Low112 Ų112103.5 Ų103.569%0.68758%0.577SS**Hα-helixtrans-61.9-39.7-180-460000112.5S87 V91 S93S87-T89 PolarHBondContact O-N 2.99Å; T89-V91 VanDerWaalsContact C-N 3.34Å; T89-S93 PolarHBondContact O-N 3.17Å; T89-S93 PolarHBondContact O-OG 3.38Å
90S50.4Low53.6Low56 Ų56102.1 Ų102.139%0.39257%0.566SS.*Hα-helixtrans-69.3-31.717872.50000113S87 T88 S93 N94S87-S90 PolarHBondContact O-N 2.98Å; S87-S90 PolarHBondContact O-OG 3.08Å; T88-S90 VanDerWaalsContact C-N 3.34Å; T88-S90 PolarHBondContact O-N 2.76Å; S90-S93 PolarHBondContact O-OG 3.28Å; S90-N94 WeakPolarHBondContact O-CB 3.46Å; S90-N94 PolarHBondContact O-N 3.12Å; S90-N94 VanDerWaalsContact O-N 3.15Å; S90-N94 PolarHBondContact O-ND2 2.73Å; S90-N94 PolarHBondContact O-OD1 2.89Å
91V50.3Low54.3Low68 Ų68102.3 Ų102.341%0.41256%0.556SS.*Hα-helixtrans-69.9-44.5179.3174.70000110.5S87 T88 T89 F95S87-V91 WeakPolarHBondContact O-CG2 3.29Å; S87-V91 PolarHBondContact O-N 2.87Å; T88-V91 PolarHBondContact O-N 3.49Å; T89-V91 VanDerWaalsContact C-N 3.34Å; V91-F95 WeakPolarHBondContact O-CB 3.4Å; V91-F95 PolarHBondContact O-N 3.4Å; V91-F95 VanDerWaalsContact O-N 3.09Å
92F50.2Low55Low141 Ų141101 Ų10162%0.61854%0.54SS*.Hα-helixtrans-66.4-43178.3-76.3-70.8000112.2T88 N94 F95 E96T88-F92 WeakPolarHBondContact O-CD2 3.46Å; T88-F92 PolarHBondContact O-N 3.02Å; F92-N94 PolarHBondContact O-N 3.22Å; F92-F95 PolarHBondContact O-N 3.04Å; F92-E96 WeakPolarHBondContact O-CG 3.47Å; F92-E96 PolarHBondContact O-N 3.27Å
93S51Low56.4Low58 Ų58103.6 Ų103.641%0.40655%0.549SS..Hα-helixtrans-61.6-44.617860.40000112T89 S90 F95 E96 E97T89-S93 PolarHBondContact O-N 3.17Å; T89-S93 PolarHBondContact O-OG 3.38Å; S90-S93 PolarHBondContact O-OG 3.28Å; S93-F95 VanDerWaalsContact C-N 3.33Å; S93-F95 PolarHBondContact O-N 3.49Å; S93-E96 PolarHBondContact O-N 3.14Å; S93-E97 WeakPolarHBondContact O-CB 3.36Å; S93-E97 PolarHBondContact O-N 3.44Å
94N51.7Low57.7Low88 Ų8898 Ų9847%0.47152%0.515SS..Hα-helixtrans-66.5-35.3179.9-68.6-10.8000111.9S90 F92 F98S90-N94 WeakPolarHBondContact O-CB 3.46Å; S90-N94 PolarHBondContact O-N 3.12Å; S90-N94 VanDerWaalsContact O-N 3.15Å; S90-N94 PolarHBondContact O-ND2 2.73Å; S90-N94 PolarHBondContact O-OD1 2.89Å; F92-N94 PolarHBondContact O-N 3.22Å; N94-F98 WeakPolarHBondContact O-CB 3.41Å; N94-F98 PolarHBondContact O-N 3.45Å
95F56Low59.2Low138 Ų13891.2 Ų91.261%0.60549%0.487SS*.Hα-helixtrans-71.8-39.6177.6-172.4-94.9000112.7V91 F92 S93 F98 S99V91-F95 WeakPolarHBondContact O-CB 3.4Å; V91-F95 PolarHBondContact O-N 3.4Å; V91-F95 VanDerWaalsContact O-N 3.09Å; F92-F95 PolarHBondContact O-N 3.04Å; S93-F95 VanDerWaalsContact C-N 3.33Å; S93-F95 PolarHBondContact O-N 3.49Å; F95-F98 PolarHBondContact O-N 2.68Å; F95-S99 WeakPolarHBondContact O-CB 3.48Å; F95-S99 PolarHBondContact O-N 2.95Å
96E60.8Low60.5Low144 Ų14488.6 Ų88.667%0.67348%0.475SS*.Hα-helixtrans-65.7-45.1175.3-73.6-173166.400111.7F92 S93 F98 S99 A100F92-E96 WeakPolarHBondContact O-CG 3.47Å; F92-E96 PolarHBondContact O-N 3.27Å; S93-E96 PolarHBondContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-S99 PolarHBondContact O-N 3.23Å; E96-A100 WeakPolarHBondContact O-CB 3.43Å; E96-A100 PolarHBondContact O-N 3.43Å
97E61.2Low62.1Low123 Ų12381.1 Ų81.158%0.57544%0.441SS*.Hα-helixtrans-61.2-44.3174.9-170.8170.5-164.100111S93 S99 A100 D101S93-E97 WeakPolarHBondContact O-CB 3.36Å; S93-E97 PolarHBondContact O-N 3.44Å; E97-S99 PolarHBondContact O-N 3.07Å; E97-A100 WeakPolarHBondContact O-CB 3.31Å; E97-A100 PolarHBondContact O-N 3.37Å; E97-D101 PolarHBondContact O-N 3.31Å
98F62.8Low63.6Low70 Ų7082 Ų8231%0.30744%0.439SS..Hα-helixtrans-60.7-45.9175.9176.2-114.6000113.7L68 N94 F95 E96 A100 D101 L102L68-F98 HydrophobicContact CB-CE2 4.33Å; L68-F98 HydrophobicContact CD1-CE2 3.46Å; L68-F98 VanDerWaalsContact CD1-CE2 3.46Å; L68-F98 HydrophobicContact CD1-CZ 3.97Å; L68-F98 HydrophobicContact CD2-CD2 3.76Å; L68-F98 HydrophobicContact CD2-CE2 3.31Å; L68-F98 HydrophobicContact CD2-CZ 4.24Å; L68-F98 HydrophobicContact CG-CE2 3.84Å; L68-F98 HydrophobicContact CG-CZ 4.45Å; N94-F98 WeakPolarHBondContact O-CB 3.41Å; N94-F98 PolarHBondContact O-N 3.45Å; F95-F98 PolarHBondContact O-N 2.68Å; E96-F98 VanDerWaalsContact C-N 3.35Å; F98-A100 VanDerWaalsContact C-N 3.27Å; F98-A100 PolarHBondContact O-N 2.85Å; F98-D101 PolarHBondContact O-N 2.92Å; F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CD2-CG 4.44Å; F98-L102 HydrophobicContact CE1-CD1 3.57Å; F98-L102 HydrophobicContact CE1-CG 4.44Å; F98-L102 HydrophobicContact CE2-CD1 3.82Å; F98-L102 HydrophobicContact CE2-CD2 4.31Å; F98-L102 HydrophobicContact CE2-CG 3.9Å; F98-L102 HydrophobicContact CZ-CD1 3.33Å; F98-L102 HydrophobicContact CZ-CD2 4.46Å; F98-L102 HydrophobicContact CZ-CG 3.96Å; F98-L102 PolarHBondContact O-N 3.32Å
99S69.5Low65.1Low63 Ų6379.4 Ų79.444%0.44142%0.424SS..Hα-helixtrans-62.2-38.8176.9-174.80000111F95 E96 E97 L103F95-S99 WeakPolarHBondContact O-CB 3.48Å; F95-S99 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-N 3.23Å; E97-S99 PolarHBondContact O-N 3.07Å; S99-L103 VanDerWaalsContact O-CB 3.31Å; S99-L103 WeakPolarHBondContact O-CB 3.3Å; S99-L103 PolarHBondContact O-N 3.48Å; S99-L103 VanDerWaalsContact O-N 3.1Å
100A73.2Confident66.8Low38 Ų3878 Ų7831%0.31442%0.424SS..Hα-helixtrans-63.8-47.1175.200000111.6E96 E97 F98 L102 L103 I104E96-A100 WeakPolarHBondContact O-CB 3.43Å; E96-A100 PolarHBondContact O-N 3.43Å; E97-A100 WeakPolarHBondContact O-CB 3.31Å; E97-A100 PolarHBondContact O-N 3.37Å; F98-A100 VanDerWaalsContact C-N 3.27Å; F98-A100 PolarHBondContact O-N 2.85Å; A100-L102 PolarHBondContact O-N 2.58Å; A100-L103 PolarHBondContact O-N 3.26Å; A100-I104 HydrophobicContact CB-CD1 4.49Å; A100-I104 WeakPolarHBondContact O-CB 3.4Å; A100-I104 WeakPolarHBondContact O-CD1 3.5Å; A100-I104 WeakPolarHBondContact O-CG1 3.21Å; A100-I104 PolarHBondContact O-N 2.86Å
101D74.1Confident68.3Low86 Ų8677.2 Ų77.246%0.4642%0.415SS..Hα-helixtrans-61.8-42.6179.7-75.6-16.1000113.5E97 F98 L103 I104 A105E97-D101 PolarHBondContact O-N 3.31Å; F98-D101 PolarHBondContact O-N 2.92Å; D101-L103 VanDerWaalsContact C-N 3.34Å; D101-I104 PolarHBondContact O-N 2.75Å; D101-A105 WeakPolarHBondContact O-CB 3.39Å; D101-A105 PolarHBondContact O-N 3.12Å
102L74.3Confident69.9Low79 Ų7978 Ų7841%0.41442%0.42SS..Hα-helixtrans-63.9-40.8174.1-73.6-178.5000112.1F98 A100 A105 E106F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CD2-CG 4.44Å; F98-L102 HydrophobicContact CE1-CD1 3.57Å; F98-L102 HydrophobicContact CE1-CG 4.44Å; F98-L102 HydrophobicContact CE2-CD1 3.82Å; F98-L102 HydrophobicContact CE2-CD2 4.31Å; F98-L102 HydrophobicContact CE2-CG 3.9Å; F98-L102 HydrophobicContact CZ-CD1 3.33Å; F98-L102 HydrophobicContact CZ-CD2 4.46Å; F98-L102 HydrophobicContact CZ-CG 3.96Å; F98-L102 PolarHBondContact O-N 3.32Å; A100-L102 PolarHBondContact O-N 2.58Å; L102-A105 PolarHBondContact O-N 3.06Å; L102-E106 WeakPolarHBondContact O-CB 3.31Å; L102-E106 PolarHBondContact O-N 2.75Å
103L76.8Confident71.4Confident101 Ų10180.8 Ų80.853%0.52943%0.427SS..Hα-helixtrans-67.2-39.2178.1-179.1143.8000111.7S99 A100 D101 E106 I107S99-L103 VanDerWaalsContact O-CB 3.31Å; S99-L103 WeakPolarHBondContact O-CB 3.3Å; S99-L103 PolarHBondContact O-N 3.48Å; S99-L103 VanDerWaalsContact O-N 3.1Å; A100-L103 PolarHBondContact O-N 3.26Å; D101-L103 VanDerWaalsContact C-N 3.34Å; L103-E106 PolarHBondContact O-N 3.35Å; L103-I107 HydrophobicContact CD2-CD1 3.46Å; L103-I107 VanDerWaalsContact CD2-CD1 3.46Å; L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.17Å; L103-I107 PolarHBondContact O-N 3.01Å
104I76.9Confident73.2Confident18 Ų1883.6 Ų83.69%0.09244%0.437CS..Hα-helixtrans-61.7-50.9173.9-67.8154.5000110A100 D101 E106 I107 E108 R348 W355A100-I104 HydrophobicContact CB-CD1 4.49Å; A100-I104 WeakPolarHBondContact O-CB 3.4Å; A100-I104 WeakPolarHBondContact O-CD1 3.5Å; A100-I104 WeakPolarHBondContact O-CG1 3.21Å; A100-I104 PolarHBondContact O-N 2.86Å; D101-I104 PolarHBondContact O-N 2.75Å; I104-E106 PolarHBondContact O-N 3.14Å; I104-I107 PolarHBondContact O-N 2.69Å; I104-E108 WeakPolarHBondContact O-CB 3.4Å; I104-E108 WeakPolarHBondContact O-CG 3.39Å; I104-E108 PolarHBondContact O-N 3.35Å; I104-R348 VanDerWaalsContact CG1-CZ 3.41Å; I104-R348 VanDerWaalsContact CG1-NH2 3.28Å; I104-W355 HydrophobicContact CB-CH2 4.39Å; I104-W355 HydrophobicContact CB-CZ2 4.37Å; I104-W355 HydrophobicContact CG1-CH2 4.2Å; I104-W355 HydrophobicContact CG1-CZ2 4.47Å; I104-W355 HydrophobicContact CG2-CH2 4.31Å; I104-W355 HydrophobicContact CG2-CZ2 3.8Å
105A74.5Confident74.8Confident23 Ų2380.7 Ų80.719%0.1942%0.42CS..Hα-helixtrans-60.2-36.617900000111.9D101 L102 S109D101-A105 WeakPolarHBondContact O-CB 3.39Å; D101-A105 PolarHBondContact O-N 3.12Å; L102-A105 PolarHBondContact O-N 3.06Å; A105-S109 WeakPolarHBondContact O-CB 3.37Å; A105-S109 PolarHBondContact O-N 2.81Å
106E76.2Confident76.4Confident123 Ų12374.9 Ų74.958%0.57540%0.397SS*.Hα-helixtrans-71.4-32.6175.1-177.852.9-148.700112.5L102 L103 I104 S109 K115L102-E106 WeakPolarHBondContact O-CB 3.31Å; L102-E106 PolarHBondContact O-N 2.75Å; L103-E106 PolarHBondContact O-N 3.35Å; I104-E106 PolarHBondContact O-N 3.14Å; E106-S109 PolarHBondContact O-OG 3.48Å; E106-K115 WeakPolarHBondContact O-CE 3.39Å; E106-K115 PolarHBondContact O-NZ 3.49Å
107I78.6Confident77.8Confident22 Ų2271.2 Ų71.211%0.11338%0.381CS..Hα-helixtrans-71.7-40.4174.7-71.5164.2000111.1L103 I104 S109 K115 W355 F356L103-I107 HydrophobicContact CD2-CD1 3.46Å; L103-I107 VanDerWaalsContact CD2-CD1 3.46Å; L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.17Å; L103-I107 PolarHBondContact O-N 3.01Å; I104-I107 PolarHBondContact O-N 2.69Å; I107-S109 VanDerWaalsContact C-N 3.32Å; I107-K115 WeakPolarHBondContact O-CE 3.45Å; I107-K115 PolarHBondContact O-NZ 3.04Å; I107-W355 HydrophobicContact CB-CH2 3.9Å; I107-W355 HydrophobicContact CB-CZ2 4.4Å; I107-W355 HydrophobicContact CB-CZ3 4.49Å; I107-W355 HydrophobicContact CD1-CH2 3.82Å; I107-W355 HydrophobicContact CD1-CZ3 3.95Å; I107-W355 HydrophobicContact CG1-CH2 4.49Å; I107-W355 HydrophobicContact CG2-CH2 3.7Å; I107-W355 HydrophobicContact CG2-CZ2 4.1Å; I107-W355 HydrophobicContact CG2-CZ3 3.95Å; I107-F356 HydrophobicContact CD1-CD2 3.89Å; I107-F356 HydrophobicContact CD1-CE2 3.95Å; I107-F356 HydrophobicContact CG1-CD2 4.35Å; I107-F356 HydrophobicContact CG1-CE2 4.18Å; I107-F356 HydrophobicContact CG2-CD2 4.13Å
108E78.1Confident79.3Confident77 Ų7770.7 Ų70.736%0.3638%0.382SS..Hα-helixtrans-75.9-16.8178.7-69.4-179172.600113.8I104 W355 G360I104-E108 WeakPolarHBondContact O-CB 3.4Å; I104-E108 WeakPolarHBondContact O-CG 3.39Å; I104-E108 PolarHBondContact O-N 3.35Å; E108-W355 HydrophobicContact CG-CZ2 3.84Å; E108-W355 PolarHBondContact OE1-NE1 3.45Å; E108-G360 WeakPolarHBondContact O-CA 3.45Å
109S77.1Confident80.7Confident40 Ų4067.7 Ų67.728%0.2837%0.369SS..SBendtrans-56.5148.8173.478.80000111.5A105 E106 I107 D111 K115 G360A105-S109 WeakPolarHBondContact O-CB 3.37Å; A105-S109 PolarHBondContact O-N 2.81Å; E106-S109 PolarHBondContact O-OG 3.48Å; I107-S109 VanDerWaalsContact C-N 3.32Å; S109-D111 PolarHBondContact O-N 2.92Å; S109-K115 PolarHBondContact O-NZ 3.33Å; S109-K115 PolarHBondContact OG-NZ 3.37Å; S109-G360 VanDerWaalsContact O-CA 3.27Å; S109-G360 WeakPolarHBondContact O-CA 3.2Å
110A79Confident81.8Confident82 Ų8265.3 Ų65.368%0.67835%0.351SS*.  trans-51.5135.1-178.300000112.1T112 G360A110-T112 PolarHBondContact O-N 3.24Å; A110-T112 VanDerWaalsContact O-N 3.1Å; A110-G360 CarbonylContact C-O 3.46Å
111D81.3Confident82.9Confident39 Ų3968 Ų6821%0.20936%0.36CS..  trans-66.9112.4-176.4-93.9-8.6000110.1S109 K115 K119 R198 G360 G361S109-D111 PolarHBondContact O-N 2.92Å; D111-K115 WeakPolarHBondContact OD1-CE 3.35Å; D111-K115 IonicContact OD1-NZ 3.38Å; D111-K119 IonicContact OD1-NZ 2.84Å; D111-K119 PolarHBondContact OD1-NZ 3.38Å; D111-K119 IonicContact OD2-NZ 2.92Å; D111-R198 IonicContact OD2-NH1 3.08Å; D111-R198 PolarHBondContact OD2-NH1 3.33Å; D111-G360 WeakPolarHBondContact CB-O 3.08Å; D111-G360 PolarHBondContact N-O 2.67Å; D111-G361 WeakPolarHBondContact OD2-CA 3.21Å
112T84Confident83.9Confident85 Ų8567.6 Ų67.652%0.52136%0.357SS..  trans-73.4157.4162.8660000109.8A110 N114 K115 S116A110-T112 PolarHBondContact O-N 3.24Å; A110-T112 VanDerWaalsContact O-N 3.1Å; T112-N114 PolarHBondContact O-N 3.22Å; T112-K115 PolarHBondContact O-N 2.98Å; T112-K115 VanDerWaalsContact OG1-CB 3.32Å; T112-K115 WeakPolarHBondContact OG1-CB 3.48Å; T112-K115 PolarHBondContact OG1-N 3.21Å; T112-S116 PolarHBondContact O-N 3.11Å
113R82.9Confident84.9Confident200 Ų20063.8 Ų63.876%0.75534%0.337SS*.Hα-helixtrans-52-42177.1-173.117670.7176.41112.3I117R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 VanDerWaalsContact O-CG1 3.28Å; R113-I117 WeakPolarHBondContact O-CG1 3.23Å; R113-I117 PolarHBondContact O-N 3.32Å; R113-I117 VanDerWaalsContact O-N 3.11Å
114N87.5Confident85.8Confident116 Ų11659.9 Ų59.962%0.6232%0.321SS*.Hα-helixtrans-69.3-40.6179.9-66.4-4.9000111.9T112 I117 L118T112-N114 PolarHBondContact O-N 3.22Å; N114-I117 PolarHBondContact O-N 3.1Å; N114-L118 WeakPolarHBondContact O-CB 3.47Å; N114-L118 PolarHBondContact O-N 3.08Å
115K86.3Confident86.7Confident27 Ų2763.9 Ų63.912%0.11734%0.342CS..Hα-helixtrans-64.4-41.9176.9-174.2176.3171.7-168.60111.7E106 I107 S109 D111 T112 L118 K119E106-K115 WeakPolarHBondContact O-CE 3.39Å; E106-K115 PolarHBondContact O-NZ 3.49Å; I107-K115 WeakPolarHBondContact O-CE 3.45Å; I107-K115 PolarHBondContact O-NZ 3.04Å; S109-K115 PolarHBondContact O-NZ 3.33Å; S109-K115 PolarHBondContact OG-NZ 3.37Å; D111-K115 WeakPolarHBondContact OD1-CE 3.35Å; D111-K115 IonicContact OD1-NZ 3.38Å; T112-K115 PolarHBondContact O-N 2.98Å; T112-K115 VanDerWaalsContact OG1-CB 3.32Å; T112-K115 WeakPolarHBondContact OG1-CB 3.48Å; T112-K115 PolarHBondContact OG1-N 3.21Å; K115-L118 PolarHBondContact O-N 2.97Å; K115-K119 HydrophobicContact CG-CD 4.45Å; K115-K119 WeakPolarHBondContact O-CB 3.27Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 2.89Å
116S89.3Confident87.7Confident17 Ų1765.4 Ų65.412%0.11934%0.343CS..Hα-helixtrans-62.6-43.2175.2179.50000112.2T112 K119 T120T112-S116 PolarHBondContact O-N 3.11Å; S116-K119 PolarHBondContact O-N 3.16Å; S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 PolarHBondContact O-N 3.42Å; S116-T120 PolarHBondContact O-OG1 3.02Å
117I91.4Very high88.7Confident66 Ų6661.9 Ų61.934%0.33833%0.326SS..Hα-helixtrans-61.7-47.3174-68.4166.1000110.5R113 N114 K119 T120 I121 L194R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 VanDerWaalsContact O-CG1 3.28Å; R113-I117 WeakPolarHBondContact O-CG1 3.23Å; R113-I117 PolarHBondContact O-N 3.32Å; R113-I117 VanDerWaalsContact O-N 3.11Å; N114-I117 PolarHBondContact O-N 3.1Å; I117-K119 PolarHBondContact O-N 3.21Å; I117-T120 WeakPolarHBondContact O-CB 3.44Å; I117-T120 PolarHBondContact O-N 3.37Å; I117-T120 VanDerWaalsContact O-N 3.14Å; I117-I121 HydrophobicContact CG2-CD1 3.78Å; I117-I121 HydrophobicContact CG2-CG1 4.35Å; I117-I121 WeakPolarHBondContact O-CG1 3.28Å; I117-I121 PolarHBondContact O-N 2.73Å; I117-L194 HydrophobicContact CG1-CD1 3.72Å
118L91.4Very high89.5Confident113 Ų11362.6 Ų62.659%0.59234%0.335SS*.Hα-helixtrans-60.4-45.4179.1-18061.9000112.1N114 K115 T120 I121 L122N114-L118 WeakPolarHBondContact O-CB 3.47Å; N114-L118 PolarHBondContact O-N 3.08Å; K115-L118 PolarHBondContact O-N 2.97Å; L118-T120 VanDerWaalsContact C-N 3.28Å; L118-T120 PolarHBondContact O-N 3.23Å; L118-I121 PolarHBondContact O-N 3.4Å; L118-L122 WeakPolarHBondContact O-CB 3.32Å; L118-L122 PolarHBondContact O-N 2.92Å
119K91.6Very high90.3Very high7 Ų762.7 Ų62.73%0.0334%0.341CS..Hα-helixtrans-58.7-40.3174.2-77176.7172.5174.30111.8D111 K115 S116 I117 L122 A123 F356 F357 S359D111-K119 IonicContact OD1-NZ 2.84Å; D111-K119 PolarHBondContact OD1-NZ 3.38Å; D111-K119 IonicContact OD2-NZ 2.92Å; K115-K119 HydrophobicContact CG-CD 4.45Å; K115-K119 WeakPolarHBondContact O-CB 3.27Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 2.89Å; S116-K119 PolarHBondContact O-N 3.16Å; I117-K119 PolarHBondContact O-N 3.21Å; K119-L122 PolarHBondContact O-N 2.95Å; K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.98Å; K119-F356 WeakPolarHBondContact CE-O 3.47Å; K119-F356 HydrophobicContact CG-CE1 4.29Å; K119-F357 HydrophobicContact CB-CD1 4.41Å; K119-F357 WeakPolarHBondContact O-CE1 3.5Å; K119-S359 PolarHBondContact NZ-O 2.66Å
120T93.4Very high91.2Very high12 Ų1260.8 Ų60.87%0.07433%0.328CS..Hα-helixtrans-68.7-41.3178.2-51.80000111.6S116 I117 L118 A123 G124 L194 M197 R198S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 PolarHBondContact O-N 3.42Å; S116-T120 PolarHBondContact O-OG1 3.02Å; I117-T120 WeakPolarHBondContact O-CB 3.44Å; I117-T120 PolarHBondContact O-N 3.37Å; I117-T120 VanDerWaalsContact O-N 3.14Å; L118-T120 VanDerWaalsContact C-N 3.28Å; L118-T120 PolarHBondContact O-N 3.23Å; T120-A123 PolarHBondContact O-N 3.06Å; T120-G124 PolarHBondContact O-N 2.92Å; T120-L194 HydrophobicContact CG2-CD2 4.25Å; T120-L194 PolarHBondContact OG1-O 3.12Å; T120-M197 HydrophobicContact CG2-CB 3.97Å; T120-R198 HydrophobicContact CG2-CB 4.41Å
121I95.5Very high91.9Very high95 Ų9558.1 Ų58.149%0.48730%0.302SS..Hα-helixtrans-61.9-46174.2-69.7169.1000110.2I117 L118 A123 G124 L125I117-I121 HydrophobicContact CG2-CD1 3.78Å; I117-I121 HydrophobicContact CG2-CG1 4.35Å; I117-I121 WeakPolarHBondContact O-CG1 3.28Å; I117-I121 PolarHBondContact O-N 2.73Å; L118-I121 PolarHBondContact O-N 3.4Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.27Å; I121-G124 PolarHBondContact O-N 3.17Å; I121-G124 VanDerWaalsContact O-N 3.14Å; I121-L125 HydrophobicContact CG2-CD1 4.27Å; I121-L125 HydrophobicContact CG2-CG 4.46Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.37Å
122L94.9Very high92.5Very high77 Ų7760.1 Ų60.140%0.40331%0.312SS..Hα-helixtrans-63.8-38.2178.3-176.455.4000112L118 K119 L125 Y126 F356 F357L118-L122 WeakPolarHBondContact O-CB 3.32Å; L118-L122 PolarHBondContact O-N 2.92Å; K119-L122 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.19Å; L122-Y126 WeakPolarHBondContact O-CB 3.44Å; L122-Y126 PolarHBondContact O-N 3.05Å; L122-F356 HydrophobicContact CD2-CE1 3.55Å; L122-F356 HydrophobicContact CD2-CZ 3.65Å; L122-F356 HydrophobicContact CG-CE1 4.46Å; L122-F357 HydrophobicContact CB-CE1 4.46Å; L122-F357 HydrophobicContact CG-CE1 4.48Å
123A95.5Very high93.1Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-62.3-43171.200000111.8K119 T120 I121 Y126 F127 R198 F201 F357K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.98Å; T120-A123 PolarHBondContact O-N 3.06Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.27Å; A123-Y126 WeakPolarHBondContact O-CB 3.4Å; A123-Y126 PolarHBondContact O-N 3.11Å; A123-F127 PolarHBondContact O-N 3.28Å; A123-R198 HydrophobicContact CB-CG 4.05Å; A123-F201 HydrophobicContact CB-CB 4.07Å; A123-F201 WeakPolarHBondContact O-CB 3.48Å; A123-F357 HydrophobicContact CB-CD1 4.12Å; A123-F357 HydrophobicContact CB-CE1 3.61Å; A123-F357 HydrophobicContact CB-CE2 4.26Å; A123-F357 HydrophobicContact CB-CZ 3.7Å
124G96.3Very high93.6Very high18 Ų1849.7 Ų49.719%0.18627%0.267CS..Hα-helixtrans-62.8-40.4175.400000113.1T120 I121 F127 A128T120-G124 PolarHBondContact O-N 2.92Å; I121-G124 PolarHBondContact O-N 3.17Å; I121-G124 VanDerWaalsContact O-N 3.14Å; G124-F127 PolarHBondContact O-N 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.46Å; G124-A128 PolarHBondContact O-N 2.84Å
125L96.2Very high93.8Very high103 Ų10344.2 Ų44.254%0.53924%0.238SC..Hα-helixtrans-63.8-45.2173.5-70.7174.8000111.4I121 L122 F127 A128 V129I121-L125 HydrophobicContact CG2-CD1 4.27Å; I121-L125 HydrophobicContact CG2-CG 4.46Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.37Å; L122-L125 PolarHBondContact O-N 3.19Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.12Å; L125-A128 PolarHBondContact O-N 2.98Å; L125-V129 WeakPolarHBondContact O-CB 3.45Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.34Å; L125-V129 PolarHBondContact O-N 3.27Å
126Y96.1Very high94.2Very high55 Ų5545.1 Ų45.122%0.21624%0.244CC..Hα-helixtrans-56.9-45.9174.4168.5-103.7000111.7L122 A123 V129 S130 T206 L353L122-Y126 WeakPolarHBondContact O-CB 3.44Å; L122-Y126 PolarHBondContact O-N 3.05Å; A123-Y126 WeakPolarHBondContact O-CB 3.4Å; A123-Y126 PolarHBondContact O-N 3.11Å; Y126-V129 PolarHBondContact O-N 3.19Å; Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 2.91Å; Y126-S130 PolarHBondContact O-OG 3.06Å; Y126-T206 VanDerWaalsContact OH-CA 3.3Å; Y126-T206 WeakPolarHBondContact OH-CA 3.27Å; Y126-T206 PolarHBondContact OH-N 3.46Å; Y126-T206 PolarHBondContact OH-OG1 3.01Å; Y126-L353 HydrophobicContact CE1-CD1 4.11Å; Y126-L353 HydrophobicContact CE2-CD1 4.08Å
127F96.3Very high94.4Very high49 Ų4945 Ų4522%0.21524%0.243CC..Hα-helixtrans-61.5-48.8175.7171.1-105.2000112.1A123 G124 L125 V129 S130 I131 F201 V204A123-F127 PolarHBondContact O-N 3.28Å; G124-F127 PolarHBondContact O-N 3.26Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.12Å; F127-V129 VanDerWaalsContact C-N 3.33Å; F127-V129 PolarHBondContact O-N 3.06Å; F127-S130 WeakPolarHBondContact O-CB 3.35Å; F127-S130 PolarHBondContact O-N 2.98Å; F127-S130 VanDerWaalsContact O-N 3.09Å; F127-I131 HydrophobicContact CD2-CG1 4.13Å; F127-I131 HydrophobicContact CE1-CG1 4.23Å; F127-I131 HydrophobicContact CE2-CD1 3.84Å; F127-I131 HydrophobicContact CE2-CG1 3.66Å; F127-I131 HydrophobicContact CZ-CD1 4.16Å; F127-I131 HydrophobicContact CZ-CG1 3.72Å; F127-I131 WeakPolarHBondContact O-CG1 3.38Å; F127-I131 PolarHBondContact O-N 3.29Å; F127-F201 HydrophobicContact CB-CB 3.75Å; F127-F201 HydrophobicContact CB-CD1 3.97Å; F127-F201 HydrophobicContact CB-CG 4.11Å; F127-F201 AromaticContact CD1-CD1 3.62Å; F127-F201 HydrophobicContact CD1-CD1 3.62Å; F127-F201 AromaticContact CD1-CE1 4Å; F127-F201 HydrophobicContact CD1-CE1 4Å; F127-F201 HydrophobicContact CD2-CD1 4.41Å; F127-F201 HydrophobicContact CE1-CD1 4.22Å; F127-F201 HydrophobicContact CE1-CE1 4.31Å; F127-F201 HydrophobicContact CG-CB 4.32Å; F127-F201 AromaticContact CG-CD1 3.73Å; F127-F201 HydrophobicContact CG-CD1 3.73Å; F127-F201 HydrophobicContact CG-CG 4.37Å; F127-V204 HydrophobicContact CD2-CB 4.32Å; F127-V204 HydrophobicContact CD2-CG1 4.26Å; F127-V204 HydrophobicContact CE2-CB 4.11Å; F127-V204 HydrophobicContact CE2-CG1 3.63Å
128A95.3Very high94.4Very high37 Ų3742.8 Ų42.831%0.30623%0.231SC..Hα-helixtrans-59.9-42.5179.400000112.3G124 L125 I131 L132G124-A128 WeakPolarHBondContact O-CB 3.46Å; G124-A128 PolarHBondContact O-N 2.84Å; L125-A128 PolarHBondContact O-N 2.98Å; A128-I131 PolarHBondContact O-N 3.13Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.06Å
129V95.4Very high94.3Very high78 Ų7837.8 Ų37.847%0.47321%0.206SC..Hα-helixtrans-64.5-41.9174171.10000111L125 Y126 F127 I131 L132 I133L125-V129 WeakPolarHBondContact O-CB 3.45Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.34Å; L125-V129 PolarHBondContact O-N 3.27Å; Y126-V129 PolarHBondContact O-N 3.19Å; F127-V129 VanDerWaalsContact C-N 3.33Å; F127-V129 PolarHBondContact O-N 3.06Å; V129-I131 PolarHBondContact O-N 3.46Å; V129-L132 PolarHBondContact O-N 2.49Å; V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 HydrophobicContact CG1-CG1 4.29Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.41Å; V129-I133 PolarHBondContact O-N 3.4Å
130S95.8Very high94.3Very high1 Ų138.7 Ų38.71%0.00721%0.21CC..Hα-helixtrans-61.7-42.8178.4-58.60000111.8Y126 F127 I133 T134 M209Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 2.91Å; Y126-S130 PolarHBondContact O-OG 3.06Å; F127-S130 WeakPolarHBondContact O-CB 3.35Å; F127-S130 PolarHBondContact O-N 2.98Å; F127-S130 VanDerWaalsContact O-N 3.09Å; S130-I133 PolarHBondContact O-N 3.26Å; S130-T134 WeakPolarHBondContact O-CB 3.02Å; S130-T134 PolarHBondContact O-N 2.97Å; S130-T134 PolarHBondContact O-OG1 2.85Å; S130-M209 WeakPolarHBondContact OG-CG 3.15Å
131I93.8Very high94.2Very high25 Ų2538.1 Ų38.113%0.12821%0.207CC..Hα-helixtrans-68.7-37176-60.6-60.3000111.5F127 A128 V129 T134 S135 F208F127-I131 HydrophobicContact CD2-CG1 4.13Å; F127-I131 HydrophobicContact CE1-CG1 4.23Å; F127-I131 HydrophobicContact CE2-CD1 3.84Å; F127-I131 HydrophobicContact CE2-CG1 3.66Å; F127-I131 HydrophobicContact CZ-CD1 4.16Å; F127-I131 HydrophobicContact CZ-CG1 3.72Å; F127-I131 WeakPolarHBondContact O-CG1 3.38Å; F127-I131 PolarHBondContact O-N 3.29Å; A128-I131 PolarHBondContact O-N 3.13Å; V129-I131 PolarHBondContact O-N 3.46Å; I131-T134 WeakPolarHBondContact O-CB 3.46Å; I131-T134 PolarHBondContact O-N 3.36Å; I131-S135 PolarHBondContact O-N 2.66Å; I131-F208 HydrophobicContact CD1-CB 4.29Å; I131-F208 HydrophobicContact CD1-CD1 4.19Å; I131-F208 HydrophobicContact CD1-CD2 3.76Å; I131-F208 HydrophobicContact CD1-CE1 4.46Å; I131-F208 HydrophobicContact CD1-CE2 4.08Å; I131-F208 HydrophobicContact CD1-CG 3.81Å; I131-F208 HydrophobicContact CD1-CZ 4.41Å
132L94.4Very high93.8Very high82 Ų8234.5 Ų34.543%0.42919%0.188SC..Hα-helixtrans-65.2-42.2174.4-179.665.1000112.4A128 V129 T134 S135 L136 W247A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.06Å; V129-L132 PolarHBondContact O-N 2.49Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-S135 PolarHBondContact O-N 2.62Å; L132-S135 PolarHBondContact O-OG 2.87Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 PolarHBondContact O-N 3.36Å; L132-W247 HydrophobicContact CD1-CG 4.25Å
133I95.1Very high93.5Very high61 Ų6131.9 Ų31.931%0.31317%0.174SC..Hα-helixtrans-63.3-41.9173.8-68169.7000109.6V129 S130 S135 L136 V137 M209 C212V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 HydrophobicContact CG1-CG1 4.29Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.41Å; V129-I133 PolarHBondContact O-N 3.4Å; S130-I133 PolarHBondContact O-N 3.26Å; I133-S135 PolarHBondContact O-N 3.21Å; I133-L136 PolarHBondContact O-N 3.4Å; I133-V137 HydrophobicContact CG2-CG2 4.21Å; I133-V137 WeakPolarHBondContact O-CB 3.25Å; I133-V137 VanDerWaalsContact O-CG2 3.28Å; I133-V137 WeakPolarHBondContact O-CG2 3.3Å; I133-V137 PolarHBondContact O-N 3.39Å; I133-M209 HydrophobicContact CB-SD 4.36Å; I133-M209 HydrophobicContact CD1-CE 4.35Å; I133-M209 HydrophobicContact CD1-SD 4Å; I133-M209 HydrophobicContact CG2-SD 4.25Å; I133-C212 HydrophobicContact CG2-CB 4.4Å
134T93.5Very high93.1Very high4 Ų439 Ų393%0.02520%0.201CC..Hα-helixtrans-59.4-46.4176-540000111.1S130 I131 L132 L136 V137 M138 F208 C212S130-T134 WeakPolarHBondContact O-CB 3.02Å; S130-T134 PolarHBondContact O-N 2.97Å; S130-T134 PolarHBondContact O-OG1 2.85Å; I131-T134 WeakPolarHBondContact O-CB 3.46Å; I131-T134 PolarHBondContact O-N 3.36Å; L132-T134 VanDerWaalsContact C-N 3.3Å; T134-L136 VanDerWaalsContact C-N 3.33Å; T134-L136 PolarHBondContact O-N 2.92Å; T134-V137 PolarHBondContact O-N 3.27Å; T134-M138 HydrophobicContact CG2-CE 4.16Å; T134-M138 HydrophobicContact CG2-CG 4.46Å; T134-M138 HydrophobicContact CG2-SD 4.42Å; T134-M138 VanDerWaalsContact O-CG 3.31Å; T134-M138 WeakPolarHBondContact O-CG 3.43Å; T134-M138 PolarHBondContact O-N 3.38Å; T134-F208 HydrophobicContact CG2-CD1 3.89Å; T134-F208 HydrophobicContact CG2-CE1 4.48Å; T134-C212 WeakPolarHBondContact CA-SG 3.44Å; T134-C212 PolarHBondContact OG1-SG 3.41Å
135S93.1Very high92.6Very high1 Ų138.5 Ų38.51%0.00719%0.194CC..Hα-helixtrans-64-38.9179.574.70000112.6I131 L132 I133 V139 A243I131-S135 PolarHBondContact O-N 2.66Å; L132-S135 PolarHBondContact O-N 2.62Å; L132-S135 PolarHBondContact O-OG 2.87Å; I133-S135 PolarHBondContact O-N 3.21Å; S135-V139 WeakPolarHBondContact O-CG2 3.35Å; S135-V139 PolarHBondContact O-N 2.89Å; S135-A243 VanDerWaalsContact CB-O 3.26Å; S135-A243 WeakPolarHBondContact CB-O 3.27Å; S135-A243 PolarHBondContact OG-O 3.46Å
136L93.4Very high92Very high47 Ų4735.3 Ų35.325%0.24618%0.18CC..Hα-helixtrans-64.4-45.7173.5-178.762.8000112.1L132 I133 T134 M138 V139 I140 L240 A243L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 PolarHBondContact O-N 3.36Å; I133-L136 PolarHBondContact O-N 3.4Å; T134-L136 VanDerWaalsContact C-N 3.33Å; T134-L136 PolarHBondContact O-N 2.92Å; L136-M138 VanDerWaalsContact C-N 3.34Å; L136-M138 PolarHBondContact O-N 2.9Å; L136-V139 PolarHBondContact O-N 3.31Å; L136-I140 HydrophobicContact CD1-CD1 4.19Å; L136-I140 HydrophobicContact CD1-CG1 4.5Å; L136-I140 HydrophobicContact CD2-CD1 4.49Å; L136-I140 HydrophobicContact CG-CD1 3.88Å; L136-I140 WeakPolarHBondContact O-CG1 3.35Å; L136-I140 PolarHBondContact O-N 3.39Å; L136-L240 HydrophobicContact CD1-CD2 4.23Å; L136-A243 HydrophobicContact CB-CB 4.29Å; L136-A243 HydrophobicContact CD1-CB 4.19Å
137V93.3Very high91.4Very high15 Ų1536.1 Ų36.19%0.09119%0.188CC..Hα-helixtrans-63.1-40.2178.8166.80000111.3I133 T134 V139 I140 V141 C212 I215 M216I133-V137 HydrophobicContact CG2-CG2 4.21Å; I133-V137 WeakPolarHBondContact O-CB 3.25Å; I133-V137 VanDerWaalsContact O-CG2 3.28Å; I133-V137 WeakPolarHBondContact O-CG2 3.3Å; I133-V137 PolarHBondContact O-N 3.39Å; T134-V137 PolarHBondContact O-N 3.27Å; V137-V139 VanDerWaalsContact C-N 3.32Å; V137-V139 PolarHBondContact O-N 2.93Å; V137-I140 PolarHBondContact O-N 3.02Å; V137-V141 HydrophobicContact CG1-CG2 4.35Å; V137-V141 PolarHBondContact O-N 3.27Å; V137-C212 HydrophobicContact CG2-CB 4.17Å; V137-I215 HydrophobicContact CG1-CB 4.35Å; V137-I215 HydrophobicContact CG1-CG2 4.17Å; V137-M216 HydrophobicContact CG1-CG 3.65Å; V137-M216 HydrophobicContact CG1-SD 3.97Å; V137-M216 HydrophobicContact CG2-CG 4.19Å; V137-M216 HydrophobicContact CG2-SD 4.45Å
138M91Very high90.6Very high18 Ų1836.1 Ų36.19%0.08919%0.194CC..Hα-helixtrans-58.2-43.2175-73.4-172.5-64.100111.7T134 L136 H142 I246 D262T134-M138 HydrophobicContact CG2-CE 4.16Å; T134-M138 HydrophobicContact CG2-CG 4.46Å; T134-M138 HydrophobicContact CG2-SD 4.42Å; T134-M138 VanDerWaalsContact O-CG 3.31Å; T134-M138 WeakPolarHBondContact O-CG 3.43Å; T134-M138 PolarHBondContact O-N 3.38Å; L136-M138 VanDerWaalsContact C-N 3.34Å; L136-M138 PolarHBondContact O-N 2.9Å; M138-H142 VanDerWaalsContact O-CB 3.29Å; M138-H142 WeakPolarHBondContact O-CB 3.22Å; M138-H142 PolarHBondContact O-N 2.75Å; M138-I246 HydrophobicContact CE-CG2 3.38Å; M138-D262 HydrophobicContact CG-CB 4.19Å
139V91.4Very high89.9Confident9 Ų943.1 Ų43.16%0.05522%0.217CC..Hα-helixtrans-64.6-44.8174.4177.90000111.6S135 L136 V137 V141 H142 D143 K239 R242 A243 I246S135-V139 WeakPolarHBondContact O-CG2 3.35Å; S135-V139 PolarHBondContact O-N 2.89Å; L136-V139 PolarHBondContact O-N 3.31Å; V137-V139 VanDerWaalsContact C-N 3.32Å; V137-V139 PolarHBondContact O-N 2.93Å; V139-V141 VanDerWaalsContact C-N 3.29Å; V139-V141 PolarHBondContact O-N 3.31Å; V139-H142 PolarHBondContact O-N 2.81Å; V139-D143 PolarHBondContact O-N 2.75Å; V139-K239 HydrophobicContact CG1-CB 3.92Å; V139-K239 HydrophobicContact CG1-CG 3.98Å; V139-R242 HydrophobicContact CG1-CB 4.49Å; V139-R242 HydrophobicContact CG2-CB 3.99Å; V139-A243 HydrophobicContact CG2-CB 4.12Å; V139-I246 HydrophobicContact CG2-CD1 3.47Å; V139-I246 VanDerWaalsContact CG2-CD1 3.47Å
140I91Very high89.4Confident25 Ų2543.8 Ų43.813%0.12822%0.222CC..Hα-helixtrans-62-37.1-178.6-74173.1000111.9L136 V137 R144 M216 W236L136-I140 HydrophobicContact CD1-CD1 4.19Å; L136-I140 HydrophobicContact CD1-CG1 4.5Å; L136-I140 HydrophobicContact CD2-CD1 4.49Å; L136-I140 HydrophobicContact CG-CD1 3.88Å; L136-I140 WeakPolarHBondContact O-CG1 3.35Å; L136-I140 PolarHBondContact O-N 3.39Å; V137-I140 PolarHBondContact O-N 3.02Å; I140-R144 PolarHBondContact O-NH1 2.98Å; I140-M216 HydrophobicContact CG2-CE 4.25Å; I140-M216 HydrophobicContact CG2-SD 3.85Å; I140-W236 HydrophobicContact CD1-CH2 4.5Å
141V90.1Very high88.8Confident1 Ų149.4 Ų49.41%0.00625%0.247CC..Hα-helixtrans-82.9-31.1178.8172.90000112.4V137 V139 D143 R144 V145 I215 M216 G261V137-V141 HydrophobicContact CG1-CG2 4.35Å; V137-V141 PolarHBondContact O-N 3.27Å; V139-V141 VanDerWaalsContact C-N 3.29Å; V139-V141 PolarHBondContact O-N 3.31Å; V141-D143 VanDerWaalsContact C-N 3.25Å; V141-D143 PolarHBondContact O-N 3.13Å; V141-R144 CarbonylContact O-C 3.59Å; V141-R144 WeakPolarHBondContact O-CA 3.43Å; V141-R144 PolarHBondContact O-N 3.48Å; V141-V145 PolarHBondContact O-N 2.92Å; V141-V145 VanDerWaalsContact O-N 3.13Å; V141-I215 HydrophobicContact CB-CG2 3.78Å; V141-I215 HydrophobicContact CG1-CG2 3.74Å; V141-I215 HydrophobicContact CG2-CG2 3.61Å; V141-M216 HydrophobicContact CG2-SD 3.76Å; V141-G261 VanDerWaalsContact CG1-O 3.28Å; V141-G261 WeakPolarHBondContact CG1-O 3.09Å
142H88.9Confident88.5Confident19 Ų1952.4 Ų52.49%0.08827%0.267CS..Hα-helixtrans-55.8-41.6169.6-177.381.3000112.1M138 V139 R144 V145 C260M138-H142 VanDerWaalsContact O-CB 3.29Å; M138-H142 WeakPolarHBondContact O-CB 3.22Å; M138-H142 PolarHBondContact O-N 2.75Å; V139-H142 PolarHBondContact O-N 2.81Å; H142-R144 PolarHBondContact O-N 3.49Å; H142-V145 WeakPolarHBondContact O-CG1 3.47Å; H142-V145 PolarHBondContact O-N 3.08Å; H142-C260 VanDerWaalsContact CA-O 3.25Å; H142-C260 WeakPolarHBondContact CA-O 3.25Å; H142-C260 WeakPolarHBondContact CB-O 3.43Å; H142-C260 WeakPolarHBondContact ND1-CB 3.35Å; H142-C260 PolarHBondContact ND1-N 2.88Å
143D87.8Confident88.3Confident21 Ų2150.9 Ų50.911%0.11226%0.262CS..THydrogen-bonded Turntrans-65.9-19.2176.4-69.51.6000113.5V139 V141 A231 S234 K239V139-D143 PolarHBondContact O-N 2.75Å; V141-D143 VanDerWaalsContact C-N 3.25Å; V141-D143 PolarHBondContact O-N 3.13Å; D143-A231 WeakPolarHBondContact O-CB 3.24Å; D143-S234 PolarHBondContact OD2-OG 3.44Å; D143-K239 WeakPolarHBondContact OD2-CE 3.36Å; D143-K239 IonicContact OD2-NZ 3.08Å; D143-K239 PolarHBondContact OD2-NZ 3.19Å
144R86.4Confident88.1Confident151 Ų15152.1 Ų52.157%0.5727%0.269SS*.THydrogen-bonded Turntrans-103.74.4179.8-65.1-165.4-179.194.2-0.7113.5I140 V141 H142I140-R144 PolarHBondContact O-NH1 2.98Å; V141-R144 CarbonylContact O-C 3.59Å; V141-R144 WeakPolarHBondContact O-CA 3.43Å; V141-R144 PolarHBondContact O-N 3.48Å; H142-R144 PolarHBondContact O-N 3.49Å
145V85.9Confident88Confident7 Ų757.6 Ų57.64%0.04231%0.305CS..PPolyproline II helixtrans-59128.6-179.672.60000109.8V141 H142 V222 A231V141-V145 PolarHBondContact O-N 2.92Å; V141-V145 VanDerWaalsContact O-N 3.13Å; H142-V145 WeakPolarHBondContact O-CG1 3.47Å; H142-V145 PolarHBondContact O-N 3.08Å; V145-V222 HydrophobicContact CG2-CG2 3.81Å; V145-A231 HydrophobicContact CG1-CB 4.23Å
146P83.8Confident88Confident35 Ų3558.3 Ų58.323%0.22731%0.309CS..PPolyproline II helixtrans-60.9146175.6-2232.6000111.4S148 F151P146-S148 PolarHBondContact O-N 3.36Å; P146-F151 HydrophobicContact CB-CB 4.17Å; P146-F151 HydrophobicContact CB-CD2 3.68Å; P146-F151 HydrophobicContact CB-CE2 4.41Å; P146-F151 HydrophobicContact CB-CG 4.14Å
147D83Confident88.1Confident73 Ų7362.8 Ų62.839%0.3933%0.331SS..PPolyproline II helixtrans-63.9124.8176.1176.736.4000111K149 T150 F151D147-K149 PolarHBondContact O-N 2.91Å; D147-T150 PolarHBondContact O-N 3.35Å; D147-T150 VanDerWaalsContact O-N 3.08Å; D147-T150 PolarHBondContact OD2-OG1 3.14Å; D147-F151 PolarHBondContact O-N 3.49Å
148S79.7Confident88.1Confident49 Ų4964.9 Ų64.934%0.34334%0.339SS..THydrogen-bonded Turntrans-64.8-23.1-173.859.80000113.5P146P146-S148 PolarHBondContact O-N 3.36Å
149K81.1Confident88.2Confident183 Ų18364.6 Ų64.680%0.79634%0.338SS*.THydrogen-bonded Turntrans-74.9-34.5175.3-64.3-179.2-179.6176.80112.6D147D147-K149 PolarHBondContact O-N 2.91Å
150T85Confident88.3Confident93 Ų9369.6 Ų69.657%0.57137%0.365SS*.THydrogen-bonded Turntrans-85.5-37.7-178.4-54.80000110.9D147D147-T150 PolarHBondContact O-N 3.35Å; D147-T150 VanDerWaalsContact O-N 3.08Å; D147-T150 PolarHBondContact OD2-OG1 3.14Å
151F84.1Confident88.5Confident119 Ų11974.5 Ų74.552%0.52239%0.391SS..SBendtrans-12297.5-178.6-61.6-79.7000110P146 D147P146-F151 HydrophobicContact CB-CB 4.17Å; P146-F151 HydrophobicContact CB-CD2 3.68Å; P146-F151 HydrophobicContact CB-CE2 4.41Å; P146-F151 HydrophobicContact CB-CG 4.14Å; D147-F151 PolarHBondContact O-N 3.49Å
152P87.5Confident88.6Confident87 Ų8776.5 Ų76.557%0.56540%0.401SS*.PPolyproline II helixtrans-66.7168.6178.128.5-34.7000112S221P152-S221 PolarHBondContact O-OG 3.01Å; P152-S221 VanDerWaalsContact O-OG 3.11Å
153P88.6Confident88.8Confident50 Ų5080.4 Ų80.433%0.32543%0.428SS..PPolyproline II helixtrans-54.4141.7172.3-23.432.8000111.7V222 P223 V225P153-V222 WeakPolarHBondContact CA-O 3.4Å; P153-V222 WeakPolarHBondContact CB-O 3.2Å; P153-V222 WeakPolarHBondContact CG-O 3.27Å; P153-P223 WeakPolarHBondContact CB-O 3.25Å; P153-V225 HydrophobicContact CG-CG1 4.48Å
154L91.3Very high89.1Confident87 Ų8782.8 Ų82.846%0.45544%0.441SS..PPolyproline II helixtrans-69.2147.6173.1-85.669.2000110D156 S221 Y312L154-D156 PolarHBondContact O-N 2.87Å; L154-S221 WeakPolarHBondContact CD1-OG 3.45Å; L154-Y312 HydrophobicContact CB-CE1 3.98Å; L154-Y312 PolarHBondContact N-OH 2.97Å
155P91.9Very high89.5Confident119 Ų11977.5 Ų77.577%0.77342%0.423SS*.PPolyproline II helixtrans-62.8126.2175.726.9-34000110.1
156D93.6Very high89.7Confident16 Ų1682.1 Ų82.19%0.08645%0.453CS..  trans-135.6116.7-179-175.4-43.9000108.9L154 F158 L159 D160 Y312 S313L154-D156 PolarHBondContact O-N 2.87Å; D156-F158 PolarHBondContact O-N 2.71Å; D156-F158 PolarHBondContact OD1-N 2.99Å; D156-L159 HydrophobicContact CB-CB 4.15Å; D156-L159 HydrophobicContact CB-CD1 4.44Å; D156-L159 HydrophobicContact CB-CD2 4.37Å; D156-L159 PolarHBondContact O-N 3.41Å; D156-L159 VanDerWaalsContact O-N 3.15Å; D156-D160 PolarHBondContact N-OD2 2.86Å; D156-D160 WeakPolarHBondContact O-CB 3.34Å; D156-D160 PolarHBondContact O-N 3.28Å; D156-Y312 HydrophobicContact CB-CD1 4.26Å; D156-S313 VanDerWaalsContact CG-OG 3.3Å; D156-S313 VanDerWaalsContact OD1-CB 3.31Å; D156-S313 WeakPolarHBondContact OD1-CB 3.41Å; D156-S313 PolarHBondContact OD1-OG 2.94Å; D156-S313 WeakPolarHBondContact OD2-CB 3.48Å; D156-S313 PolarHBondContact OD2-N 2.85Å; D156-S313 PolarHBondContact OD2-OG 3.22Å
157I94.6Very high90.2Very high141 Ų14187.5 Ų87.572%0.72347%0.469SS*.Hα-helixtrans-54.5-35-172.5-62.2169.8000111.9N161I157-N161 PolarHBondContact O-ND2 2.93Å
158F94.1Very high90.8Very high59 Ų5984 Ų8426%0.25945%0.451SS..Hα-helixtrans-77.5-47.9-179.3-167.4-85.8000111.4D156 D160 N161 I162 F303 L306 S313D156-F158 PolarHBondContact O-N 2.71Å; D156-F158 PolarHBondContact OD1-N 2.99Å; F158-D160 VanDerWaalsContact C-N 3.26Å; F158-D160 PolarHBondContact O-N 3.34Å; F158-N161 PolarHBondContact O-N 2.85Å; F158-I162 HydrophobicContact CD1-CD1 3.68Å; F158-I162 HydrophobicContact CD2-CD1 3.98Å; F158-I162 HydrophobicContact CE1-CB 4.41Å; F158-I162 HydrophobicContact CE1-CD1 3.19Å; F158-I162 HydrophobicContact CE1-CG1 4.34Å; F158-I162 HydrophobicContact CE2-CD1 3.53Å; F158-I162 HydrophobicContact CG-CD1 4.06Å; F158-I162 HydrophobicContact CZ-CD1 3.13Å; F158-I162 PolarHBondContact O-N 3.35Å; F158-I162 VanDerWaalsContact O-N 3.12Å; F158-F303 AromaticContact CZ-CD2 3.94Å; F158-F303 HydrophobicContact CZ-CD2 3.94Å; F158-F303 HydrophobicContact CZ-CE2 4.04Å; F158-L306 HydrophobicContact CD1-CB 3.6Å; F158-L306 HydrophobicContact CD1-CD1 4.06Å; F158-L306 HydrophobicContact CD1-CG 4.33Å; F158-L306 HydrophobicContact CD2-CD1 4.28Å; F158-L306 HydrophobicContact CE1-CB 3.21Å; F158-L306 HydrophobicContact CE1-CD1 3.88Å; F158-L306 HydrophobicContact CE1-CG 4.16Å; F158-L306 HydrophobicContact CE2-CD1 4.11Å; F158-L306 HydrophobicContact CG-CD1 4.23Å; F158-L306 HydrophobicContact CZ-CB 3.92Å; F158-L306 HydrophobicContact CZ-CD1 3.89Å; F158-S313 WeakPolarHBondContact CB-OG 3.29Å
159L92.1Very high91.4Very high13 Ų1383 Ų837%0.06844%0.44CS..Hα-helixtrans-67-29.3-177.5-79.357.4000111.5D156 N161 P223 L306 H309D156-L159 HydrophobicContact CB-CB 4.15Å; D156-L159 HydrophobicContact CB-CD1 4.44Å; D156-L159 HydrophobicContact CB-CD2 4.37Å; D156-L159 PolarHBondContact O-N 3.41Å; D156-L159 VanDerWaalsContact O-N 3.15Å; L159-N161 VanDerWaalsContact C-N 3.34Å; L159-P223 HydrophobicContact CD2-CB 3.89Å; L159-L306 HydrophobicContact CD1-CD2 4.42Å; L159-H309 HydrophobicContact CD2-CB 4.46Å; L159-H309 HydrophobicContact CG-CB 4.47Å; L159-H309 PolarHBondContact O-CE1 2.95Å
160D93.1Very high92Very high114 Ų11477.6 Ų77.661%0.6142%0.42SS*.Hα-helixtrans-73.4-25.8176.7-68.7-23.3000112.7D156 F158D156-D160 PolarHBondContact N-OD2 2.86Å; D156-D160 WeakPolarHBondContact O-CB 3.34Å; D156-D160 PolarHBondContact O-N 3.28Å; F158-D160 VanDerWaalsContact C-N 3.26Å; F158-D160 PolarHBondContact O-N 3.34Å
161N95.1Very high92.5Very high127 Ų12774.2 Ų74.268%0.67940%0.402SS*.Hα-helixtrans-101.3-12.3-175.4-75.6-61.1000114.1I157 F158 L159I157-N161 PolarHBondContact O-ND2 2.93Å; F158-N161 PolarHBondContact O-N 2.85Å; L159-N161 VanDerWaalsContact C-N 3.34Å
162I93.5Very high93Very high44 Ų4468.6 Ų68.623%0.22638%0.377CS..SBendtrans-115.9134.4-178.1-75.2166.6000109.5F158 F303 H309F158-I162 HydrophobicContact CD1-CD1 3.68Å; F158-I162 HydrophobicContact CD2-CD1 3.98Å; F158-I162 HydrophobicContact CE1-CB 4.41Å; F158-I162 HydrophobicContact CE1-CD1 3.19Å; F158-I162 HydrophobicContact CE1-CG1 4.34Å; F158-I162 HydrophobicContact CE2-CD1 3.53Å; F158-I162 HydrophobicContact CG-CD1 4.06Å; F158-I162 HydrophobicContact CZ-CD1 3.13Å; F158-I162 PolarHBondContact O-N 3.35Å; F158-I162 VanDerWaalsContact O-N 3.12Å; I162-F303 HydrophobicContact CD1-CE2 4.4Å; I162-H309 PolarHBondContact O-CE1 3.17Å; I162-H309 PolarHBondContact O-NE2 3.07Å
163P93.2Very high93.4Very high101 Ų10164.5 Ų64.566%0.65635%0.35SS*.  trans-72.3145.9175.230-34.7000111I165P163-I165 PolarHBondContact O-N 2.85Å
164L93.3Very high93.7Very high70 Ų7067 Ų6737%0.36636%0.36SS..  trans-57.3124.2174.1172.264.4000111.5H226 A308 H309L164-H226 HydrophobicContact CD2-CB 4.01Å; L164-A308 WeakPolarHBondContact CD1-O 3.37Å; L164-H309 HydrophobicContact CD1-CB 4Å
165I94.8Very high94Very high40 Ų4064 Ų6421%0.20534%0.344CS..  trans-110.1104.3173-55.8-176.5000108.9P163 W167 A168 A307P163-I165 PolarHBondContact O-N 2.85Å; I165-W167 HydrophobicContact CG2-CD2 3.67Å; I165-W167 HydrophobicContact CG2-CE3 4.29Å; I165-W167 HydrophobicContact CG2-CG 4.07Å; I165-W167 HydrophobicContact CG2-CH2 4.12Å; I165-W167 HydrophobicContact CG2-CZ2 3.49Å; I165-W167 VanDerWaalsContact CG2-CZ2 3.49Å; I165-W167 HydrophobicContact CG2-CZ3 4.48Å; I165-W167 PolarHBondContact O-N 3.36Å; I165-A168 HydrophobicContact CB-CB 3.95Å; I165-A168 HydrophobicContact CG2-CB 3.87Å; I165-A168 VanDerWaalsContact O-CB 3.3Å; I165-A168 WeakPolarHBondContact O-CB 3.47Å; I165-A168 PolarHBondContact O-N 3.42Å; I165-A307 HydrophobicContact CB-CB 4.37Å; I165-A307 HydrophobicContact CD1-CB 4.12Å; I165-A307 HydrophobicContact CG1-CB 4.35Å; I165-A307 PolarHBondContact N-O 2.85Å
166P90.7Very high94.2Very high104 Ų10458.8 Ų58.868%0.67531%0.311SS*.THydrogen-bonded Turntrans-69.3-28.7-168.925.9-34.8000114.3A168P166-A168 VanDerWaalsContact C-N 3.32Å
167W93.6Very high94.3Very high148 Ų14860.8 Ų60.856%0.56133%0.325SS*.THydrogen-bonded Turntrans-83.8-7.5178.756.2-100.7000113.3I165 F169 D170 A171 F304I165-W167 HydrophobicContact CG2-CD2 3.67Å; I165-W167 HydrophobicContact CG2-CE3 4.29Å; I165-W167 HydrophobicContact CG2-CG 4.07Å; I165-W167 HydrophobicContact CG2-CH2 4.12Å; I165-W167 HydrophobicContact CG2-CZ2 3.49Å; I165-W167 VanDerWaalsContact CG2-CZ2 3.49Å; I165-W167 HydrophobicContact CG2-CZ3 4.48Å; I165-W167 PolarHBondContact O-N 3.36Å; W167-F169 VanDerWaalsContact C-N 3.33Å; W167-F169 PolarHBondContact O-N 2.95Å; W167-D170 PolarHBondContact O-N 3.48Å; W167-A171 HydrophobicContact CE3-CB 4.08Å; W167-A171 HydrophobicContact CZ3-CB 4.22Å; W167-A171 PolarHBondContact O-N 3.31Å; W167-A171 VanDerWaalsContact O-N 3.13Å; W167-F304 HydrophobicContact CH2-CE1 4.16Å; W167-F304 HydrophobicContact CZ3-CD1 4.43Å; W167-F304 AromaticContact CZ3-CE1 3.97Å; W167-F304 HydrophobicContact CZ3-CE1 3.97Å; W167-F304 HydrophobicContact CZ3-CZ 4.25Å
168A95.3Very high94.4Very high0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-65.9-37.3-173.600000111.7I165 P166 A171 C172 F304 A307 A308I165-A168 HydrophobicContact CB-CB 3.95Å; I165-A168 HydrophobicContact CG2-CB 3.87Å; I165-A168 VanDerWaalsContact O-CB 3.3Å; I165-A168 WeakPolarHBondContact O-CB 3.47Å; I165-A168 PolarHBondContact O-N 3.42Å; P166-A168 VanDerWaalsContact C-N 3.32Å; A168-A171 WeakPolarHBondContact O-CB 3.27Å; A168-A171 PolarHBondContact O-N 3.47Å; A168-C172 PolarHBondContact O-N 3.22Å; A168-F304 HydrophobicContact CB-CB 4.06Å; A168-F304 HydrophobicContact CB-CD1 4.14Å; A168-F304 HydrophobicContact CB-CG 4.38Å; A168-F304 WeakPolarHBondContact CB-O 3.47Å; A168-F304 WeakPolarHBondContact O-CB 3.34Å; A168-A307 HydrophobicContact CB-CB 4.18Å; A168-A308 HydrophobicContact CB-CB 4.17Å
169F93.1Very high94.6Very high27 Ų2756 Ų5612%0.11830%0.3CS..Hα-helixtrans-62.3-48.1179.6-163.3-101.6000111.9W167 A171 C172 E173 S253 H268 A308 E310W167-F169 VanDerWaalsContact C-N 3.33Å; W167-F169 PolarHBondContact O-N 2.95Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.26Å; F169-C172 WeakPolarHBondContact O-CB 3.48Å; F169-C172 PolarHBondContact O-N 3.04Å; F169-E173 HydrophobicContact CD1-CG 4.46Å; F169-E173 HydrophobicContact CE1-CG 4.28Å; F169-E173 WeakPolarHBondContact CE1-OE1 2.99Å; F169-E173 PolarHBondContact O-N 2.6Å; F169-S253 VanDerWaalsContact CD1-OG 3.24Å; F169-S253 WeakPolarHBondContact CD1-OG 3.1Å; F169-S253 VanDerWaalsContact CE1-OG 3.29Å; F169-S253 WeakPolarHBondContact CE1-OG 3.5Å; F169-H268 AromaticContact CZ-CE1 3.51Å; F169-H268 AromaticContact CZ-ND1 3.76Å; F169-H268 AromaticContact CZ-NE2 3.98Å; F169-A308 HydrophobicContact CB-CB 3.71Å; F169-A308 HydrophobicContact CD2-CB 4.27Å; F169-A308 HydrophobicContact CG-CB 4.48Å; F169-E310 HydrophobicContact CB-CG 4.38Å; F169-E310 HydrophobicContact CD2-CB 3.89Å; F169-E310 HydrophobicContact CD2-CG 3.63Å; F169-E310 HydrophobicContact CE2-CB 3.94Å; F169-E310 HydrophobicContact CE2-CG 4.08Å; F169-E310 HydrophobicContact CG-CG 4.05Å
170D93.6Very high94.8Very high71 Ų7155.9 Ų55.938%0.3830%0.301SS..Hα-helixtrans-59.8-39175.5-62.8-28.2000111.6W167 C172 E173 I174W167-D170 PolarHBondContact O-N 3.48Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 3.34Å; D170-E173 PolarHBondContact O-N 2.72Å; D170-I174 VanDerWaalsContact O-CG1 3.31Å; D170-I174 WeakPolarHBondContact O-CG1 3.07Å; D170-I174 PolarHBondContact O-N 2.82Å
171A95.7Very high95Very high22 Ų2254.5 Ų54.518%0.18230%0.297CS..Hα-helixtrans-63.3-38.4175.600000112.3W167 A168 F169 I174 L175 F304W167-A171 HydrophobicContact CE3-CB 4.08Å; W167-A171 HydrophobicContact CZ3-CB 4.22Å; W167-A171 PolarHBondContact O-N 3.31Å; W167-A171 VanDerWaalsContact O-N 3.13Å; A168-A171 WeakPolarHBondContact O-CB 3.27Å; A168-A171 PolarHBondContact O-N 3.47Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.26Å; A171-I174 PolarHBondContact O-N 2.64Å; A171-L175 WeakPolarHBondContact O-CG 3.46Å; A171-L175 PolarHBondContact O-N 3.44Å; A171-F304 HydrophobicContact CB-CD2 3.94Å; A171-F304 HydrophobicContact CB-CE2 4.09Å; A171-F304 HydrophobicContact CB-CG 4.49Å
172C95.5Very high95.1Very high1 Ų150.1 Ų50.11%0.00727%0.273CS..Hα-helixtrans-62.5-44.5172.7175.80000111.7A168 F169 D170 I174 L175 A176 F304 I305A168-C172 PolarHBondContact O-N 3.22Å; F169-C172 WeakPolarHBondContact O-CB 3.48Å; F169-C172 PolarHBondContact O-N 3.04Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 3.34Å; C172-I174 VanDerWaalsContact C-N 3.33Å; C172-I174 PolarHBondContact O-N 2.8Å; C172-L175 PolarHBondContact O-N 3.03Å; C172-A176 PolarHBondContact O-N 3.24Å; C172-F304 HydrophobicContact CB-CB 4.09Å; C172-I305 HydrophobicContact CB-CG1 4.11Å; C172-I305 WeakPolarHBondContact SG-CG1 3.12Å
173E94.5Very high95.3Very high0 Ų048.3 Ų48.30%026%0.264CS..Hα-helixtrans-62.6-40.7178.2-64.4-159.8159.500111.9F169 D170 L175 A176 C177 L252 S253 L254 H268F169-E173 HydrophobicContact CD1-CG 4.46Å; F169-E173 HydrophobicContact CE1-CG 4.28Å; F169-E173 WeakPolarHBondContact CE1-OE1 2.99Å; F169-E173 PolarHBondContact O-N 2.6Å; D170-E173 PolarHBondContact O-N 2.72Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.17Å; E173-A176 WeakPolarHBondContact O-CB 3.48Å; E173-A176 PolarHBondContact O-N 2.92Å; E173-C177 PolarHBondContact O-N 2.9Å; E173-C177 PolarHBondContact O-SG 2.96Å; E173-C177 VanDerWaalsContact O-SG 3.38Å; E173-L252 HydrophobicContact CB-CD2 4.36Å; E173-L252 HydrophobicContact CG-CD2 4.17Å; E173-L252 WeakPolarHBondContact OE1-CA 3.48Å; E173-S253 VanDerWaalsContact CD-N 3.33Å; E173-S253 PolarHBondContact OE1-N 3Å; E173-S253 PolarHBondContact OE1-OG 3.49Å; E173-S253 VanDerWaalsContact OE1-OG 3.09Å; E173-S253 PolarHBondContact OE2-N 3.34Å; E173-S253 PolarHBondContact OE2-OG 3.23Å; E173-L254 HydrophobicContact CB-CD1 3.66Å; E173-L254 HydrophobicContact CB-CG 4.21Å; E173-L254 WeakPolarHBondContact OE2-CB 3.49Å; E173-L254 WeakPolarHBondContact OE2-CD1 3.41Å; E173-L254 WeakPolarHBondContact OE2-CG 3.29Å; E173-L254 PolarHBondContact OE2-N 2.74Å; E173-H268 IonicContact OE1-NE2 2.73Å; E173-H268 PolarHBondContact OE1-NE2 3.48Å
174I95.8Very high95.4Very high104 Ų10447 Ų4753%0.53325%0.254SS..Hα-helixtrans-59.9-44.6174-67.9165.8000110.9D170 A171 C172 A176 C177 F178 L254D170-I174 VanDerWaalsContact O-CG1 3.31Å; D170-I174 WeakPolarHBondContact O-CG1 3.07Å; D170-I174 PolarHBondContact O-N 2.82Å; A171-I174 PolarHBondContact O-N 2.64Å; C172-I174 VanDerWaalsContact C-N 3.33Å; C172-I174 PolarHBondContact O-N 2.8Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.4Å; I174-C177 PolarHBondContact O-N 3.31Å; I174-F178 WeakPolarHBondContact O-CB 3.19Å; I174-F178 PolarHBondContact O-N 3.2Å; I174-L254 HydrophobicContact CG1-CD1 4.5Å
175L97.1Very high95.5Very high24 Ų2447 Ų4713%0.12626%0.257CS..Hα-helixtrans-63.5-39.6175.9-71.5176.9000112.1A171 C172 E173 F178 L179 F297 F300 A301 F304A171-L175 WeakPolarHBondContact O-CG 3.46Å; A171-L175 PolarHBondContact O-N 3.44Å; C172-L175 PolarHBondContact O-N 3.03Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.17Å; L175-F178 PolarHBondContact O-N 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.18Å; L175-L179 PolarHBondContact O-N 3.41Å; L175-F297 HydrophobicContact CD2-CB 4.33Å; L175-F297 HydrophobicContact CD2-CD1 3.6Å; L175-F297 HydrophobicContact CD2-CE1 4.02Å; L175-F297 HydrophobicContact CD2-CG 3.97Å; L175-F300 HydrophobicContact CD1-CB 4.02Å; L175-A301 HydrophobicContact CB-CB 4.39Å; L175-A301 HydrophobicContact CD1-CB 4.2Å; L175-F304 HydrophobicContact CD1-CD2 3.9Å; L175-F304 HydrophobicContact CD1-CE2 3.92Å
176A96Very high95.5Very high8 Ų845.5 Ų45.57%0.06625%0.249CC..Hα-helixtrans-63.5-44.7175.800000111.7C172 E173 I174 F178 L179 G180 V272C172-A176 PolarHBondContact O-N 3.24Å; E173-A176 WeakPolarHBondContact O-CB 3.48Å; E173-A176 PolarHBondContact O-N 2.92Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.4Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.39Å; A176-L179 PolarHBondContact O-N 2.75Å; A176-G180 PolarHBondContact O-N 3.45Å; A176-V272 HydrophobicContact CB-CG1 3.57Å
177C95.6Very high95.7Very high58 Ų5840.8 Ų40.839%0.39222%0.218SC..Hα-helixtrans-62.4-38.5173.9-71.10000112.1E173 I174 G180 T181E173-C177 PolarHBondContact O-N 2.9Å; E173-C177 PolarHBondContact O-SG 2.96Å; E173-C177 VanDerWaalsContact O-SG 3.38Å; I174-C177 PolarHBondContact O-N 3.31Å; C177-G180 PolarHBondContact O-N 2.99Å; C177-T181 WeakPolarHBondContact O-CB 3.48Å; C177-T181 PolarHBondContact O-N 3.14Å; C177-T181 PolarHBondContact O-OG1 3.47Å
178F96.4Very high95.7Very high101 Ų10137.5 Ų37.544%0.44321%0.211SC..Hα-helixtrans-64.6-50.1176.9-175.8-96.5000111.7I174 L175 A176 G180 T181 I182 F297I174-F178 WeakPolarHBondContact O-CB 3.19Å; I174-F178 PolarHBondContact O-N 3.2Å; L175-F178 PolarHBondContact O-N 3.27Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.39Å; F178-G180 VanDerWaalsContact C-N 3.33Å; F178-G180 PolarHBondContact O-N 2.88Å; F178-T181 WeakPolarHBondContact O-CB 3.48Å; F178-T181 PolarHBondContact O-N 2.76Å; F178-T181 VanDerWaalsContact O-N 3.17Å; F178-I182 HydrophobicContact CD1-CD1 3.86Å; F178-I182 HydrophobicContact CE1-CD1 3.3Å; F178-I182 HydrophobicContact CE1-CG1 4.2Å; F178-I182 HydrophobicContact CZ-CD1 3.91Å; F178-I182 HydrophobicContact CZ-CG1 4.49Å; F178-I182 PolarHBondContact O-N 2.96Å; F178-F297 AromaticContact CD1-CD2 3.88Å; F178-F297 HydrophobicContact CD1-CD2 3.88Å; F178-F297 AromaticContact CD1-CE2 3.65Å; F178-F297 HydrophobicContact CD1-CE2 3.65Å; F178-F297 AromaticContact CE1-CD2 3.94Å; F178-F297 HydrophobicContact CE1-CD2 3.94Å; F178-F297 AromaticContact CE1-CE2 3.35Å; F178-F297 HydrophobicContact CE1-CE2 3.35Å; F178-F297 HydrophobicContact CE1-CZ 4.27Å; F178-F297 HydrophobicContact CZ-CE2 4.32Å
179L97.9Very high95.6Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-60.6-41.6174.3-72.2173.4000111.7L175 A176 T181 I182 W183 V272 F275 I279 F297L175-L179 WeakPolarHBondContact O-CG 3.18Å; L175-L179 PolarHBondContact O-N 3.41Å; A176-L179 PolarHBondContact O-N 2.75Å; L179-T181 VanDerWaalsContact C-N 3.29Å; L179-T181 PolarHBondContact O-N 3.47Å; L179-I182 PolarHBondContact O-N 2.87Å; L179-W183 PolarHBondContact O-N 3.3Å; L179-V272 HydrophobicContact CD1-CB 4.28Å; L179-F275 HydrophobicContact CB-CB 3.93Å; L179-F275 HydrophobicContact CB-CD2 4.25Å; L179-F275 HydrophobicContact CB-CG 4.41Å; L179-I279 HydrophobicContact CB-CD1 4.49Å; L179-I279 HydrophobicContact CD2-CD1 4.03Å; L179-F297 HydrophobicContact CD1-CB 4.25Å; L179-F297 HydrophobicContact CD2-CB 4.27Å; L179-F297 HydrophobicContact CD2-CD2 4.37Å; L179-F297 HydrophobicContact CG-CB 4.37Å
180G96.9Very high95.6Very high10 Ų1039.5 Ų39.510%0.10322%0.22CC..Hα-helixtrans-62.4-34.8175.400000113.2A176 C177 F178 T184A176-G180 PolarHBondContact O-N 3.45Å; C177-G180 PolarHBondContact O-N 2.99Å; F178-G180 VanDerWaalsContact C-N 3.33Å; F178-G180 PolarHBondContact O-N 2.88Å; G180-T184 WeakPolarHBondContact O-CB 3.39Å; G180-T184 PolarHBondContact O-N 2.9Å; G180-T184 PolarHBondContact O-OG1 3.39Å
181T96.8Very high95.4Very high85 Ų8540.3 Ų40.352%0.52122%0.22SC..Hα-helixtrans-68.3-45.5174.7-58.40000111C177 F178 L179 W183 T184 V185C177-T181 WeakPolarHBondContact O-CB 3.48Å; C177-T181 PolarHBondContact O-N 3.14Å; C177-T181 PolarHBondContact O-OG1 3.47Å; F178-T181 WeakPolarHBondContact O-CB 3.48Å; F178-T181 PolarHBondContact O-N 2.76Å; F178-T181 VanDerWaalsContact O-N 3.17Å; L179-T181 VanDerWaalsContact C-N 3.29Å; L179-T181 PolarHBondContact O-N 3.47Å; T181-W183 VanDerWaalsContact C-N 3.33Å; T181-W183 PolarHBondContact O-N 2.78Å; T181-T184 PolarHBondContact O-N 2.86Å; T181-V185 WeakPolarHBondContact O-CG2 3.44Å; T181-V185 PolarHBondContact O-N 3.31Å
182I97.1Very high95.2Very high35 Ų3541 Ų4118%0.17922%0.219CC..Hα-helixtrans-57.4-48.9174.1-68.1172.4000110.3F178 L179 T184 V185 V186 I279 L290F178-I182 HydrophobicContact CD1-CD1 3.86Å; F178-I182 HydrophobicContact CE1-CD1 3.3Å; F178-I182 HydrophobicContact CE1-CG1 4.2Å; F178-I182 HydrophobicContact CZ-CD1 3.91Å; F178-I182 HydrophobicContact CZ-CG1 4.49Å; F178-I182 PolarHBondContact O-N 2.96Å; L179-I182 PolarHBondContact O-N 2.87Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.37Å; I182-V185 WeakPolarHBondContact O-CB 3.14Å; I182-V185 PolarHBondContact O-N 2.83Å; I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.45Å; I182-V186 PolarHBondContact O-N 2.8Å; I182-I279 HydrophobicContact CB-CD1 4.03Å; I182-I279 HydrophobicContact CG2-CD1 3.74Å; I182-I279 HydrophobicContact CG2-CG1 4.03Å; I182-I279 HydrophobicContact CG2-CG2 4.24Å; I182-L290 HydrophobicContact CD1-CD1 4.34Å; I182-L290 HydrophobicContact CG2-CD1 4.05Å
183W97.6Very high95Very high6 Ų646.3 Ų46.32%0.02324%0.239CC..Hα-helixtrans-58.2-45.4177.8171-117.4000112L179 T181 V185 V186 V187 L196 F200 F275 F278 I279 Y282L179-W183 PolarHBondContact O-N 3.3Å; T181-W183 VanDerWaalsContact C-N 3.33Å; T181-W183 PolarHBondContact O-N 2.78Å; W183-V185 VanDerWaalsContact C-N 3.31Å; W183-V185 PolarHBondContact O-N 3.36Å; W183-V186 HydrophobicContact CE3-CB 4.32Å; W183-V186 HydrophobicContact CE3-CG1 4.23Å; W183-V186 HydrophobicContact CZ3-CG1 4.1Å; W183-V186 WeakPolarHBondContact O-CB 3.33Å; W183-V186 PolarHBondContact O-N 3.26Å; W183-V186 VanDerWaalsContact O-N 3.16Å; W183-V187 HydrophobicContact CD2-CG2 3.79Å; W183-V187 HydrophobicContact CE3-CG2 4.02Å; W183-V187 HydrophobicContact CH2-CG2 3.55Å; W183-V187 HydrophobicContact CZ2-CG2 3.27Å; W183-V187 HydrophobicContact CZ3-CG2 3.9Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 3.39Å; W183-L196 HydrophobicContact CH2-CB 4.04Å; W183-L196 HydrophobicContact CH2-CD2 3.94Å; W183-L196 HydrophobicContact CH2-CG 4.09Å; W183-L196 HydrophobicContact CZ2-CB 4.49Å; W183-L196 HydrophobicContact CZ3-CD2 4.24Å; W183-F200 AromaticContact CE2-CD2 3.81Å; W183-F200 HydrophobicContact CZ2-CB 3.96Å; W183-F200 AromaticContact CZ2-CD2 3.96Å; W183-F200 HydrophobicContact CZ2-CD2 3.96Å; W183-F200 HydrophobicContact CZ2-CG 4.11Å; W183-F200 AromaticContact NE1-CD2 3.42Å; W183-F200 AromaticContact NE1-CE2 3.52Å; W183-F200 AromaticContact NE1-CG 3.76Å; W183-F200 AromaticContact NE1-CZ 3.96Å; W183-F275 HydrophobicContact CB-CD1 3.77Å; W183-F275 HydrophobicContact CB-CE1 4.21Å; W183-F275 AromaticContact CD1-CD1 3.72Å; W183-F275 AromaticContact CD1-CE1 3.53Å; W183-F275 AromaticContact CG-CD1 3.82Å; W183-F275 HydrophobicContact CG-CD1 3.82Å; W183-F275 HydrophobicContact CG-CE1 4.08Å; W183-F278 HydrophobicContact CD2-CB 4.13Å; W183-F278 HydrophobicContact CE3-CB 3.8Å; W183-F278 HydrophobicContact CH2-CB 3.96Å; W183-F278 AromaticContact CH2-CD1 3.7Å; W183-F278 HydrophobicContact CH2-CD1 3.7Å; W183-F278 HydrophobicContact CH2-CG 4.13Å; W183-F278 HydrophobicContact CZ2-CB 4.28Å; W183-F278 AromaticContact CZ2-CD1 3.96Å; W183-F278 HydrophobicContact CZ2-CD1 3.96Å; W183-F278 HydrophobicContact CZ2-CG 4.23Å; W183-F278 HydrophobicContact CZ3-CB 3.72Å; W183-F278 HydrophobicContact CZ3-CD1 4.27Å; W183-F278 HydrophobicContact CZ3-CG 4.39Å; W183-I279 HydrophobicContact CB-CD1 4.43Å; W183-I279 HydrophobicContact CB-CG1 4.2Å; W183-Y282 AromaticContact CH2-CD2 3.92Å; W183-Y282 HydrophobicContact CH2-CD2 3.92Å; W183-Y282 AromaticContact CZ3-CD2 3.98Å; W183-Y282 HydrophobicContact CZ3-CD2 3.98Å; W183-Y282 HydrophobicContact CZ3-CG 4.43Å
184T96.3Very high94.9Very high74 Ų7449 Ų4945%0.45425%0.253SS..Hα-helixtrans-59.1-43.4177.5-590000111.3G180 T181 I182 V187 I188G180-T184 WeakPolarHBondContact O-CB 3.39Å; G180-T184 PolarHBondContact O-N 2.9Å; G180-T184 PolarHBondContact O-OG1 3.39Å; T181-T184 PolarHBondContact O-N 2.86Å; I182-T184 VanDerWaalsContact C-N 3.33Å; I182-T184 PolarHBondContact O-N 3.37Å; T184-V187 PolarHBondContact O-N 3.46Å; T184-I188 HydrophobicContact CG2-CD1 3.98Å; T184-I188 VanDerWaalsContact O-CG1 3.26Å; T184-I188 WeakPolarHBondContact O-CG1 3.35Å; T184-I188 PolarHBondContact O-N 3.24Å
185V95.4Very high94.7Very high70 Ų7044.7 Ų44.742%0.42423%0.232SC..Hα-helixtrans-61.3-46.8174.8169.40000111T181 I182 W183 V187 I188 F189T181-V185 WeakPolarHBondContact O-CG2 3.44Å; T181-V185 PolarHBondContact O-N 3.31Å; I182-V185 WeakPolarHBondContact O-CB 3.14Å; I182-V185 PolarHBondContact O-N 2.83Å; W183-V185 VanDerWaalsContact C-N 3.31Å; W183-V185 PolarHBondContact O-N 3.36Å; V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 PolarHBondContact O-N 3.48Å; V185-I188 PolarHBondContact O-N 2.89Å; V185-F189 HydrophobicContact CG1-CD2 3.79Å; V185-F189 HydrophobicContact CG1-CE2 3.93Å; V185-F189 VanDerWaalsContact O-CD2 3.23Å; V185-F189 WeakPolarHBondContact O-CD2 3.49Å; V185-F189 PolarHBondContact O-N 2.82Å; V185-F189 VanDerWaalsContact O-N 3.14Å
186V95.3Very high94.6Very high8 Ų843.5 Ų43.55%0.04823%0.226CC..Hα-helixtrans-55.1-50.1176.41680000110.3I182 W183 I188 F189 H190 T283 Y370I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.45Å; I182-V186 PolarHBondContact O-N 2.8Å; W183-V186 HydrophobicContact CE3-CB 4.32Å; W183-V186 HydrophobicContact CE3-CG1 4.23Å; W183-V186 HydrophobicContact CZ3-CG1 4.1Å; W183-V186 WeakPolarHBondContact O-CB 3.33Å; W183-V186 PolarHBondContact O-N 3.26Å; W183-V186 VanDerWaalsContact O-N 3.16Å; V186-I188 VanDerWaalsContact C-N 3.33Å; V186-I188 PolarHBondContact O-N 3.29Å; V186-F189 PolarHBondContact O-N 3.43Å; V186-H190 VanDerWaalsContact O-CB 3.27Å; V186-H190 WeakPolarHBondContact O-CB 3.47Å; V186-H190 PolarHBondContact O-N 2.84Å; V186-T283 HydrophobicContact CG1-CG2 4.13Å; V186-T283 HydrophobicContact CG2-CG2 3.66Å; V186-Y370 HydrophobicContact CG1-CE1 4.4Å
187V95.1Very high94.5Very high4 Ų446 Ų462%0.02424%0.236CC..Hα-helixtrans-64.2-37-178.7-179.60000112.8W183 T184 V185 F189 R193 L196 M197W183-V187 HydrophobicContact CD2-CG2 3.79Å; W183-V187 HydrophobicContact CE3-CG2 4.02Å; W183-V187 HydrophobicContact CH2-CG2 3.55Å; W183-V187 HydrophobicContact CZ2-CG2 3.27Å; W183-V187 HydrophobicContact CZ3-CG2 3.9Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 3.39Å; T184-V187 PolarHBondContact O-N 3.46Å; V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 PolarHBondContact O-N 3.48Å; V187-F189 VanDerWaalsContact C-N 3.35Å; V187-F189 PolarHBondContact O-N 2.95Å; V187-R193 HydrophobicContact CG1-CB 4.29Å; V187-R193 WeakPolarHBondContact O-CB 3.44Å; V187-L196 HydrophobicContact CG2-CB 4.49Å; V187-L196 HydrophobicContact CG2-CD2 4.36Å; V187-M197 HydrophobicContact CB-CE 3.91Å; V187-M197 HydrophobicContact CG1-CE 3.25Å; V187-M197 HydrophobicContact CG1-CG 3.72Å; V187-M197 HydrophobicContact CG1-SD 3.92Å; V187-M197 HydrophobicContact CG2-CE 4.25Å
188I92.9Very high94.5Very high80 Ų8043.2 Ų43.241%0.4122%0.218SC..Hα-helixtrans-61.6-44.1177.7-73.7167.1000111T184 V185 V186 P373T184-I188 HydrophobicContact CG2-CD1 3.98Å; T184-I188 VanDerWaalsContact O-CG1 3.26Å; T184-I188 WeakPolarHBondContact O-CG1 3.35Å; T184-I188 PolarHBondContact O-N 3.24Å; V185-I188 PolarHBondContact O-N 2.89Å; V186-I188 VanDerWaalsContact C-N 3.33Å; V186-I188 PolarHBondContact O-N 3.29Å; I188-P373 HydrophobicContact CG2-CB 4.16Å; I188-P373 HydrophobicContact CG2-CG 3.75Å; I188-P373 WeakPolarHBondContact O-CB 3.29Å
189F93.1Very high94.4Very high67 Ų6738.4 Ų38.429%0.29420%0.197SC..Hα-helixtrans-89.9-7.1-176.3-68.6-69.6000114.2V185 V186 V187 Y370 E371 W372 P373V185-F189 HydrophobicContact CG1-CD2 3.79Å; V185-F189 HydrophobicContact CG1-CE2 3.93Å; V185-F189 VanDerWaalsContact O-CD2 3.23Å; V185-F189 WeakPolarHBondContact O-CD2 3.49Å; V185-F189 PolarHBondContact O-N 2.82Å; V185-F189 VanDerWaalsContact O-N 3.14Å; V186-F189 PolarHBondContact O-N 3.43Å; V187-F189 VanDerWaalsContact C-N 3.35Å; V187-F189 PolarHBondContact O-N 2.95Å; F189-Y370 HydrophobicContact CB-CD1 3.78Å; F189-Y370 HydrophobicContact CB-CE1 4.47Å; F189-Y370 CarbonylContact O-C 3.59Å; F189-Y370 WeakPolarHBondContact O-CA 3.29Å; F189-Y370 WeakPolarHBondContact O-CB 3.26Å; F189-Y370 WeakPolarHBondContact O-CD1 3.3Å; F189-E371 PolarHBondContact O-N 3.01Å; F189-E371 VanDerWaalsContact O-O 3.05Å; F189-W372 HydrophobicContact CD1-CE3 4.23Å; F189-W372 HydrophobicContact CD1-CZ3 4.46Å; F189-W372 HydrophobicContact CE1-CD2 4.48Å; F189-W372 AromaticContact CE1-CE3 3.53Å; F189-W372 HydrophobicContact CE1-CE3 3.53Å; F189-W372 HydrophobicContact CE1-CH2 4.23Å; F189-W372 AromaticContact CE1-CZ3 3.4Å; F189-W372 HydrophobicContact CE1-CZ3 3.4Å; F189-W372 AromaticContact CZ-CZ3 3.96Å; F189-W372 HydrophobicContact CZ-CZ3 3.96Å; F189-P373 HydrophobicContact CD1-CG 4.32Å; F189-P373 HydrophobicContact CE1-CG 4.14Å
190H93.3Very high94.4Very high1 Ų139.5 Ų39.51%0.00520%0.201CC..BIsolated β-bridgetrans-79131.8-178.9-159.1-77.3000111.6V186 H192 R193 L196 P367V186-H190 VanDerWaalsContact O-CB 3.27Å; V186-H190 WeakPolarHBondContact O-CB 3.47Å; V186-H190 PolarHBondContact O-N 2.84Å; H190-H192 VanDerWaalsContact C-N 3.32Å; H190-H192 PolarHBondContact ND1-N 2.8Å; H190-H192 VanDerWaalsContact ND1-N 3.12Å; H190-H192 PolarHBondContact O-N 3.45Å; H190-R193 PolarHBondContact O-N 3.44Å; H190-L196 HydrophobicContact CB-CD2 3.78Å; H190-P367 PolarHBondContact CE1-O 3.31Å
191K89.4Confident94.3Very high88 Ų8841.1 Ų41.138%0.38321%0.206SC..THydrogen-bonded Turntrans-55.9-45.7178.2-176.1-177.1-172.3-172.60112.5R193 E369 E371K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 2.95Å; K191-E369 HydrophobicContact CB-CB 4.25Å; K191-E369 VanDerWaalsContact CB-O 3.24Å; K191-E369 WeakPolarHBondContact CB-O 3.41Å; K191-E369 HydrophobicContact CD-CB 4Å; K191-E369 VanDerWaalsContact CD-OE2 3.23Å; K191-E369 WeakPolarHBondContact CD-OE2 3.5Å; K191-E369 PolarHBondContact N-O 3.34Å; K191-E369 IonicContact NZ-OE2 3.36Å; K191-E369 PolarHBondContact NZ-OE2 3.16Å; K191-E371 HydrophobicContact CB-CG 4.19Å; K191-E371 HydrophobicContact CG-CG 4.47Å
192H90.7Very high94.2Very high37 Ų3737.2 Ų37.217%0.17118%0.182CC..THydrogen-bonded Turntrans-87.732.5-179-58-79.8000114.7H190 L194 V195 L196 Q362 V366 P367H190-H192 VanDerWaalsContact C-N 3.32Å; H190-H192 PolarHBondContact ND1-N 2.8Å; H190-H192 VanDerWaalsContact ND1-N 3.12Å; H190-H192 PolarHBondContact O-N 3.45Å; H192-L194 VanDerWaalsContact C-N 3.27Å; H192-L194 PolarHBondContact O-N 2.99Å; H192-V195 PolarHBondContact O-N 2.89Å; H192-L196 HydrophobicContact CB-CD1 4.33Å; H192-L196 WeakPolarHBondContact O-CD1 3.5Å; H192-L196 PolarHBondContact O-N 3.34Å; H192-Q362 PolarHBondContact CE1-OE1 2.99Å; H192-Q362 PolarHBondContact ND1-OE1 3.28Å; H192-Q362 VanDerWaalsContact ND1-OE1 3.09Å; H192-V366 HydrophobicContact CB-CG1 3.74Å; H192-P367 WeakPolarHBondContact NE2-CG 3.48Å
193R91.8Very high94.2Very high112 Ų11235.7 Ų35.742%0.42317%0.174SC..Hα-helixtrans-43.6-40.9-17561.2-171.3174.6-833.2116.4V187 H190 K191 V195 L196 M197 E371V187-R193 HydrophobicContact CG1-CB 4.29Å; V187-R193 WeakPolarHBondContact O-CB 3.44Å; H190-R193 PolarHBondContact O-N 3.44Å; K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 2.95Å; R193-V195 PolarHBondContact O-N 3.29Å; R193-L196 PolarHBondContact O-N 3.21Å; R193-M197 WeakPolarHBondContact O-CG 3.49Å; R193-M197 PolarHBondContact O-N 3.28Å; R193-E371 IonicContact NH1-OE1 3.13Å; R193-E371 PolarHBondContact NH1-OE1 3.14Å
194L91.7Very high94.1Very high57 Ų5735.7 Ų35.730%0.29818%0.175SC..Hα-helixtrans-65.9-38.9-178.6-67.2178.1000111.9I117 T120 H192 R198I117-L194 HydrophobicContact CG1-CD1 3.72Å; T120-L194 HydrophobicContact CG2-CD2 4.25Å; T120-L194 PolarHBondContact OG1-O 3.12Å; H192-L194 VanDerWaalsContact C-N 3.27Å; H192-L194 PolarHBondContact O-N 2.99Å; L194-R198 VanDerWaalsContact O-CB 3.28Å; L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 3.44Å
195V91.9Very high94.1Very high13 Ų1332.1 Ų32.18%0.07915%0.153CC..Hα-helixtrans-67.5-45.3178-179.50000109.9H192 R193 M197 R198 R199 V366H192-V195 PolarHBondContact O-N 2.89Å; R193-V195 PolarHBondContact O-N 3.29Å; V195-M197 PolarHBondContact O-N 3.36Å; V195-R198 PolarHBondContact O-N 2.85Å; V195-R199 HydrophobicContact CG1-CG 4.39Å; V195-R199 WeakPolarHBondContact O-CB 3.48Å; V195-R199 VanDerWaalsContact O-CG 3.29Å; V195-R199 WeakPolarHBondContact O-CG 3.39Å; V195-R199 PolarHBondContact O-N 3.21Å; V195-V366 HydrophobicContact CG1-CG2 4Å
196L94.7Very high94Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-58.1-49.1176.6-86.164.4000111.4W183 V187 H190 H192 R193 R198 R199 F200 Y282 V366W183-L196 HydrophobicContact CH2-CB 4.04Å; W183-L196 HydrophobicContact CH2-CD2 3.94Å; W183-L196 HydrophobicContact CH2-CG 4.09Å; W183-L196 HydrophobicContact CZ2-CB 4.49Å; W183-L196 HydrophobicContact CZ3-CD2 4.24Å; V187-L196 HydrophobicContact CG2-CB 4.49Å; V187-L196 HydrophobicContact CG2-CD2 4.36Å; H190-L196 HydrophobicContact CB-CD2 3.78Å; H192-L196 HydrophobicContact CB-CD1 4.33Å; H192-L196 WeakPolarHBondContact O-CD1 3.5Å; H192-L196 PolarHBondContact O-N 3.34Å; R193-L196 PolarHBondContact O-N 3.21Å; L196-R198 PolarHBondContact O-N 2.94Å; L196-R199 PolarHBondContact O-N 2.85Å; L196-F200 VanDerWaalsContact O-CB 3.28Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.47Å; L196-Y282 HydrophobicContact CD1-CD1 3.45Å; L196-Y282 VanDerWaalsContact CD1-CD1 3.45Å; L196-Y282 HydrophobicContact CD1-CE1 3.59Å; L196-Y282 HydrophobicContact CD1-CG 4.16Å; L196-Y282 HydrophobicContact CD2-CD1 3.96Å; L196-Y282 HydrophobicContact CD2-CD2 4.45Å; L196-Y282 HydrophobicContact CD2-CG 3.82Å; L196-Y282 HydrophobicContact CG-CD1 3.51Å; L196-Y282 HydrophobicContact CG-CD2 4.11Å; L196-Y282 HydrophobicContact CG-CE1 3.78Å; L196-Y282 HydrophobicContact CG-CE2 4.41Å; L196-Y282 HydrophobicContact CG-CG 3.68Å; L196-V366 HydrophobicContact CD1-CG1 4.17Å
197M95.2Very high94Very high59 Ų5930.6 Ų30.629%0.29114%0.144SC..Hα-helixtrans-61.7-43.9178.3-76.3-62.6-171.500112.1T120 V187 R193 V195 R199 F200 F201T120-M197 HydrophobicContact CG2-CB 3.97Å; V187-M197 HydrophobicContact CB-CE 3.91Å; V187-M197 HydrophobicContact CG1-CE 3.25Å; V187-M197 HydrophobicContact CG1-CG 3.72Å; V187-M197 HydrophobicContact CG1-SD 3.92Å; V187-M197 HydrophobicContact CG2-CE 4.25Å; R193-M197 WeakPolarHBondContact O-CG 3.49Å; R193-M197 PolarHBondContact O-N 3.28Å; V195-M197 PolarHBondContact O-N 3.36Å; M197-R199 PolarHBondContact O-N 2.97Å; M197-F200 PolarHBondContact O-N 2.86Å; M197-F201 HydrophobicContact CB-CD2 4.33Å; M197-F201 HydrophobicContact CB-CE2 3.94Å; M197-F201 HydrophobicContact CG-CE2 4.49Å; M197-F201 WeakPolarHBondContact O-CB 3.47Å; M197-F201 WeakPolarHBondContact O-CD2 3.4Å; M197-F201 VanDerWaalsContact O-CG 3.25Å; M197-F201 WeakPolarHBondContact O-CG 3.45Å; M197-F201 PolarHBondContact O-N 2.65Å; M197-F201 HydrophobicContact SD-CE2 4.15Å; M197-F201 HydrophobicContact SD-CZ 3.85Å
198R94.6Very high94Very high1 Ų131.2 Ų31.20%0.00415%0.146CC..Hα-helixtrans-60.4-45.3177.4-176.717868.2-164.16.3112D111 T120 A123 L194 V195 L196 S202 F357 E358D111-R198 IonicContact OD2-NH1 3.08Å; D111-R198 PolarHBondContact OD2-NH1 3.33Å; T120-R198 HydrophobicContact CG2-CB 4.41Å; A123-R198 HydrophobicContact CB-CG 4.05Å; L194-R198 VanDerWaalsContact O-CB 3.28Å; L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 3.44Å; V195-R198 PolarHBondContact O-N 2.85Å; L196-R198 PolarHBondContact O-N 2.94Å; R198-S202 WeakPolarHBondContact O-CB 3.45Å; R198-S202 PolarHBondContact O-N 3.03Å; R198-S202 PolarHBondContact O-OG 3.24Å; R198-F357 WeakPolarHBondContact CD-O 3.39Å; R198-F357 HydrophobicContact CG-CB 3.96Å; R198-F357 HydrophobicContact CG-CD1 3.97Å; R198-F357 HydrophobicContact CG-CG 4.07Å; R198-F357 PolarHBondContact NE-O 2.99Å; R198-F357 PolarHBondContact NH1-O 2.99Å; R198-F357 PolarHBondContact NH2-O 3.34Å; R198-E358 IonicContact CZ-OE1 3.4Å; R198-E358 IonicContact NE-OE1 3.99Å; R198-E358 PolarHBondContact NE-OE1 3.3Å; R198-E358 IonicContact NH2-OE1 3.21Å; R198-E358 PolarHBondContact NH2-OE1 2.86Å; R198-E358 IonicContact NH2-OE2 2.72Å
199R95.2Very high94.1Very high0 Ų030.2 Ų30.20%014%0.141CC..Hα-helixtrans-66.4-42.2177.2-68.1-176.2172.8-176.52.8111.6V195 L196 M197 S202 L203 F278 Y282 Y330 E358V195-R199 HydrophobicContact CG1-CG 4.39Å; V195-R199 WeakPolarHBondContact O-CB 3.48Å; V195-R199 VanDerWaalsContact O-CG 3.29Å; V195-R199 WeakPolarHBondContact O-CG 3.39Å; V195-R199 PolarHBondContact O-N 3.21Å; L196-R199 PolarHBondContact O-N 2.85Å; M197-R199 PolarHBondContact O-N 2.97Å; R199-S202 WeakPolarHBondContact CA-OG 3.43Å; R199-S202 PolarHBondContact O-OG 3.39Å; R199-S202 VanDerWaalsContact O-OG 3.07Å; R199-L203 VanDerWaalsContact O-CB 3.28Å; R199-L203 WeakPolarHBondContact O-CB 3.36Å; R199-L203 PolarHBondContact O-N 2.85Å; R199-F278 HydrophobicContact CB-CE1 4.43Å; R199-Y282 WeakPolarHBondContact CD-OH 3.34Å; R199-Y282 PolarHBondContact NH1-OH 2.86Å; R199-Y282 VanDerWaalsContact NH1-OH 3.08Å; R199-Y330 HydrophobicContact CB-CE1 4.14Å; R199-Y330 HydrophobicContact CG-CE1 3.69Å; R199-Y330 WeakPolarHBondContact CG-OH 3.36Å; R199-E358 IonicContact CZ-OE2 2.71Å; R199-E358 IonicContact NE-OE1 3.96Å; R199-E358 PolarHBondContact NE-OE1 3.37Å; R199-E358 IonicContact NE-OE2 3.71Å; R199-E358 PolarHBondContact NE-OE2 2.95Å; R199-E358 VanDerWaalsContact NE-OE2 3.13Å; R199-E358 IonicContact NH2-OE2 3.34Å; R199-E358 PolarHBondContact NH2-OE2 3.27Å
200F96.6Very high94.1Very high22 Ų2230.7 Ų30.710%0.09615%0.146CC..Hα-helixtrans-59.8-54.2175.8179.4-98.2000112.1W183 L196 M197 S202 L203 V204 F275 F278W183-F200 AromaticContact CE2-CD2 3.81Å; W183-F200 HydrophobicContact CZ2-CB 3.96Å; W183-F200 AromaticContact CZ2-CD2 3.96Å; W183-F200 HydrophobicContact CZ2-CD2 3.96Å; W183-F200 HydrophobicContact CZ2-CG 4.11Å; W183-F200 AromaticContact NE1-CD2 3.42Å; W183-F200 AromaticContact NE1-CE2 3.52Å; W183-F200 AromaticContact NE1-CG 3.76Å; W183-F200 AromaticContact NE1-CZ 3.96Å; L196-F200 VanDerWaalsContact O-CB 3.28Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.47Å; M197-F200 PolarHBondContact O-N 2.86Å; F200-S202 PolarHBondContact O-N 3.31Å; F200-L203 PolarHBondContact O-N 2.99Å; F200-V204 HydrophobicContact CD2-CG2 3.93Å; F200-V204 HydrophobicContact CE1-CG2 4.45Å; F200-V204 HydrophobicContact CE2-CG2 3.72Å; F200-V204 HydrophobicContact CG-CG2 4.38Å; F200-V204 HydrophobicContact CZ-CG2 4Å; F200-V204 WeakPolarHBondContact O-CB 3.41Å; F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.28Å; F200-V204 PolarHBondContact O-N 3.3Å; F200-F275 HydrophobicContact CE2-CD1 4.05Å; F200-F275 AromaticContact CE2-CE1 3.72Å; F200-F275 HydrophobicContact CE2-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CD1 4.49Å; F200-F275 AromaticContact CZ-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CZ 4.41Å; F200-F278 VanDerWaalsContact CA-CZ 3.46Å; F200-F278 HydrophobicContact CB-CE1 4.11Å; F200-F278 HydrophobicContact CB-CZ 4.09Å; F200-F278 HydrophobicContact CD2-CD1 4.44Å; F200-F278 AromaticContact CD2-CD2 3.69Å; F200-F278 HydrophobicContact CD2-CD2 3.69Å; F200-F278 HydrophobicContact CD2-CE1 4.45Å; F200-F278 AromaticContact CD2-CE2 3.69Å; F200-F278 HydrophobicContact CD2-CE2 3.69Å; F200-F278 HydrophobicContact CD2-CG 4.13Å; F200-F278 HydrophobicContact CD2-CZ 4.11Å; F200-F278 HydrophobicContact CE2-CD2 4.24Å; F200-F278 HydrophobicContact CE2-CE2 4.43Å
201F96.6Very high94.1Very high44 Ų4431.1 Ų31.119%0.19315%0.148CC..Hα-helixtrans-62.8-41.7-179.2-65.8-37.6000112.8A123 F127 M197 G205A123-F201 HydrophobicContact CB-CB 4.07Å; A123-F201 WeakPolarHBondContact O-CB 3.48Å; F127-F201 HydrophobicContact CB-CB 3.75Å; F127-F201 HydrophobicContact CB-CD1 3.97Å; F127-F201 HydrophobicContact CB-CG 4.11Å; F127-F201 AromaticContact CD1-CD1 3.62Å; F127-F201 HydrophobicContact CD1-CD1 3.62Å; F127-F201 AromaticContact CD1-CE1 4Å; F127-F201 HydrophobicContact CD1-CE1 4Å; F127-F201 HydrophobicContact CD2-CD1 4.41Å; F127-F201 HydrophobicContact CE1-CD1 4.22Å; F127-F201 HydrophobicContact CE1-CE1 4.31Å; F127-F201 HydrophobicContact CG-CB 4.32Å; F127-F201 AromaticContact CG-CD1 3.73Å; F127-F201 HydrophobicContact CG-CD1 3.73Å; F127-F201 HydrophobicContact CG-CG 4.37Å; M197-F201 HydrophobicContact CB-CD2 4.33Å; M197-F201 HydrophobicContact CB-CE2 3.94Å; M197-F201 HydrophobicContact CG-CE2 4.49Å; M197-F201 WeakPolarHBondContact O-CB 3.47Å; M197-F201 WeakPolarHBondContact O-CD2 3.4Å; M197-F201 VanDerWaalsContact O-CG 3.25Å; M197-F201 WeakPolarHBondContact O-CG 3.45Å; M197-F201 PolarHBondContact O-N 2.65Å; M197-F201 HydrophobicContact SD-CE2 4.15Å; M197-F201 HydrophobicContact SD-CZ 3.85Å; F201-G205 PolarHBondContact O-N 2.92Å
202S94.5Very high94.3Very high4 Ų427.2 Ų27.23%0.02813%0.131CC..Hα-helixtrans-66.9-46.1178.556.10000112.6R198 R199 F200 T206R198-S202 WeakPolarHBondContact O-CB 3.45Å; R198-S202 PolarHBondContact O-N 3.03Å; R198-S202 PolarHBondContact O-OG 3.24Å; R199-S202 WeakPolarHBondContact CA-OG 3.43Å; R199-S202 PolarHBondContact O-OG 3.39Å; R199-S202 VanDerWaalsContact O-OG 3.07Å; F200-S202 PolarHBondContact O-N 3.31Å; S202-T206 WeakPolarHBondContact O-CB 3.37Å; S202-T206 PolarHBondContact O-N 3.45Å; S202-T206 PolarHBondContact O-OG1 2.95Å
203L95.6Very high94.4Very high2 Ų229.1 Ų29.11%0.0115%0.145CC..Hα-helixtrans-67.2-52.5179.7-85.2168.9000112.4R199 F200 G205 T206 V207 F278 L326 F327 Y330R199-L203 VanDerWaalsContact O-CB 3.28Å; R199-L203 WeakPolarHBondContact O-CB 3.36Å; R199-L203 PolarHBondContact O-N 2.85Å; F200-L203 PolarHBondContact O-N 2.99Å; L203-G205 PolarHBondContact O-N 3.46Å; L203-T206 PolarHBondContact O-N 2.98Å; L203-V207 WeakPolarHBondContact O-CG2 3.23Å; L203-V207 PolarHBondContact O-N 3.39Å; L203-F278 HydrophobicContact CB-CZ 4.13Å; L203-F278 HydrophobicContact CD1-CE1 4.39Å; L203-F278 HydrophobicContact CD1-CE2 4.42Å; L203-F278 HydrophobicContact CD1-CZ 3.64Å; L203-L326 HydrophobicContact CD2-CD2 4.09Å; L203-L326 HydrophobicContact CD2-CG 3.86Å; L203-F327 HydrophobicContact CD1-CD2 4.06Å; L203-Y330 HydrophobicContact CD1-CD1 3.83Å; L203-Y330 HydrophobicContact CD1-CD2 4.27Å; L203-Y330 HydrophobicContact CD1-CE1 4.39Å; L203-Y330 HydrophobicContact CD1-CG 3.8Å; L203-Y330 HydrophobicContact CD2-CD2 3.79Å; L203-Y330 HydrophobicContact CD2-CG 3.8Å; L203-Y330 HydrophobicContact CG-CD1 4.33Å; L203-Y330 HydrophobicContact CG-CD2 3.86Å; L203-Y330 HydrophobicContact CG-CE2 4.31Å; L203-Y330 HydrophobicContact CG-CG 3.89Å
204V96.1Very high94.5Very high6 Ų625.1 Ų25.14%0.03613%0.133CC..Hα-helixtrans-63.7-44.7-178.1-179.40000109.8F127 F200 T206 V207 F208 M274 F278F127-V204 HydrophobicContact CD2-CB 4.32Å; F127-V204 HydrophobicContact CD2-CG1 4.26Å; F127-V204 HydrophobicContact CE2-CB 4.11Å; F127-V204 HydrophobicContact CE2-CG1 3.63Å; F200-V204 HydrophobicContact CD2-CG2 3.93Å; F200-V204 HydrophobicContact CE1-CG2 4.45Å; F200-V204 HydrophobicContact CE2-CG2 3.72Å; F200-V204 HydrophobicContact CG-CG2 4.38Å; F200-V204 HydrophobicContact CZ-CG2 4Å; F200-V204 WeakPolarHBondContact O-CB 3.41Å; F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.28Å; F200-V204 PolarHBondContact O-N 3.3Å; V204-T206 VanDerWaalsContact C-N 3.32Å; V204-T206 PolarHBondContact O-N 3.43Å; V204-V207 PolarHBondContact O-N 3.46Å; V204-F208 HydrophobicContact CG1-CD2 3.59Å; V204-F208 HydrophobicContact CG1-CE2 3.57Å; V204-F208 VanDerWaalsContact O-CD2 3.29Å; V204-F208 WeakPolarHBondContact O-CD2 3.38Å; V204-F208 PolarHBondContact O-N 2.87Å; V204-M274 HydrophobicContact CG2-CB 4.28Å; V204-M274 HydrophobicContact CG2-CG 4.19Å; V204-F278 HydrophobicContact CG2-CE2 4.32Å
205G95.4Very high94.4Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-57.6-42.3175.500000113.1F201 L203 F208 M209F201-G205 PolarHBondContact O-N 2.92Å; L203-G205 PolarHBondContact O-N 3.46Å; G205-F208 PolarHBondContact O-N 3.38Å; G205-M209 WeakPolarHBondContact O-CG 3.42Å; G205-M209 PolarHBondContact O-N 2.93Å
206T94.7Very high94.4Very high45 Ų4526 Ų2628%0.27614%0.136SC..Hα-helixtrans-64.2-43.5178.6-58.70000111.8Y126 S202 L203 V204 M209 L210 L326Y126-T206 VanDerWaalsContact OH-CA 3.3Å; Y126-T206 WeakPolarHBondContact OH-CA 3.27Å; Y126-T206 PolarHBondContact OH-N 3.46Å; Y126-T206 PolarHBondContact OH-OG1 3.01Å; S202-T206 WeakPolarHBondContact O-CB 3.37Å; S202-T206 PolarHBondContact O-N 3.45Å; S202-T206 PolarHBondContact O-OG1 2.95Å; L203-T206 PolarHBondContact O-N 2.98Å; V204-T206 VanDerWaalsContact C-N 3.32Å; V204-T206 PolarHBondContact O-N 3.43Å; T206-M209 PolarHBondContact O-N 3.33Å; T206-L210 PolarHBondContact O-N 3.17Å; T206-L326 HydrophobicContact CG2-CD2 3.93Å
207V95.3Very high94.3Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-62.3-49.4175.7179.80000109.9L203 V204 M209 L210 R211 F265 T270 M274 L326L203-V207 WeakPolarHBondContact O-CG2 3.23Å; L203-V207 PolarHBondContact O-N 3.39Å; V204-V207 PolarHBondContact O-N 3.46Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.41Å; V207-L210 WeakPolarHBondContact O-CB 3.39Å; V207-L210 PolarHBondContact O-N 3.21Å; V207-R211 PolarHBondContact O-N 3.43Å; V207-F265 HydrophobicContact CG1-CE2 3.35Å; V207-F265 HydrophobicContact CG1-CZ 3.42Å; V207-F265 VanDerWaalsContact CG1-CZ 3.42Å; V207-F265 WeakPolarHBondContact O-CZ 3.19Å; V207-T270 HydrophobicContact CB-CG2 4.19Å; V207-T270 HydrophobicContact CG1-CG2 3.44Å; V207-T270 VanDerWaalsContact CG1-CG2 3.44Å; V207-M274 HydrophobicContact CB-CE 4.42Å; V207-M274 HydrophobicContact CG2-CE 3.43Å; V207-M274 VanDerWaalsContact CG2-CE 3.43Å; V207-L326 HydrophobicContact CG2-CD2 3.42Å; V207-L326 VanDerWaalsContact CG2-CD2 3.42Å
208F94.8Very high94Very high18 Ų1832.2 Ų32.28%0.07917%0.172CC..Hα-helixtrans-61.7-32.6178.4-83.8-78000113.7I131 T134 V204 G205 R211 C212 T270 V271I131-F208 HydrophobicContact CD1-CB 4.29Å; I131-F208 HydrophobicContact CD1-CD1 4.19Å; I131-F208 HydrophobicContact CD1-CD2 3.76Å; I131-F208 HydrophobicContact CD1-CE1 4.46Å; I131-F208 HydrophobicContact CD1-CE2 4.08Å; I131-F208 HydrophobicContact CD1-CG 3.81Å; I131-F208 HydrophobicContact CD1-CZ 4.41Å; T134-F208 HydrophobicContact CG2-CD1 3.89Å; T134-F208 HydrophobicContact CG2-CE1 4.48Å; V204-F208 HydrophobicContact CG1-CD2 3.59Å; V204-F208 HydrophobicContact CG1-CE2 3.57Å; V204-F208 VanDerWaalsContact O-CD2 3.29Å; V204-F208 WeakPolarHBondContact O-CD2 3.38Å; V204-F208 PolarHBondContact O-N 2.87Å; G205-F208 PolarHBondContact O-N 3.38Å; F208-R211 VanDerWaalsContact O-CB 3.23Å; F208-R211 WeakPolarHBondContact O-CB 3.25Å; F208-R211 PolarHBondContact O-N 3.35Å; F208-C212 PolarHBondContact O-N 3.45Å; F208-C212 PolarHBondContact O-SG 3.37Å; F208-T270 HydrophobicContact CE2-CG2 4.32Å; F208-V271 HydrophobicContact CE2-CG2 3.99Å; F208-V271 HydrophobicContact CZ-CG2 3.7Å
209M94.1Very high93.5Very high58 Ų5834.2 Ų34.229%0.28619%0.186SC..Hα-helixtrans-66.3-39.9172-78.5-58.6-58.900112.9S130 I133 G205 T206 V207 R211 C212 V213S130-M209 WeakPolarHBondContact OG-CG 3.15Å; I133-M209 HydrophobicContact CB-SD 4.36Å; I133-M209 HydrophobicContact CD1-CE 4.35Å; I133-M209 HydrophobicContact CD1-SD 4Å; I133-M209 HydrophobicContact CG2-SD 4.25Å; G205-M209 WeakPolarHBondContact O-CG 3.42Å; G205-M209 PolarHBondContact O-N 2.93Å; T206-M209 PolarHBondContact O-N 3.33Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.41Å; M209-R211 VanDerWaalsContact C-N 3.25Å; M209-R211 PolarHBondContact O-N 2.89Å; M209-C212 WeakPolarHBondContact O-CB 3.29Å; M209-C212 PolarHBondContact O-N 3.41Å; M209-V213 PolarHBondContact O-N 3.32Å
210L93.9Very high93.1Very high78 Ų7836.1 Ų36.141%0.40820%0.196SC..Hα-helixtrans-62.2-38.2172.6-174.665.5000110.8T206 V207 C212 V213 T214 F265 I322T206-L210 PolarHBondContact O-N 3.17Å; V207-L210 WeakPolarHBondContact O-CB 3.39Å; V207-L210 PolarHBondContact O-N 3.21Å; L210-C212 PolarHBondContact O-N 2.96Å; L210-V213 PolarHBondContact O-N 2.8Å; L210-T214 PolarHBondContact O-N 2.91Å; L210-T214 PolarHBondContact O-OG1 2.88Å; L210-F265 HydrophobicContact CB-CE1 4.09Å; L210-F265 HydrophobicContact CB-CZ 4.29Å; L210-F265 HydrophobicContact CD2-CE1 4.14Å; L210-F265 HydrophobicContact CG-CE1 3.95Å; L210-I322 HydrophobicContact CD2-CD1 4.14Å; L210-I322 HydrophobicContact CD2-CG2 3.78Å
211R93Very high92.7Very high10 Ų1035.5 Ų35.54%0.03819%0.194CC..Hα-helixtrans-59-45175-165.3-170.8-178.8-160.4-3.8111.6V207 F208 M209 V213 T214 I215 D262 F265 G267V207-R211 PolarHBondContact O-N 3.43Å; F208-R211 VanDerWaalsContact O-CB 3.23Å; F208-R211 WeakPolarHBondContact O-CB 3.25Å; F208-R211 PolarHBondContact O-N 3.35Å; M209-R211 VanDerWaalsContact C-N 3.25Å; M209-R211 PolarHBondContact O-N 2.89Å; R211-V213 VanDerWaalsContact C-N 3.26Å; R211-V213 PolarHBondContact O-N 3.05Å; R211-T214 WeakPolarHBondContact CA-OG1 3.48Å; R211-T214 PolarHBondContact O-N 3.3Å; R211-T214 PolarHBondContact O-OG1 2.94Å; R211-I215 HydrophobicContact CG-CD1 3.6Å; R211-I215 HydrophobicContact CG-CG1 4.16Å; R211-I215 WeakPolarHBondContact O-CB 3.28Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.23Å; R211-I215 PolarHBondContact O-N 3.45Å; R211-D262 IonicContact CZ-OD2 2.71Å; R211-D262 PolarHBondContact NH2-O 2.92Å; R211-D262 VanDerWaalsContact NH2-O 3.15Å; R211-D262 IonicContact NH2-OD2 3.71Å; R211-D262 PolarHBondContact NH2-OD2 3.48Å; R211-F265 VanDerWaalsContact CA-CE1 3.42Å; R211-F265 HydrophobicContact CB-CD1 4.34Å; R211-F265 HydrophobicContact CB-CD2 4.38Å; R211-F265 HydrophobicContact CB-CE1 3.78Å; R211-F265 HydrophobicContact CB-CE2 3.79Å; R211-F265 HydrophobicContact CB-CZ 3.51Å; R211-F265 VanDerWaalsContact CD-O 3.32Å; R211-F265 WeakPolarHBondContact CD-O 3.43Å; R211-F265 HydrophobicContact CG-CD1 4.43Å; R211-F265 HydrophobicContact CG-CD2 4.18Å; R211-F265 HydrophobicContact CG-CE1 4.33Å; R211-F265 HydrophobicContact CG-CE2 4.06Å; R211-F265 HydrophobicContact CG-CG 4.39Å; R211-F265 HydrophobicContact CG-CZ 4.18Å; R211-F265 WeakPolarHBondContact CG-O 3.31Å; R211-F265 VanDerWaalsContact N-CE1 3.32Å; R211-F265 PolarHBondContact NE-O 2.87Å; R211-G267 VanDerWaalsContact NH1-CA 3.31Å
212C93.9Very high92.4Very high6 Ų633.7 Ų33.74%0.04119%0.187CC..Hα-helixtrans-56.1-42.9176.7-670000111.9I133 T134 V137 F208 M209 L210 M216I133-C212 HydrophobicContact CG2-CB 4.4Å; T134-C212 WeakPolarHBondContact CA-SG 3.44Å; T134-C212 PolarHBondContact OG1-SG 3.41Å; V137-C212 HydrophobicContact CG2-CB 4.17Å; F208-C212 PolarHBondContact O-N 3.45Å; F208-C212 PolarHBondContact O-SG 3.37Å; M209-C212 WeakPolarHBondContact O-CB 3.29Å; M209-C212 PolarHBondContact O-N 3.41Å; L210-C212 PolarHBondContact O-N 2.96Å; C212-M216 WeakPolarHBondContact O-CB 3.23Å; C212-M216 WeakPolarHBondContact O-CG 3.37Å; C212-M216 PolarHBondContact O-N 3.39Å
213V93.4Very high91.9Very high77 Ų7733.9 Ų33.947%0.46719%0.188SC..Hα-helixtrans-66.4-47.1179.4176.20000110.7M209 L210 R211 M216 I217M209-V213 PolarHBondContact O-N 3.32Å; L210-V213 PolarHBondContact O-N 2.8Å; R211-V213 VanDerWaalsContact C-N 3.26Å; R211-V213 PolarHBondContact O-N 3.05Å; V213-M216 PolarHBondContact O-N 2.85Å; V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.4Å; V213-I217 WeakPolarHBondContact O-CD1 3.44Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 2.97Å
214T92.3Very high91.4Very high28 Ų2834.1 Ų34.117%0.17219%0.191CC..Hα-helixtrans-67-43.3-177.353.40000112.7L210 R211 M216 I217 T218 M264L210-T214 PolarHBondContact O-N 2.91Å; L210-T214 PolarHBondContact O-OG1 2.88Å; R211-T214 WeakPolarHBondContact CA-OG1 3.48Å; R211-T214 PolarHBondContact O-N 3.3Å; R211-T214 PolarHBondContact O-OG1 2.94Å; T214-M216 VanDerWaalsContact C-N 3.29Å; T214-M216 PolarHBondContact O-N 3.34Å; T214-I217 PolarHBondContact O-N 3.46Å; T214-T218 PolarHBondContact O-N 2.91Å; T214-M264 WeakPolarHBondContact CB-O 3.42Å; T214-M264 PolarHBondContact OG1-O 3Å
215I91.3Very high90.5Very high1 Ų140 Ų401%0.00523%0.227CC..Hα-helixtrans-63-37.8177.8-65.9176000110.9V137 V141 R211 D262 M264V137-I215 HydrophobicContact CG1-CB 4.35Å; V137-I215 HydrophobicContact CG1-CG2 4.17Å; V141-I215 HydrophobicContact CB-CG2 3.78Å; V141-I215 HydrophobicContact CG1-CG2 3.74Å; V141-I215 HydrophobicContact CG2-CG2 3.61Å; R211-I215 HydrophobicContact CG-CD1 3.6Å; R211-I215 HydrophobicContact CG-CG1 4.16Å; R211-I215 WeakPolarHBondContact O-CB 3.28Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.23Å; R211-I215 PolarHBondContact O-N 3.45Å; I215-D262 HydrophobicContact CD1-CB 3.69Å; I215-M264 WeakPolarHBondContact CG1-O 3.32Å; I215-M264 PolarHBondContact N-O 2.97Å
216M90.9Very high89.6Confident86 Ų8643.3 Ų43.342%0.42424%0.242SC..Hα-helixtrans-71.5-33.8177.9-77.7-65.7-59.200113.3V137 I140 V141 C212 V213 T214V137-M216 HydrophobicContact CG1-CG 3.65Å; V137-M216 HydrophobicContact CG1-SD 3.97Å; V137-M216 HydrophobicContact CG2-CG 4.19Å; V137-M216 HydrophobicContact CG2-SD 4.45Å; I140-M216 HydrophobicContact CG2-CE 4.25Å; I140-M216 HydrophobicContact CG2-SD 3.85Å; V141-M216 HydrophobicContact CG2-SD 3.76Å; C212-M216 WeakPolarHBondContact O-CB 3.23Å; C212-M216 WeakPolarHBondContact O-CG 3.37Å; C212-M216 PolarHBondContact O-N 3.39Å; V213-M216 PolarHBondContact O-N 2.85Å; T214-M216 VanDerWaalsContact C-N 3.29Å; T214-M216 PolarHBondContact O-N 3.34Å
217I91.8Very high88.8Confident126 Ų12641.3 Ų41.365%0.64623%0.229SC*.Hα-helixtrans-71.8-38.1-179.2-71.6167.8000111V213 T214V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.4Å; V213-I217 WeakPolarHBondContact O-CD1 3.44Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 2.97Å; T214-I217 PolarHBondContact O-N 3.46Å
218T88.9Confident87.7Confident65 Ų6548.3 Ų48.340%0.39927%0.267SS..  trans-142.3109.6-175.6-57.80000111.6T214 L220T214-T218 PolarHBondContact O-N 2.91Å; T218-L220 HydrophobicContact CG2-CD2 3.88Å; T218-L220 HydrophobicContact CG2-CG 4.45Å
219S84.7Confident86.8Confident43 Ų4347.7 Ų47.730%0.30127%0.265SS..  trans-83.2115.8167.4-55.30000109.7
220L87.6Confident85.9Confident39 Ų3951.2 Ų51.220%0.20428%0.28CS..PPolyproline II helixtrans-87.8156.8174.8-60.5175.2000111T218 Y263 Y312T218-L220 HydrophobicContact CG2-CD2 3.88Å; T218-L220 HydrophobicContact CG2-CG 4.45Å; L220-Y263 HydrophobicContact CB-CD2 4.35Å; L220-Y312 HydrophobicContact CB-CE2 4.04Å; L220-Y312 HydrophobicContact CD1-CD2 4.03Å; L220-Y312 HydrophobicContact CD1-CE2 4.24Å
221S88Confident84.9Confident10 Ų1050.2 Ų50.27%0.0728%0.283CS..PPolyproline II helixtrans-68.3160.4169.564.40000110.7P152 L154 Y312P152-S221 PolarHBondContact O-OG 3.01Å; P152-S221 VanDerWaalsContact O-OG 3.11Å; L154-S221 WeakPolarHBondContact CD1-OG 3.45Å; S221-Y312 WeakPolarHBondContact O-CE2 3.49Å; S221-Y312 PolarHBondContact O-OH 3.44Å; S221-Y312 PolarHBondContact OG-OH 3.46Å
222V89.3Confident83.9Confident6 Ų657.2 Ų57.24%0.03631%0.31CS..PPolyproline II helixtrans-67.9133.7-176.8-179.20000110.7V145 P153 G224 L227 C229 Y263V145-V222 HydrophobicContact CG2-CG2 3.81Å; P153-V222 WeakPolarHBondContact CA-O 3.4Å; P153-V222 WeakPolarHBondContact CB-O 3.2Å; P153-V222 WeakPolarHBondContact CG-O 3.27Å; V222-G224 WeakPolarHBondContact CG1-O 3.36Å; V222-G224 PolarHBondContact O-N 3.43Å; V222-L227 HydrophobicContact CG1-CB 3.51Å; V222-L227 HydrophobicContact CG1-CD1 3.92Å; V222-L227 HydrophobicContact CG1-CD2 4.14Å; V222-L227 HydrophobicContact CG1-CG 4.08Å; V222-C229 HydrophobicContact CG2-CB 4.08Å; V222-Y263 HydrophobicContact CB-CE2 4.45Å; V222-Y263 HydrophobicContact CG2-CE2 4.23Å
223P85.9Confident82.9Confident8 Ų865.6 Ų65.65%0.05235%0.348CS..SBendtrans-75.1-21-174.526.8-33.3000114.5P153 L159 Y263 H309 E310 Y312P153-P223 WeakPolarHBondContact CB-O 3.25Å; L159-P223 HydrophobicContact CD2-CB 3.89Å; P223-Y263 HydrophobicContact CG-CD1 4.23Å; P223-Y263 HydrophobicContact CG-CE1 3.93Å; P223-H309 WeakPolarHBondContact CG-O 3.17Å; P223-E310 WeakPolarHBondContact CG-O 3.32Å; P223-Y312 HydrophobicContact CB-CD1 4.11Å; P223-Y312 HydrophobicContact CB-CD2 4.37Å; P223-Y312 HydrophobicContact CB-CE1 3.87Å; P223-Y312 HydrophobicContact CB-CE2 4.12Å; P223-Y312 HydrophobicContact CB-CG 4.36Å
224G83.4Confident82.2Confident7 Ų763 Ų637%0.07233%0.334CS..  trans-130.3140.1-176.600000112.7V222 H226 L227V222-G224 WeakPolarHBondContact CG1-O 3.36Å; V222-G224 PolarHBondContact O-N 3.43Å; G224-H226 PolarHBondContact O-N 3.07Å; G224-L227 PolarHBondContact O-N 3.34Å
225V77.8Confident82.1Confident130 Ų13067.4 Ų67.479%0.78836%0.356SS*.THydrogen-bonded Turntrans-69.6-18.3175.3-66.30000113.2P153 L227P153-V225 HydrophobicContact CG-CG1 4.48Å; V225-L227 PolarHBondContact O-N 2.98Å
226H77.5Confident82Confident68 Ų6875.2 Ų75.232%0.31539%0.385SS..THydrogen-bonded Turntrans-74.9-11.6178.464.5-74.7000113.1L164 G224 D228 A308 E310L164-H226 HydrophobicContact CD2-CB 4.01Å; G224-H226 PolarHBondContact O-N 3.07Å; H226-D228 PolarHBondContact O-N 2.8Å; H226-A308 PolarHBondContact CE1-O 2.98Å; H226-A308 PolarHBondContact NE2-O 3.41Å; H226-E310 IonicContact CD2-OE1 3.71Å; H226-E310 PolarHBondContact CD2-OE1 3.46Å; H226-E310 IonicContact CE1-OE1 3.49Å; H226-E310 IonicContact NE2-OE1 3.9Å; H226-E310 PolarHBondContact NE2-OE1 3.31Å
227L76.4Confident82.1Confident3 Ų375.8 Ų75.82%0.01640%0.396CS..  trans-88.898.5173.6-70.5104.3000110.1V222 G224 V225 C229 E310V222-L227 HydrophobicContact CG1-CB 3.51Å; V222-L227 HydrophobicContact CG1-CD1 3.92Å; V222-L227 HydrophobicContact CG1-CD2 4.14Å; V222-L227 HydrophobicContact CG1-CG 4.08Å; G224-L227 PolarHBondContact O-N 3.34Å; V225-L227 PolarHBondContact O-N 2.98Å; L227-C229 PolarHBondContact O-N 3.48Å; L227-E310 WeakPolarHBondContact CD2-OE2 3.49Å
228D72.7Confident82.1Confident148 Ų14872.8 Ų72.879%0.79138%0.383SS*.  trans-73.668.3169.8-86.9-25.6000111.1H226H226-D228 PolarHBondContact O-N 2.8Å
229C77Confident82.2Confident4 Ų470.9 Ų70.93%0.02737%0.369CS..  trans-91116.9175.5-59.80000110V222 L227 C260V222-C229 HydrophobicContact CG2-CB 4.08Å; L227-C229 PolarHBondContact O-N 3.48Å; C229-C260 HydrophobicContact CB-CB 3.65Å; C229-C260 WeakPolarHBondContact CB-SG 3.46Å; C229-C260 WeakPolarHBondContact SG-CB 3.49Å; C229-C260 CovalentContact SG-SG 2.03Å; C229-C260 PolarHBondContact SG-SG 3.35Å
230Q73.9Confident82.6Confident132 Ų13273.6 Ų73.662%0.61738%0.38SS*.  trans-115.7135.7171.1-66.5-177.9-1000109.2R232Q230-R232 PolarHBondContact O-N 3.05Å
231A73Confident82.8Confident57 Ų5778.9 Ų78.947%0.47140%0.398SS..  trans-59.6121.5172.200000109.7D143 V145D143-A231 WeakPolarHBondContact O-CB 3.24Å; V145-A231 HydrophobicContact CG1-CB 4.23Å
232R72.1Confident82.9Confident157 Ų15784.2 Ų84.259%0.59242%0.417SS*.  trans-108.5104.6178.1-64.9177.6-172.6127.2-3.5108.6Q230 S234Q230-R232 PolarHBondContact O-N 3.05Å; R232-S234 PolarHBondContact O-N 3.07Å
233H73.6Confident83.1Confident182 Ų18284.1 Ų84.184%0.84342%0.416SS*.  trans-69.6105.2174.6-157.1-72.9000109.2
234S77.9Confident83.4Confident24 Ų2490 Ų9017%0.16844%0.438CS..  trans-111.4150-176.160.40000112D143 R232 K239D143-S234 PolarHBondContact OD2-OG 3.44Å; R232-S234 PolarHBondContact O-N 3.07Å; S234-K239 WeakPolarHBondContact O-CE 3.44Å; S234-K239 WeakPolarHBondContact OG-CG 3.48Å
235D89.5Confident83.7Confident119 Ų11993.2 Ų93.264%0.63645%0.452SS*.  trans-70.5153.8173.7-63.8-45.8000111.5P237 T238 K239D235-P237 VanDerWaalsContact C-CD 3.48Å; D235-T238 WeakPolarHBondContact O-CA 3.19Å; D235-T238 WeakPolarHBondContact O-CB 3.3Å; D235-T238 PolarHBondContact O-N 2.95Å; D235-K239 PolarHBondContact O-N 2.94Å
236W90.7Very high84.4Confident165 Ų16587.8 Ų87.863%0.62542%0.418SS*.Hα-helixtrans-51.7-42.3-179.8-80.7105.2000115.2I140 T238 K239 L240I140-W236 HydrophobicContact CD1-CH2 4.5Å; W236-T238 VanDerWaalsContact C-N 3.31Å; W236-T238 PolarHBondContact O-N 3.39Å; W236-K239 HydrophobicContact CE3-CD 4.35Å; W236-K239 PolarHBondContact O-N 2.85Å; W236-L240 WeakPolarHBondContact O-CG 3.01Å; W236-L240 PolarHBondContact O-N 3.1Å
237P93.1Very high85Confident98 Ų9888.7 Ų88.764%0.63642%0.419SS*.Hα-helixtrans-61.5-39.4175.4-23.835.4000112.8D235 L240 Y241D235-P237 VanDerWaalsContact C-CD 3.48Å; P237-L240 PolarHBondContact O-N 3.06Å; P237-Y241 PolarHBondContact O-N 2.92Å
238T91.1Very high85.7Confident63 Ų6397.1 Ų97.139%0.38745%0.452SS..Hα-helixtrans-66.7-40.3176.3-540000110.8D235 W236 L240 Y241 R242D235-T238 WeakPolarHBondContact O-CA 3.19Å; D235-T238 WeakPolarHBondContact O-CB 3.3Å; D235-T238 PolarHBondContact O-N 2.95Å; W236-T238 VanDerWaalsContact C-N 3.31Å; W236-T238 PolarHBondContact O-N 3.39Å; T238-L240 PolarHBondContact O-N 3.49Å; T238-Y241 PolarHBondContact O-N 3.07Å; T238-R242 VanDerWaalsContact O-CG 3.32Å; T238-R242 WeakPolarHBondContact O-CG 3.35Å; T238-R242 PolarHBondContact O-N 3.2Å
239K91.5Very high86.4Confident25 Ų2590.3 Ų90.311%0.10942%0.416CS..Hα-helixtrans-59.5-45.2174.4-64.6-174-163.2-143.70112.1V139 D143 S234 D235 W236 R242 A243V139-K239 HydrophobicContact CG1-CB 3.92Å; V139-K239 HydrophobicContact CG1-CG 3.98Å; D143-K239 WeakPolarHBondContact OD2-CE 3.36Å; D143-K239 IonicContact OD2-NZ 3.08Å; D143-K239 PolarHBondContact OD2-NZ 3.19Å; S234-K239 WeakPolarHBondContact O-CE 3.44Å; S234-K239 WeakPolarHBondContact OG-CG 3.48Å; D235-K239 PolarHBondContact O-N 2.94Å; W236-K239 HydrophobicContact CE3-CD 4.35Å; W236-K239 PolarHBondContact O-N 2.85Å; K239-R242 PolarHBondContact O-N 3.04Å; K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.37Å; K239-A243 PolarHBondContact O-N 3.38Å
240L93.2Very high86.8Confident100 Ų10096.3 Ų96.352%0.52445%0.447SS..Hα-helixtrans-64.2-41.9177.9-70.7174000111.9L136 W236 P237 T238 R242 A243 Y244L136-L240 HydrophobicContact CD1-CD2 4.23Å; W236-L240 WeakPolarHBondContact O-CG 3.01Å; W236-L240 PolarHBondContact O-N 3.1Å; P237-L240 PolarHBondContact O-N 3.06Å; T238-L240 PolarHBondContact O-N 3.49Å; L240-R242 PolarHBondContact O-N 3.01Å; L240-A243 PolarHBondContact O-N 3.5Å; L240-Y244 WeakPolarHBondContact O-CB 3.36Å; L240-Y244 PolarHBondContact O-N 2.92Å
241Y92.3Very high87.2Confident150 Ų15091 Ų9159%0.58843%0.428SS*.Hα-helixtrans-60.7-44.4175.7179.5-99.8000112P237 T238 Y244 E245P237-Y241 PolarHBondContact O-N 2.92Å; T238-Y241 PolarHBondContact O-N 3.07Å; Y241-Y244 WeakPolarHBondContact O-CB 3.46Å; Y241-Y244 PolarHBondContact O-N 3.47Å; Y241-E245 PolarHBondContact O-N 3.3Å
242R89.6Confident87.8Confident123 Ų12389.5 Ų89.546%0.46441%0.412SS..Hα-helixtrans-67.7-40.2176.4-65.6-60.1-174.4177.32.6112.7V139 T238 K239 L240 Y244 E245 I246V139-R242 HydrophobicContact CG1-CB 4.49Å; V139-R242 HydrophobicContact CG2-CB 3.99Å; T238-R242 VanDerWaalsContact O-CG 3.32Å; T238-R242 WeakPolarHBondContact O-CG 3.35Å; T238-R242 PolarHBondContact O-N 3.2Å; K239-R242 PolarHBondContact O-N 3.04Å; L240-R242 PolarHBondContact O-N 3.01Å; R242-Y244 PolarHBondContact O-N 3.44Å; R242-E245 VanDerWaalsContact CD-OE2 3.27Å; R242-E245 WeakPolarHBondContact CD-OE2 3.18Å; R242-E245 IonicContact CZ-OE2 2.76Å; R242-E245 IonicContact NE-OE2 3.71Å; R242-E245 IonicContact NH1-OE1 2.66Å; R242-E245 IonicContact NH1-OE2 3.91Å; R242-E245 PolarHBondContact NH1-OE2 2.87Å; R242-E245 WeakPolarHBondContact O-CB 3.46Å; R242-E245 PolarHBondContact O-N 2.9Å; R242-I246 VanDerWaalsContact O-CG1 3.29Å; R242-I246 WeakPolarHBondContact O-CG1 3.33Å; R242-I246 PolarHBondContact O-N 2.84Å
243A92.3Very high88.3Confident3 Ų383.6 Ų83.63%0.02540%0.395CS..Hα-helixtrans-61.4-36.4175.300000111.1S135 L136 V139 K239 L240 W247S135-A243 VanDerWaalsContact CB-O 3.26Å; S135-A243 WeakPolarHBondContact CB-O 3.27Å; S135-A243 PolarHBondContact OG-O 3.46Å; L136-A243 HydrophobicContact CB-CB 4.29Å; L136-A243 HydrophobicContact CD1-CB 4.19Å; V139-A243 HydrophobicContact CG2-CB 4.12Å; K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.37Å; K239-A243 PolarHBondContact O-N 3.38Å; L240-A243 PolarHBondContact O-N 3.5Å; A243-W247 VanDerWaalsContact O-CB 3.23Å; A243-W247 WeakPolarHBondContact O-CB 3.27Å; A243-W247 PolarHBondContact O-N 2.87Å
244Y92.4Very high88.4Confident131 Ų13179.1 Ų79.151%0.51438%0.377SS..Hα-helixtrans-69.1-42.3173.5178.9-99.8000112.7L240 Y241 R242 I246 W247 Y248L240-Y244 WeakPolarHBondContact O-CB 3.36Å; L240-Y244 PolarHBondContact O-N 2.92Å; Y241-Y244 WeakPolarHBondContact O-CB 3.46Å; Y241-Y244 PolarHBondContact O-N 3.47Å; R242-Y244 PolarHBondContact O-N 3.44Å; Y244-I246 VanDerWaalsContact C-N 3.35Å; Y244-I246 PolarHBondContact O-N 3.19Å; Y244-W247 HydrophobicContact CD2-CE3 4.14Å; Y244-W247 HydrophobicContact CE2-CE3 4Å; Y244-W247 HydrophobicContact CE2-CZ3 4.08Å; Y244-W247 PolarHBondContact O-N 3.45Å; Y244-Y248 WeakPolarHBondContact O-CB 3.28Å; Y244-Y248 PolarHBondContact O-N 2.88Å
245E91.3Very high88.6Confident76 Ų7684.5 Ų84.536%0.35540%0.397SS..Hα-helixtrans-58.1-46.3174.5-174179.1-170.500111.3Y241 R242 Y248 G249Y241-E245 PolarHBondContact O-N 3.3Å; R242-E245 VanDerWaalsContact CD-OE2 3.27Å; R242-E245 WeakPolarHBondContact CD-OE2 3.18Å; R242-E245 IonicContact CZ-OE2 2.76Å; R242-E245 IonicContact NE-OE2 3.71Å; R242-E245 IonicContact NH1-OE1 2.66Å; R242-E245 IonicContact NH1-OE2 3.91Å; R242-E245 PolarHBondContact NH1-OE2 2.87Å; R242-E245 WeakPolarHBondContact O-CB 3.46Å; R242-E245 PolarHBondContact O-N 2.9Å; E245-Y248 PolarHBondContact O-N 2.91Å; E245-G249 PolarHBondContact O-N 3.35Å
246I90.8Very high88Confident15 Ų1585.8 Ų85.88%0.07740%0.404CS..Hα-helixtrans-64.4-41.7175.7-63.9160.6000111.4M138 V139 R242 Y244 G249 L250 G251 V257M138-I246 HydrophobicContact CE-CG2 3.38Å; V139-I246 HydrophobicContact CG2-CD1 3.47Å; V139-I246 VanDerWaalsContact CG2-CD1 3.47Å; R242-I246 VanDerWaalsContact O-CG1 3.29Å; R242-I246 WeakPolarHBondContact O-CG1 3.33Å; R242-I246 PolarHBondContact O-N 2.84Å; Y244-I246 VanDerWaalsContact C-N 3.35Å; Y244-I246 PolarHBondContact O-N 3.19Å; I246-G249 CarbonylContact O-C 3.48Å; I246-G249 PolarHBondContact O-N 3.46Å; I246-L250 PolarHBondContact O-N 2.91Å; I246-G251 PolarHBondContact O-N 2.88Å; I246-V257 HydrophobicContact CB-CG1 4.06Å; I246-V257 HydrophobicContact CG1-CG1 3.51Å; I246-V257 HydrophobicContact CG2-CG1 4.07Å
247W91.7Very high87.5Confident88 Ų8878.6 Ų78.633%0.33338%0.379SS..Hα-helixtrans-63.7-45179.1-178.182.9000112L132 A243 Y244 L250L132-W247 HydrophobicContact CD1-CG 4.25Å; A243-W247 VanDerWaalsContact O-CB 3.23Å; A243-W247 WeakPolarHBondContact O-CB 3.27Å; A243-W247 PolarHBondContact O-N 2.87Å; Y244-W247 HydrophobicContact CD2-CE3 4.14Å; Y244-W247 HydrophobicContact CE2-CE3 4Å; Y244-W247 HydrophobicContact CE2-CZ3 4.08Å; Y244-W247 PolarHBondContact O-N 3.45Å; W247-L250 PolarHBondContact O-N 3.14Å
248Y90Very high86.8Confident180 Ų18080.7 Ų80.771%0.70637%0.374SS*.Hα-helixtrans-67-37.7177-177.4-99.7000112.1Y244 E245 L250Y244-Y248 WeakPolarHBondContact O-CB 3.28Å; Y244-Y248 PolarHBondContact O-N 2.88Å; E245-Y248 PolarHBondContact O-N 2.91Å; Y248-L250 PolarHBondContact O-N 3.45Å
249G86.9Confident86.3Confident4 Ų478.9 Ų78.94%0.04136%0.364CS..THydrogen-bonded Turntrans-78.51.7174.200000114.9E245 I246 G251 L252E245-G249 PolarHBondContact O-N 3.35Å; I246-G249 CarbonylContact O-C 3.48Å; I246-G249 PolarHBondContact O-N 3.46Å; G249-G251 PolarHBondContact O-N 2.85Å; G249-L252 PolarHBondContact O-N 3.27Å; G249-L252 VanDerWaalsContact O-N 3.09Å
250L86.4Confident85.9Confident130 Ų13078 Ų7868%0.68136%0.36SS*.THydrogen-bonded Turntrans52.320.5-174.1-59.1177.1000114.6I246 W247 Y248 L252I246-L250 PolarHBondContact O-N 2.91Å; W247-L250 PolarHBondContact O-N 3.14Å; Y248-L250 PolarHBondContact O-N 3.45Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 2.98Å
251G81.8Confident85.3Confident21 Ų2173.3 Ų73.322%0.21634%0.336CS..THydrogen-bonded Turntrans72.114.6-176.500000116.2I246 G249I246-G251 PolarHBondContact O-N 2.88Å; G249-G251 PolarHBondContact O-N 2.85Å
252L85.9Confident84.9Confident25 Ų2566.9 Ų66.913%0.13131%0.312CS..  trans-80.5133.4179.6-62.7169.5000112.1E173 G249 L250 L254 F255 V257E173-L252 HydrophobicContact CB-CD2 4.36Å; E173-L252 HydrophobicContact CG-CD2 4.17Å; E173-L252 WeakPolarHBondContact OE1-CA 3.48Å; G249-L252 PolarHBondContact O-N 3.27Å; G249-L252 VanDerWaalsContact O-N 3.09Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 2.98Å; L252-L254 HydrophobicContact CB-CB 4.49Å; L252-L254 PolarHBondContact O-N 2.9Å; L252-F255 HydrophobicContact CB-CD2 3.97Å; L252-F255 HydrophobicContact CD1-CD2 3.9Å; L252-F255 HydrophobicContact CD1-CE2 3.78Å; L252-F255 HydrophobicContact CG-CD2 4.49Å; L252-F255 PolarHBondContact O-N 3.27Å; L252-F255 VanDerWaalsContact O-N 3.1Å; L252-V257 PolarHBondContact O-N 3.13Å
253S81.5Confident84.6Confident34 Ų3461.4 Ų61.424%0.23829%0.291CS..G310 helixtrans-63.9-27.7171.166.70000112.3F169 E173 F255 N256F169-S253 VanDerWaalsContact CD1-OG 3.24Å; F169-S253 WeakPolarHBondContact CD1-OG 3.1Å; F169-S253 VanDerWaalsContact CE1-OG 3.29Å; F169-S253 WeakPolarHBondContact CE1-OG 3.5Å; E173-S253 VanDerWaalsContact CD-N 3.33Å; E173-S253 PolarHBondContact OE1-N 3Å; E173-S253 PolarHBondContact OE1-OG 3.49Å; E173-S253 VanDerWaalsContact OE1-OG 3.09Å; E173-S253 PolarHBondContact OE2-N 3.34Å; E173-S253 PolarHBondContact OE2-OG 3.23Å; S253-F255 PolarHBondContact O-N 3.38Å; S253-N256 WeakPolarHBondContact O-CA 3.35Å; S253-N256 PolarHBondContact O-N 3.13Å
254L77.7Confident84Confident87 Ų8764.1 Ų64.146%0.45530%0.304SS..G310 helixtrans-57.3-28.6171.8-76.3168.3000113E173 I174 L252 N256E173-L254 HydrophobicContact CB-CD1 3.66Å; E173-L254 HydrophobicContact CB-CG 4.21Å; E173-L254 WeakPolarHBondContact OE2-CB 3.49Å; E173-L254 WeakPolarHBondContact OE2-CD1 3.41Å; E173-L254 WeakPolarHBondContact OE2-CG 3.29Å; E173-L254 PolarHBondContact OE2-N 2.74Å; I174-L254 HydrophobicContact CG1-CD1 4.5Å; L252-L254 HydrophobicContact CB-CB 4.49Å; L252-L254 PolarHBondContact O-N 2.9Å; L254-N256 VanDerWaalsContact C-N 3.28Å
255F80.9Confident83.5Confident138 Ų13857.9 Ų57.961%0.60528%0.28SS*.G310 helixtrans-93.522.3173.1-67.4-59.5000113L252 S253 V257L252-F255 HydrophobicContact CB-CD2 3.97Å; L252-F255 HydrophobicContact CD1-CD2 3.9Å; L252-F255 HydrophobicContact CD1-CE2 3.78Å; L252-F255 HydrophobicContact CG-CD2 4.49Å; L252-F255 PolarHBondContact O-N 3.27Å; L252-F255 VanDerWaalsContact O-N 3.1Å; S253-F255 PolarHBondContact O-N 3.38Å; F255-V257 PolarHBondContact O-N 2.75Å
256N77Confident83.5Confident146 Ų14654.3 Ų54.378%0.78126%0.263SS*.THydrogen-bonded Turntrans59.823.6-180-162.546.6000113.7S253 L254S253-N256 WeakPolarHBondContact O-CA 3.35Å; S253-N256 PolarHBondContact O-N 3.13Å; L254-N256 VanDerWaalsContact C-N 3.28Å
257V80.9Confident83.6Confident14 Ų1453.8 Ų53.89%0.08526%0.262CS..  trans-91.9106.6174.3179.20000108.3I246 L252 F255I246-V257 HydrophobicContact CB-CG1 4.06Å; I246-V257 HydrophobicContact CG1-CG1 3.51Å; I246-V257 HydrophobicContact CG2-CG1 4.07Å; L252-V257 PolarHBondContact O-N 3.13Å; F255-V257 PolarHBondContact O-N 2.75Å
258R78.4Confident83.7Confident142 Ų14251 Ų5154%0.53625%0.253SS..  trans-114.8109.7173.1-163.8169.7-171.314511.4109.8E310R258-E310 IonicContact CZ-OE1 2.73Å; R258-E310 IonicContact CZ-OE2 2.88Å; R258-E310 IonicContact NH2-OE1 2.79Å; R258-E310 PolarHBondContact NH2-OE1 3.15Å; R258-E310 IonicContact NH2-OE2 3.92Å; R258-E310 PolarHBondContact NH2-OE2 2.98Å
259S80.6Confident84Confident25 Ų2542.4 Ų42.418%0.17522%0.219CC..  trans-102.5159.6170.6-155.90000110
260C82Confident84.4Confident5 Ų542.2 Ų42.23%0.03422%0.217CC..  trans-135.6153.9175.6-450000108.9H142 C229H142-C260 VanDerWaalsContact CA-O 3.25Å; H142-C260 WeakPolarHBondContact CA-O 3.25Å; H142-C260 WeakPolarHBondContact CB-O 3.43Å; H142-C260 WeakPolarHBondContact ND1-CB 3.35Å; H142-C260 PolarHBondContact ND1-N 2.88Å; C229-C260 HydrophobicContact CB-CB 3.65Å; C229-C260 WeakPolarHBondContact CB-SG 3.46Å; C229-C260 WeakPolarHBondContact SG-CB 3.49Å; C229-C260 CovalentContact SG-SG 2.03Å; C229-C260 PolarHBondContact SG-SG 3.35Å
261G80.3Confident84.9Confident2 Ų238 Ų382%0.02120%0.197CC..SBendtrans94.7-2.8174.800000114.3V141 Y263V141-G261 VanDerWaalsContact CG1-O 3.28Å; V141-G261 WeakPolarHBondContact CG1-O 3.09Å; G261-Y263 VanDerWaalsContact C-N 3.27Å; G261-Y263 PolarHBondContact O-N 3.41Å
262D84.4Confident85.6Confident16 Ų1637 Ų379%0.08619%0.186CC..  trans-90.142.9179.764.2-50.9000113.6M138 R211 I215 M264M138-D262 HydrophobicContact CG-CB 4.19Å; R211-D262 IonicContact CZ-OD2 2.71Å; R211-D262 PolarHBondContact NH2-O 2.92Å; R211-D262 VanDerWaalsContact NH2-O 3.15Å; R211-D262 IonicContact NH2-OD2 3.71Å; R211-D262 PolarHBondContact NH2-OD2 3.48Å; I215-D262 HydrophobicContact CD1-CB 3.69Å; D262-M264 PolarHBondContact O-N 3.47Å
263Y83.5Confident86.2Confident7 Ų735.9 Ų35.93%0.02718%0.18CC..  trans-89.620.7-171.7-49.8-60000115.2L220 V222 P223 G261 E310 D315L220-Y263 HydrophobicContact CB-CD2 4.35Å; V222-Y263 HydrophobicContact CB-CE2 4.45Å; V222-Y263 HydrophobicContact CG2-CE2 4.23Å; P223-Y263 HydrophobicContact CG-CD1 4.23Å; P223-Y263 HydrophobicContact CG-CE1 3.93Å; G261-Y263 VanDerWaalsContact C-N 3.27Å; G261-Y263 PolarHBondContact O-N 3.41Å; Y263-E310 WeakPolarHBondContact CD1-O 3.35Å; Y263-E310 WeakPolarHBondContact CE1-O 3.28Å; Y263-D315 VanDerWaalsContact CA-OD2 3.24Å; Y263-D315 WeakPolarHBondContact CA-OD2 3.36Å; Y263-D315 VanDerWaalsContact O-CB 3.28Å; Y263-D315 WeakPolarHBondContact O-CB 3.36Å; Y263-D315 VanDerWaalsContact O-OD2 3.1Å
264M79.9Confident87Confident60 Ų6034.3 Ų34.330%0.29617%0.169SC..SBendtrans-159.4104.1171.2-168171.8-178.700112.5T214 I215 D262T214-M264 WeakPolarHBondContact CB-O 3.42Å; T214-M264 PolarHBondContact OG1-O 3Å; I215-M264 WeakPolarHBondContact CG1-O 3.32Å; I215-M264 PolarHBondContact N-O 2.97Å; D262-M264 PolarHBondContact O-N 3.47Å
265F82Confident87.9Confident1 Ų131.5 Ų31.50%0.00415%0.153CC..SBendcis-105.7161-1.456.2-96.8000112.5V207 L210 R211 G267 T270 D315 V318 A319 I322V207-F265 HydrophobicContact CG1-CE2 3.35Å; V207-F265 HydrophobicContact CG1-CZ 3.42Å; V207-F265 VanDerWaalsContact CG1-CZ 3.42Å; V207-F265 WeakPolarHBondContact O-CZ 3.19Å; L210-F265 HydrophobicContact CB-CE1 4.09Å; L210-F265 HydrophobicContact CB-CZ 4.29Å; L210-F265 HydrophobicContact CD2-CE1 4.14Å; L210-F265 HydrophobicContact CG-CE1 3.95Å; R211-F265 VanDerWaalsContact CA-CE1 3.42Å; R211-F265 HydrophobicContact CB-CD1 4.34Å; R211-F265 HydrophobicContact CB-CD2 4.38Å; R211-F265 HydrophobicContact CB-CE1 3.78Å; R211-F265 HydrophobicContact CB-CE2 3.79Å; R211-F265 HydrophobicContact CB-CZ 3.51Å; R211-F265 VanDerWaalsContact CD-O 3.32Å; R211-F265 WeakPolarHBondContact CD-O 3.43Å; R211-F265 HydrophobicContact CG-CD1 4.43Å; R211-F265 HydrophobicContact CG-CD2 4.18Å; R211-F265 HydrophobicContact CG-CE1 4.33Å; R211-F265 HydrophobicContact CG-CE2 4.06Å; R211-F265 HydrophobicContact CG-CG 4.39Å; R211-F265 HydrophobicContact CG-CZ 4.18Å; R211-F265 WeakPolarHBondContact CG-O 3.31Å; R211-F265 VanDerWaalsContact N-CE1 3.32Å; R211-F265 PolarHBondContact NE-O 2.87Å; F265-G267 PolarHBondContact O-N 2.88Å; F265-T270 WeakPolarHBondContact CD2-OG1 3.45Å; F265-T270 WeakPolarHBondContact CE2-OG1 3.48Å; F265-D315 WeakPolarHBondContact CA-OD1 3.4Å; F265-V318 HydrophobicContact CB-CG1 4.31Å; F265-A319 HydrophobicContact CB-CB 3.98Å; F265-A319 HydrophobicContact CD2-CB 4.02Å; F265-A319 HydrophobicContact CG-CB 4.43Å; F265-I322 HydrophobicContact CD1-CD1 4.28Å; F265-I322 HydrophobicContact CE1-CD1 4.44Å
266S91Very high88.7Confident0 Ų024.9 Ų24.90%012%0.124CC..  trans-64.4120-170.71750000112.5T269 T270 D315 A319S266-T269 WeakPolarHBondContact CB-OG1 3.42Å; S266-T269 PolarHBondContact OG-N 2.94Å; S266-T269 PolarHBondContact OG-OG1 2.67Å; S266-T270 WeakPolarHBondContact O-CB 3.31Å; S266-T270 PolarHBondContact O-N 2.87Å; S266-T270 VanDerWaalsContact O-N 3.08Å; S266-T270 PolarHBondContact O-OG1 3.13Å; S266-D315 PolarHBondContact N-OD1 3.03Å; S266-A319 WeakPolarHBondContact O-CB 3.3Å
267G92.6Very high89.7Confident5 Ų518.8 Ų18.85%0.0529%0.091CC..Hα-helixtrans-66.3-43.7177.200000112.5R211 F265 T269 T270 V271R211-G267 VanDerWaalsContact NH1-CA 3.31Å; F265-G267 PolarHBondContact O-N 2.88Å; G267-T269 PolarHBondContact O-N 3.38Å; G267-T270 WeakPolarHBondContact O-CB 3.07Å; G267-T270 PolarHBondContact O-N 3.46Å; G267-V271 WeakPolarHBondContact O-CG2 3.42Å; G267-V271 PolarHBondContact O-N 3.32Å
268H94Very high90.6Very high29 Ų2918.1 Ų18.113%0.1349%0.087CC..Hα-helixtrans-58.4-49.9177.4-66.694.8000111.3F169 E173 T270 V271 V272 I305 H311F169-H268 AromaticContact CZ-CE1 3.51Å; F169-H268 AromaticContact CZ-ND1 3.76Å; F169-H268 AromaticContact CZ-NE2 3.98Å; E173-H268 IonicContact OE1-NE2 2.73Å; E173-H268 PolarHBondContact OE1-NE2 3.48Å; H268-T270 VanDerWaalsContact C-N 3.3Å; H268-T270 PolarHBondContact O-N 3.46Å; H268-V271 PolarHBondContact O-N 3.3Å; H268-V271 VanDerWaalsContact O-N 3.17Å; H268-V272 WeakPolarHBondContact O-CG2 3.1Å; H268-V272 PolarHBondContact O-N 3.26Å; H268-I305 HydrophobicContact CB-CD1 3.66Å; H268-I305 HydrophobicContact CB-CG1 4.32Å; H268-H311 AromaticContact ND1-NE2 3.97Å
269T96.2Very high91.5Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-58.2-43.3176.8-57.30000111.8S266 G267 V271 V272 T273 I302 I305 V316 A319 F320S266-T269 WeakPolarHBondContact CB-OG1 3.42Å; S266-T269 PolarHBondContact OG-N 2.94Å; S266-T269 PolarHBondContact OG-OG1 2.67Å; G267-T269 PolarHBondContact O-N 3.38Å; T269-V271 PolarHBondContact O-N 3.41Å; T269-V272 WeakPolarHBondContact O-CG2 3.41Å; T269-T273 WeakPolarHBondContact O-CB 3.28Å; T269-T273 PolarHBondContact O-N 2.94Å; T269-T273 PolarHBondContact O-OG1 3.27Å; T269-I302 HydrophobicContact CG2-CD1 4.29Å; T269-I302 HydrophobicContact CG2-CG1 4.04Å; T269-I305 WeakPolarHBondContact OG1-CD1 3.3Å; T269-V316 HydrophobicContact CG2-CG1 4.09Å; T269-A319 HydrophobicContact CG2-CB 3.8Å; T269-F320 HydrophobicContact CG2-CB 4.07Å
270T96.1Very high92.2Very high0 Ų011.9 Ų11.90%06%0.064CC..Hα-helixtrans-58.3-48.3176.7-64.20000111.3V207 F208 F265 S266 G267 H268 M274 S323V207-T270 HydrophobicContact CB-CG2 4.19Å; V207-T270 HydrophobicContact CG1-CG2 3.44Å; V207-T270 VanDerWaalsContact CG1-CG2 3.44Å; F208-T270 HydrophobicContact CE2-CG2 4.32Å; F265-T270 WeakPolarHBondContact CD2-OG1 3.45Å; F265-T270 WeakPolarHBondContact CE2-OG1 3.48Å; S266-T270 WeakPolarHBondContact O-CB 3.31Å; S266-T270 PolarHBondContact O-N 2.87Å; S266-T270 VanDerWaalsContact O-N 3.08Å; S266-T270 PolarHBondContact O-OG1 3.13Å; G267-T270 WeakPolarHBondContact O-CB 3.07Å; G267-T270 PolarHBondContact O-N 3.46Å; H268-T270 VanDerWaalsContact C-N 3.3Å; H268-T270 PolarHBondContact O-N 3.46Å; T270-M274 HydrophobicContact CG2-CG 4.37Å; T270-M274 VanDerWaalsContact O-CB 3.26Å; T270-M274 WeakPolarHBondContact O-CB 3.19Å; T270-M274 WeakPolarHBondContact O-CG 3.49Å; T270-M274 PolarHBondContact O-N 3.39Å; T270-S323 PolarHBondContact OG1-OG 3.01Å
271V96Very high92.8Very high42 Ų4212.9 Ų12.926%0.2557%0.068SC..Hα-helixtrans-65.5-48.7-176.9171.10000111.5F208 G267 H268 T269 T273 M274 F275F208-V271 HydrophobicContact CE2-CG2 3.99Å; F208-V271 HydrophobicContact CZ-CG2 3.7Å; G267-V271 WeakPolarHBondContact O-CG2 3.42Å; G267-V271 PolarHBondContact O-N 3.32Å; H268-V271 PolarHBondContact O-N 3.3Å; H268-V271 VanDerWaalsContact O-N 3.17Å; T269-V271 PolarHBondContact O-N 3.41Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 3.42Å; V271-M274 PolarHBondContact O-N 3.02Å; V271-F275 HydrophobicContact CG1-CD2 3.66Å; V271-F275 HydrophobicContact CG1-CE2 3.25Å; V271-F275 HydrophobicContact CG1-CZ 4.05Å; V271-F275 VanDerWaalsContact O-CD2 3.31Å; V271-F275 WeakPolarHBondContact O-CD2 3.2Å; V271-F275 PolarHBondContact O-N 3.42Å
272V97.3Very high93.6Very high0 Ų012.8 Ų12.80%07%0.067CC..Hα-helixtrans-64.8-39.7179.5-62.30000112A176 L179 H268 T269 F275 N276 N298 A301A176-V272 HydrophobicContact CB-CG1 3.57Å; L179-V272 HydrophobicContact CD1-CB 4.28Å; H268-V272 WeakPolarHBondContact O-CG2 3.1Å; H268-V272 PolarHBondContact O-N 3.26Å; T269-V272 WeakPolarHBondContact O-CG2 3.41Å; V272-F275 PolarHBondContact O-N 2.76Å; V272-N276 WeakPolarHBondContact O-CB 3.39Å; V272-N276 PolarHBondContact O-N 3.05Å; V272-N298 WeakPolarHBondContact CG2-OD1 3.31Å; V272-A301 HydrophobicContact CB-CB 4.24Å; V272-A301 HydrophobicContact CG1-CB 3.98Å; V272-A301 HydrophobicContact CG2-CB 4.07Å
273T97.8Very high94.1Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-67.2-42.6178-60.30000110.9T269 V271 N276 H277 N298 F320 S324T269-T273 WeakPolarHBondContact O-CB 3.28Å; T269-T273 PolarHBondContact O-N 2.94Å; T269-T273 PolarHBondContact O-OG1 3.27Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 3.42Å; T273-N276 PolarHBondContact O-N 3.49Å; T273-H277 PolarHBondContact O-CD2 2.93Å; T273-H277 PolarHBondContact O-N 3.34Å; T273-N298 WeakPolarHBondContact CA-OD1 3.33Å; T273-N298 PolarHBondContact N-OD1 2.92Å; T273-N298 PolarHBondContact OG1-OD1 3.33Å; T273-F320 HydrophobicContact CG2-CD2 3.8Å; T273-F320 HydrophobicContact CG2-CE2 4.1Å; T273-S324 WeakPolarHBondContact CG2-OG 3.33Å
274M97.5Very high94.6Very high1 Ų112.9 Ų12.91%0.0057%0.069CC..Hα-helixtrans-62-50.5175.3-78.1-64.9179.800111V204 V207 T270 V271 N276 H277 F278 S323 F327V204-M274 HydrophobicContact CG2-CB 4.28Å; V204-M274 HydrophobicContact CG2-CG 4.19Å; V207-M274 HydrophobicContact CB-CE 4.42Å; V207-M274 HydrophobicContact CG2-CE 3.43Å; V207-M274 VanDerWaalsContact CG2-CE 3.43Å; T270-M274 HydrophobicContact CG2-CG 4.37Å; T270-M274 VanDerWaalsContact O-CB 3.26Å; T270-M274 WeakPolarHBondContact O-CB 3.19Å; T270-M274 WeakPolarHBondContact O-CG 3.49Å; T270-M274 PolarHBondContact O-N 3.39Å; V271-M274 PolarHBondContact O-N 3.02Å; M274-N276 VanDerWaalsContact C-N 3.31Å; M274-N276 PolarHBondContact O-N 2.98Å; M274-H277 PolarHBondContact O-N 2.95Å; M274-F278 HydrophobicContact CB-CD2 4.3Å; M274-F278 HydrophobicContact CB-CE2 4.46Å; M274-F278 WeakPolarHBondContact O-CB 3.33Å; M274-F278 WeakPolarHBondContact O-CD2 3.33Å; M274-F278 PolarHBondContact O-N 3.22Å; M274-F278 HydrophobicContact SD-CD2 4.5Å; M274-F278 HydrophobicContact SD-CE2 3.98Å; M274-S323 WeakPolarHBondContact CE-O 3.34Å; M274-F327 HydrophobicContact SD-CB 4.46Å; M274-F327 HydrophobicContact SD-CD2 4.21Å
275F98.2Very high95.2Very high28 Ų2814.8 Ų14.812%0.1238%0.08CC..Hα-helixtrans-57.2-44.9177.6-72.9-43.9000112.1L179 W183 F200 V271 V272 H277 F278 I279L179-F275 HydrophobicContact CB-CB 3.93Å; L179-F275 HydrophobicContact CB-CD2 4.25Å; L179-F275 HydrophobicContact CB-CG 4.41Å; W183-F275 HydrophobicContact CB-CD1 3.77Å; W183-F275 HydrophobicContact CB-CE1 4.21Å; W183-F275 AromaticContact CD1-CD1 3.72Å; W183-F275 AromaticContact CD1-CE1 3.53Å; W183-F275 AromaticContact CG-CD1 3.82Å; W183-F275 HydrophobicContact CG-CD1 3.82Å; W183-F275 HydrophobicContact CG-CE1 4.08Å; F200-F275 HydrophobicContact CE2-CD1 4.05Å; F200-F275 AromaticContact CE2-CE1 3.72Å; F200-F275 HydrophobicContact CE2-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CD1 4.49Å; F200-F275 AromaticContact CZ-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CE1 3.72Å; F200-F275 HydrophobicContact CZ-CZ 4.41Å; V271-F275 HydrophobicContact CG1-CD2 3.66Å; V271-F275 HydrophobicContact CG1-CE2 3.25Å; V271-F275 HydrophobicContact CG1-CZ 4.05Å; V271-F275 VanDerWaalsContact O-CD2 3.31Å; V271-F275 WeakPolarHBondContact O-CD2 3.2Å; V271-F275 PolarHBondContact O-N 3.42Å; V272-F275 PolarHBondContact O-N 2.76Å; F275-H277 PolarHBondContact O-N 3.32Å; F275-F278 PolarHBondContact O-N 3.46Å; F275-I279 HydrophobicContact CB-CD1 4.46Å; F275-I279 WeakPolarHBondContact O-CB 3.4Å; F275-I279 WeakPolarHBondContact O-CD1 3.45Å; F275-I279 WeakPolarHBondContact O-CG1 3.16Å; F275-I279 PolarHBondContact O-N 3.08Å
276N98Very high95.7Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-57.9-47.8177175.438.7000112.6V272 T273 M274 I279 T280 S294 W295 N298V272-N276 WeakPolarHBondContact O-CB 3.39Å; V272-N276 PolarHBondContact O-N 3.05Å; T273-N276 PolarHBondContact O-N 3.49Å; M274-N276 VanDerWaalsContact C-N 3.31Å; M274-N276 PolarHBondContact O-N 2.98Å; N276-I279 PolarHBondContact O-N 3.48Å; N276-T280 WeakPolarHBondContact O-CB 3.16Å; N276-T280 PolarHBondContact O-N 3.48Å; N276-T280 PolarHBondContact O-OG1 2.84Å; N276-S294 VanDerWaalsContact OD1-CB 3.27Å; N276-S294 WeakPolarHBondContact OD1-CB 3.37Å; N276-S294 PolarHBondContact OD1-O 3.46Å; N276-S294 PolarHBondContact OD1-OG 2.96Å; N276-W295 VanDerWaalsContact ND2-CE2 3.34Å; N276-W295 WeakPolarHBondContact ND2-CZ3 3.4Å; N276-W295 PolarHBondContact OD1-N 2.99Å; N276-N298 HydrophobicContact CB-CB 3.96Å; N276-N298 PolarHBondContact ND2-ND2 3.17Å
277H98Very high95.9Very high17 Ų1724.4 Ų24.48%0.07913%0.131CC..Hα-helixtrans-64.3-45.2177.8-78.4-55.8000112.5T273 M274 F275 T280 E281 W295 S324 F327T273-H277 PolarHBondContact O-CD2 2.93Å; T273-H277 PolarHBondContact O-N 3.34Å; M274-H277 PolarHBondContact O-N 2.95Å; F275-H277 PolarHBondContact O-N 3.32Å; H277-T280 PolarHBondContact O-N 3.45Å; H277-E281 VanDerWaalsContact O-CB 3.29Å; H277-E281 WeakPolarHBondContact O-CB 3.34Å; H277-E281 PolarHBondContact O-N 3.36Å; H277-W295 AromaticContact CE1-CH2 3.6Å; H277-W295 AromaticContact CE1-CZ2 3.77Å; H277-S324 WeakPolarHBondContact NE2-CB 3.48Å; H277-S324 PolarHBondContact NE2-OG 3.49Å; H277-F327 HydrophobicContact CB-CD1 3.78Å; H277-F327 HydrophobicContact CB-CD2 3.8Å; H277-F327 HydrophobicContact CB-CE1 3.77Å; H277-F327 HydrophobicContact CB-CE2 3.76Å; H277-F327 HydrophobicContact CB-CG 3.8Å; H277-F327 HydrophobicContact CB-CZ 3.76Å; H277-F327 WeakPolarHBondContact O-CZ 3.49Å
278F97.9Very high96Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-62.7-42.4177.1-85.8-73000112.3W183 R199 F200 L203 V204 M274 F275 Y282 F327W183-F278 HydrophobicContact CD2-CB 4.13Å; W183-F278 HydrophobicContact CE3-CB 3.8Å; W183-F278 HydrophobicContact CH2-CB 3.96Å; W183-F278 AromaticContact CH2-CD1 3.7Å; W183-F278 HydrophobicContact CH2-CD1 3.7Å; W183-F278 HydrophobicContact CH2-CG 4.13Å; W183-F278 HydrophobicContact CZ2-CB 4.28Å; W183-F278 AromaticContact CZ2-CD1 3.96Å; W183-F278 HydrophobicContact CZ2-CD1 3.96Å; W183-F278 HydrophobicContact CZ2-CG 4.23Å; W183-F278 HydrophobicContact CZ3-CB 3.72Å; W183-F278 HydrophobicContact CZ3-CD1 4.27Å; W183-F278 HydrophobicContact CZ3-CG 4.39Å; R199-F278 HydrophobicContact CB-CE1 4.43Å; F200-F278 VanDerWaalsContact CA-CZ 3.46Å; F200-F278 HydrophobicContact CB-CE1 4.11Å; F200-F278 HydrophobicContact CB-CZ 4.09Å; F200-F278 HydrophobicContact CD2-CD1 4.44Å; F200-F278 AromaticContact CD2-CD2 3.69Å; F200-F278 HydrophobicContact CD2-CD2 3.69Å; F200-F278 HydrophobicContact CD2-CE1 4.45Å; F200-F278 AromaticContact CD2-CE2 3.69Å; F200-F278 HydrophobicContact CD2-CE2 3.69Å; F200-F278 HydrophobicContact CD2-CG 4.13Å; F200-F278 HydrophobicContact CD2-CZ 4.11Å; F200-F278 HydrophobicContact CE2-CD2 4.24Å; F200-F278 HydrophobicContact CE2-CE2 4.43Å; L203-F278 HydrophobicContact CB-CZ 4.13Å; L203-F278 HydrophobicContact CD1-CE1 4.39Å; L203-F278 HydrophobicContact CD1-CE2 4.42Å; L203-F278 HydrophobicContact CD1-CZ 3.64Å; V204-F278 HydrophobicContact CG2-CE2 4.32Å; M274-F278 HydrophobicContact CB-CD2 4.3Å; M274-F278 HydrophobicContact CB-CE2 4.46Å; M274-F278 WeakPolarHBondContact O-CB 3.33Å; M274-F278 WeakPolarHBondContact O-CD2 3.33Å; M274-F278 PolarHBondContact O-N 3.22Å; M274-F278 HydrophobicContact SD-CD2 4.5Å; M274-F278 HydrophobicContact SD-CE2 3.98Å; F275-F278 PolarHBondContact O-N 3.46Å; F278-Y282 AromaticContact CD1-CD2 3.82Å; F278-Y282 HydrophobicContact CD1-CD2 3.82Å; F278-Y282 AromaticContact CD1-CE2 3.5Å; F278-Y282 HydrophobicContact CD1-CE2 3.5Å; F278-Y282 VanDerWaalsContact CD1-CE2 3.5Å; F278-Y282 AromaticContact CE1-CE2 3.86Å; F278-Y282 HydrophobicContact CE1-CE2 3.86Å; F278-Y282 WeakPolarHBondContact O-CD2 3.44Å; F278-Y282 PolarHBondContact O-N 3.17Å; F278-Y282 VanDerWaalsContact O-N 3.12Å; F278-F327 AromaticContact CD1-CE2 3.89Å; F278-F327 HydrophobicContact CD1-CE2 3.89Å; F278-F327 HydrophobicContact CD2-CD2 4.31Å; F278-F327 AromaticContact CD2-CE2 3.9Å; F278-F327 HydrophobicContact CD2-CE2 3.9Å; F278-F327 AromaticContact CE1-CE2 3.9Å; F278-F327 HydrophobicContact CE1-CE2 3.9Å; F278-F327 HydrophobicContact CE2-CD2 4.03Å; F278-F327 AromaticContact CE2-CE2 3.91Å; F278-F327 HydrophobicContact CE2-CE2 3.91Å; F278-F327 AromaticContact CG-CE2 3.85Å; F278-F327 HydrophobicContact CG-CE2 3.85Å; F278-F327 HydrophobicContact CZ-CD2 4.17Å; F278-F327 AromaticContact CZ-CE2 3.88Å; F278-F327 HydrophobicContact CZ-CE2 3.88Å
279I97.5Very high96.1Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-61.3-48175.5-69.9162.8000109.7L179 I182 W183 F275 N276 E281 T283 L290L179-I279 HydrophobicContact CB-CD1 4.49Å; L179-I279 HydrophobicContact CD2-CD1 4.03Å; I182-I279 HydrophobicContact CB-CD1 4.03Å; I182-I279 HydrophobicContact CG2-CD1 3.74Å; I182-I279 HydrophobicContact CG2-CG1 4.03Å; I182-I279 HydrophobicContact CG2-CG2 4.24Å; W183-I279 HydrophobicContact CB-CD1 4.43Å; W183-I279 HydrophobicContact CB-CG1 4.2Å; F275-I279 HydrophobicContact CB-CD1 4.46Å; F275-I279 WeakPolarHBondContact O-CB 3.4Å; F275-I279 WeakPolarHBondContact O-CD1 3.45Å; F275-I279 WeakPolarHBondContact O-CG1 3.16Å; F275-I279 PolarHBondContact O-N 3.08Å; N276-I279 PolarHBondContact O-N 3.48Å; I279-E281 PolarHBondContact O-N 3.45Å; I279-T283 HydrophobicContact CG2-CG2 4.38Å; I279-T283 VanDerWaalsContact O-CB 3.31Å; I279-T283 WeakPolarHBondContact O-CB 3.09Å; I279-T283 WeakPolarHBondContact O-CG2 3.49Å; I279-T283 PolarHBondContact O-N 3.09Å; I279-T283 PolarHBondContact O-OG1 3.46Å; I279-L290 HydrophobicContact CG2-CD1 4.44Å; I279-L290 HydrophobicContact CG2-CD2 4Å; I279-L290 HydrophobicContact CG2-CG 3.98Å
280T96.1Very high96.1Very high36 Ų3639.5 Ų39.522%0.22120%0.197CC..Hα-helixtrans-63.8-41.7-178.4-58.80000112.2N276 H277N276-T280 WeakPolarHBondContact O-CB 3.16Å; N276-T280 PolarHBondContact O-N 3.48Å; N276-T280 PolarHBondContact O-OG1 2.84Å; H277-T280 PolarHBondContact O-N 3.45Å
281E95.4Very high96.1Very high27 Ų2740.6 Ų40.613%0.12620%0.202CC..Hα-helixtrans-69.1-46.3-177.1173.763.2-164.400113.3H277 I279 F327 H331 Y335 N368H277-E281 VanDerWaalsContact O-CB 3.29Å; H277-E281 WeakPolarHBondContact O-CB 3.34Å; H277-E281 PolarHBondContact O-N 3.36Å; I279-E281 PolarHBondContact O-N 3.45Å; E281-F327 HydrophobicContact CB-CE1 4.21Å; E281-F327 HydrophobicContact CB-CZ 3.7Å; E281-F327 HydrophobicContact CG-CZ 4.03Å; E281-H331 IonicContact OE1-CD2 2.87Å; E281-Y335 WeakPolarHBondContact OE1-CE1 3.42Å; E281-Y335 VanDerWaalsContact OE1-CZ 3.26Å; E281-Y335 PolarHBondContact OE1-OH 3.29Å; E281-Y335 PolarHBondContact OE2-OH 3.02Å; E281-Y335 VanDerWaalsContact OE2-OH 3.06Å; E281-N368 PolarHBondContact O-ND2 3.21Å; E281-N368 VanDerWaalsContact O-ND2 3.14Å
282Y95.5Very high96.2Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-96.37.6-171-66.2-72.7000114W183 L196 R199 F278 H331 V366 N368 Y370W183-Y282 AromaticContact CH2-CD2 3.92Å; W183-Y282 HydrophobicContact CH2-CD2 3.92Å; W183-Y282 AromaticContact CZ3-CD2 3.98Å; W183-Y282 HydrophobicContact CZ3-CD2 3.98Å; W183-Y282 HydrophobicContact CZ3-CG 4.43Å; L196-Y282 HydrophobicContact CD1-CD1 3.45Å; L196-Y282 VanDerWaalsContact CD1-CD1 3.45Å; L196-Y282 HydrophobicContact CD1-CE1 3.59Å; L196-Y282 HydrophobicContact CD1-CG 4.16Å; L196-Y282 HydrophobicContact CD2-CD1 3.96Å; L196-Y282 HydrophobicContact CD2-CD2 4.45Å; L196-Y282 HydrophobicContact CD2-CG 3.82Å; L196-Y282 HydrophobicContact CG-CD1 3.51Å; L196-Y282 HydrophobicContact CG-CD2 4.11Å; L196-Y282 HydrophobicContact CG-CE1 3.78Å; L196-Y282 HydrophobicContact CG-CE2 4.41Å; L196-Y282 HydrophobicContact CG-CG 3.68Å; R199-Y282 WeakPolarHBondContact CD-OH 3.34Å; R199-Y282 PolarHBondContact NH1-OH 2.86Å; R199-Y282 VanDerWaalsContact NH1-OH 3.08Å; F278-Y282 AromaticContact CD1-CD2 3.82Å; F278-Y282 HydrophobicContact CD1-CD2 3.82Å; F278-Y282 AromaticContact CD1-CE2 3.5Å; F278-Y282 HydrophobicContact CD1-CE2 3.5Å; F278-Y282 VanDerWaalsContact CD1-CE2 3.5Å; F278-Y282 AromaticContact CE1-CE2 3.86Å; F278-Y282 HydrophobicContact CE1-CE2 3.86Å; F278-Y282 WeakPolarHBondContact O-CD2 3.44Å; F278-Y282 PolarHBondContact O-N 3.17Å; F278-Y282 VanDerWaalsContact O-N 3.12Å; Y282-H331 AromaticContact CE2-NE2 3.7Å; Y282-H331 AromaticContact CZ-NE2 3.6Å; Y282-H331 PolarHBondContact OH-CD2 3.18Å; Y282-H331 PolarHBondContact OH-NE2 2.73Å; Y282-V366 HydrophobicContact CD1-CB 4.47Å; Y282-V366 HydrophobicContact CE1-CB 4.05Å; Y282-V366 HydrophobicContact CE1-CG1 4.45Å; Y282-V366 HydrophobicContact CE1-CG2 4.21Å; Y282-N368 WeakPolarHBondContact CA-OD1 3.28Å; Y282-N368 PolarHBondContact O-OD1 3.2Å; Y282-Y370 PolarHBondContact O-OH 3.35Å
283T95.5Very high96.1Very high0 Ų045.4 Ų45.40%023%0.232CC..SBendtrans-109.8150.7172.759.60000111.1V186 I279 W287 L290 H291 N368 Y370V186-T283 HydrophobicContact CG1-CG2 4.13Å; V186-T283 HydrophobicContact CG2-CG2 3.66Å; I279-T283 HydrophobicContact CG2-CG2 4.38Å; I279-T283 VanDerWaalsContact O-CB 3.31Å; I279-T283 WeakPolarHBondContact O-CB 3.09Å; I279-T283 WeakPolarHBondContact O-CG2 3.49Å; I279-T283 PolarHBondContact O-N 3.09Å; I279-T283 PolarHBondContact O-OG1 3.46Å; T283-W287 HydrophobicContact CG2-CE3 4.24Å; T283-W287 HydrophobicContact CG2-CZ3 4.33Å; T283-L290 HydrophobicContact CG2-CD2 3.79Å; T283-H291 PolarHBondContact OG1-CD2 2.69Å; T283-H291 VanDerWaalsContact OG1-CD2 3.32Å; T283-H291 PolarHBondContact OG1-NE2 3.21Å; T283-N368 VanDerWaalsContact C-ND2 3.34Å; T283-N368 PolarHBondContact O-ND2 3.19Å; T283-Y370 WeakPolarHBondContact CA-OH 3.41Å; T283-Y370 WeakPolarHBondContact CG2-OH 3.47Å
284P94.5Very high96.1Very high25 Ų2545.5 Ų45.516%0.16223%0.232CC..  trans-59.3142.4-175.2-23.135.2000112.3S286 W287 H291 N368 Y370P284-S286 PolarHBondContact O-N 3.03Å; P284-W287 HydrophobicContact CB-CG 4.46Å; P284-W287 HydrophobicContact CG-CD2 4.17Å; P284-W287 HydrophobicContact CG-CZ2 4.22Å; P284-W287 PolarHBondContact O-N 3.23Å; P284-H291 PolarHBondContact O-CE1 3Å; P284-N368 HydrophobicContact CG-CB 4.31Å; P284-Y370 HydrophobicContact CG-CE2 3.93Å
285D91.3Very high96.1Very high99 Ų9950.4 Ų50.453%0.52925%0.251SS..THydrogen-bonded Turntrans-59.4-16.6179.5-58.9-26.6000112.9N288 R365D285-N288 PolarHBondContact O-OD1 3.5Å; D285-R365 IonicContact OD1-NH2 2.65Å; D285-R365 PolarHBondContact OD1-NH2 3.37Å; D285-R365 IonicContact OD2-NH1 3.21Å; D285-R365 PolarHBondContact OD2-NH1 2.94Å; D285-R365 IonicContact OD2-NH2 2.62Å
286S93.6Very high96.1Very high90 Ų9052 Ų5263%0.62926%0.263SS*.THydrogen-bonded Turntrans-77.9-17.1175.860.60000114.1P284 N288P284-S286 PolarHBondContact O-N 3.03Å; S286-N288 PolarHBondContact O-N 3.47Å
287W94.1Very high96.1Very high113 Ų11354.7 Ų54.743%0.42827%0.274SS..  trans-8448.5-176.8-678000112.1T283 P284 Y289 L290 H291T283-W287 HydrophobicContact CG2-CE3 4.24Å; T283-W287 HydrophobicContact CG2-CZ3 4.33Å; P284-W287 HydrophobicContact CB-CG 4.46Å; P284-W287 HydrophobicContact CG-CD2 4.17Å; P284-W287 HydrophobicContact CG-CZ2 4.22Å; P284-W287 PolarHBondContact O-N 3.23Å; W287-Y289 PolarHBondContact O-N 2.98Å; W287-Y289 VanDerWaalsContact O-N 3.08Å; W287-L290 HydrophobicContact CB-CB 4.25Å; W287-L290 HydrophobicContact CE3-CD2 3.78Å; W287-L290 HydrophobicContact CZ3-CD2 4.39Å; W287-L290 WeakPolarHBondContact O-CB 3.48Å; W287-L290 PolarHBondContact O-N 3.39Å; W287-H291 PolarHBondContact O-N 2.95Å
288N94.7Very high96.1Very high100 Ų10054 Ų5454%0.53527%0.271SS..Hα-helixtrans-53.3-34.7-175.8-68.5-45.7000113.7D285 S286 H291 T292D285-N288 PolarHBondContact O-OD1 3.5Å; S286-N288 PolarHBondContact O-N 3.47Å; N288-H291 PolarHBondContact O-N 2.67Å; N288-T292 VanDerWaalsContact O-CB 3.31Å; N288-T292 WeakPolarHBondContact O-CB 3.46Å; N288-T292 PolarHBondContact O-N 3.04Å; N288-T292 PolarHBondContact O-OG1 3.45Å
289Y96.3Very high96Very high209 Ų20959.6 Ų59.682%0.8230%0.301SS*.Hα-helixtrans-64.2-40.8176.7-70.1-68000112.3W287 T293W287-Y289 PolarHBondContact O-N 2.98Å; W287-Y289 VanDerWaalsContact O-N 3.08Å; Y289-T293 WeakPolarHBondContact O-CB 3.16Å; Y289-T293 PolarHBondContact O-N 3.44Å; Y289-T293 PolarHBondContact O-OG1 3.24Å
290L96.2Very high96Very high43 Ų4364.5 Ų64.523%0.22532%0.322CS..Hα-helixtrans-65.6-47178-179.463.6000110.3I182 I279 T283 W287 T293 S294I182-L290 HydrophobicContact CD1-CD1 4.34Å; I182-L290 HydrophobicContact CG2-CD1 4.05Å; I279-L290 HydrophobicContact CG2-CD1 4.44Å; I279-L290 HydrophobicContact CG2-CD2 4Å; I279-L290 HydrophobicContact CG2-CG 3.98Å; T283-L290 HydrophobicContact CG2-CD2 3.79Å; W287-L290 HydrophobicContact CB-CB 4.25Å; W287-L290 HydrophobicContact CE3-CD2 3.78Å; W287-L290 HydrophobicContact CZ3-CD2 4.39Å; W287-L290 WeakPolarHBondContact O-CB 3.48Å; W287-L290 PolarHBondContact O-N 3.39Å; L290-T293 PolarHBondContact O-N 2.9Å; L290-S294 WeakPolarHBondContact O-CB 3.42Å; L290-S294 PolarHBondContact O-N 3.1Å; L290-S294 PolarHBondContact O-OG 2.92Å
291H97.6Very high96.1Very high23 Ų2362.8 Ų62.811%0.10631%0.312CS..Hα-helixtrans-62.2-46.8178.3-57164.1000111.9T283 P284 W287 N288 T293 S294 W295T283-H291 PolarHBondContact OG1-CD2 2.69Å; T283-H291 VanDerWaalsContact OG1-CD2 3.32Å; T283-H291 PolarHBondContact OG1-NE2 3.21Å; P284-H291 PolarHBondContact O-CE1 3Å; W287-H291 PolarHBondContact O-N 2.95Å; N288-H291 PolarHBondContact O-N 2.67Å; H291-T293 VanDerWaalsContact C-N 3.29Å; H291-T293 PolarHBondContact O-N 3.45Å; H291-S294 PolarHBondContact O-N 3.06Å; H291-S294 PolarHBondContact O-OG 3.38Å; H291-W295 VanDerWaalsContact O-CD1 3.23Å; H291-W295 PolarHBondContact O-N 2.91Å
292T97.1Very high96.2Very high84 Ų8462.9 Ų62.952%0.51531%0.313SS..Hα-helixtrans-61.5-43.4178.1-55.80000110.3N288 W295 V296N288-T292 VanDerWaalsContact O-CB 3.31Å; N288-T292 WeakPolarHBondContact O-CB 3.46Å; N288-T292 PolarHBondContact O-N 3.04Å; N288-T292 PolarHBondContact O-OG1 3.45Å; T292-W295 PolarHBondContact O-N 3.13Å; T292-V296 HydrophobicContact CG2-CG2 4.4Å; T292-V296 WeakPolarHBondContact O-CB 3.33Å; T292-V296 WeakPolarHBondContact O-CG2 3.31Å; T292-V296 PolarHBondContact O-N 3.33Å
293T96.2Very high96.2Very high59 Ų5966.7 Ų66.736%0.36233%0.329SS..Hα-helixtrans-66.2-39.8179.4-57.70000111.9Y289 L290 H291 V296 F297Y289-T293 WeakPolarHBondContact O-CB 3.16Å; Y289-T293 PolarHBondContact O-N 3.44Å; Y289-T293 PolarHBondContact O-OG1 3.24Å; L290-T293 PolarHBondContact O-N 2.9Å; H291-T293 VanDerWaalsContact C-N 3.29Å; H291-T293 PolarHBondContact O-N 3.45Å; T293-V296 PolarHBondContact O-N 2.98Å; T293-F297 HydrophobicContact CG2-CD2 3.71Å; T293-F297 HydrophobicContact CG2-CE2 3.28Å; T293-F297 HydrophobicContact CG2-CG 4.49Å; T293-F297 HydrophobicContact CG2-CZ 3.79Å; T293-F297 WeakPolarHBondContact O-CD2 3.22Å; T293-F297 WeakPolarHBondContact O-CG 3.24Å; T293-F297 PolarHBondContact O-N 3.06Å
294S97.2Very high96.3Very high2 Ų268.2 Ų68.21%0.01434%0.336CS..Hα-helixtrans-65.6-39.8177.268.50000111.9N276 L290 H291 N298N276-S294 VanDerWaalsContact OD1-CB 3.27Å; N276-S294 WeakPolarHBondContact OD1-CB 3.37Å; N276-S294 PolarHBondContact OD1-O 3.46Å; N276-S294 PolarHBondContact OD1-OG 2.96Å; L290-S294 WeakPolarHBondContact O-CB 3.42Å; L290-S294 PolarHBondContact O-N 3.1Å; L290-S294 PolarHBondContact O-OG 2.92Å; H291-S294 PolarHBondContact O-N 3.06Å; H291-S294 PolarHBondContact O-OG 3.38Å; S294-N298 VanDerWaalsContact O-CB 3.32Å; S294-N298 WeakPolarHBondContact O-CB 3.26Å; S294-N298 PolarHBondContact O-N 2.91Å
295W97.6Very high96.3Very high103 Ų10367 Ų6739%0.3933%0.329SS..Hα-helixtrans-66-41.6174.1-85.4103.6000112.7N276 H277 H291 T292 N298 L299 F320N276-W295 VanDerWaalsContact ND2-CE2 3.34Å; N276-W295 WeakPolarHBondContact ND2-CZ3 3.4Å; N276-W295 PolarHBondContact OD1-N 2.99Å; H277-W295 AromaticContact CE1-CH2 3.6Å; H277-W295 AromaticContact CE1-CZ2 3.77Å; H291-W295 VanDerWaalsContact O-CD1 3.23Å; H291-W295 PolarHBondContact O-N 2.91Å; T292-W295 PolarHBondContact O-N 3.13Å; W295-N298 PolarHBondContact O-N 3.43Å; W295-L299 PolarHBondContact O-N 3.37Å; W295-F320 HydrophobicContact CZ3-CE2 4.23Å; W295-F320 HydrophobicContact CZ3-CZ 4.35Å
296V97.8Very high96.5Very high62 Ų6263 Ų6338%0.37631%0.307SS..Hα-helixtrans-62.6-47.5175.9168.60000110.6T292 T293 N298 L299 F300T292-V296 HydrophobicContact CG2-CG2 4.4Å; T292-V296 WeakPolarHBondContact O-CB 3.33Å; T292-V296 WeakPolarHBondContact O-CG2 3.31Å; T292-V296 PolarHBondContact O-N 3.33Å; T293-V296 PolarHBondContact O-N 2.98Å; V296-N298 PolarHBondContact O-N 3.32Å; V296-L299 PolarHBondContact O-N 3.28Å; V296-F300 HydrophobicContact CG1-CD2 3.58Å; V296-F300 HydrophobicContact CG1-CE2 3.55Å; V296-F300 VanDerWaalsContact O-CD2 3.25Å; V296-F300 WeakPolarHBondContact O-CD2 3.49Å; V296-F300 PolarHBondContact O-N 2.88Å
297F97.7Very high96.6Very high56 Ų5658.7 Ų58.725%0.24628%0.277CS..Hα-helixtrans-64.2-37.9176.5-71.4-29.5000113.1L175 F178 L179 T293 L299 F300 A301L175-F297 HydrophobicContact CD2-CB 4.33Å; L175-F297 HydrophobicContact CD2-CD1 3.6Å; L175-F297 HydrophobicContact CD2-CE1 4.02Å; L175-F297 HydrophobicContact CD2-CG 3.97Å; F178-F297 AromaticContact CD1-CD2 3.88Å; F178-F297 HydrophobicContact CD1-CD2 3.88Å; F178-F297 AromaticContact CD1-CE2 3.65Å; F178-F297 HydrophobicContact CD1-CE2 3.65Å; F178-F297 AromaticContact CE1-CD2 3.94Å; F178-F297 HydrophobicContact CE1-CD2 3.94Å; F178-F297 AromaticContact CE1-CE2 3.35Å; F178-F297 HydrophobicContact CE1-CE2 3.35Å; F178-F297 HydrophobicContact CE1-CZ 4.27Å; F178-F297 HydrophobicContact CZ-CE2 4.32Å; L179-F297 HydrophobicContact CD1-CB 4.25Å; L179-F297 HydrophobicContact CD2-CB 4.27Å; L179-F297 HydrophobicContact CD2-CD2 4.37Å; L179-F297 HydrophobicContact CG-CB 4.37Å; T293-F297 HydrophobicContact CG2-CD2 3.71Å; T293-F297 HydrophobicContact CG2-CE2 3.28Å; T293-F297 HydrophobicContact CG2-CG 4.49Å; T293-F297 HydrophobicContact CG2-CZ 3.79Å; T293-F297 WeakPolarHBondContact O-CD2 3.22Å; T293-F297 WeakPolarHBondContact O-CG 3.24Å; T293-F297 PolarHBondContact O-N 3.06Å; F297-L299 VanDerWaalsContact C-N 3.34Å; F297-L299 PolarHBondContact O-N 3.38Å; F297-F300 PolarHBondContact O-N 2.91Å; F297-A301 VanDerWaalsContact O-CB 3.27Å; F297-A301 WeakPolarHBondContact O-CB 3.2Å; F297-A301 PolarHBondContact O-N 2.93Å
298N97.5Very high96.5Very high2 Ų253.4 Ų53.41%0.01126%0.257CS..Hα-helixtrans-60-44.9173.4-173.144.5000111.7V272 T273 N276 S294 W295 V296 A301 I302V272-N298 WeakPolarHBondContact CG2-OD1 3.31Å; T273-N298 WeakPolarHBondContact CA-OD1 3.33Å; T273-N298 PolarHBondContact N-OD1 2.92Å; T273-N298 PolarHBondContact OG1-OD1 3.33Å; N276-N298 HydrophobicContact CB-CB 3.96Å; N276-N298 PolarHBondContact ND2-ND2 3.17Å; S294-N298 VanDerWaalsContact O-CB 3.32Å; S294-N298 WeakPolarHBondContact O-CB 3.26Å; S294-N298 PolarHBondContact O-N 2.91Å; W295-N298 PolarHBondContact O-N 3.43Å; V296-N298 PolarHBondContact O-N 3.32Å; N298-A301 PolarHBondContact O-N 3.39Å; N298-I302 WeakPolarHBondContact O-CB 3.33Å; N298-I302 WeakPolarHBondContact O-CG1 3.45Å; N298-I302 PolarHBondContact O-N 3.39Å
299L97.3Very high96.4Very high119 Ų11949.8 Ų49.862%0.62324%0.237SC*.Hα-helixtrans-64.5-43.9177.8-177.864.3000112.2W295 V296 F297 I302 F303W295-L299 PolarHBondContact O-N 3.37Å; V296-L299 PolarHBondContact O-N 3.28Å; F297-L299 VanDerWaalsContact C-N 3.34Å; F297-L299 PolarHBondContact O-N 3.38Å; L299-I302 PolarHBondContact O-N 2.87Å; L299-F303 WeakPolarHBondContact O-CB 3.06Å; L299-F303 PolarHBondContact O-N 3.48Å
300F97.6Very high96.1Very high103 Ų10341.1 Ų41.145%0.45220%0.204SC..Hα-helixtrans-65.7-39.6176.3-83.9-68.5000112.5L175 V296 F297 F303 F304L175-F300 HydrophobicContact CD1-CB 4.02Å; V296-F300 HydrophobicContact CG1-CD2 3.58Å; V296-F300 HydrophobicContact CG1-CE2 3.55Å; V296-F300 VanDerWaalsContact O-CD2 3.25Å; V296-F300 WeakPolarHBondContact O-CD2 3.49Å; V296-F300 PolarHBondContact O-N 2.88Å; F297-F300 PolarHBondContact O-N 2.91Å; F300-F303 PolarHBondContact O-N 3.31Å; F300-F304 HydrophobicContact CB-CE2 4.2Å; F300-F304 HydrophobicContact CD1-CZ 4.24Å; F300-F304 WeakPolarHBondContact O-CB 3.45Å; F300-F304 VanDerWaalsContact O-CD2 3.24Å; F300-F304 WeakPolarHBondContact O-CD2 3.48Å; F300-F304 WeakPolarHBondContact O-CG 3.47Å; F300-F304 PolarHBondContact O-N 2.99Å
301A97.3Very high95.9Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-60.3-47.5174.800000111.1L175 V272 F297 N298 F303 F304 I305L175-A301 HydrophobicContact CB-CB 4.39Å; L175-A301 HydrophobicContact CD1-CB 4.2Å; V272-A301 HydrophobicContact CB-CB 4.24Å; V272-A301 HydrophobicContact CG1-CB 3.98Å; V272-A301 HydrophobicContact CG2-CB 4.07Å; F297-A301 VanDerWaalsContact O-CB 3.27Å; F297-A301 WeakPolarHBondContact O-CB 3.2Å; F297-A301 PolarHBondContact O-N 2.93Å; N298-A301 PolarHBondContact O-N 3.39Å; A301-F303 VanDerWaalsContact C-N 3.35Å; A301-F303 PolarHBondContact O-N 3.44Å; A301-F304 PolarHBondContact O-N 2.97Å; A301-I305 VanDerWaalsContact O-CG1 3.3Å; A301-I305 WeakPolarHBondContact O-CG1 3.42Å; A301-I305 PolarHBondContact O-N 3.48Å
302I97Very high95.8Very high28 Ų2838.9 Ų38.914%0.14419%0.192CC..Hα-helixtrans-57.4-46.7174.6-74.7170.5000111.4T269 N298 L299 F304 I305 L306 V316 F320T269-I302 HydrophobicContact CG2-CD1 4.29Å; T269-I302 HydrophobicContact CG2-CG1 4.04Å; N298-I302 WeakPolarHBondContact O-CB 3.33Å; N298-I302 WeakPolarHBondContact O-CG1 3.45Å; N298-I302 PolarHBondContact O-N 3.39Å; L299-I302 PolarHBondContact O-N 2.87Å; I302-F304 PolarHBondContact O-N 2.61Å; I302-I305 PolarHBondContact O-N 3.43Å; I302-L306 PolarHBondContact O-N 3.29Å; I302-V316 HydrophobicContact CB-CG1 4.49Å; I302-V316 HydrophobicContact CG1-CG1 4.47Å; I302-V316 HydrophobicContact CG2-CG1 3.68Å; I302-F320 HydrophobicContact CD1-CD2 3.81Å; I302-F320 HydrophobicContact CD1-CE2 4.45Å; I302-F320 HydrophobicContact CD1-CG 4.43Å
303F96.5Very high95.7Very high80 Ų8036.1 Ų36.135%0.35118%0.176SC..Hα-helixtrans-61.2-44176.9173.6-97.9000112.1F158 I162 L299 F300 A301 L306 A307F158-F303 AromaticContact CZ-CD2 3.94Å; F158-F303 HydrophobicContact CZ-CD2 3.94Å; F158-F303 HydrophobicContact CZ-CE2 4.04Å; I162-F303 HydrophobicContact CD1-CE2 4.4Å; L299-F303 WeakPolarHBondContact O-CB 3.06Å; L299-F303 PolarHBondContact O-N 3.48Å; F300-F303 PolarHBondContact O-N 3.31Å; A301-F303 VanDerWaalsContact C-N 3.35Å; A301-F303 PolarHBondContact O-N 3.44Å; F303-L306 PolarHBondContact O-N 3.49Å; F303-A307 HydrophobicContact CE1-CB 4.23Å; F303-A307 HydrophobicContact CZ-CB 4.39Å; F303-A307 WeakPolarHBondContact O-CB 3.45Å; F303-A307 PolarHBondContact O-N 3.38Å
304F96.9Very high95.6Very high33 Ų3338.7 Ų38.715%0.14519%0.187CC..Hα-helixtrans-68.1-34.1-179.5-71.4-30.5000113.4W167 A168 A171 C172 L175 F300 A301 I302 L306 A307 A308W167-F304 HydrophobicContact CH2-CE1 4.16Å; W167-F304 HydrophobicContact CZ3-CD1 4.43Å; W167-F304 AromaticContact CZ3-CE1 3.97Å; W167-F304 HydrophobicContact CZ3-CE1 3.97Å; W167-F304 HydrophobicContact CZ3-CZ 4.25Å; A168-F304 HydrophobicContact CB-CB 4.06Å; A168-F304 HydrophobicContact CB-CD1 4.14Å; A168-F304 HydrophobicContact CB-CG 4.38Å; A168-F304 WeakPolarHBondContact CB-O 3.47Å; A168-F304 WeakPolarHBondContact O-CB 3.34Å; A171-F304 HydrophobicContact CB-CD2 3.94Å; A171-F304 HydrophobicContact CB-CE2 4.09Å; A171-F304 HydrophobicContact CB-CG 4.49Å; C172-F304 HydrophobicContact CB-CB 4.09Å; L175-F304 HydrophobicContact CD1-CD2 3.9Å; L175-F304 HydrophobicContact CD1-CE2 3.92Å; F300-F304 HydrophobicContact CB-CE2 4.2Å; F300-F304 HydrophobicContact CD1-CZ 4.24Å; F300-F304 WeakPolarHBondContact O-CB 3.45Å; F300-F304 VanDerWaalsContact O-CD2 3.24Å; F300-F304 WeakPolarHBondContact O-CD2 3.48Å; F300-F304 WeakPolarHBondContact O-CG 3.47Å; F300-F304 PolarHBondContact O-N 2.99Å; A301-F304 PolarHBondContact O-N 2.97Å; I302-F304 PolarHBondContact O-N 2.61Å; F304-L306 VanDerWaalsContact C-N 3.3Å; F304-L306 PolarHBondContact O-N 2.76Å; F304-A307 PolarHBondContact O-N 3.03Å; F304-A308 WeakPolarHBondContact O-CB 3.46Å; F304-A308 PolarHBondContact O-N 3.48Å
305I94.8Very high95.4Very high0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-57.8-46.9171.4-70.7166.4000110.4C172 H268 T269 A301 I302 H311 V316C172-I305 HydrophobicContact CB-CG1 4.11Å; C172-I305 WeakPolarHBondContact SG-CG1 3.12Å; H268-I305 HydrophobicContact CB-CD1 3.66Å; H268-I305 HydrophobicContact CB-CG1 4.32Å; T269-I305 WeakPolarHBondContact OG1-CD1 3.3Å; A301-I305 VanDerWaalsContact O-CG1 3.3Å; A301-I305 WeakPolarHBondContact O-CG1 3.42Å; A301-I305 PolarHBondContact O-N 3.48Å; I302-I305 PolarHBondContact O-N 3.43Å; I305-H311 HydrophobicContact CG2-CB 3.83Å; I305-V316 HydrophobicContact CG2-CG2 3.66Å
306L95.2Very high95.3Very high14 Ų1434.1 Ų34.17%0.07317%0.17CC..Hα-helixtrans-71.2-41.7-179.9-63.2174.3000112.1F158 L159 I302 F303 F304 A308 H309 V316F158-L306 HydrophobicContact CD1-CB 3.6Å; F158-L306 HydrophobicContact CD1-CD1 4.06Å; F158-L306 HydrophobicContact CD1-CG 4.33Å; F158-L306 HydrophobicContact CD2-CD1 4.28Å; F158-L306 HydrophobicContact CE1-CB 3.21Å; F158-L306 HydrophobicContact CE1-CD1 3.88Å; F158-L306 HydrophobicContact CE1-CG 4.16Å; F158-L306 HydrophobicContact CE2-CD1 4.11Å; F158-L306 HydrophobicContact CG-CD1 4.23Å; F158-L306 HydrophobicContact CZ-CB 3.92Å; F158-L306 HydrophobicContact CZ-CD1 3.89Å; L159-L306 HydrophobicContact CD1-CD2 4.42Å; I302-L306 PolarHBondContact O-N 3.29Å; F303-L306 PolarHBondContact O-N 3.49Å; F304-L306 VanDerWaalsContact C-N 3.3Å; F304-L306 PolarHBondContact O-N 2.76Å; L306-A308 PolarHBondContact O-N 2.93Å; L306-H309 PolarHBondContact O-CD2 3.47Å; L306-H309 VanDerWaalsContact O-CD2 3.24Å; L306-H309 PolarHBondContact O-N 3.43Å; L306-V316 HydrophobicContact CD2-CB 3.96Å; L306-V316 HydrophobicContact CD2-CG1 4.4Å; L306-V316 HydrophobicContact CD2-CG2 3.6Å; L306-V316 HydrophobicContact CG-CB 4.47Å; L306-V316 HydrophobicContact CG-CG1 4.39Å; L306-V316 HydrophobicContact CG-CG2 4.22Å
307A95.5Very high95.2Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-65.4-22.4178.300000113.2I165 A168 F303 F304 H309I165-A307 HydrophobicContact CB-CB 4.37Å; I165-A307 HydrophobicContact CD1-CB 4.12Å; I165-A307 HydrophobicContact CG1-CB 4.35Å; I165-A307 PolarHBondContact N-O 2.85Å; A168-A307 HydrophobicContact CB-CB 4.18Å; F303-A307 HydrophobicContact CE1-CB 4.23Å; F303-A307 HydrophobicContact CZ-CB 4.39Å; F303-A307 WeakPolarHBondContact O-CB 3.45Å; F303-A307 PolarHBondContact O-N 3.38Å; F304-A307 PolarHBondContact O-N 3.03Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-CD2 3.2Å
308A92.9Very high95.1Very high2 Ų236.2 Ų36.22%0.01718%0.177CC..THydrogen-bonded Turntrans-78.9-9.8171.600000113.8L164 A168 F169 H226 F304 L306 E310L164-A308 WeakPolarHBondContact CD1-O 3.37Å; A168-A308 HydrophobicContact CB-CB 4.17Å; F169-A308 HydrophobicContact CB-CB 3.71Å; F169-A308 HydrophobicContact CD2-CB 4.27Å; F169-A308 HydrophobicContact CG-CB 4.48Å; H226-A308 PolarHBondContact CE1-O 2.98Å; H226-A308 PolarHBondContact NE2-O 3.41Å; F304-A308 WeakPolarHBondContact O-CB 3.46Å; F304-A308 PolarHBondContact O-N 3.48Å; L306-A308 PolarHBondContact O-N 2.93Å; A308-E310 HydrophobicContact CB-CG 3.89Å; A308-E310 PolarHBondContact O-N 3.15Å; A308-E310 VanDerWaalsContact O-N 3.15Å
309H92.8Very high95Very high24 Ų2436.1 Ų36.111%0.11118%0.176CC..THydrogen-bonded Turntrans53.331-176.1-60-152.5000112.8L159 I162 L164 P223 L306 A307L159-H309 HydrophobicContact CD2-CB 4.46Å; L159-H309 HydrophobicContact CG-CB 4.47Å; L159-H309 PolarHBondContact O-CE1 2.95Å; I162-H309 PolarHBondContact O-CE1 3.17Å; I162-H309 PolarHBondContact O-NE2 3.07Å; L164-H309 HydrophobicContact CD1-CB 4Å; P223-H309 WeakPolarHBondContact CG-O 3.17Å; L306-H309 PolarHBondContact O-CD2 3.47Å; L306-H309 VanDerWaalsContact O-CD2 3.24Å; L306-H309 PolarHBondContact O-N 3.43Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-CD2 3.2Å
310E88.8Confident95Very high27 Ų2733.6 Ų33.613%0.12616%0.161CC..SBendtrans-90.6-18.7177-62.3-71.6139.500111.9F169 P223 H226 L227 R258 Y263 A308F169-E310 HydrophobicContact CB-CG 4.38Å; F169-E310 HydrophobicContact CD2-CB 3.89Å; F169-E310 HydrophobicContact CD2-CG 3.63Å; F169-E310 HydrophobicContact CE2-CB 3.94Å; F169-E310 HydrophobicContact CE2-CG 4.08Å; F169-E310 HydrophobicContact CG-CG 4.05Å; P223-E310 WeakPolarHBondContact CG-O 3.32Å; H226-E310 IonicContact CD2-OE1 3.71Å; H226-E310 PolarHBondContact CD2-OE1 3.46Å; H226-E310 IonicContact CE1-OE1 3.49Å; H226-E310 IonicContact NE2-OE1 3.9Å; H226-E310 PolarHBondContact NE2-OE1 3.31Å; L227-E310 WeakPolarHBondContact CD2-OE2 3.49Å; R258-E310 IonicContact CZ-OE1 2.73Å; R258-E310 IonicContact CZ-OE2 2.88Å; R258-E310 IonicContact NH2-OE1 2.79Å; R258-E310 PolarHBondContact NH2-OE1 3.15Å; R258-E310 IonicContact NH2-OE2 3.92Å; R258-E310 PolarHBondContact NH2-OE2 2.98Å; Y263-E310 WeakPolarHBondContact CD1-O 3.35Å; Y263-E310 WeakPolarHBondContact CE1-O 3.28Å; A308-E310 HydrophobicContact CB-CG 3.89Å; A308-E310 PolarHBondContact O-N 3.15Å; A308-E310 VanDerWaalsContact O-N 3.15Å
311H93.2Very high95Very high6 Ų634.2 Ų34.23%0.02816%0.161CC..SBendtrans-135.8150.5178.5-74.9-83.9000111H268 I305 D315 V316H268-H311 AromaticContact ND1-NE2 3.97Å; I305-H311 HydrophobicContact CG2-CB 3.83Å; H311-D315 IonicContact CE1-OD2 2.66Å; H311-D315 IonicContact CG-OD2 3.79Å; H311-D315 IonicContact ND1-OD2 3.52Å; H311-D315 PolarHBondContact ND1-OD2 3.32Å; H311-V316 HydrophobicContact CB-CG2 3.94Å
312Y94.3Very high94.9Very high12 Ų1236.1 Ų36.15%0.04717%0.171CC..  trans-69.7152.3171-69.4-72.7000111.5L154 D156 L220 S221 P223 L314 D315 V316L154-Y312 HydrophobicContact CB-CE1 3.98Å; L154-Y312 PolarHBondContact N-OH 2.97Å; D156-Y312 HydrophobicContact CB-CD1 4.26Å; L220-Y312 HydrophobicContact CB-CE2 4.04Å; L220-Y312 HydrophobicContact CD1-CD2 4.03Å; L220-Y312 HydrophobicContact CD1-CE2 4.24Å; S221-Y312 WeakPolarHBondContact O-CE2 3.49Å; S221-Y312 PolarHBondContact O-OH 3.44Å; S221-Y312 PolarHBondContact OG-OH 3.46Å; P223-Y312 HydrophobicContact CB-CD1 4.11Å; P223-Y312 HydrophobicContact CB-CD2 4.37Å; P223-Y312 HydrophobicContact CB-CE1 3.87Å; P223-Y312 HydrophobicContact CB-CE2 4.12Å; P223-Y312 HydrophobicContact CB-CG 4.36Å; Y312-L314 VanDerWaalsContact C-N 3.29Å; Y312-L314 PolarHBondContact O-N 3.46Å; Y312-D315 VanDerWaalsContact O-CB 3.24Å; Y312-D315 WeakPolarHBondContact O-CB 3.32Å; Y312-D315 PolarHBondContact O-N 3.01Å; Y312-D315 VanDerWaalsContact O-N 3.13Å; Y312-V316 PolarHBondContact O-N 3.48Å; Y312-V316 VanDerWaalsContact O-N 3.14Å
313S95.3Very high94.9Very high26 Ų2634.8 Ų34.818%0.18216%0.164CC..Hα-helixtrans-60.2-40.3175-58.60000112.7D156 F158 D315 V316 F317D156-S313 VanDerWaalsContact CG-OG 3.3Å; D156-S313 VanDerWaalsContact OD1-CB 3.31Å; D156-S313 WeakPolarHBondContact OD1-CB 3.41Å; D156-S313 PolarHBondContact OD1-OG 2.94Å; D156-S313 WeakPolarHBondContact OD2-CB 3.48Å; D156-S313 PolarHBondContact OD2-N 2.85Å; D156-S313 PolarHBondContact OD2-OG 3.22Å; F158-S313 WeakPolarHBondContact CB-OG 3.29Å; S313-D315 VanDerWaalsContact C-N 3.28Å; S313-D315 PolarHBondContact O-N 3.25Å; S313-V316 PolarHBondContact O-N 2.84Å; S313-F317 WeakPolarHBondContact O-CB 3.38Å; S313-F317 PolarHBondContact O-N 3.24Å
314L94.1Very high94.9Very high114 Ų11431.4 Ų31.460%0.59715%0.15SC*.Hα-helixtrans-60.4-42.4175.6-173.580.7000111.1Y312 F317 V318Y312-L314 VanDerWaalsContact C-N 3.29Å; Y312-L314 PolarHBondContact O-N 3.46Å; L314-F317 PolarHBondContact O-N 3.36Å; L314-V318 HydrophobicContact CG-CG2 4.33Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 VanDerWaalsContact O-CG2 3.27Å; L314-V318 WeakPolarHBondContact O-CG2 3.38Å; L314-V318 PolarHBondContact O-N 2.96Å
315D93.5Very high94.9Very high5 Ų535.1 Ų35.13%0.02716%0.163CC..Hα-helixtrans-60.1-48.9-179.1179.213.9000111.1Y263 F265 S266 H311 Y312 S313 A319Y263-D315 VanDerWaalsContact CA-OD2 3.24Å; Y263-D315 WeakPolarHBondContact CA-OD2 3.36Å; Y263-D315 VanDerWaalsContact O-CB 3.28Å; Y263-D315 WeakPolarHBondContact O-CB 3.36Å; Y263-D315 VanDerWaalsContact O-OD2 3.1Å; F265-D315 WeakPolarHBondContact CA-OD1 3.4Å; S266-D315 PolarHBondContact N-OD1 3.03Å; H311-D315 IonicContact CE1-OD2 2.66Å; H311-D315 IonicContact CG-OD2 3.79Å; H311-D315 IonicContact ND1-OD2 3.52Å; H311-D315 PolarHBondContact ND1-OD2 3.32Å; Y312-D315 VanDerWaalsContact O-CB 3.24Å; Y312-D315 WeakPolarHBondContact O-CB 3.32Å; Y312-D315 PolarHBondContact O-N 3.01Å; Y312-D315 VanDerWaalsContact O-N 3.13Å; S313-D315 VanDerWaalsContact C-N 3.28Å; S313-D315 PolarHBondContact O-N 3.25Å; D315-A319 VanDerWaalsContact O-CB 3.32Å; D315-A319 WeakPolarHBondContact O-CB 3.41Å; D315-A319 PolarHBondContact O-N 3.33Å
316V95.9Very high94.9Very high4 Ų437.3 Ų37.32%0.02417%0.174CC..Hα-helixtrans-65.1-43.9176.11740000112T269 I302 I305 L306 H311 Y312 S313 A319 F320T269-V316 HydrophobicContact CG2-CG1 4.09Å; I302-V316 HydrophobicContact CB-CG1 4.49Å; I302-V316 HydrophobicContact CG1-CG1 4.47Å; I302-V316 HydrophobicContact CG2-CG1 3.68Å; I305-V316 HydrophobicContact CG2-CG2 3.66Å; L306-V316 HydrophobicContact CD2-CB 3.96Å; L306-V316 HydrophobicContact CD2-CG1 4.4Å; L306-V316 HydrophobicContact CD2-CG2 3.6Å; L306-V316 HydrophobicContact CG-CB 4.47Å; L306-V316 HydrophobicContact CG-CG1 4.39Å; L306-V316 HydrophobicContact CG-CG2 4.22Å; H311-V316 HydrophobicContact CB-CG2 3.94Å; Y312-V316 PolarHBondContact O-N 3.48Å; Y312-V316 VanDerWaalsContact O-N 3.14Å; S313-V316 PolarHBondContact O-N 2.84Å; V316-A319 PolarHBondContact O-N 3.22Å; V316-F320 WeakPolarHBondContact O-CB 3.39Å; V316-F320 PolarHBondContact O-N 3.08Å
317F96Very high95Very high129 Ų12936.9 Ų36.957%0.56617%0.172SC*.Hα-helixtrans-62.3-47.1178.7174.8-101.9000112.3S313 L314 F320 Y321S313-F317 WeakPolarHBondContact O-CB 3.38Å; S313-F317 PolarHBondContact O-N 3.24Å; L314-F317 PolarHBondContact O-N 3.36Å; F317-F320 PolarHBondContact O-N 2.9Å; F317-Y321 WeakPolarHBondContact O-CB 3.35Å; F317-Y321 PolarHBondContact O-N 3.26Å
318V95.1Very high94.9Very high32 Ų3240.7 Ų40.719%0.19419%0.192CC..Hα-helixtrans-64.4-41.5178.4171.50000110.5F265 L314 Y321 I322F265-V318 HydrophobicContact CB-CG1 4.31Å; L314-V318 HydrophobicContact CG-CG2 4.33Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 VanDerWaalsContact O-CG2 3.27Å; L314-V318 WeakPolarHBondContact O-CG2 3.38Å; L314-V318 PolarHBondContact O-N 2.96Å; V318-Y321 PolarHBondContact O-N 3.05Å; V318-I322 HydrophobicContact CG1-CD1 3.52Å; V318-I322 HydrophobicContact CG1-CG1 4.12Å; V318-I322 WeakPolarHBondContact O-CB 3.44Å; V318-I322 WeakPolarHBondContact O-CG1 3.4Å; V318-I322 PolarHBondContact O-N 3.4Å
319A96.1Very high94.9Very high0 Ų047.7 Ų47.70%022%0.219CC..Hα-helixtrans-58.7-48.6175.300000112.2F265 S266 T269 D315 V316 S323F265-A319 HydrophobicContact CB-CB 3.98Å; F265-A319 HydrophobicContact CD2-CB 4.02Å; F265-A319 HydrophobicContact CG-CB 4.43Å; S266-A319 WeakPolarHBondContact O-CB 3.3Å; T269-A319 HydrophobicContact CG2-CB 3.8Å; D315-A319 VanDerWaalsContact O-CB 3.32Å; D315-A319 WeakPolarHBondContact O-CB 3.41Å; D315-A319 PolarHBondContact O-N 3.33Å; V316-A319 PolarHBondContact O-N 3.22Å; A319-S323 WeakPolarHBondContact O-CB 3.45Å; A319-S323 PolarHBondContact O-N 2.94Å; A319-S323 PolarHBondContact O-OG 3.04Å
320F96.7Very high94.8Very high66 Ų6647.5 Ų47.529%0.28922%0.218SC..Hα-helixtrans-60.8-45.6177173.6-98.4000111.5T269 T273 W295 I302 V316 F317 S324T269-F320 HydrophobicContact CG2-CB 4.07Å; T273-F320 HydrophobicContact CG2-CD2 3.8Å; T273-F320 HydrophobicContact CG2-CE2 4.1Å; W295-F320 HydrophobicContact CZ3-CE2 4.23Å; W295-F320 HydrophobicContact CZ3-CZ 4.35Å; I302-F320 HydrophobicContact CD1-CD2 3.81Å; I302-F320 HydrophobicContact CD1-CE2 4.45Å; I302-F320 HydrophobicContact CD1-CG 4.43Å; V316-F320 WeakPolarHBondContact O-CB 3.39Å; V316-F320 PolarHBondContact O-N 3.08Å; F317-F320 PolarHBondContact O-N 2.9Å; F320-S324 WeakPolarHBondContact O-CB 3.45Å; F320-S324 PolarHBondContact O-N 3.09Å; F320-S324 PolarHBondContact O-OG 3.42Å
321Y96.7Very high95Very high116 Ų11646.6 Ų46.646%0.45521%0.213SC..Hα-helixtrans-64.7-53.4-178.8-179.3-97.7000112.1F317 V318 S323 S324 R325F317-Y321 WeakPolarHBondContact O-CB 3.35Å; F317-Y321 PolarHBondContact O-N 3.26Å; V318-Y321 PolarHBondContact O-N 3.05Å; Y321-S323 PolarHBondContact O-N 3.36Å; Y321-S324 PolarHBondContact O-N 3.3Å; Y321-R325 HydrophobicContact CD1-CG 4.24Å; Y321-R325 HydrophobicContact CD2-CG 4.12Å; Y321-R325 HydrophobicContact CE1-CG 3.96Å; Y321-R325 HydrophobicContact CE2-CG 3.82Å; Y321-R325 HydrophobicContact CG-CG 4.32Å; Y321-R325 WeakPolarHBondContact O-CB 3.43Å; Y321-R325 WeakPolarHBondContact O-CG 3.16Å; Y321-R325 PolarHBondContact O-N 2.97Å
322I95.9Very high94.9Very high41 Ų4149.4 Ų49.421%0.2123%0.233CC..Hα-helixtrans-60.8-47.6-179.3-70.4177.7000110.5L210 F265 V318 S324 R325 L326L210-I322 HydrophobicContact CD2-CD1 4.14Å; L210-I322 HydrophobicContact CD2-CG2 3.78Å; F265-I322 HydrophobicContact CD1-CD1 4.28Å; F265-I322 HydrophobicContact CE1-CD1 4.44Å; V318-I322 HydrophobicContact CG1-CD1 3.52Å; V318-I322 HydrophobicContact CG1-CG1 4.12Å; V318-I322 WeakPolarHBondContact O-CB 3.44Å; V318-I322 WeakPolarHBondContact O-CG1 3.4Å; V318-I322 PolarHBondContact O-N 3.4Å; I322-S324 PolarHBondContact O-N 2.97Å; I322-R325 PolarHBondContact O-N 3.46Å; I322-L326 WeakPolarHBondContact O-CB 3.3Å; I322-L326 PolarHBondContact O-N 2.85Å
323S96.6Very high94.5Very high0 Ų050.3 Ų50.30%024%0.239CC..Hα-helixtrans-60-48.1-179.5-61.20000111.5T270 M274 A319 Y321 F327T270-S323 PolarHBondContact OG1-OG 3.01Å; M274-S323 WeakPolarHBondContact CE-O 3.34Å; A319-S323 WeakPolarHBondContact O-CB 3.45Å; A319-S323 PolarHBondContact O-N 2.94Å; A319-S323 PolarHBondContact O-OG 3.04Å; Y321-S323 PolarHBondContact O-N 3.36Å; S323-F327 VanDerWaalsContact O-CB 3.3Å; S323-F327 WeakPolarHBondContact O-CB 3.44Å; S323-F327 PolarHBondContact O-N 3.44Å
324S97.1Very high94.2Very high8 Ų849 Ų496%0.05623%0.23CC..Hα-helixtrans-64.3-43.8178.8-600000112T273 H277 F320 Y321 I322 F327 L328T273-S324 WeakPolarHBondContact CG2-OG 3.33Å; H277-S324 WeakPolarHBondContact NE2-CB 3.48Å; H277-S324 PolarHBondContact NE2-OG 3.49Å; F320-S324 WeakPolarHBondContact O-CB 3.45Å; F320-S324 PolarHBondContact O-N 3.09Å; F320-S324 PolarHBondContact O-OG 3.42Å; Y321-S324 PolarHBondContact O-N 3.3Å; I322-S324 PolarHBondContact O-N 2.97Å; S324-F327 PolarHBondContact O-N 3.34Å; S324-L328 WeakPolarHBondContact O-CB 3.43Å; S324-L328 VanDerWaalsContact O-CG 3.23Å; S324-L328 WeakPolarHBondContact O-CG 3.3Å; S324-L328 PolarHBondContact O-N 3.19Å
325R96.5Very high93.9Very high111 Ų11147 Ų4742%0.41922%0.215SC..Hα-helixtrans-69.3-43.4-178.1-67.8-68.6152.4-164.1-5111.9Y321 I322 F327 L328 Y329Y321-R325 HydrophobicContact CD1-CG 4.24Å; Y321-R325 HydrophobicContact CD2-CG 4.12Å; Y321-R325 HydrophobicContact CE1-CG 3.96Å; Y321-R325 HydrophobicContact CE2-CG 3.82Å; Y321-R325 HydrophobicContact CG-CG 4.32Å; Y321-R325 WeakPolarHBondContact O-CB 3.43Å; Y321-R325 WeakPolarHBondContact O-CG 3.16Å; Y321-R325 PolarHBondContact O-N 2.97Å; I322-R325 PolarHBondContact O-N 3.46Å; R325-F327 VanDerWaalsContact C-N 3.31Å; R325-F327 PolarHBondContact O-N 3.09Å; R325-L328 PolarHBondContact O-N 3.48Å; R325-Y329 HydrophobicContact CB-CD2 4.32Å; R325-Y329 HydrophobicContact CB-CE2 4.1Å; R325-Y329 WeakPolarHBondContact O-CB 3.46Å; R325-Y329 WeakPolarHBondContact O-CD2 3.43Å; R325-Y329 PolarHBondContact O-N 3.42Å
326L94.6Very high93.3Very high46 Ų4652.1 Ų52.124%0.24124%0.238CC..Hα-helixtrans-63-41.7177.3-169.968.4000111L203 T206 V207 I322 Y330L203-L326 HydrophobicContact CD2-CD2 4.09Å; L203-L326 HydrophobicContact CD2-CG 3.86Å; T206-L326 HydrophobicContact CG2-CD2 3.93Å; V207-L326 HydrophobicContact CG2-CD2 3.42Å; V207-L326 VanDerWaalsContact CG2-CD2 3.42Å; I322-L326 WeakPolarHBondContact O-CB 3.3Å; I322-L326 PolarHBondContact O-N 2.85Å; L326-Y330 VanDerWaalsContact O-CB 3.28Å; L326-Y330 WeakPolarHBondContact O-CB 3.29Å; L326-Y330 PolarHBondContact O-N 2.71Å
327F96.6Very high92.3Very high6 Ų652.4 Ų52.43%0.02624%0.242CC..Hα-helixtrans-58.6-51.2174.5-176.3-84.7000111.8L203 M274 H277 F278 E281 S323 S324 R325 Y330 H331L203-F327 HydrophobicContact CD1-CD2 4.06Å; M274-F327 HydrophobicContact SD-CB 4.46Å; M274-F327 HydrophobicContact SD-CD2 4.21Å; H277-F327 HydrophobicContact CB-CD1 3.78Å; H277-F327 HydrophobicContact CB-CD2 3.8Å; H277-F327 HydrophobicContact CB-CE1 3.77Å; H277-F327 HydrophobicContact CB-CE2 3.76Å; H277-F327 HydrophobicContact CB-CG 3.8Å; H277-F327 HydrophobicContact CB-CZ 3.76Å; H277-F327 WeakPolarHBondContact O-CZ 3.49Å; F278-F327 AromaticContact CD1-CE2 3.89Å; F278-F327 HydrophobicContact CD1-CE2 3.89Å; F278-F327 HydrophobicContact CD2-CD2 4.31Å; F278-F327 AromaticContact CD2-CE2 3.9Å; F278-F327 HydrophobicContact CD2-CE2 3.9Å; F278-F327 AromaticContact CE1-CE2 3.9Å; F278-F327 HydrophobicContact CE1-CE2 3.9Å; F278-F327 HydrophobicContact CE2-CD2 4.03Å; F278-F327 AromaticContact CE2-CE2 3.91Å; F278-F327 HydrophobicContact CE2-CE2 3.91Å; F278-F327 AromaticContact CG-CE2 3.85Å; F278-F327 HydrophobicContact CG-CE2 3.85Å; F278-F327 HydrophobicContact CZ-CD2 4.17Å; F278-F327 AromaticContact CZ-CE2 3.88Å; F278-F327 HydrophobicContact CZ-CE2 3.88Å; E281-F327 HydrophobicContact CB-CE1 4.21Å; E281-F327 HydrophobicContact CB-CZ 3.7Å; E281-F327 HydrophobicContact CG-CZ 4.03Å; S323-F327 VanDerWaalsContact O-CB 3.3Å; S323-F327 WeakPolarHBondContact O-CB 3.44Å; S323-F327 PolarHBondContact O-N 3.44Å; S324-F327 PolarHBondContact O-N 3.34Å; R325-F327 VanDerWaalsContact C-N 3.31Å; R325-F327 PolarHBondContact O-N 3.09Å; F327-Y330 PolarHBondContact O-N 3.32Å; F327-H331 AromaticContact CD1-ND1 3.71Å; F327-H331 AromaticContact CD2-CE1 3.64Å; F327-H331 AromaticContact CD2-ND1 3.9Å; F327-H331 AromaticContact CE1-CE1 3.74Å; F327-H331 AromaticContact CE1-ND1 3.54Å; F327-H331 AromaticContact CE2-CE1 3.19Å; F327-H331 WeakPolarHBondContact CE2-CE1 3.47Å; F327-H331 AromaticContact CE2-ND1 3.76Å; F327-H331 AromaticContact CE2-NE2 3.95Å; F327-H331 AromaticContact CG-ND1 3.88Å; F327-H331 AromaticContact CZ-CE1 3.24Å; F327-H331 WeakPolarHBondContact CZ-CE1 3.35Å; F327-H331 AromaticContact CZ-ND1 3.56Å; F327-H331 AromaticContact CZ-NE2 3.71Å; F327-H331 PolarHBondContact O-N 2.88Å; F327-H331 PolarHBondContact O-ND1 3.43Å
328L95Very high90.9Very high80 Ų8053 Ų5342%0.41925%0.246SC..Hα-helixtrans-63.6-43.1-179.5-71.2171.8000112.3S324 R325 H331 S332S324-L328 WeakPolarHBondContact O-CB 3.43Å; S324-L328 VanDerWaalsContact O-CG 3.23Å; S324-L328 WeakPolarHBondContact O-CG 3.3Å; S324-L328 PolarHBondContact O-N 3.19Å; R325-L328 PolarHBondContact O-N 3.48Å; L328-H331 PolarHBondContact O-N 3.48Å; L328-S332 WeakPolarHBondContact O-CB 3.29Å; L328-S332 PolarHBondContact O-N 3.09Å
329Y91.7Very high89.5Confident148 Ų14855.3 Ų55.358%0.5827%0.268SS*.Hα-helixtrans-63.3-43.5177.5-73-44.2000112R325 S332 L333R325-Y329 HydrophobicContact CB-CD2 4.32Å; R325-Y329 HydrophobicContact CB-CE2 4.1Å; R325-Y329 WeakPolarHBondContact O-CB 3.46Å; R325-Y329 WeakPolarHBondContact O-CD2 3.43Å; R325-Y329 PolarHBondContact O-N 3.42Å; Y329-S332 PolarHBondContact O-N 3.49Å; Y329-L333 WeakPolarHBondContact O-CB 3.24Å; Y329-L333 PolarHBondContact O-N 2.87Å
330Y92.1Very high88.1Confident21 Ų2157.3 Ų57.38%0.08228%0.281CS..Hα-helixtrans-60.2-48.7177.1-175.4-76.9000111.7R199 L203 L326 F327 L333 A334 F354 E358R199-Y330 HydrophobicContact CB-CE1 4.14Å; R199-Y330 HydrophobicContact CG-CE1 3.69Å; R199-Y330 WeakPolarHBondContact CG-OH 3.36Å; L203-Y330 HydrophobicContact CD1-CD1 3.83Å; L203-Y330 HydrophobicContact CD1-CD2 4.27Å; L203-Y330 HydrophobicContact CD1-CE1 4.39Å; L203-Y330 HydrophobicContact CD1-CG 3.8Å; L203-Y330 HydrophobicContact CD2-CD2 3.79Å; L203-Y330 HydrophobicContact CD2-CG 3.8Å; L203-Y330 HydrophobicContact CG-CD1 4.33Å; L203-Y330 HydrophobicContact CG-CD2 3.86Å; L203-Y330 HydrophobicContact CG-CE2 4.31Å; L203-Y330 HydrophobicContact CG-CG 3.89Å; L326-Y330 VanDerWaalsContact O-CB 3.28Å; L326-Y330 WeakPolarHBondContact O-CB 3.29Å; L326-Y330 PolarHBondContact O-N 2.71Å; F327-Y330 PolarHBondContact O-N 3.32Å; Y330-L333 PolarHBondContact O-N 2.99Å; Y330-A334 WeakPolarHBondContact O-CB 3.35Å; Y330-A334 PolarHBondContact O-N 2.97Å; Y330-F354 AromaticContact CD2-CD2 3.74Å; Y330-F354 HydrophobicContact CD2-CD2 3.74Å; Y330-F354 HydrophobicContact CD2-CE2 4.47Å; Y330-F354 HydrophobicContact CE1-CD2 4.43Å; Y330-F354 HydrophobicContact CE1-CE2 4.43Å; Y330-F354 HydrophobicContact CE2-CB 4.44Å; Y330-F354 AromaticContact CE2-CD2 3.58Å; Y330-F354 HydrophobicContact CE2-CD2 3.58Å; Y330-F354 HydrophobicContact CE2-CE2 4.35Å; Y330-F354 HydrophobicContact CE2-CG 4.48Å; Y330-F354 HydrophobicContact CG-CD2 4.24Å; Y330-F354 AromaticContact CZ-CD2 3.93Å; Y330-E358 WeakPolarHBondContact OH-CG 3.46Å; Y330-E358 PolarHBondContact OH-OE1 3.24Å
331H92.7Very high86.3Confident7 Ų756.8 Ų56.83%0.03229%0.285CS..Hα-helixtrans-71-36.8-178.4-71.378.8000112E281 Y282 F327 L328 L333 A334 Y335E281-H331 IonicContact OE1-CD2 2.87Å; Y282-H331 AromaticContact CE2-NE2 3.7Å; Y282-H331 AromaticContact CZ-NE2 3.6Å; Y282-H331 PolarHBondContact OH-CD2 3.18Å; Y282-H331 PolarHBondContact OH-NE2 2.73Å; F327-H331 AromaticContact CD1-ND1 3.71Å; F327-H331 AromaticContact CD2-CE1 3.64Å; F327-H331 AromaticContact CD2-ND1 3.9Å; F327-H331 AromaticContact CE1-CE1 3.74Å; F327-H331 AromaticContact CE1-ND1 3.54Å; F327-H331 AromaticContact CE2-CE1 3.19Å; F327-H331 WeakPolarHBondContact CE2-CE1 3.47Å; F327-H331 AromaticContact CE2-ND1 3.76Å; F327-H331 AromaticContact CE2-NE2 3.95Å; F327-H331 AromaticContact CG-ND1 3.88Å; F327-H331 AromaticContact CZ-CE1 3.24Å; F327-H331 WeakPolarHBondContact CZ-CE1 3.35Å; F327-H331 AromaticContact CZ-ND1 3.56Å; F327-H331 AromaticContact CZ-NE2 3.71Å; F327-H331 PolarHBondContact O-N 2.88Å; F327-H331 PolarHBondContact O-ND1 3.43Å; L328-H331 PolarHBondContact O-N 3.48Å; H331-L333 VanDerWaalsContact C-N 3.28Å; H331-L333 PolarHBondContact O-N 3.19Å; H331-A334 PolarHBondContact O-N 3.09Å; H331-Y335 HydrophobicContact CB-CE1 4.46Å; H331-Y335 WeakPolarHBondContact O-CB 3.36Å; H331-Y335 WeakPolarHBondContact O-CD1 3.36Å; H331-Y335 PolarHBondContact O-N 3.23Å
332S90Very high84.5Confident65 Ų6555.4 Ų55.446%0.45530%0.298SS..Hα-helixtrans-57.8-42.8171.9-178.40000111.7L328 Y329 H336L328-S332 WeakPolarHBondContact O-CB 3.29Å; L328-S332 PolarHBondContact O-N 3.09Å; Y329-S332 PolarHBondContact O-N 3.49Å; S332-H336 PolarHBondContact O-N 2.87Å; S332-H336 PolarHBondContact O-ND1 3.46Å
333L87.4Confident82.5Confident31 Ų3156.9 Ų56.916%0.16232%0.323CS..Hα-helixtrans-71.5-41.1177.8-170.961.8000111.5Y329 Y330 H331 Y335 H336 A337 V340 T347 F351 F354Y329-L333 WeakPolarHBondContact O-CB 3.24Å; Y329-L333 PolarHBondContact O-N 2.87Å; Y330-L333 PolarHBondContact O-N 2.99Å; H331-L333 VanDerWaalsContact C-N 3.28Å; H331-L333 PolarHBondContact O-N 3.19Å; L333-Y335 VanDerWaalsContact C-N 3.29Å; L333-Y335 PolarHBondContact O-N 2.98Å; L333-H336 CarbonylContact O-C 3.49Å; L333-H336 PolarHBondContact O-N 3.45Å; L333-A337 VanDerWaalsContact O-CA 3.3Å; L333-A337 WeakPolarHBondContact O-CA 3.41Å; L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 2.84Å; L333-V340 HydrophobicContact CD1-CB 4.19Å; L333-V340 HydrophobicContact CD1-CG1 3.85Å; L333-V340 HydrophobicContact CD1-CG2 4.17Å; L333-T347 HydrophobicContact CD1-CG2 4.44Å; L333-F351 HydrophobicContact CD2-CD2 4.43Å; L333-F354 HydrophobicContact CB-CE1 4.36Å; L333-F354 HydrophobicContact CB-CE2 3.93Å; L333-F354 HydrophobicContact CB-CZ 3.83Å; L333-F354 HydrophobicContact CD1-CE1 4.48Å; L333-F354 HydrophobicContact CD2-CD1 3.32Å; L333-F354 HydrophobicContact CD2-CD2 3.96Å; L333-F354 HydrophobicContact CD2-CE1 3.28Å; L333-F354 HydrophobicContact CD2-CE2 3.9Å; L333-F354 HydrophobicContact CD2-CG 3.71Å; L333-F354 HydrophobicContact CD2-CZ 3.59Å; L333-F354 HydrophobicContact CG-CD1 4.03Å; L333-F354 HydrophobicContact CG-CD2 4.46Å; L333-F354 HydrophobicContact CG-CE1 3.42Å; L333-F354 VanDerWaalsContact CG-CE1 3.42Å; L333-F354 HydrophobicContact CG-CE2 3.89Å; L333-F354 HydrophobicContact CG-CZ 3.35Å
334A87.9Confident80.9Confident0 Ų059.9 Ų59.90%034%0.339CS..Hα-helixtrans-61.6-36.817600000112.6Y330 H331 F354 G364Y330-A334 WeakPolarHBondContact O-CB 3.35Å; Y330-A334 PolarHBondContact O-N 2.97Å; H331-A334 PolarHBondContact O-N 3.09Å; A334-F354 HydrophobicContact CB-CE2 4.12Å; A334-F354 HydrophobicContact CB-CZ 4.45Å; A334-G364 WeakPolarHBondContact O-CA 3.45Å; A334-G364 PolarHBondContact O-N 3.23Å; A334-G364 VanDerWaalsContact O-N 3.14Å
335Y87Confident79.5Confident72 Ų7263.9 Ų63.928%0.28237%0.367SS..Hα-helixtrans-67.6-38.9177.1-73.79.8000112.2E281 H331 L333 R365E281-Y335 WeakPolarHBondContact OE1-CE1 3.42Å; E281-Y335 VanDerWaalsContact OE1-CZ 3.26Å; E281-Y335 PolarHBondContact OE1-OH 3.29Å; E281-Y335 PolarHBondContact OE2-OH 3.02Å; E281-Y335 VanDerWaalsContact OE2-OH 3.06Å; H331-Y335 HydrophobicContact CB-CE1 4.46Å; H331-Y335 WeakPolarHBondContact O-CB 3.36Å; H331-Y335 WeakPolarHBondContact O-CD1 3.36Å; H331-Y335 PolarHBondContact O-N 3.23Å; L333-Y335 VanDerWaalsContact C-N 3.29Å; L333-Y335 PolarHBondContact O-N 2.98Å; Y335-R365 HydrophobicContact CD1-CB 3.85Å; Y335-R365 HydrophobicContact CD1-CG 4.38Å; Y335-R365 HydrophobicContact CE1-CB 3.63Å; Y335-R365 HydrophobicContact CE1-CG 3.64Å; Y335-R365 HydrophobicContact CE2-CB 4.39Å; Y335-R365 HydrophobicContact CE2-CG 4.3Å; Y335-R365 HydrophobicContact CG-CB 4.35Å; Y335-R365 WeakPolarHBondContact OH-CD 3.31Å; Y335-R365 WeakPolarHBondContact OH-CG 3.46Å; Y335-R365 PolarHBondContact OH-NE 3.21Å
336H82.2Confident78.4Confident111 Ų11166.4 Ų66.451%0.51438%0.376SS..THydrogen-bonded Turntrans-101.112.6-177.7-60.490.2000113.3S332 L333 Q338 A339 V340S332-H336 PolarHBondContact O-N 2.87Å; S332-H336 PolarHBondContact O-ND1 3.46Å; L333-H336 CarbonylContact O-C 3.49Å; L333-H336 PolarHBondContact O-N 3.45Å; H336-Q338 PolarHBondContact O-N 3.48Å; H336-Q338 VanDerWaalsContact O-N 3.12Å; H336-A339 PolarHBondContact O-N 2.93Å; H336-V340 HydrophobicContact CB-CG2 4.37Å; H336-V340 WeakPolarHBondContact O-CG2 3.31Å; H336-V340 PolarHBondContact O-N 2.91Å
337A75.3Confident77.3Confident11 Ų1165.2 Ų65.29%0.09137%0.371CS..Hα-helixtrans-63-25-171.700000113.2L333 V340 S341 F354 V363L333-A337 VanDerWaalsContact O-CA 3.3Å; L333-A337 WeakPolarHBondContact O-CA 3.41Å; L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 2.84Å; A337-V340 PolarHBondContact O-N 3.09Å; A337-S341 WeakPolarHBondContact O-CA 3.23Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.85Å; A337-F354 HydrophobicContact CB-CZ 4.39Å; A337-V363 HydrophobicContact CB-CG1 3.49Å; A337-V363 VanDerWaalsContact CB-CG1 3.49Å
338Q66.5Low76.1Confident141 Ų14169.5 Ų69.566%0.65939%0.387SS*.Hα-helixtrans-64.4-41.8173.2-94.3166.118.800111.7H336 A342 V363H336-Q338 PolarHBondContact O-N 3.48Å; H336-Q338 VanDerWaalsContact O-N 3.12Å; Q338-A342 WeakPolarHBondContact O-CB 3.03Å; Q338-V363 HydrophobicContact CB-CG1 4Å; Q338-V363 HydrophobicContact CG-CB 3.84Å; Q338-V363 HydrophobicContact CG-CG1 3.56Å; Q338-V363 HydrophobicContact CG-CG2 4.46Å
339A65.7Low75.2Confident80 Ų8071.9 Ų71.966%0.66140%0.399SS*.Hα-helixtrans-74.4-34.4179.200000111.7H336H336-A339 PolarHBondContact O-N 2.93Å
340V65.1Low74.4Confident43 Ų4374.2 Ų74.226%0.26141%0.407SS..Hα-helixtrans-87.5-44.7-173.7179.40000112.5L333 H336 A337 A342 G343 D344 T347L333-V340 HydrophobicContact CD1-CB 4.19Å; L333-V340 HydrophobicContact CD1-CG1 3.85Å; L333-V340 HydrophobicContact CD1-CG2 4.17Å; H336-V340 HydrophobicContact CB-CG2 4.37Å; H336-V340 WeakPolarHBondContact O-CG2 3.31Å; H336-V340 PolarHBondContact O-N 2.91Å; A337-V340 PolarHBondContact O-N 3.09Å; V340-A342 VanDerWaalsContact C-N 3.28Å; V340-A342 PolarHBondContact O-N 3.21Å; V340-G343 PolarHBondContact O-N 3.38Å; V340-D344 PolarHBondContact O-N 3.37Å; V340-T347 HydrophobicContact CG1-CG2 3.19Å
341S60.8Low74Confident54 Ų5477.8 Ų77.838%0.37842%0.423SS..Hα-helixtrans-72.7-20.1-174.7-154.40000113.1A337A337-S341 WeakPolarHBondContact O-CA 3.23Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.85Å
342A57.3Low73.5Confident88 Ų8881 Ų8173%0.72744%0.444SS*.THydrogen-bonded Turntrans-77.3-19.2178.200000113.7Q338 V340Q338-A342 WeakPolarHBondContact O-CB 3.03Å; V340-A342 VanDerWaalsContact C-N 3.28Å; V340-A342 PolarHBondContact O-N 3.21Å
343G55.7Low73.3Confident72 Ų7280.8 Ų80.874%0.74244%0.438SS*.THydrogen-bonded Turntrans-128.1-22.8-167.300000116.7V340V340-G343 PolarHBondContact O-N 3.38Å
344D62.9Low73.2Confident63 Ų6380.4 Ų80.434%0.33744%0.435SS..  trans-130106.5-167.8-162-3.2000114.2V340 R346 T347V340-D344 PolarHBondContact O-N 3.37Å; D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 VanDerWaalsContact O-N 3.13Å; D344-R346 WeakPolarHBondContact OD1-CB 3.35Å; D344-R346 VanDerWaalsContact OD1-CD 3.31Å; D344-R346 WeakPolarHBondContact OD1-CD 3.38Å; D344-R346 WeakPolarHBondContact OD1-CG 3.27Å; D344-R346 PolarHBondContact OD1-N 3.22Å; D344-R346 IonicContact OD1-NE 3.42Å; D344-R346 WeakPolarHBondContact OD2-CD 3.33Å; D344-T347 PolarHBondContact O-N 3.1Å; D344-T347 PolarHBondContact O-OG1 3.45Å
345S67.2Low73Confident91 Ų9181.4 Ų81.464%0.63644%0.439SS*.THydrogen-bonded Turntrans-61.8-14.9173.261.50000113.3T347 R348S345-T347 VanDerWaalsContact C-N 3.29Å; S345-T347 PolarHBondContact O-N 3.42Å; S345-R348 WeakPolarHBondContact O-CB 3.38Å; S345-R348 PolarHBondContact O-N 3.49Å
346R73.6Confident72.9Confident164 Ų16480.6 Ų80.662%0.61944%0.437SS*.Hα-helixtrans-62.3-35.5176.8-67.3170.9-177.4172.3-0.2112.4D344 R348 I349 W350D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 VanDerWaalsContact O-N 3.13Å; D344-R346 WeakPolarHBondContact OD1-CB 3.35Å; D344-R346 VanDerWaalsContact OD1-CD 3.31Å; D344-R346 WeakPolarHBondContact OD1-CD 3.38Å; D344-R346 WeakPolarHBondContact OD1-CG 3.27Å; D344-R346 PolarHBondContact OD1-N 3.22Å; D344-R346 IonicContact OD1-NE 3.42Å; D344-R346 WeakPolarHBondContact OD2-CD 3.33Å; R346-R348 PolarHBondContact O-N 2.96Å; R346-I349 PolarHBondContact O-N 3.22Å; R346-W350 VanDerWaalsContact O-CD1 3.25Å; R346-W350 PolarHBondContact O-N 2.89Å
347T70.6Confident73.1Confident22 Ų2275.5 Ų75.514%0.13541%0.413CS..Hα-helixtrans-61.9-33.2-179.454.60000113L333 V340 D344 S345 I349 F351L333-T347 HydrophobicContact CD1-CG2 4.44Å; V340-T347 HydrophobicContact CG1-CG2 3.19Å; D344-T347 PolarHBondContact O-N 3.1Å; D344-T347 PolarHBondContact O-OG1 3.45Å; S345-T347 VanDerWaalsContact C-N 3.29Å; S345-T347 PolarHBondContact O-N 3.42Å; T347-I349 VanDerWaalsContact C-N 3.32Å; T347-I349 PolarHBondContact O-N 2.98Å; T347-F351 CarbonylContact O-C 3.58Å; T347-F351 WeakPolarHBondContact O-CA 3.31Å; T347-F351 PolarHBondContact O-N 2.86Å
348R72.6Confident73.7Confident96 Ų9675.5 Ų75.536%0.36241%0.411SS..Hα-helixtrans-63.9-35.8172.9-177.2178.8174.4-145.4-2.6112.8I104 S345 R346 P352 W355I104-R348 VanDerWaalsContact CG1-CZ 3.41Å; I104-R348 VanDerWaalsContact CG1-NH2 3.28Å; S345-R348 WeakPolarHBondContact O-CB 3.38Å; S345-R348 PolarHBondContact O-N 3.49Å; R346-R348 PolarHBondContact O-N 2.96Å; R348-P352 WeakPolarHBondContact O-CA 3.24Å; R348-W355 HydrophobicContact CB-CD2 4.37Å; R348-W355 HydrophobicContact CB-CG 4.14Å; R348-W355 HydrophobicContact CG-CD2 3.92Å; R348-W355 HydrophobicContact CG-CE3 4.14Å; R348-W355 HydrophobicContact CG-CG 4.19Å
349I74.8Confident74.4Confident129 Ų12969.1 Ų69.166%0.66238%0.382SS*.Hα-helixtrans-79.2-46.5-178.8-60.8171.1000110.8R346 T347R346-I349 PolarHBondContact O-N 3.22Å; T347-I349 VanDerWaalsContact C-N 3.32Å; T347-I349 PolarHBondContact O-N 2.98Å
350W75.4Confident74.9Confident198 Ų19866.4 Ų66.475%0.7536%0.362SS*.Hα-helixtrans-76.6-33.1-175.6-75.783.3000112.9R346R346-W350 VanDerWaalsContact O-CD1 3.25Å; R346-W350 PolarHBondContact O-N 2.89Å
351F82.8Confident75.4Confident95 Ų9565.1 Ų65.142%0.41736%0.357SS..  trans-135.867.6-178-57.8-80.6000111.5L333 T347 L353 F354 W355L333-F351 HydrophobicContact CD2-CD2 4.43Å; T347-F351 CarbonylContact O-C 3.58Å; T347-F351 WeakPolarHBondContact O-CA 3.31Å; T347-F351 PolarHBondContact O-N 2.86Å; F351-L353 VanDerWaalsContact C-N 3.35Å; F351-L353 PolarHBondContact O-N 3.12Å; F351-F354 HydrophobicContact CB-CB 3.72Å; F351-F354 HydrophobicContact CB-CG 4.49Å; F351-F354 WeakPolarHBondContact O-CB 2.92Å; F351-F354 PolarHBondContact O-N 3.2Å; F351-F354 VanDerWaalsContact O-N 3.17Å; F351-W355 PolarHBondContact O-N 2.91Å
352P83.4Confident75.8Confident74 Ų7466.4 Ų66.448%0.48136%0.357SS..Hα-helixtrans-61.9-38.7-174.923.2-33.8000113.1R348 W355 F356R348-P352 WeakPolarHBondContact O-CA 3.24Å; P352-W355 PolarHBondContact O-N 3.45Å; P352-F356 WeakPolarHBondContact O-CB 3.24Å; P352-F356 PolarHBondContact O-N 3.13Å
353L84.9Confident76.3Confident62 Ų6264.6 Ų64.633%0.32534%0.337SS..Hα-helixtrans-66.1-40.9176.5-70.1176.3000111.9Y126 F351 F357Y126-L353 HydrophobicContact CE1-CD1 4.11Å; Y126-L353 HydrophobicContact CE2-CD1 4.08Å; F351-L353 VanDerWaalsContact C-N 3.35Å; F351-L353 PolarHBondContact O-N 3.12Å; L353-F357 HydrophobicContact CB-CD2 4.44Å; L353-F357 HydrophobicContact CB-CE2 4.4Å; L353-F357 HydrophobicContact CD2-CE2 4.06Å; L353-F357 WeakPolarHBondContact O-CB 3.32Å; L353-F357 WeakPolarHBondContact O-CD2 3.23Å; L353-F357 PolarHBondContact O-N 3.38Å; L353-F357 VanDerWaalsContact O-N 3.07Å
354F85.7Confident77.5Confident22 Ų2261.9 Ų61.910%0.09631%0.309CS..Hα-helixtrans-60.2-52.5175.5171.6-87.6000110.3Y330 L333 A334 A337 F351 F356 F357 E358Y330-F354 AromaticContact CD2-CD2 3.74Å; Y330-F354 HydrophobicContact CD2-CD2 3.74Å; Y330-F354 HydrophobicContact CD2-CE2 4.47Å; Y330-F354 HydrophobicContact CE1-CD2 4.43Å; Y330-F354 HydrophobicContact CE1-CE2 4.43Å; Y330-F354 HydrophobicContact CE2-CB 4.44Å; Y330-F354 AromaticContact CE2-CD2 3.58Å; Y330-F354 HydrophobicContact CE2-CD2 3.58Å; Y330-F354 HydrophobicContact CE2-CE2 4.35Å; Y330-F354 HydrophobicContact CE2-CG 4.48Å; Y330-F354 HydrophobicContact CG-CD2 4.24Å; Y330-F354 AromaticContact CZ-CD2 3.93Å; L333-F354 HydrophobicContact CB-CE1 4.36Å; L333-F354 HydrophobicContact CB-CE2 3.93Å; L333-F354 HydrophobicContact CB-CZ 3.83Å; L333-F354 HydrophobicContact CD1-CE1 4.48Å; L333-F354 HydrophobicContact CD2-CD1 3.32Å; L333-F354 HydrophobicContact CD2-CD2 3.96Å; L333-F354 HydrophobicContact CD2-CE1 3.28Å; L333-F354 HydrophobicContact CD2-CE2 3.9Å; L333-F354 HydrophobicContact CD2-CG 3.71Å; L333-F354 HydrophobicContact CD2-CZ 3.59Å; L333-F354 HydrophobicContact CG-CD1 4.03Å; L333-F354 HydrophobicContact CG-CD2 4.46Å; L333-F354 HydrophobicContact CG-CE1 3.42Å; L333-F354 VanDerWaalsContact CG-CE1 3.42Å; L333-F354 HydrophobicContact CG-CE2 3.89Å; L333-F354 HydrophobicContact CG-CZ 3.35Å; A334-F354 HydrophobicContact CB-CE2 4.12Å; A334-F354 HydrophobicContact CB-CZ 4.45Å; A337-F354 HydrophobicContact CB-CZ 4.39Å; F351-F354 HydrophobicContact CB-CB 3.72Å; F351-F354 HydrophobicContact CB-CG 4.49Å; F351-F354 WeakPolarHBondContact O-CB 2.92Å; F351-F354 PolarHBondContact O-N 3.2Å; F351-F354 VanDerWaalsContact O-N 3.17Å; F354-F356 VanDerWaalsContact C-N 3.34Å; F354-F356 PolarHBondContact O-N 2.64Å; F354-F357 PolarHBondContact O-N 3.35Å; F354-E358 HydrophobicContact CD2-CG 4.19Å; F354-E358 HydrophobicContact CE1-CB 4.41Å; F354-E358 HydrophobicContact CE2-CB 4.34Å; F354-E358 HydrophobicContact CE2-CG 3.88Å; F354-E358 HydrophobicContact CZ-CB 4.13Å; F354-E358 HydrophobicContact CZ-CG 4.17Å; F354-E358 WeakPolarHBondContact O-CB 3.4Å; F354-E358 PolarHBondContact O-N 2.83Å
355W83.3Confident78.6Confident22 Ų2264.5 Ų64.58%0.08331%0.314CS..Hα-helixtrans-56.7-49.6179.8173.284.5000110.4I104 I107 E108 R348 F351 P352 F357 S359I104-W355 HydrophobicContact CB-CH2 4.39Å; I104-W355 HydrophobicContact CB-CZ2 4.37Å; I104-W355 HydrophobicContact CG1-CH2 4.2Å; I104-W355 HydrophobicContact CG1-CZ2 4.47Å; I104-W355 HydrophobicContact CG2-CH2 4.31Å; I104-W355 HydrophobicContact CG2-CZ2 3.8Å; I107-W355 HydrophobicContact CB-CH2 3.9Å; I107-W355 HydrophobicContact CB-CZ2 4.4Å; I107-W355 HydrophobicContact CB-CZ3 4.49Å; I107-W355 HydrophobicContact CD1-CH2 3.82Å; I107-W355 HydrophobicContact CD1-CZ3 3.95Å; I107-W355 HydrophobicContact CG1-CH2 4.49Å; I107-W355 HydrophobicContact CG2-CH2 3.7Å; I107-W355 HydrophobicContact CG2-CZ2 4.1Å; I107-W355 HydrophobicContact CG2-CZ3 3.95Å; E108-W355 HydrophobicContact CG-CZ2 3.84Å; E108-W355 PolarHBondContact OE1-NE1 3.45Å; R348-W355 HydrophobicContact CB-CD2 4.37Å; R348-W355 HydrophobicContact CB-CG 4.14Å; R348-W355 HydrophobicContact CG-CD2 3.92Å; R348-W355 HydrophobicContact CG-CE3 4.14Å; R348-W355 HydrophobicContact CG-CG 4.19Å; F351-W355 PolarHBondContact O-N 2.91Å; P352-W355 PolarHBondContact O-N 3.45Å; W355-F357 PolarHBondContact O-N 3.14Å; W355-S359 PolarHBondContact NE1-OG 3.29Å; W355-S359 WeakPolarHBondContact O-CB 3.5Å; W355-S359 PolarHBondContact O-N 3.15Å; W355-S359 PolarHBondContact O-OG 2.61Å
356F86.1Confident79.6Confident54 Ų5460.2 Ų60.224%0.23728%0.284CS..Hα-helixtrans-60.2-44.5-178.7178.7-94.4000113.5I107 K119 L122 P352 F354I107-F356 HydrophobicContact CD1-CD2 3.89Å; I107-F356 HydrophobicContact CD1-CE2 3.95Å; I107-F356 HydrophobicContact CG1-CD2 4.35Å; I107-F356 HydrophobicContact CG1-CE2 4.18Å; I107-F356 HydrophobicContact CG2-CD2 4.13Å; K119-F356 WeakPolarHBondContact CE-O 3.47Å; K119-F356 HydrophobicContact CG-CE1 4.29Å; L122-F356 HydrophobicContact CD2-CE1 3.55Å; L122-F356 HydrophobicContact CD2-CZ 3.65Å; L122-F356 HydrophobicContact CG-CE1 4.46Å; P352-F356 WeakPolarHBondContact O-CB 3.24Å; P352-F356 PolarHBondContact O-N 3.13Å; F354-F356 VanDerWaalsContact C-N 3.34Å; F354-F356 PolarHBondContact O-N 2.64Å
357F86.2Confident80.3Confident4 Ų454.4 Ų54.42%0.01827%0.268CS..Hα-helixtrans-78.7-34.4-175.4-70.9-51.2000113.4K119 L122 A123 R198 L353 F354 W355K119-F357 HydrophobicContact CB-CD1 4.41Å; K119-F357 WeakPolarHBondContact O-CE1 3.5Å; L122-F357 HydrophobicContact CB-CE1 4.46Å; L122-F357 HydrophobicContact CG-CE1 4.48Å; A123-F357 HydrophobicContact CB-CD1 4.12Å; A123-F357 HydrophobicContact CB-CE1 3.61Å; A123-F357 HydrophobicContact CB-CE2 4.26Å; A123-F357 HydrophobicContact CB-CZ 3.7Å; R198-F357 WeakPolarHBondContact CD-O 3.39Å; R198-F357 HydrophobicContact CG-CB 3.96Å; R198-F357 HydrophobicContact CG-CD1 3.97Å; R198-F357 HydrophobicContact CG-CG 4.07Å; R198-F357 PolarHBondContact NE-O 2.99Å; R198-F357 PolarHBondContact NH1-O 2.99Å; R198-F357 PolarHBondContact NH2-O 3.34Å; L353-F357 HydrophobicContact CB-CD2 4.44Å; L353-F357 HydrophobicContact CB-CE2 4.4Å; L353-F357 HydrophobicContact CD2-CE2 4.06Å; L353-F357 WeakPolarHBondContact O-CB 3.32Å; L353-F357 WeakPolarHBondContact O-CD2 3.23Å; L353-F357 PolarHBondContact O-N 3.38Å; L353-F357 VanDerWaalsContact O-N 3.07Å; F354-F357 PolarHBondContact O-N 3.35Å; W355-F357 PolarHBondContact O-N 3.14Å
358E86.7Confident81.2Confident12 Ų1255 Ų556%0.05627%0.27CS..Hα-helixtrans-94.7-20.9-176.5-65.8-63.3111.500114R198 R199 Y330 F354 G360 G361R198-E358 IonicContact CZ-OE1 3.4Å; R198-E358 IonicContact NE-OE1 3.99Å; R198-E358 PolarHBondContact NE-OE1 3.3Å; R198-E358 IonicContact NH2-OE1 3.21Å; R198-E358 PolarHBondContact NH2-OE1 2.86Å; R198-E358 IonicContact NH2-OE2 2.72Å; R199-E358 IonicContact CZ-OE2 2.71Å; R199-E358 IonicContact NE-OE1 3.96Å; R199-E358 PolarHBondContact NE-OE1 3.37Å; R199-E358 IonicContact NE-OE2 3.71Å; R199-E358 PolarHBondContact NE-OE2 2.95Å; R199-E358 VanDerWaalsContact NE-OE2 3.13Å; R199-E358 IonicContact NH2-OE2 3.34Å; R199-E358 PolarHBondContact NH2-OE2 3.27Å; Y330-E358 WeakPolarHBondContact OH-CG 3.46Å; Y330-E358 PolarHBondContact OH-OE1 3.24Å; F354-E358 HydrophobicContact CD2-CG 4.19Å; F354-E358 HydrophobicContact CE1-CB 4.41Å; F354-E358 HydrophobicContact CE2-CB 4.34Å; F354-E358 HydrophobicContact CE2-CG 3.88Å; F354-E358 HydrophobicContact CZ-CB 4.13Å; F354-E358 HydrophobicContact CZ-CG 4.17Å; F354-E358 WeakPolarHBondContact O-CB 3.4Å; F354-E358 PolarHBondContact O-N 2.83Å; E358-G360 PolarHBondContact O-N 3.39Å; E358-G361 PolarHBondContact O-N 3.29Å; E358-G361 VanDerWaalsContact O-N 3.14Å
359S81.3Confident82Confident7 Ų754.7 Ų54.75%0.04927%0.273CS..THydrogen-bonded Turntrans-54.8138.3175.5-81.40000112K119 W355 G361K119-S359 PolarHBondContact NZ-O 2.66Å; W355-S359 PolarHBondContact NE1-OG 3.29Å; W355-S359 WeakPolarHBondContact O-CB 3.5Å; W355-S359 PolarHBondContact O-N 3.15Å; W355-S359 PolarHBondContact O-OG 2.61Å; S359-G361 PolarHBondContact O-N 3.48Å
360G76Confident82.6Confident22 Ų2252 Ų5223%0.22726%0.255CS..THydrogen-bonded Turntrans69.6-11.1-178.900000115.9E108 S109 A110 D111 E358E108-G360 WeakPolarHBondContact O-CA 3.45Å; S109-G360 VanDerWaalsContact O-CA 3.27Å; S109-G360 WeakPolarHBondContact O-CA 3.2Å; A110-G360 CarbonylContact C-O 3.46Å; D111-G360 WeakPolarHBondContact CB-O 3.08Å; D111-G360 PolarHBondContact N-O 2.67Å; E358-G360 PolarHBondContact O-N 3.39Å
361G76.3Confident83.1Confident16 Ų1646.2 Ų46.217%0.16524%0.236CC..SBendtrans-78.9-171.5-177.700000114.4D111 E358 S359 V363D111-G361 WeakPolarHBondContact OD2-CA 3.21Å; E358-G361 PolarHBondContact O-N 3.29Å; E358-G361 VanDerWaalsContact O-N 3.14Å; S359-G361 PolarHBondContact O-N 3.48Å; G361-V363 WeakPolarHBondContact O-CG2 3.44Å; G361-V363 PolarHBondContact O-N 3.44Å
362Q68Low83.1Confident82 Ų8249.9 Ų49.938%0.38325%0.247SC..  trans-69.1104.4170.4-171.8174.5-2.900109H192H192-Q362 PolarHBondContact CE1-OE1 2.99Å; H192-Q362 PolarHBondContact ND1-OE1 3.28Å; H192-Q362 VanDerWaalsContact ND1-OE1 3.09Å
363V68.6Low82.7Confident50 Ų5048.8 Ų48.830%0.30324%0.24SC..  trans-82.9131.4-178.3-168.60000110.3A337 Q338 G361A337-V363 HydrophobicContact CB-CG1 3.49Å; A337-V363 VanDerWaalsContact CB-CG1 3.49Å; Q338-V363 HydrophobicContact CB-CG1 4Å; Q338-V363 HydrophobicContact CG-CB 3.84Å; Q338-V363 HydrophobicContact CG-CG1 3.56Å; Q338-V363 HydrophobicContact CG-CG2 4.46Å; G361-V363 WeakPolarHBondContact O-CG2 3.44Å; G361-V363 PolarHBondContact O-N 3.44Å
364G80.5Confident82.2Confident15 Ų1550.7 Ų50.716%0.15525%0.25CS..SBendtrans116.9-170.6-178.800000114.3A334 V366A334-G364 WeakPolarHBondContact O-CA 3.45Å; A334-G364 PolarHBondContact O-N 3.23Å; A334-G364 VanDerWaalsContact O-N 3.14Å; G364-V366 PolarHBondContact O-N 3.06Å
365R86Confident81.1Confident118 Ų11852.7 Ų52.745%0.44527%0.265SS..SBendtrans-67128.2172.4-174.1171.3-168.8-150.3-2.3109.2D285 Y335D285-R365 IonicContact OD1-NH2 2.65Å; D285-R365 PolarHBondContact OD1-NH2 3.37Å; D285-R365 IonicContact OD2-NH1 3.21Å; D285-R365 PolarHBondContact OD2-NH1 2.94Å; D285-R365 IonicContact OD2-NH2 2.62Å; Y335-R365 HydrophobicContact CD1-CB 3.85Å; Y335-R365 HydrophobicContact CD1-CG 4.38Å; Y335-R365 HydrophobicContact CE1-CB 3.63Å; Y335-R365 HydrophobicContact CE1-CG 3.64Å; Y335-R365 HydrophobicContact CE2-CB 4.39Å; Y335-R365 HydrophobicContact CE2-CG 4.3Å; Y335-R365 HydrophobicContact CG-CB 4.35Å; Y335-R365 WeakPolarHBondContact OH-CD 3.31Å; Y335-R365 WeakPolarHBondContact OH-CG 3.46Å; Y335-R365 PolarHBondContact OH-NE 3.21Å
366V89Confident80.2Confident1 Ų155 Ų551%0.00629%0.285CS..PPolyproline II helixtrans-71.8129.2177.6177.10000107.9H192 V195 L196 Y282 G364H192-V366 HydrophobicContact CB-CG1 3.74Å; V195-V366 HydrophobicContact CG1-CG2 4Å; L196-V366 HydrophobicContact CD1-CG1 4.17Å; Y282-V366 HydrophobicContact CD1-CB 4.47Å; Y282-V366 HydrophobicContact CE1-CB 4.05Å; Y282-V366 HydrophobicContact CE1-CG1 4.45Å; Y282-V366 HydrophobicContact CE1-CG2 4.21Å; G364-V366 PolarHBondContact O-N 3.06Å
367P88.4Confident78.8Confident42 Ų4260 Ų6027%0.27331%0.311SS..PPolyproline II helixtrans-70.9134.4177.729.7-34.1000110H190 H192 E369H190-P367 PolarHBondContact CE1-O 3.31Å; H192-P367 WeakPolarHBondContact NE2-CG 3.48Å; P367-E369 HydrophobicContact CB-CG 4.23Å; P367-E369 PolarHBondContact O-N 3.36Å
368N89.5Confident77.5Confident34 Ų3463.2 Ų63.218%0.18233%0.334CS..  trans-79.262.1-179.3-67.5-19.1000110.7E281 Y282 T283 P284 Y370E281-N368 PolarHBondContact O-ND2 3.21Å; E281-N368 VanDerWaalsContact O-ND2 3.14Å; Y282-N368 WeakPolarHBondContact CA-OD1 3.28Å; Y282-N368 PolarHBondContact O-OD1 3.2Å; T283-N368 VanDerWaalsContact C-ND2 3.34Å; T283-N368 PolarHBondContact O-ND2 3.19Å; P284-N368 HydrophobicContact CG-CB 4.31Å; N368-Y370 HydrophobicContact CB-CE2 4.47Å
369E89.2Confident76.2Confident89 Ų8965.4 Ų65.442%0.41635%0.348SS..  trans-99.8131.9178.4-70.1177.7-160.600110.8K191 P367K191-E369 HydrophobicContact CB-CB 4.25Å; K191-E369 VanDerWaalsContact CB-O 3.24Å; K191-E369 WeakPolarHBondContact CB-O 3.41Å; K191-E369 HydrophobicContact CD-CB 4Å; K191-E369 VanDerWaalsContact CD-OE2 3.23Å; K191-E369 WeakPolarHBondContact CD-OE2 3.5Å; K191-E369 PolarHBondContact N-O 3.34Å; K191-E369 IonicContact NZ-OE2 3.36Å; K191-E369 PolarHBondContact NZ-OE2 3.16Å; P367-E369 HydrophobicContact CB-CG 4.23Å; P367-E369 PolarHBondContact O-N 3.36Å
370Y87.4Confident75.1Confident72 Ų7268.8 Ų68.828%0.28237%0.365SS..BIsolated β-bridgetrans-111.5134.2-176.8-69.6-100.6000110.4V186 F189 Y282 T283 P284 N368V186-Y370 HydrophobicContact CG1-CE1 4.4Å; F189-Y370 HydrophobicContact CB-CD1 3.78Å; F189-Y370 HydrophobicContact CB-CE1 4.47Å; F189-Y370 CarbonylContact O-C 3.59Å; F189-Y370 WeakPolarHBondContact O-CA 3.29Å; F189-Y370 WeakPolarHBondContact O-CB 3.26Å; F189-Y370 WeakPolarHBondContact O-CD1 3.3Å; Y282-Y370 PolarHBondContact O-OH 3.35Å; T283-Y370 WeakPolarHBondContact CA-OH 3.41Å; T283-Y370 WeakPolarHBondContact CG2-OH 3.47Å; P284-Y370 HydrophobicContact CG-CE2 3.93Å; N368-Y370 HydrophobicContact CB-CE2 4.47Å
371E85.9Confident74.4Confident78 Ų7870.4 Ų70.436%0.36437%0.373SS..  trans-129.4152.4176.974-177.7-179.800110.3F189 K191 R193F189-E371 PolarHBondContact O-N 3.01Å; F189-E371 VanDerWaalsContact O-O 3.05Å; K191-E371 HydrophobicContact CB-CG 4.19Å; K191-E371 HydrophobicContact CG-CG 4.47Å; R193-E371 IonicContact NH1-OE1 3.13Å; R193-E371 PolarHBondContact NH1-OE1 3.14Å
372W82.5Confident73.5Confident172 Ų17272.3 Ų72.365%0.65238%0.382SS*.  trans-68.3126.9172.9-172.9-108000109.5F189 L374F189-W372 HydrophobicContact CD1-CE3 4.23Å; F189-W372 HydrophobicContact CD1-CZ3 4.46Å; F189-W372 HydrophobicContact CE1-CD2 4.48Å; F189-W372 AromaticContact CE1-CE3 3.53Å; F189-W372 HydrophobicContact CE1-CE3 3.53Å; F189-W372 HydrophobicContact CE1-CH2 4.23Å; F189-W372 AromaticContact CE1-CZ3 3.4Å; F189-W372 HydrophobicContact CE1-CZ3 3.4Å; F189-W372 AromaticContact CZ-CZ3 3.96Å; F189-W372 HydrophobicContact CZ-CZ3 3.96Å; W372-L374 VanDerWaalsContact CD1-O 3.29Å; W372-L374 HydrophobicContact CZ2-CD1 4.03Å; W372-L374 PolarHBondContact O-N 3.31Å
373P75.9Confident73.1Confident51 Ų5176.2 Ų76.233%0.33139%0.394SS..SBendtrans-71.1-29.8-17326.4-36.2000113.2I188 F189I188-P373 HydrophobicContact CG2-CB 4.16Å; I188-P373 HydrophobicContact CG2-CG 3.75Å; I188-P373 WeakPolarHBondContact O-CB 3.29Å; F189-P373 HydrophobicContact CD1-CG 4.32Å; F189-P373 HydrophobicContact CE1-CG 4.14Å
374L72.5Confident73Confident102 Ų10279.6 Ų79.653%0.53442%0.415SS..SBendtrans-76.5141.2179.8-57.2170.3000109.3W372 S376W372-L374 VanDerWaalsContact CD1-O 3.29Å; W372-L374 HydrophobicContact CZ2-CD1 4.03Å; W372-L374 PolarHBondContact O-N 3.31Å; L374-S376 PolarHBondContact O-N 3.44Å
375P63.8Low72.2Confident63 Ų6383.7 Ų83.741%0.40943%0.433SS..  trans-54.1136.6168.1-1222.6000108.9T379P375-T379 HydrophobicContact CB-CG2 3.7Å
376S64.4Low71Confident71 Ų7179.4 Ų79.450%0.49743%0.425SS..  trans-42.5145.4167.7165.70000110.5L374 S378 T379 L380L374-S376 PolarHBondContact O-N 3.44Å; S376-S378 PolarHBondContact O-N 3.15Å; S376-S378 PolarHBondContact OG-N 2.79Å; S376-S378 PolarHBondContact OG-OG 3.49Å; S376-T379 WeakPolarHBondContact O-CA 3.27Å; S376-T379 WeakPolarHBondContact O-CB 3.46Å; S376-T379 PolarHBondContact O-N 2.88Å; S376-L380 PolarHBondContact O-N 2.73Å
377M57.5Low69.7Low158 Ų15884.3 Ų84.378%0.77845%0.451SS*.Hα-helixtrans-49.2-29.6175.8-74.9-69.7-77.100112.6S381M377-S381 WeakPolarHBondContact O-CB 3.43Å; M377-S381 PolarHBondContact O-N 2.71Å
378S58.8Low68.3Low73 Ų7383.6 Ų83.651%0.5145%0.449SS..Hα-helixtrans-65.3-41.7172.757.70000113.4S376 S381 T382S376-S378 PolarHBondContact O-N 3.15Å; S376-S378 PolarHBondContact OG-N 2.79Å; S376-S378 PolarHBondContact OG-OG 3.49Å; S378-S381 PolarHBondContact O-N 3.24Å; S378-T382 PolarHBondContact O-N 3.31Å; S378-T382 PolarHBondContact O-OG1 2.73Å
379T59.2Low67.1Low58 Ų5888.7 Ų88.736%0.35647%0.47SS..Hα-helixtrans-69.8-42.4176.8-52.30000110.8P375 S376 S381 T382 Y383P375-T379 HydrophobicContact CB-CG2 3.7Å; S376-T379 WeakPolarHBondContact O-CA 3.27Å; S376-T379 WeakPolarHBondContact O-CB 3.46Å; S376-T379 PolarHBondContact O-N 2.88Å; T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.43Å; T379-T382 WeakPolarHBondContact O-CA 3.38Å; T379-T382 WeakPolarHBondContact O-CB 3.28Å; T379-T382 PolarHBondContact O-N 3.31Å; T379-T382 VanDerWaalsContact O-N 3.08Å; T379-Y383 HydrophobicContact CG2-CD2 4.06Å; T379-Y383 HydrophobicContact CG2-CE2 4.06Å; T379-Y383 WeakPolarHBondContact O-CD2 3.45Å; T379-Y383 PolarHBondContact O-N 3.03Å
380L57.7Low66Low77 Ų7788.2 Ų88.240%0.40347%0.473SS..Hα-helixtrans-58.3-45.3172.1-95159.4000111.4S376 T382 Y383 V384S376-L380 PolarHBondContact O-N 2.73Å; L380-T382 VanDerWaalsContact C-N 3.29Å; L380-T382 PolarHBondContact O-N 2.89Å; L380-Y383 PolarHBondContact O-N 3.26Å; L380-V384 WeakPolarHBondContact O-CB 3.43Å; L380-V384 VanDerWaalsContact O-CG2 3.29Å; L380-V384 WeakPolarHBondContact O-CG2 3.01Å; L380-V384 PolarHBondContact O-N 2.85Å
381S61.5Low65.2Low56 Ų5693 Ų9339%0.39249%0.491SS..Hα-helixtrans-59.4-39.2172.7-177.60000111.9M377 S378 T379 Y383 V384 N385M377-S381 WeakPolarHBondContact O-CB 3.43Å; M377-S381 PolarHBondContact O-N 2.71Å; S378-S381 PolarHBondContact O-N 3.24Å; T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.43Å; S381-Y383 VanDerWaalsContact C-N 3.35Å; S381-Y383 PolarHBondContact O-N 3.28Å; S381-V384 PolarHBondContact O-N 3.47Å; S381-N385 WeakPolarHBondContact O-CB 3.37Å; S381-N385 PolarHBondContact O-N 3.35Å; S381-N385 PolarHBondContact O-ND2 3.48Å; S381-N385 VanDerWaalsContact O-ND2 3.15Å; S381-N385 PolarHBondContact OG-ND2 2.93Å; S381-N385 VanDerWaalsContact OG-ND2 3.11Å
382T57.8Low64.5Low57 Ų5792.4 Ų92.435%0.3550%0.495SS..Hα-helixtrans-66.9-34177.2-42.70000112.9S378 T379 L380 L387 A388S378-T382 PolarHBondContact O-N 3.31Å; S378-T382 PolarHBondContact O-OG1 2.73Å; T379-T382 WeakPolarHBondContact O-CA 3.38Å; T379-T382 WeakPolarHBondContact O-CB 3.28Å; T379-T382 PolarHBondContact O-N 3.31Å; T379-T382 VanDerWaalsContact O-N 3.08Å; L380-T382 VanDerWaalsContact C-N 3.29Å; L380-T382 PolarHBondContact O-N 2.89Å; T382-L387 HydrophobicContact CG2-CB 3.88Å; T382-L387 PolarHBondContact O-N 2.84Å; T382-A388 HydrophobicContact CG2-CB 4.39Å; T382-A388 PolarHBondContact O-N 3.2Å
383Y59.1Low63.9Low164 Ų16489.9 Ų89.964%0.64349%0.489SS*.Hα-helixtrans-70.9-47.1172.5-91.4-83.1000111.6T379 L380 S381 N385 G386 A388T379-Y383 HydrophobicContact CG2-CD2 4.06Å; T379-Y383 HydrophobicContact CG2-CE2 4.06Å; T379-Y383 WeakPolarHBondContact O-CD2 3.45Å; T379-Y383 PolarHBondContact O-N 3.03Å; L380-Y383 PolarHBondContact O-N 3.26Å; S381-Y383 VanDerWaalsContact C-N 3.35Å; S381-Y383 PolarHBondContact O-N 3.28Å; Y383-N385 VanDerWaalsContact C-N 3.32Å; Y383-N385 PolarHBondContact O-N 3.2Å; Y383-G386 PolarHBondContact O-N 2.88Å; Y383-G386 VanDerWaalsContact O-N 3.16Å; Y383-A388 HydrophobicContact CD1-CB 4.37Å; Y383-A388 HydrophobicContact CE1-CB 4.47Å; Y383-A388 HydrophobicContact CG-CB 4.43Å
384V65.8Low63.8Low120 Ų12096.8 Ų96.873%0.72751%0.508SS*.Hα-helixtrans-62.6-39177.1172.50000111.2L380 S381 G386L380-V384 WeakPolarHBondContact O-CB 3.43Å; L380-V384 VanDerWaalsContact O-CG2 3.29Å; L380-V384 WeakPolarHBondContact O-CG2 3.01Å; L380-V384 PolarHBondContact O-N 2.85Å; S381-V384 PolarHBondContact O-N 3.47Å; V384-G386 PolarHBondContact O-N 2.95Å
385N65.2Low63.9Low101 Ų10196.5 Ų96.554%0.5450%0.504SS..THydrogen-bonded Turntrans-76.82178.8-67.2-19.8000113.3S381 Y383 L387S381-N385 WeakPolarHBondContact O-CB 3.37Å; S381-N385 PolarHBondContact O-N 3.35Å; S381-N385 PolarHBondContact O-ND2 3.48Å; S381-N385 VanDerWaalsContact O-ND2 3.15Å; S381-N385 PolarHBondContact OG-ND2 2.93Å; S381-N385 VanDerWaalsContact OG-ND2 3.11Å; Y383-N385 VanDerWaalsContact C-N 3.32Å; Y383-N385 PolarHBondContact O-N 3.2Å; N385-L387 HydrophobicContact CB-CD1 4.26Å; N385-L387 PolarHBondContact O-N 3.36Å
386G60.3Low64.4Low28 Ų2898.1 Ų98.129%0.28951%0.507SS..THydrogen-bonded Turntrans65.41.4178.300000115.4Y383 V384 A388 F389 T390Y383-G386 PolarHBondContact O-N 2.88Å; Y383-G386 VanDerWaalsContact O-N 3.16Å; V384-G386 PolarHBondContact O-N 2.95Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.36Å; G386-F389 PolarHBondContact O-N 2.76Å; G386-T390 PolarHBondContact O-N 3.31Å; G386-T390 PolarHBondContact O-OG1 3.49Å
387L60.4Low64.9Low105 Ų10598.5 Ų98.555%0.5550%0.503SS..Hα-helixtrans-65.8-34.3179-86.2159.4000111.9T382 N385 T390 R391T382-L387 HydrophobicContact CG2-CB 3.88Å; T382-L387 PolarHBondContact O-N 2.84Å; N385-L387 HydrophobicContact CB-CD1 4.26Å; N385-L387 PolarHBondContact O-N 3.36Å; L387-T390 VanDerWaalsContact CA-OG1 3.3Å; L387-T390 WeakPolarHBondContact CA-OG1 3.22Å; L387-T390 PolarHBondContact O-OG1 2.72Å; L387-R391 VanDerWaalsContact O-CB 3.28Å; L387-R391 WeakPolarHBondContact O-CB 3.16Å; L387-R391 PolarHBondContact O-N 3.07Å
388A59.2Low65.8Low27 Ų2794.7 Ų94.722%0.22349%0.488CS..Hα-helixtrans-66.2-41.717400000111.8T382 Y383 G386 R391 S392T382-A388 HydrophobicContact CG2-CB 4.39Å; T382-A388 PolarHBondContact O-N 3.2Å; Y383-A388 HydrophobicContact CD1-CB 4.37Å; Y383-A388 HydrophobicContact CE1-CB 4.47Å; Y383-A388 HydrophobicContact CG-CB 4.43Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.36Å; A388-R391 PolarHBondContact O-N 3.01Å; A388-S392 WeakPolarHBondContact O-CB 3.28Å; A388-S392 PolarHBondContact O-N 2.89Å
389F65Low66.6Low140 Ų14096.6 Ų96.661%0.61449%0.487SS*.Hα-helixtrans-65.3-47.7177.2-178.1-101.5000111.3G386 R391 S392 F393G386-F389 PolarHBondContact O-N 2.76Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.13Å; F389-S392 PolarHBondContact O-N 3.16Å; F389-F393 AromaticContact CE1-CD2 3.79Å; F389-F393 HydrophobicContact CE1-CD2 3.79Å; F389-F393 HydrophobicContact CE1-CE2 4.12Å; F389-F393 HydrophobicContact CE2-CD2 4.13Å; F389-F393 HydrophobicContact CE2-CE2 4.35Å; F389-F393 AromaticContact CZ-CD2 3.58Å; F389-F393 HydrophobicContact CZ-CD2 3.58Å; F389-F393 AromaticContact CZ-CE2 3.63Å; F389-F393 HydrophobicContact CZ-CE2 3.63Å; F389-F393 WeakPolarHBondContact O-CB 3.45Å; F389-F393 PolarHBondContact O-N 2.95Å
390T67.3Low67.2Low80 Ų8099 Ų9949%0.49150%0.496SS..Hα-helixtrans-63-36.8177.351.30000112.7G386 L387 F393 R394G386-T390 PolarHBondContact O-N 3.31Å; G386-T390 PolarHBondContact O-OG1 3.49Å; L387-T390 VanDerWaalsContact CA-OG1 3.3Å; L387-T390 WeakPolarHBondContact CA-OG1 3.22Å; L387-T390 PolarHBondContact O-OG1 2.72Å; T390-F393 PolarHBondContact O-N 2.94Å; T390-R394 WeakPolarHBondContact O-CB 3.28Å; T390-R394 PolarHBondContact O-N 3.15Å
391R69.1Low68Low172 Ų172103.2 Ų103.265%0.64951%0.506SS*.Hα-helixtrans-66.1-47173.8-173177.4179.61583.4112.1L387 A388 F389 F393 R394 E395L387-R391 VanDerWaalsContact O-CB 3.28Å; L387-R391 WeakPolarHBondContact O-CB 3.16Å; L387-R391 PolarHBondContact O-N 3.07Å; A388-R391 PolarHBondContact O-N 3.01Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.13Å; R391-F393 VanDerWaalsContact C-N 3.29Å; R391-F393 PolarHBondContact O-N 3.04Å; R391-R394 WeakPolarHBondContact O-CB 3.46Å; R391-R394 PolarHBondContact O-N 3.18Å; R391-R394 VanDerWaalsContact O-N 3.13Å; R391-E395 IonicContact NE-OE1 3.35Å; R391-E395 PolarHBondContact NE-OE1 3.38Å; R391-E395 WeakPolarHBondContact O-CG 3.19Å; R391-E395 PolarHBondContact O-N 3.37Å
392S70.9Confident68.7Low66 Ų66103.2 Ų103.246%0.46251%0.507SS..Hα-helixtrans-59.7-42.1175.4-170.60000111.3A388 F389 E395 E396A388-S392 WeakPolarHBondContact O-CB 3.28Å; A388-S392 PolarHBondContact O-N 2.89Å; F389-S392 PolarHBondContact O-N 3.16Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E396 PolarHBondContact O-N 2.96Å
393F71.1Confident69.6Low119 Ų119104.6 Ų104.652%0.52251%0.511SS..Hα-helixtrans-62.4-43.1175.1-128.5-88.1000111.2F389 T390 R391 E395 E396 L397F389-F393 AromaticContact CE1-CD2 3.79Å; F389-F393 HydrophobicContact CE1-CD2 3.79Å; F389-F393 HydrophobicContact CE1-CE2 4.12Å; F389-F393 HydrophobicContact CE2-CD2 4.13Å; F389-F393 HydrophobicContact CE2-CE2 4.35Å; F389-F393 AromaticContact CZ-CD2 3.58Å; F389-F393 HydrophobicContact CZ-CD2 3.58Å; F389-F393 AromaticContact CZ-CE2 3.63Å; F389-F393 HydrophobicContact CZ-CE2 3.63Å; F389-F393 WeakPolarHBondContact O-CB 3.45Å; F389-F393 PolarHBondContact O-N 2.95Å; T390-F393 PolarHBondContact O-N 2.94Å; R391-F393 VanDerWaalsContact C-N 3.29Å; R391-F393 PolarHBondContact O-N 3.04Å; F393-E395 PolarHBondContact O-N 3.31Å; F393-E396 PolarHBondContact O-N 3.02Å; F393-L397 HydrophobicContact CD1-CD1 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.09Å; F393-L397 PolarHBondContact O-N 3.26Å
394R72.9Confident70.2Confident195 Ų195104.5 Ų104.574%0.73651%0.511SS*.Hα-helixtrans-63.2-39.6177.8-177.2-177.2-105.2-179.6-4.5112.3T390 R391 L397 T398T390-R394 WeakPolarHBondContact O-CB 3.28Å; T390-R394 PolarHBondContact O-N 3.15Å; R391-R394 WeakPolarHBondContact O-CB 3.46Å; R391-R394 PolarHBondContact O-N 3.18Å; R391-R394 VanDerWaalsContact O-N 3.13Å; R394-L397 PolarHBondContact O-N 2.74Å; R394-T398 PolarHBondContact O-N 3.4Å; R394-T398 PolarHBondContact O-OG1 3.38Å
395E75.5Confident70.6Confident96 Ų96108 Ų10845%0.44951%0.511SS..Hα-helixtrans-66.4-44.7176.7-74.1173.1-166.300111.5R391 S392 F393 L397 T398 K399R391-E395 IonicContact NE-OE1 3.35Å; R391-E395 PolarHBondContact NE-OE1 3.38Å; R391-E395 WeakPolarHBondContact O-CG 3.19Å; R391-E395 PolarHBondContact O-N 3.37Å; S392-E395 PolarHBondContact O-N 3.23Å; F393-E395 PolarHBondContact O-N 3.31Å; E395-L397 PolarHBondContact O-N 2.66Å; E395-T398 VanDerWaalsContact CA-OG1 3.29Å; E395-T398 WeakPolarHBondContact CA-OG1 3.49Å; E395-T398 PolarHBondContact O-N 3.27Å; E395-T398 PolarHBondContact O-OG1 3.03Å; E395-K399 PolarHBondContact O-N 3.32Å
396E73.5Confident71.1Confident98 Ų98108 Ų10846%0.45851%0.509SS..Hα-helixtrans-66.4-37.4174.1-72.5-56.313400112.1S392 F393 T398 K399 M400S392-E396 PolarHBondContact O-N 2.96Å; F393-E396 PolarHBondContact O-N 3.02Å; E396-T398 VanDerWaalsContact C-N 3.31Å; E396-T398 PolarHBondContact O-N 3.32Å; E396-K399 PolarHBondContact O-N 3.19Å; E396-K399 IonicContact OE1-NZ 3.94Å; E396-K399 PolarHBondContact OE1-NZ 3.2Å; E396-M400 WeakPolarHBondContact O-CB 3.33Å; E396-M400 PolarHBondContact O-N 3.23Å
397L74.8Confident71.8Confident79 Ų79112.2 Ų112.241%0.41452%0.522SS..Hα-helixtrans-66.8-32.5175.9-142.7121.5000112.1F393 R394 E395 R401F393-L397 HydrophobicContact CD1-CD1 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.09Å; F393-L397 PolarHBondContact O-N 3.26Å; R394-L397 PolarHBondContact O-N 2.74Å; E395-L397 PolarHBondContact O-N 2.66Å; L397-R401 WeakPolarHBondContact O-CB 3.33Å; L397-R401 VanDerWaalsContact O-CG 3.24Å; L397-R401 WeakPolarHBondContact O-CG 3.32Å; L397-R401 PolarHBondContact O-N 2.93Å
398T75.8Confident72.6Confident77 Ų77113.5 Ų113.547%0.47252%0.523SS..Hα-helixtrans-73.9-39.3175.229.60000111.9R394 E395 E396 R401 S402R394-T398 PolarHBondContact O-N 3.4Å; R394-T398 PolarHBondContact O-OG1 3.38Å; E395-T398 VanDerWaalsContact CA-OG1 3.29Å; E395-T398 WeakPolarHBondContact CA-OG1 3.49Å; E395-T398 PolarHBondContact O-N 3.27Å; E395-T398 PolarHBondContact O-OG1 3.03Å; E396-T398 VanDerWaalsContact C-N 3.31Å; E396-T398 PolarHBondContact O-N 3.32Å; T398-R401 PolarHBondContact O-N 3.05Å; T398-S402 PolarHBondContact O-N 3.4Å; T398-S402 PolarHBondContact O-OG 3.17Å
399K76Confident73.3Confident113 Ų113118 Ų11849%0.49154%0.539SS..Hα-helixtrans-61.2-46.6169.4-73.6179.8-169.7162.50112.1E395 E396 R401 S402 I403E395-K399 PolarHBondContact O-N 3.32Å; E396-K399 PolarHBondContact O-N 3.19Å; E396-K399 IonicContact OE1-NZ 3.94Å; E396-K399 PolarHBondContact OE1-NZ 3.2Å; K399-R401 VanDerWaalsContact C-N 3.31Å; K399-R401 PolarHBondContact O-N 3.47Å; K399-S402 WeakPolarHBondContact CA-OG 3.45Å; K399-S402 PolarHBondContact O-N 3.25Å; K399-S402 PolarHBondContact O-OG 2.99Å; K399-I403 WeakPolarHBondContact O-CB 3.02Å; K399-I403 VanDerWaalsContact O-CG1 3.31Å; K399-I403 WeakPolarHBondContact O-CG1 3.46Å; K399-I403 PolarHBondContact O-N 2.03Å
400M72Confident73.7Confident110 Ų110118.2 Ų118.254%0.54254%0.54SS..Hα-helixtrans-58-44.8174.5-95.5-92.5-89.500111E396 S402 I403 Y404E396-M400 WeakPolarHBondContact O-CB 3.33Å; E396-M400 PolarHBondContact O-N 3.23Å; M400-S402 PolarHBondContact O-N 3.48Å; M400-I403 PolarHBondContact O-N 3.37Å; M400-Y404 HydrophobicContact CE-CE2 4.37Å; M400-Y404 WeakPolarHBondContact O-CB 3.25Å; M400-Y404 WeakPolarHBondContact O-CD2 3.29Å; M400-Y404 PolarHBondContact O-N 3.31Å; M400-Y404 HydrophobicContact SD-CD2 4.32Å; M400-Y404 HydrophobicContact SD-CE2 4.11Å
401R74.7Confident74Confident164 Ų164116.2 Ų116.262%0.61953%0.531SS*.Hα-helixtrans-62.8-39.4175.2-80.2175.5176.7179.60.6112.9L397 T398 K399 R405L397-R401 WeakPolarHBondContact O-CB 3.33Å; L397-R401 VanDerWaalsContact O-CG 3.24Å; L397-R401 WeakPolarHBondContact O-CG 3.32Å; L397-R401 PolarHBondContact O-N 2.93Å; T398-R401 PolarHBondContact O-N 3.05Å; K399-R401 VanDerWaalsContact C-N 3.31Å; K399-R401 PolarHBondContact O-N 3.47Å; R401-R405 VanDerWaalsContact O-CB 3.25Å; R401-R405 WeakPolarHBondContact O-CB 3.5Å; R401-R405 PolarHBondContact O-N 3Å
402S76.4Confident74.1Confident57 Ų57112.4 Ų112.440%0.39952%0.521SS..Hα-helixtrans-67.4-41.3176.6580000111.6T398 K399 M400 R405 I406T398-S402 PolarHBondContact O-N 3.4Å; T398-S402 PolarHBondContact O-OG 3.17Å; K399-S402 WeakPolarHBondContact CA-OG 3.45Å; K399-S402 PolarHBondContact O-N 3.25Å; K399-S402 PolarHBondContact O-OG 2.99Å; M400-S402 PolarHBondContact O-N 3.48Å; S402-R405 PolarHBondContact O-N 3.47Å; S402-I406 VanDerWaalsContact O-CG1 3.28Å; S402-I406 WeakPolarHBondContact O-CG1 3.46Å; S402-I406 PolarHBondContact O-N 2.89Å
403I76.4Confident73.9Confident86 Ų86115 Ų11544%0.44153%0.526SS..Hα-helixtrans-61.9-48.9174.9-69.6167.7000110K399 M400 R405 I406 H407K399-I403 WeakPolarHBondContact O-CB 3.02Å; K399-I403 VanDerWaalsContact O-CG1 3.31Å; K399-I403 WeakPolarHBondContact O-CG1 3.46Å; K399-I403 PolarHBondContact O-N 2.03Å; M400-I403 PolarHBondContact O-N 3.37Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.38Å; I403-I406 PolarHBondContact O-N 3.01Å; I403-H407 PolarHBondContact O-CD2 2.77Å; I403-H407 PolarHBondContact O-N 2.98Å
404Y71.2Confident73.9Confident162 Ų162115.6 Ų115.664%0.63553%0.528SS*.Hα-helixtrans-60.3-38.8175.3-99.3-85.5000112.4M400 H407 F408M400-Y404 HydrophobicContact CE-CE2 4.37Å; M400-Y404 WeakPolarHBondContact O-CB 3.25Å; M400-Y404 WeakPolarHBondContact O-CD2 3.29Å; M400-Y404 PolarHBondContact O-N 3.31Å; M400-Y404 HydrophobicContact SD-CD2 4.32Å; M400-Y404 HydrophobicContact SD-CE2 4.11Å; Y404-H407 PolarHBondContact O-N 3.29Å; Y404-F408 WeakPolarHBondContact O-CB 3.48Å; Y404-F408 PolarHBondContact O-N 3.49Å
405R75.5Confident73.3Confident194 Ų194112.7 Ų112.773%0.73252%0.521SS*.Hα-helixtrans-65.8-39.8177.3-161.6-174.9-70.8-176.8-4.2111.2R401 S402 I403 H409R401-R405 VanDerWaalsContact O-CB 3.25Å; R401-R405 WeakPolarHBondContact O-CB 3.5Å; R401-R405 PolarHBondContact O-N 3Å; S402-R405 PolarHBondContact O-N 3.47Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.38Å; R405-H409 VanDerWaalsContact O-CB 3.28Å; R405-H409 WeakPolarHBondContact O-CB 3.2Å; R405-H409 PolarHBondContact O-N 3.38Å
406I75.2Confident72.5Confident99 Ų99113.5 Ų113.551%0.50853%0.528SS..Hα-helixtrans-64.7-48174-67.4163.7000110.6S402 I403 F408 H409 K410S402-I406 VanDerWaalsContact O-CG1 3.28Å; S402-I406 WeakPolarHBondContact O-CG1 3.46Å; S402-I406 PolarHBondContact O-N 2.89Å; I403-I406 PolarHBondContact O-N 3.01Å; I406-F408 PolarHBondContact O-N 3.35Å; I406-H409 PolarHBondContact O-N 2.83Å; I406-K410 WeakPolarHBondContact O-CB 3.41Å; I406-K410 PolarHBondContact O-N 3.42Å
407H75.6Confident71.6Confident118 Ų118115.6 Ų115.655%0.54654%0.542SS..Hα-helixtrans-64.7-39.4178.1-79.9-69.5000112.4I403 Y404 K410 A411I403-H407 PolarHBondContact O-CD2 2.77Å; I403-H407 PolarHBondContact O-N 2.98Å; Y404-H407 PolarHBondContact O-N 3.29Å; H407-K410 PolarHBondContact O-N 3.32Å; H407-A411 VanDerWaalsContact O-CB 3.3Å; H407-A411 WeakPolarHBondContact O-CB 3.48Å; H407-A411 PolarHBondContact O-N 3.28Å
408F76.9Confident70.3Confident131 Ų131121.4 Ų121.458%0.57556%0.559SS**Hα-helixtrans-65.1-43175.6-173.9-97000111.3Y404 I406 A411 Q412Y404-F408 WeakPolarHBondContact O-CB 3.48Å; Y404-F408 PolarHBondContact O-N 3.49Å; I406-F408 PolarHBondContact O-N 3.35Å; F408-A411 PolarHBondContact O-N 3.4Å; F408-Q412 HydrophobicContact CD1-CG 4.17Å; F408-Q412 HydrophobicContact CE1-CG 3.8Å; F408-Q412 HydrophobicContact CZ-CG 4.09Å; F408-Q412 WeakPolarHBondContact O-CB 3.21Å; F408-Q412 PolarHBondContact O-N 3.25Å
409H74.6Confident69Low121 Ų121121.5 Ų121.556%0.5656%0.562SS**Hα-helixtrans-64.6-41.3175.6-161-79.1000111.7R405 I406 Q412 H413R405-H409 VanDerWaalsContact O-CB 3.28Å; R405-H409 WeakPolarHBondContact O-CB 3.2Å; R405-H409 PolarHBondContact O-N 3.38Å; I406-H409 PolarHBondContact O-N 2.83Å; H409-Q412 PolarHBondContact O-N 3.22Å; H409-H413 WeakPolarHBondContact O-CB 3.47Å; H409-H413 PolarHBondContact O-N 3.33Å
410K73.3Confident67.2Low146 Ų146119.5 Ų119.564%0.63557%0.573SS**Hα-helixtrans-62.2-42.3172.3-79.2-173.6175.4-173.90112I406 H407 H413 F414I406-K410 WeakPolarHBondContact O-CB 3.41Å; I406-K410 PolarHBondContact O-N 3.42Å; H407-K410 PolarHBondContact O-N 3.32Å; K410-H413 PolarHBondContact O-N 2.95Å; K410-F414 WeakPolarHBondContact O-CB 3.39Å; K410-F414 PolarHBondContact O-N 3.19Å
411A71.9Confident65.5Low38 Ų38118 Ų11831%0.31459%0.587SS.*Hα-helixtrans-66.3-44.5177.400000111.5H407 F408 H413 F414 F415H407-A411 VanDerWaalsContact O-CB 3.3Å; H407-A411 WeakPolarHBondContact O-CB 3.48Å; H407-A411 PolarHBondContact O-N 3.28Å; F408-A411 PolarHBondContact O-N 3.4Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 3.36Å; A411-F414 CarbonylContact O-C 3.46Å; A411-F414 WeakPolarHBondContact O-CB 2.87Å; A411-F414 PolarHBondContact O-N 3.23Å; A411-F415 HydrophobicContact CB-CD2 4.44Å; A411-F415 WeakPolarHBondContact O-CB 3.19Å; A411-F415 WeakPolarHBondContact O-CD2 3.36Å; A411-F415 PolarHBondContact O-N 3.28Å
412Q71.8Confident63.4Low91 Ų91121 Ų12143%0.42560%0.598SS.*Hα-helixtrans-59.8-44.7173.9-81.5-171.6-61.400111.5F408 H409 F414 F415 L416F408-Q412 HydrophobicContact CD1-CG 4.17Å; F408-Q412 HydrophobicContact CE1-CG 3.8Å; F408-Q412 HydrophobicContact CZ-CG 4.09Å; F408-Q412 WeakPolarHBondContact O-CB 3.21Å; F408-Q412 PolarHBondContact O-N 3.25Å; H409-Q412 PolarHBondContact O-N 3.22Å; Q412-F414 VanDerWaalsContact C-N 3.31Å; Q412-F414 PolarHBondContact O-N 3.33Å; Q412-F415 PolarHBondContact O-N 3.13Å; Q412-L416 VanDerWaalsContact O-CB 3.25Å; Q412-L416 WeakPolarHBondContact O-CB 3.47Å; Q412-L416 VanDerWaalsContact O-CG 3.22Å; Q412-L416 WeakPolarHBondContact O-CG 3.07Å; Q412-L416 PolarHBondContact O-N 2.94Å
413H67.9Low61.1Low122 Ų122129.7 Ų129.757%0.56562%0.622SS**Hα-helixtrans-60.5-43.2175.9-148.6-82.2000110.9H409 K410 A411 L416 D417H409-H413 WeakPolarHBondContact O-CB 3.47Å; H409-H413 PolarHBondContact O-N 3.33Å; K410-H413 PolarHBondContact O-N 2.95Å; A411-H413 VanDerWaalsContact C-N 3.34Å; A411-H413 PolarHBondContact O-N 3.36Å; H413-L416 PolarHBondContact O-N 3.24Å; H413-D417 VanDerWaalsContact O-CB 3.25Å; H413-D417 WeakPolarHBondContact O-CB 3.07Å; H413-D417 PolarHBondContact O-N 3.47Å
414F69.3Low59Low130 Ų130131.3 Ų131.357%0.5764%0.636SS**Hα-helixtrans-63.9-38.9175.6-176.7-99.2000113.5K410 A411 Q412 R418K410-F414 WeakPolarHBondContact O-CB 3.39Å; K410-F414 PolarHBondContact O-N 3.19Å; A411-F414 CarbonylContact O-C 3.46Å; A411-F414 WeakPolarHBondContact O-CB 2.87Å; A411-F414 PolarHBondContact O-N 3.23Å; Q412-F414 VanDerWaalsContact C-N 3.31Å; Q412-F414 PolarHBondContact O-N 3.33Å; F414-R418 PolarHBondContact O-N 2.66Å
415F60.6Low56.9Low135 Ų135129 Ų12959%0.59264%0.639SS**Hα-helixtrans-77.1-34.2178-80.7-68.2000113A411 Q412 R418 S419A411-F415 HydrophobicContact CB-CD2 4.44Å; A411-F415 WeakPolarHBondContact O-CB 3.19Å; A411-F415 WeakPolarHBondContact O-CD2 3.36Å; A411-F415 PolarHBondContact O-N 3.28Å; Q412-F415 PolarHBondContact O-N 3.13Å; F415-R418 PolarHBondContact O-N 3.34Å; F415-S419 WeakPolarHBondContact O-CB 3.5Å; F415-S419 PolarHBondContact O-N 2.97Å; F415-S419 PolarHBondContact O-OG 2.94Å
416L59.3Low54.9Low113 Ų113125 Ų12559%0.59264%0.636SS**Hα-helixtrans-69.4-41.1175.2-74.6166.7000111.1Q412 H413 R418 S419 G420Q412-L416 VanDerWaalsContact O-CB 3.25Å; Q412-L416 WeakPolarHBondContact O-CB 3.47Å; Q412-L416 VanDerWaalsContact O-CG 3.22Å; Q412-L416 WeakPolarHBondContact O-CG 3.07Å; Q412-L416 PolarHBondContact O-N 2.94Å; H413-L416 PolarHBondContact O-N 3.24Å; L416-R418 PolarHBondContact O-N 2.99Å; L416-S419 PolarHBondContact O-N 3.43Å; L416-S419 VanDerWaalsContact O-N 3.16Å; L416-G420 PolarHBondContact O-N 3.11Å; L416-G420 VanDerWaalsContact O-N 3.11Å
417D54.1Low52.7Low142 Ų142125.9 Ų125.976%0.75965%0.646SS**Hα-helixtrans-63.3-28.8175-152.520.7000111.6H413H413-D417 VanDerWaalsContact O-CB 3.25Å; H413-D417 WeakPolarHBondContact O-CB 3.07Å; H413-D417 PolarHBondContact O-N 3.47Å
418R47.8Very low50.4Low201 Ų201128.8 Ų128.876%0.75866%0.659SS**Hα-helixtrans-86.7-17.8176.3-150174.7179161.90.8114.8F414 F415 L416F414-R418 PolarHBondContact O-N 2.66Å; F415-R418 PolarHBondContact O-N 3.34Å; L416-R418 PolarHBondContact O-N 2.99Å
419S48.7Very low48.1Very low79 Ų79130.6 Ų130.655%0.55267%0.669SS**Hα-helixtrans-111.7-1.4-174.955.90000115.3F415 L416 G421F415-S419 WeakPolarHBondContact O-CB 3.5Å; F415-S419 PolarHBondContact O-N 2.97Å; F415-S419 PolarHBondContact O-OG 2.94Å; L416-S419 PolarHBondContact O-N 3.43Å; L416-S419 VanDerWaalsContact O-N 3.16Å; S419-G421 VanDerWaalsContact C-N 3.34Å; S419-G421 PolarHBondContact O-N 3.23Å
420G38.4Very low46Very low70 Ų70132.4 Ų132.472%0.72268%0.678SS**THydrogen-bonded Turntrans-80.37.5179.500000117.6L416L416-G420 PolarHBondContact O-N 3.11Å; L416-G420 VanDerWaalsContact O-N 3.11Å
421G35.8Very low44.1Very low80 Ų80133.6 Ų133.683%0.82569%0.691SS**THydrogen-bonded Turntrans-86-2.5-179.100000116.4S419S419-G421 VanDerWaalsContact C-N 3.34Å; S419-G421 PolarHBondContact O-N 3.23Å
422R30.3Very low42.1Very low227 Ų227139.3 Ų139.386%0.85772%0.715SS**  trans-118.599.3179.8-97.8179.7-178.4170.61112V424R422-V424 PolarHBondContact O-N 3.08Å
423R28.3Very low40.2Very low238 Ų238139.9 Ų139.990%0.89873%0.729SS**  trans-48.4108.5155.9-70.2177.8-166.11753.7108.8V425R423-V425 HydrophobicContact CB-CG2 4.4Å
424V31.9Very low38.6Very low121 Ų121143.7 Ų143.773%0.73374%0.744SS**  trans-95.198.8154.8179.10000105.8R422 T426R422-V424 PolarHBondContact O-N 3.08Å; V424-T426 HydrophobicContact CG1-CG2 4.35Å; V424-T426 PolarHBondContact O-N 3.21Å
425V28.5Very low36.7Very low114 Ų114145.4 Ų145.469%0.69176%0.759SS**  trans-73.1108.4167.5174.10000106.9R423R423-V425 HydrophobicContact CB-CG2 4.4Å
426T32Very low35.4Very low109 Ų109151.7 Ų151.767%0.66979%0.79SS**  trans-143.783.4157.648.90000106.6V424V424-T426 HydrophobicContact CG1-CG2 4.35Å; V424-T426 PolarHBondContact O-N 3.21Å
427T29Very low34.3Very low117 Ų117153.6 Ų153.672%0.71880%0.8SS**  55.799.5105.1550000114.2
428H27.7Very low33.2Very low180 Ų180154.2 Ų154.283%0.83380%0.802SS**  trans12.3121.3131.3-89.6-88.1000117.4
429Q30Very low32.4Very low169 Ų169151.6 Ų151.679%0.7981%0.805SS**  -170.2108.2119.7-140.6129.5-24.800107.3
430E28.6Very low31.4Very low159 Ų159155.9 Ų155.974%0.74382%0.819SS**  48.2106.7107.7-71.9-176.215600114.2
431D34.5Very low31Very low171 Ų171161.3 Ų161.391%0.91483%0.826SS**  trans-148.390.2138-96-30.1000108.5
432I30.8Very low30.7Very low158 Ų158166.7 Ų166.781%0.8183%0.826SS**  trans-95.7133.8159.5-71.6174.3000106.8
433S30.4Very low30.7Very low103 Ų103162.4 Ų162.472%0.7282%0.823SS**  trans80.5116.6165.980.80000117.6
434K34.4Very low30.9Very low202 Ų202156.5 Ų156.588%0.87882%0.818SS**  -159.7125.7107.7-100.3169.3-173.7-177.80110.2
435N29.2Very low30.8Very low165 Ų165159.5 Ų159.588%0.88283%0.825SS**  trans-58.1131.3156.3-80.2-18.9000108.9
436E34.9Very low31Very low267 Ų267163.6 Ų163.6100%1.24884%0.837SS**  -159.80121.7-104.8177-177.700109.3

Retrieved 436 of 436 residues in 138.6 ms (Link to these results)

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