A0A096MGH2_POEFO Loading...

Solute carrier family 5 member 5

AlphaFold DB , UniProt , Accession A0A096MGH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 347 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.5Very low58.7Low178 Ų17894.3 Ų94.388%0.87750%0.499SS*.  0-49.60-77.3-16793.300113.1T3 T4 L5M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.21Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 2.89Å; M1-T4 PolarHBondContact O-OG1 3.09Å; M1-L5 HydrophobicContact CE-CD1 4.44Å; M1-L5 PolarHBondContact O-N 3.32Å
2Y46.5Very low60.1Low110 Ų11094 Ų9443%0.43150%0.497SS..Hα-helixtrans-56.5-46.1178.9179.9-106.9000113T4 L5 G6 A10 V11 T14Y2-T4 VanDerWaalsContact C-N 3.27Å; Y2-T4 PolarHBondContact O-N 3.2Å; Y2-L5 PolarHBondContact O-N 3.49Å; Y2-G6 PolarHBondContact O-N 3.05Å; Y2-G6 VanDerWaalsContact O-N 3.08Å; Y2-A10 PolarHBondContact OH-O 3.28Å; Y2-V11 HydrophobicContact CD1-CG2 4.31Å; Y2-V11 HydrophobicContact CE1-CB 4.19Å; Y2-V11 HydrophobicContact CE1-CG1 4.32Å; Y2-V11 HydrophobicContact CE1-CG2 3.63Å; Y2-V11 VanDerWaalsContact OH-CA 3.3Å; Y2-V11 WeakPolarHBondContact OH-CA 3.4Å; Y2-V11 PolarHBondContact OH-N 3.18Å; Y2-T14 WeakPolarHBondContact OH-CG2 3.5Å; Y2-T14 PolarHBondContact OH-OG1 3.49Å
3T52.9Low61.6Low44 Ų44101.6 Ų101.627%0.2752%0.515SS..Hα-helixtrans-59.2-32.5177-34.90000114.4M1 S180 N184M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.21Å; T3-S180 WeakPolarHBondContact CB-OG 3.45Å; T3-S180 WeakPolarHBondContact CG2-OG 3.48Å; T3-S180 PolarHBondContact OG1-OG 2.89Å; T3-N184 WeakPolarHBondContact CG2-ND2 3.21Å; T3-N184 WeakPolarHBondContact CG2-OD1 3.49Å
4T54.2Low62.9Low75 Ų7597.9 Ų97.946%0.4650%0.5SS..Hα-helixtrans-88.5-16.1-17447.90000113.5M1 Y2M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 2.89Å; M1-T4 PolarHBondContact O-OG1 3.09Å; Y2-T4 VanDerWaalsContact C-N 3.27Å; Y2-T4 PolarHBondContact O-N 3.2Å
5L50.8Low64.1Low138 Ų13893.4 Ų93.472%0.72348%0.477SS*.Hα-helixtrans-116.1-34.1-172.3-69.7167.9000113.6M1 Y2M1-L5 HydrophobicContact CE-CD1 4.44Å; M1-L5 PolarHBondContact O-N 3.32Å; Y2-L5 PolarHBondContact O-N 3.49Å
6G57.9Low65.4Low35 Ų3592.1 Ų92.136%0.36148%0.475SS..SBendtrans-84.7-19.5-172.500000115.9Y2 A10Y2-G6 PolarHBondContact O-N 3.05Å; Y2-G6 VanDerWaalsContact O-N 3.08Å; G6-A10 WeakPolarHBondContact O-CB 3.35Å
7G64.5Low66.6Low39 Ų3994.8 Ų94.840%0.40248%0.482SS..Hα-helixtrans67.5162.1-17200000113.4R9 A10 V11G7-R9 PolarHBondContact O-N 3.11Å; G7-R9 VanDerWaalsContact O-N 3.15Å; G7-A10 PolarHBondContact O-N 3.42Å; G7-V11 WeakPolarHBondContact O-CG2 3.42Å; G7-V11 PolarHBondContact O-N 3.41Å
8M63.8Low67.7Low140 Ų14090.5 Ų90.569%0.6946%0.46SS*.Hα-helixtrans-59.1-31.2-172.3-169-178.3-71.200113.6I12M8-I12 HydrophobicContact CG-CD1 4.13Å; M8-I12 WeakPolarHBondContact O-CD1 3.31Å; M8-I12 VanDerWaalsContact O-CG1 3.24Å; M8-I12 WeakPolarHBondContact O-CG1 3.45Å; M8-I12 PolarHBondContact O-N 2.96Å; M8-I12 VanDerWaalsContact O-N 3.16Å
9R67.6Low68.7Low214 Ų21489.6 Ų89.681%0.80846%0.456SS*.Hα-helixtrans-70.1-39.4-179.9-71.6-173.7178.9-177.31113.7G7 V11 I12 W13G7-R9 PolarHBondContact O-N 3.11Å; G7-R9 VanDerWaalsContact O-N 3.15Å; R9-V11 VanDerWaalsContact C-N 3.33Å; R9-I12 PolarHBondContact O-N 3.46Å; R9-W13 PolarHBondContact O-N 3.22Å
10A69.8Low69.8Low38 Ų3889.7 Ų89.731%0.31446%0.461SS..Hα-helixtrans-67.2-40.3178.400000110.7Y2 G6 G7 I12 W13 T14Y2-A10 PolarHBondContact OH-O 3.28Å; G6-A10 WeakPolarHBondContact O-CB 3.35Å; G7-A10 PolarHBondContact O-N 3.42Å; A10-I12 VanDerWaalsContact C-N 3.33Å; A10-I12 PolarHBondContact O-N 3.23Å; A10-W13 PolarHBondContact O-N 2.74Å; A10-T14 PolarHBondContact O-N 3.27Å; A10-T14 PolarHBondContact O-OG1 3.47Å
11V68.4Low70.7Confident26 Ų2686.2 Ų86.216%0.15844%0.444CS..Hα-helixtrans-57.7-46.2175.5-178.30000110.9Y2 G7 R9 W13 T14 D15Y2-V11 HydrophobicContact CD1-CG2 4.31Å; Y2-V11 HydrophobicContact CE1-CB 4.19Å; Y2-V11 HydrophobicContact CE1-CG1 4.32Å; Y2-V11 HydrophobicContact CE1-CG2 3.63Å; Y2-V11 VanDerWaalsContact OH-CA 3.3Å; Y2-V11 WeakPolarHBondContact OH-CA 3.4Å; Y2-V11 PolarHBondContact OH-N 3.18Å; G7-V11 WeakPolarHBondContact O-CG2 3.42Å; G7-V11 PolarHBondContact O-N 3.41Å; R9-V11 VanDerWaalsContact C-N 3.33Å; V11-W13 VanDerWaalsContact C-N 3.34Å; V11-W13 PolarHBondContact O-N 2.96Å; V11-T14 PolarHBondContact O-N 2.99Å; V11-T14 PolarHBondContact O-OG1 2.98Å; V11-D15 PolarHBondContact O-N 3.01Å
12I75.8Confident72.7Confident91 Ų9179.7 Ų79.747%0.46741%0.411SS..Hα-helixtrans-61.2-43.4178.8-68162.8000111.2M8 R9 A10 D15 V16M8-I12 HydrophobicContact CG-CD1 4.13Å; M8-I12 WeakPolarHBondContact O-CD1 3.31Å; M8-I12 VanDerWaalsContact O-CG1 3.24Å; M8-I12 WeakPolarHBondContact O-CG1 3.45Å; M8-I12 PolarHBondContact O-N 2.96Å; M8-I12 VanDerWaalsContact O-N 3.16Å; R9-I12 PolarHBondContact O-N 3.46Å; A10-I12 VanDerWaalsContact C-N 3.33Å; A10-I12 PolarHBondContact O-N 3.23Å; I12-D15 PolarHBondContact O-N 3.41Å; I12-V16 WeakPolarHBondContact O-CG2 3.38Å; I12-V16 PolarHBondContact O-N 3.26Å
13W78.8Confident74.8Confident193 Ų19376.7 Ų76.773%0.73140%0.403SS*.Hα-helixtrans-67.2-37.1179.7-88106.3000113.1R9 A10 V11 D15 V16 F17R9-W13 PolarHBondContact O-N 3.22Å; A10-W13 PolarHBondContact O-N 2.74Å; V11-W13 VanDerWaalsContact C-N 3.34Å; V11-W13 PolarHBondContact O-N 2.96Å; W13-D15 VanDerWaalsContact C-N 3.35Å; W13-V16 PolarHBondContact O-N 2.91Å; W13-F17 PolarHBondContact O-N 3.29Å; W13-F17 VanDerWaalsContact O-N 3.07Å
14T80Confident76.7Confident50 Ų5077.6 Ų77.631%0.30741%0.411SS..Hα-helixtrans-67.2-37.8173.952.90000112Y2 A10 V11 V16 F17 Q18Y2-T14 WeakPolarHBondContact OH-CG2 3.5Å; Y2-T14 PolarHBondContact OH-OG1 3.49Å; A10-T14 PolarHBondContact O-N 3.27Å; A10-T14 PolarHBondContact O-OG1 3.47Å; V11-T14 PolarHBondContact O-N 2.99Å; V11-T14 PolarHBondContact O-OG1 2.98Å; T14-V16 VanDerWaalsContact C-N 3.34Å; T14-V16 PolarHBondContact O-N 3.41Å; T14-F17 PolarHBondContact O-N 3.08Å; T14-Q18 VanDerWaalsContact O-CB 3.25Å; T14-Q18 WeakPolarHBondContact O-CB 3.47Å; T14-Q18 PolarHBondContact O-N 2.71Å
15D81.2Confident78.6Confident30 Ų3074.3 Ų74.316%0.1639%0.391CS..Hα-helixtrans-62.6-42.8176.3-69.9-12.6000111.1V11 I12 W13 Q18 I19 S177V11-D15 PolarHBondContact O-N 3.01Å; I12-D15 PolarHBondContact O-N 3.41Å; W13-D15 VanDerWaalsContact C-N 3.35Å; D15-Q18 PolarHBondContact O-N 3.43Å; D15-I19 WeakPolarHBondContact O-CG1 3.34Å; D15-I19 PolarHBondContact O-N 3.47Å; D15-S177 WeakPolarHBondContact OD1-CB 3.35Å; D15-S177 PolarHBondContact OD1-OG 3.34Å; D15-S177 PolarHBondContact OD2-OG 2.92Å
16V84.4Confident80.7Confident72 Ų7268.6 Ų68.644%0.43636%0.361SS..Hα-helixtrans-61.2-49176.3171.50000111.1I12 W13 T14 Q18 I19 V20I12-V16 WeakPolarHBondContact O-CG2 3.38Å; I12-V16 PolarHBondContact O-N 3.26Å; W13-V16 PolarHBondContact O-N 2.91Å; T14-V16 VanDerWaalsContact C-N 3.34Å; T14-V16 PolarHBondContact O-N 3.41Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.13Å; V16-I19 PolarHBondContact O-N 2.86Å; V16-V20 PolarHBondContact O-N 3.44Å
17F85.9Confident82.5Confident138 Ų13870.8 Ų70.861%0.60537%0.367SS*.Hα-helixtrans-59.1-43.6177.3177-103.1000111.5W13 T14 I19 V20 V21W13-F17 PolarHBondContact O-N 3.29Å; W13-F17 VanDerWaalsContact O-N 3.07Å; T14-F17 PolarHBondContact O-N 3.08Å; F17-I19 PolarHBondContact O-N 2.92Å; F17-V20 PolarHBondContact O-N 3.26Å; F17-V21 HydrophobicContact CD1-CG2 4.18Å; F17-V21 HydrophobicContact CD2-CG2 4.44Å; F17-V21 HydrophobicContact CE1-CG2 3.69Å; F17-V21 HydrophobicContact CE2-CG2 3.98Å; F17-V21 HydrophobicContact CZ-CG2 3.58Å; F17-V21 WeakPolarHBondContact O-CG2 3.44Å; F17-V21 PolarHBondContact O-N 3.04Å
18Q86.8Confident83.9Confident18 Ų1870.2 Ų70.28%0.08436%0.359CS..Hα-helixtrans-63.4-38.9-179.4-171.4-160.4-68.700112.8T14 D15 V16 V20 V21 M22 S173T14-Q18 VanDerWaalsContact O-CB 3.25Å; T14-Q18 WeakPolarHBondContact O-CB 3.47Å; T14-Q18 PolarHBondContact O-N 2.71Å; D15-Q18 PolarHBondContact O-N 3.43Å; V16-Q18 VanDerWaalsContact C-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.13Å; Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.22Å; Q18-V21 PolarHBondContact O-N 3.32Å; Q18-M22 VanDerWaalsContact O-CB 3.24Å; Q18-M22 WeakPolarHBondContact O-CB 3.42Å; Q18-M22 PolarHBondContact O-N 2.92Å; Q18-S173 VanDerWaalsContact OE1-CB 3.31Å; Q18-S173 PolarHBondContact OE1-O 3.43Å; Q18-S173 PolarHBondContact OE1-OG 3.39Å
19I86.9Confident85.4Confident73 Ų7363.6 Ų63.637%0.37433%0.326SS..Hα-helixtrans-60.2-44.3175.5-70.6165000110.6D15 V16 F17 M22 L23 I116D15-I19 WeakPolarHBondContact O-CG1 3.34Å; D15-I19 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 2.86Å; F17-I19 PolarHBondContact O-N 2.92Å; I19-M22 PolarHBondContact O-N 3.12Å; I19-L23 HydrophobicContact CG2-CD1 3.98Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.17Å; I19-I116 HydrophobicContact CG2-CD1 4.48Å
20V90.1Very high86.8Confident92 Ų9257.3 Ų57.356%0.55831%0.305SS*.Hα-helixtrans-61.9-48.2179175.30000110.8V16 F17 Q18 M22 L23 S24V16-V20 PolarHBondContact O-N 3.44Å; F17-V20 PolarHBondContact O-N 3.26Å; Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.22Å; V20-M22 PolarHBondContact O-N 3.36Å; V20-L23 PolarHBondContact O-N 2.79Å; V20-S24 WeakPolarHBondContact O-CB 3.35Å; V20-S24 PolarHBondContact O-N 3.04Å; V20-S24 PolarHBondContact O-OG 2.73Å
21V90.1Very high88Confident17 Ų1759.7 Ų59.710%0.10331%0.311CS..Hα-helixtrans-65.5-41.3-179.9-176.10000111F17 Q18 S24 G25 L166 C170F17-V21 HydrophobicContact CD1-CG2 4.18Å; F17-V21 HydrophobicContact CD2-CG2 4.44Å; F17-V21 HydrophobicContact CE1-CG2 3.69Å; F17-V21 HydrophobicContact CE2-CG2 3.98Å; F17-V21 HydrophobicContact CZ-CG2 3.58Å; F17-V21 WeakPolarHBondContact O-CG2 3.44Å; F17-V21 PolarHBondContact O-N 3.04Å; Q18-V21 PolarHBondContact O-N 3.32Å; V21-S24 WeakPolarHBondContact CA-OG 3.36Å; V21-S24 PolarHBondContact O-N 3.15Å; V21-S24 PolarHBondContact O-OG 3.29Å; V21-G25 PolarHBondContact O-N 2.93Å; V21-L166 HydrophobicContact CG1-CD1 4.16Å; V21-L166 HydrophobicContact CG1-CD2 4.03Å; V21-L166 HydrophobicContact CG1-CG 3.94Å; V21-C170 VanDerWaalsContact CB-SG 3.59Å; V21-C170 HydrophobicContact CG1-CB 4.38Å; V21-C170 WeakPolarHBondContact CG1-SG 3.29Å
22M89.8Confident89.3Confident40 Ų4060.8 Ų60.820%0.19732%0.315CS..Hα-helixtrans-63-44.8179-173.7173.166.200112.3Q18 I19 V20 G25 F26 I116Q18-M22 VanDerWaalsContact O-CB 3.24Å; Q18-M22 WeakPolarHBondContact O-CB 3.42Å; Q18-M22 PolarHBondContact O-N 2.92Å; I19-M22 PolarHBondContact O-N 3.12Å; V20-M22 PolarHBondContact O-N 3.36Å; M22-G25 PolarHBondContact O-N 3.47Å; M22-F26 HydrophobicContact CG-CD2 4.16Å; M22-F26 HydrophobicContact CG-CE2 3.64Å; M22-F26 HydrophobicContact CG-CZ 4.31Å; M22-F26 WeakPolarHBondContact O-CD2 3.29Å; M22-F26 PolarHBondContact O-N 2.94Å; M22-F26 HydrophobicContact SD-CE2 4.23Å; M22-I116 HydrophobicContact CE-CB 4.31Å; M22-I116 HydrophobicContact CE-CD1 3.42Å; M22-I116 VanDerWaalsContact CE-CD1 3.42Å; M22-I116 HydrophobicContact CE-CG1 3.7Å; M22-I116 HydrophobicContact CE-CG2 3.61Å
23L91.9Very high90.2Very high48 Ų4856.4 Ų56.425%0.25129%0.292SS..Hα-helixtrans-63-42.8175.1-74.1172.9000111.7I19 V20 G25 F26 V27 I116I19-L23 HydrophobicContact CG2-CD1 3.98Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 2.79Å; L23-G25 PolarHBondContact O-N 3.36Å; L23-F26 PolarHBondContact O-N 3.41Å; L23-V27 WeakPolarHBondContact O-CG2 3.33Å; L23-V27 PolarHBondContact O-N 2.99Å; L23-I116 HydrophobicContact CD2-CG1 3.92Å; L23-I116 HydrophobicContact CG-CG1 4.42Å
24S93Very high91Very high63 Ų6347.7 Ų47.744%0.44126%0.261SS..Hα-helixtrans-61.2-36.717576.80000112.1V20 V21 V27 A28V20-S24 WeakPolarHBondContact O-CB 3.35Å; V20-S24 PolarHBondContact O-N 3.04Å; V20-S24 PolarHBondContact O-OG 2.73Å; V21-S24 WeakPolarHBondContact CA-OG 3.36Å; V21-S24 PolarHBondContact O-N 3.15Å; V21-S24 PolarHBondContact O-OG 3.29Å; S24-V27 PolarHBondContact O-N 3.37Å; S24-A28 WeakPolarHBondContact O-CB 3.39Å; S24-A28 PolarHBondContact O-N 3.26Å
25G93.3Very high91.7Very high5 Ų550.6 Ų50.65%0.05227%0.273CS..Hα-helixtrans-63.6-48.1175.900000112V21 M22 L23 V27 A28 I29V21-G25 PolarHBondContact O-N 2.93Å; M22-G25 PolarHBondContact O-N 3.47Å; L23-G25 PolarHBondContact O-N 3.36Å; G25-V27 VanDerWaalsContact C-N 3.35Å; G25-V27 PolarHBondContact O-N 3.13Å; G25-A28 PolarHBondContact O-N 3.19Å; G25-I29 WeakPolarHBondContact O-CB 3.4Å; G25-I29 WeakPolarHBondContact O-CD1 3.32Å; G25-I29 WeakPolarHBondContact O-CG1 3.42Å; G25-I29 PolarHBondContact O-N 2.98Å
26F94.4Very high92.4Very high18 Ų1853 Ų538%0.07929%0.285CS..Hα-helixtrans-61.4-41.4175.6-71.5-49.9000112.7M22 L23 A28 I29 F30 I116 A120 C123 F167M22-F26 HydrophobicContact CG-CD2 4.16Å; M22-F26 HydrophobicContact CG-CE2 3.64Å; M22-F26 HydrophobicContact CG-CZ 4.31Å; M22-F26 WeakPolarHBondContact O-CD2 3.29Å; M22-F26 PolarHBondContact O-N 2.94Å; M22-F26 HydrophobicContact SD-CE2 4.23Å; L23-F26 PolarHBondContact O-N 3.41Å; F26-A28 PolarHBondContact O-N 3.32Å; F26-I29 PolarHBondContact O-N 2.98Å; F26-F30 VanDerWaalsContact O-CB 3.3Å; F26-F30 WeakPolarHBondContact O-CB 3.33Å; F26-F30 PolarHBondContact O-N 2.98Å; F26-I116 HydrophobicContact CE2-CG2 4.24Å; F26-A120 HydrophobicContact CE1-CB 4.02Å; F26-A120 HydrophobicContact CE2-CB 4.39Å; F26-A120 HydrophobicContact CZ-CB 3.83Å; F26-C123 HydrophobicContact CD1-CB 4.41Å; F26-C123 PolarHBondContact O-SG 3.37Å; F26-C123 VanDerWaalsContact O-SG 3.39Å; F26-F167 HydrophobicContact CE1-CE2 4.41Å
27V95.3Very high92.8Very high81 Ų8150.7 Ų50.749%0.49127%0.271SS..Hα-helixtrans-61.3-45.3175.9171.70000111L23 S24 G25 F30 I31L23-V27 WeakPolarHBondContact O-CG2 3.33Å; L23-V27 PolarHBondContact O-N 2.99Å; S24-V27 PolarHBondContact O-N 3.37Å; G25-V27 VanDerWaalsContact C-N 3.35Å; G25-V27 PolarHBondContact O-N 3.13Å; V27-F30 PolarHBondContact O-N 2.91Å; V27-I31 HydrophobicContact CG1-CD1 3.75Å; V27-I31 HydrophobicContact CG1-CG1 4.48Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.36Å; V27-I31 PolarHBondContact O-N 2.95Å
28A95.1Very high93.2Very high28 Ų2847.1 Ų47.123%0.23127%0.274CS..Hα-helixtrans-64.5-43177.900000112.4S24 G25 F26 F30 I31 Q32 F157 F163S24-A28 WeakPolarHBondContact O-CB 3.39Å; S24-A28 PolarHBondContact O-N 3.26Å; G25-A28 PolarHBondContact O-N 3.19Å; F26-A28 PolarHBondContact O-N 3.32Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 2.63Å; A28-I31 PolarHBondContact O-N 3.41Å; A28-Q32 WeakPolarHBondContact O-CB 3.5Å; A28-Q32 PolarHBondContact O-N 3.3Å; A28-F157 HydrophobicContact CB-CZ 4.1Å; A28-F163 HydrophobicContact CB-CE2 3.51Å; A28-F163 HydrophobicContact CB-CZ 3.53Å
29I95.4Very high93.5Very high0 Ų047.1 Ų47.10%028%0.278CS..Hα-helixtrans-59.7-45.8174.8-69163.3000110.5G25 F26 G33 C123 F152 V153 I156 F157 F163 F167G25-I29 WeakPolarHBondContact O-CB 3.4Å; G25-I29 WeakPolarHBondContact O-CD1 3.32Å; G25-I29 WeakPolarHBondContact O-CG1 3.42Å; G25-I29 PolarHBondContact O-N 2.98Å; F26-I29 PolarHBondContact O-N 2.98Å; I29-G33 WeakPolarHBondContact O-CA 3.34Å; I29-G33 PolarHBondContact O-N 2.84Å; I29-C123 HydrophobicContact CG2-CB 4.08Å; I29-F152 HydrophobicContact CG2-CD1 4.07Å; I29-F152 HydrophobicContact CG2-CE1 3.67Å; I29-V153 HydrophobicContact CD1-CG2 3.45Å; I29-V153 VanDerWaalsContact CD1-CG2 3.45Å; I29-V153 HydrophobicContact CG1-CG2 3.91Å; I29-I156 HydrophobicContact CG2-CD1 4.1Å; I29-F157 HydrophobicContact CG1-CE2 3.99Å; I29-F163 HydrophobicContact CG1-CE1 4.19Å; I29-F163 HydrophobicContact CG1-CZ 4.39Å; I29-F167 HydrophobicContact CD1-CD2 3.81Å; I29-F167 HydrophobicContact CD1-CE2 3.44Å; I29-F167 VanDerWaalsContact CD1-CE2 3.44Å; I29-F167 HydrophobicContact CD1-CZ 3.92Å
30F95.8Very high93.9Very high83 Ų8348 Ų4836%0.36429%0.288SS..Hα-helixtrans-59.9-49.1178.3178.2-95.9000111.5F26 V27 A28 T34 V126F26-F30 VanDerWaalsContact O-CB 3.3Å; F26-F30 WeakPolarHBondContact O-CB 3.33Å; F26-F30 PolarHBondContact O-N 2.98Å; V27-F30 PolarHBondContact O-N 2.91Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 2.63Å; F30-T34 WeakPolarHBondContact O-CB 3.28Å; F30-T34 PolarHBondContact O-N 2.93Å; F30-T34 PolarHBondContact O-OG1 3.19Å; F30-V126 HydrophobicContact CD2-CG2 3.75Å; F30-V126 HydrophobicContact CE2-CG2 3.96Å
31I95.6Very high94.1Very high88 Ų8847.2 Ų47.245%0.45129%0.292SS..Hα-helixtrans-63-54.4-179.8-66.9166.4000110.5V27 A28 T34 I35V27-I31 HydrophobicContact CG1-CD1 3.75Å; V27-I31 HydrophobicContact CG1-CG1 4.48Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.36Å; V27-I31 PolarHBondContact O-N 2.95Å; A28-I31 PolarHBondContact O-N 3.41Å; I31-T34 PolarHBondContact O-N 3.43Å; I31-I35 HydrophobicContact CG2-CD1 3.8Å; I31-I35 VanDerWaalsContact O-CG1 3.29Å; I31-I35 WeakPolarHBondContact O-CG1 3.19Å; I31-I35 PolarHBondContact O-N 3.09Å
32Q95.3Very high94.2Very high48 Ų4850.4 Ų50.422%0.22431%0.306CS..Hα-helixtrans-64.4-46.6-175.4-177.462.313.400111.6A28 T34 I35 L36 I156 F157A28-Q32 WeakPolarHBondContact O-CB 3.5Å; A28-Q32 PolarHBondContact O-N 3.3Å; Q32-T34 VanDerWaalsContact C-N 3.33Å; Q32-T34 PolarHBondContact O-N 3.02Å; Q32-I35 PolarHBondContact O-N 2.86Å; Q32-L36 HydrophobicContact CG-CD1 4.37Å; Q32-L36 WeakPolarHBondContact O-CG 3.26Å; Q32-L36 PolarHBondContact O-N 3.25Å; Q32-L36 VanDerWaalsContact O-N 3.07Å; Q32-I156 HydrophobicContact CG-CB 4.21Å; Q32-I156 HydrophobicContact CG-CG1 4.29Å; Q32-I156 PolarHBondContact NE2-O 2.99Å; Q32-F157 HydrophobicContact CB-CE1 4.01Å; Q32-F157 HydrophobicContact CB-CE2 4.33Å; Q32-F157 HydrophobicContact CB-CZ 3.68Å; Q32-F157 HydrophobicContact CG-CD1 4.46Å; Q32-F157 HydrophobicContact CG-CE1 4.02Å; Q32-F157 HydrophobicContact CG-CZ 4.04Å
33G95Very high94.5Very high0 Ų049 Ų490%030%0.299CS..Hα-helixtrans-62.2-40.817800000112.2I29 I35 L36 V37 V126I29-G33 WeakPolarHBondContact O-CA 3.34Å; I29-G33 PolarHBondContact O-N 2.84Å; G33-I35 PolarHBondContact O-N 3.15Å; G33-L36 PolarHBondContact O-N 2.6Å; G33-V37 WeakPolarHBondContact O-CG2 3.25Å; G33-V37 PolarHBondContact O-N 3.41Å; G33-V37 VanDerWaalsContact O-N 3.1Å; G33-V126 VanDerWaalsContact C-CG1 3.41Å
34T95.8Very high94.6Very high10 Ų1051.8 Ų51.86%0.06131%0.314CS..Hα-helixtrans-65.2-39.7177.6-61.20000112F30 I31 Q32 L36 V37 G38 G39 P40 V43F30-T34 WeakPolarHBondContact O-CB 3.28Å; F30-T34 PolarHBondContact O-N 2.93Å; F30-T34 PolarHBondContact O-OG1 3.19Å; I31-T34 PolarHBondContact O-N 3.43Å; Q32-T34 VanDerWaalsContact C-N 3.33Å; Q32-T34 PolarHBondContact O-N 3.02Å; T34-L36 VanDerWaalsContact C-N 3.35Å; T34-V37 PolarHBondContact O-N 3.36Å; T34-G38 PolarHBondContact O-N 2.91Å; T34-G39 WeakPolarHBondContact O-CA 3.44Å; T34-G39 PolarHBondContact O-N 3.3Å; T34-P40 VanDerWaalsContact CG2-CA 3.48Å; T34-P40 HydrophobicContact CG2-CB 3.87Å; T34-P40 HydrophobicContact CG2-CG 4.33Å; T34-V43 HydrophobicContact CG2-CG2 4.24Å
35I95.6Very high94.6Very high111 Ų11153.8 Ų53.857%0.56932%0.316SS*.Hα-helixtrans-62-44.5175.7-70.1166.2000110.5I31 Q32 G33 V37 G38I31-I35 HydrophobicContact CG2-CD1 3.8Å; I31-I35 VanDerWaalsContact O-CG1 3.29Å; I31-I35 WeakPolarHBondContact O-CG1 3.19Å; I31-I35 PolarHBondContact O-N 3.09Å; Q32-I35 PolarHBondContact O-N 2.86Å; G33-I35 PolarHBondContact O-N 3.15Å; I35-V37 VanDerWaalsContact C-N 3.32Å; I35-V37 PolarHBondContact O-N 3.03Å; I35-G38 PolarHBondContact O-N 3.41Å; I35-G38 VanDerWaalsContact O-N 3.1Å
36L94.3Very high94.6Very high80 Ų8054.8 Ų54.842%0.41932%0.32SS..Hα-helixtrans-65.5-32.3-179.3-69.3174.3000113.4Q32 G33 T34 G38 Y130 I156Q32-L36 HydrophobicContact CG-CD1 4.37Å; Q32-L36 WeakPolarHBondContact O-CG 3.26Å; Q32-L36 PolarHBondContact O-N 3.25Å; Q32-L36 VanDerWaalsContact O-N 3.07Å; G33-L36 PolarHBondContact O-N 2.6Å; T34-L36 VanDerWaalsContact C-N 3.35Å; L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.44Å; L36-Y130 HydrophobicContact CB-CD2 4.12Å; L36-Y130 HydrophobicContact CB-CE2 3.94Å; L36-Y130 HydrophobicContact CD1-CE2 4.11Å; L36-I156 HydrophobicContact CD1-CB 3.6Å; L36-I156 HydrophobicContact CD1-CG2 3.6Å
37V93.9Very high94.5Very high24 Ų2454 Ų5415%0.14532%0.316CS..Hα-helixtrans-74.6-17.4175.41760000112.3G33 T34 I35 Q42 V43 I46 A129 Y130G33-V37 WeakPolarHBondContact O-CG2 3.25Å; G33-V37 PolarHBondContact O-N 3.41Å; G33-V37 VanDerWaalsContact O-N 3.1Å; T34-V37 PolarHBondContact O-N 3.36Å; I35-V37 VanDerWaalsContact C-N 3.32Å; I35-V37 PolarHBondContact O-N 3.03Å; V37-Q42 HydrophobicContact CG1-CB 4.3Å; V37-Q42 HydrophobicContact CG1-CG 4.17Å; V37-V43 HydrophobicContact CB-CG2 3.76Å; V37-V43 HydrophobicContact CG1-CG2 3.62Å; V37-V43 HydrophobicContact CG2-CG2 4.18Å; V37-I46 HydrophobicContact CG1-CD1 3.88Å; V37-A129 HydrophobicContact CG1-CB 4.15Å; V37-A129 HydrophobicContact CG2-CB 4.3Å; V37-Y130 HydrophobicContact CG2-CD2 4.2Å
38G93.7Very high94.2Very high63 Ų6353.3 Ų53.365%0.64932%0.316SS*.THydrogen-bonded Turntrans10414-177.900000114.6T34 I35 L36T34-G38 PolarHBondContact O-N 2.91Å; I35-G38 PolarHBondContact O-N 3.41Å; I35-G38 VanDerWaalsContact O-N 3.1Å; L36-G38 VanDerWaalsContact C-N 3.27Å; L36-G38 PolarHBondContact O-N 3.44Å
39G94.3Very high94Very high17 Ų1757.9 Ų57.918%0.17534%0.336CS..  trans118.3167.1173.400000114.5T34 A41 Q42 V43T34-G39 WeakPolarHBondContact O-CA 3.44Å; T34-G39 PolarHBondContact O-N 3.3Å; G39-A41 VanDerWaalsContact C-N 3.33Å; G39-A41 PolarHBondContact O-N 2.83Å; G39-Q42 PolarHBondContact O-N 2.92Å; G39-V43 PolarHBondContact O-N 3.43Å
40P93.5Very high93.6Very high91 Ų9159 Ų5959%0.59135%0.348SS*.Hα-helixtrans-67.5-31.2-172.624.8-33.5000113.2T34 V43 L44T34-P40 VanDerWaalsContact CG2-CA 3.48Å; T34-P40 HydrophobicContact CG2-CB 3.87Å; T34-P40 HydrophobicContact CG2-CG 4.33Å; P40-V43 PolarHBondContact O-N 3.35Å; P40-L44 PolarHBondContact O-N 3.36Å
41A94.4Very high93.2Very high76 Ų7658.4 Ų58.463%0.62835%0.354SS*.Hα-helixtrans-64.3-43.9176.100000111.4G39 L44 E45G39-A41 VanDerWaalsContact C-N 3.33Å; G39-A41 PolarHBondContact O-N 2.83Å; A41-L44 PolarHBondContact O-N 3.46Å; A41-E45 WeakPolarHBondContact O-CB 3.27Å; A41-E45 PolarHBondContact O-N 2.93Å
42Q93.9Very high92.7Very high85 Ų8558.6 Ų58.640%0.39735%0.349SS..Hα-helixtrans-63.8-42.4177.8-163.172.737.600111.4V37 G39 L44 E45 I46V37-Q42 HydrophobicContact CG1-CB 4.3Å; V37-Q42 HydrophobicContact CG1-CG 4.17Å; G39-Q42 PolarHBondContact O-N 2.92Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.35Å; Q42-E45 PolarHBondContact O-N 3.21Å; Q42-I46 HydrophobicContact CG-CD1 3.92Å; Q42-I46 WeakPolarHBondContact O-CB 3.37Å; Q42-I46 WeakPolarHBondContact O-CD1 3.32Å; Q42-I46 VanDerWaalsContact O-CG1 3.26Å; Q42-I46 WeakPolarHBondContact O-CG1 3.27Å; Q42-I46 PolarHBondContact O-N 3.14Å
43V94.9Very high92.3Very high10 Ų1058.6 Ų58.66%0.06135%0.35CS..Hα-helixtrans-57.5-47.1174.7172.30000110.8T34 V37 G39 P40 A47 I125 V126 A129T34-V43 HydrophobicContact CG2-CG2 4.24Å; V37-V43 HydrophobicContact CB-CG2 3.76Å; V37-V43 HydrophobicContact CG1-CG2 3.62Å; V37-V43 HydrophobicContact CG2-CG2 4.18Å; G39-V43 PolarHBondContact O-N 3.43Å; P40-V43 PolarHBondContact O-N 3.35Å; V43-A47 VanDerWaalsContact O-CB 3.23Å; V43-A47 WeakPolarHBondContact O-CB 2.94Å; V43-A47 PolarHBondContact O-N 3.46Å; V43-I125 HydrophobicContact CG1-CG2 4.08Å; V43-V126 HydrophobicContact CG1-CG2 4.06Å; V43-A129 HydrophobicContact CB-CB 4.28Å; V43-A129 HydrophobicContact CG1-CB 3.98Å; V43-A129 HydrophobicContact CG2-CB 4.27Å
44L93.9Very high91.7Very high106 Ų10663.4 Ų63.456%0.55538%0.376SS*.Hα-helixtrans-66.6-41.6-178.5-168.573.3000111.8P40 A41 Q42 A47 S48 L53P40-L44 PolarHBondContact O-N 3.36Å; A41-L44 PolarHBondContact O-N 3.46Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.35Å; L44-A47 PolarHBondContact O-N 3.3Å; L44-S48 VanDerWaalsContact O-CB 3.26Å; L44-S48 WeakPolarHBondContact O-CB 3.43Å; L44-S48 PolarHBondContact O-N 2.86Å; L44-L53 HydrophobicContact CD1-CD1 3.45Å; L44-L53 VanDerWaalsContact CD1-CD1 3.45Å; L44-L53 HydrophobicContact CG-CD1 4.29Å
45E94.2Very high91Very high105 Ų10571 Ų7149%0.49141%0.408SS..Hα-helixtrans-62.1-48.8177-174.3-179.5176.800111.4A41 Q42 A47 S48 N49A41-E45 WeakPolarHBondContact O-CB 3.27Å; A41-E45 PolarHBondContact O-N 2.93Å; Q42-E45 PolarHBondContact O-N 3.21Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 2.94Å; E45-S48 PolarHBondContact O-N 3.2Å; E45-N49 WeakPolarHBondContact O-CB 3.27Å; E45-N49 PolarHBondContact O-N 3.17Å
46I92.3Very high90.4Very high27 Ų2771.7 Ų71.714%0.13841%0.413CS..Hα-helixtrans-61.3-44.4177.3-68.2164.7000110.7V37 Q42 N49 G50 F128 A129 N132V37-I46 HydrophobicContact CG1-CD1 3.88Å; Q42-I46 HydrophobicContact CG-CD1 3.92Å; Q42-I46 WeakPolarHBondContact O-CB 3.37Å; Q42-I46 WeakPolarHBondContact O-CD1 3.32Å; Q42-I46 VanDerWaalsContact O-CG1 3.26Å; Q42-I46 WeakPolarHBondContact O-CG1 3.27Å; Q42-I46 PolarHBondContact O-N 3.14Å; I46-N49 PolarHBondContact O-N 3.43Å; I46-G50 PolarHBondContact O-N 3.31Å; I46-F128 HydrophobicContact CG2-CE1 4.18Å; I46-A129 HydrophobicContact CB-CB 4.19Å; I46-A129 HydrophobicContact CD1-CB 4.43Å; I46-A129 HydrophobicContact CG2-CB 4.02Å; I46-N132 HydrophobicContact CG2-CB 3.84Å; I46-N132 VanDerWaalsContact CG2-ND2 3.3Å; I46-N132 WeakPolarHBondContact CG2-ND2 3.39Å
47A92Very high90Very high0 Ų070.1 Ų70.10%041%0.405CS..Hα-helixtrans-66-37.8179.700000112.6V43 L44 E45 S51 R52 L53 I125V43-A47 VanDerWaalsContact O-CB 3.23Å; V43-A47 WeakPolarHBondContact O-CB 2.94Å; V43-A47 PolarHBondContact O-N 3.46Å; L44-A47 PolarHBondContact O-N 3.3Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 2.94Å; A47-S51 PolarHBondContact O-N 2.95Å; A47-R52 PolarHBondContact O-N 3.34Å; A47-L53 HydrophobicContact CB-CD1 3.94Å; A47-L53 HydrophobicContact CB-CG 3.99Å; A47-I125 HydrophobicContact CB-CG2 3.62Å
48S90.6Very high89.7Confident68 Ų6874.1 Ų74.148%0.47642%0.421SS..Hα-helixtrans-67.3-46.9175.3-172.10000111.3L44 E45 G50 S51L44-S48 VanDerWaalsContact O-CB 3.26Å; L44-S48 WeakPolarHBondContact O-CB 3.43Å; L44-S48 PolarHBondContact O-N 2.86Å; E45-S48 PolarHBondContact O-N 3.2Å; S48-G50 VanDerWaalsContact C-N 3.27Å; S48-G50 PolarHBondContact O-N 2.96Å; S48-S51 PolarHBondContact O-N 3.17Å
49N90.6Very high89.3Confident124 Ų12474.2 Ų74.266%0.66341%0.406SS*.Hα-helixtrans-64.8-32177.9-73.2-11.3000112.3E45 I46 S51E45-N49 WeakPolarHBondContact O-CB 3.27Å; E45-N49 PolarHBondContact O-N 3.17Å; I46-N49 PolarHBondContact O-N 3.43Å; N49-S51 PolarHBondContact O-N 3.43Å
50G85.9Confident89Confident24 Ų2478.7 Ų78.725%0.24743%0.43CS..THydrogen-bonded Turntrans-78.96.3173.700000114.9I46 S48 R52I46-G50 PolarHBondContact O-N 3.31Å; S48-G50 VanDerWaalsContact C-N 3.27Å; S48-G50 PolarHBondContact O-N 2.96Å; G50-R52 PolarHBondContact O-N 3.22Å; G50-R52 VanDerWaalsContact O-N 3.08Å
51S86.9Confident88.6Confident69 Ų6976 Ų7648%0.48341%0.41SS..THydrogen-bonded Turntrans54.525-176.5-59.90000114.2A47 S48 N49 L53 L300A47-S51 PolarHBondContact O-N 2.95Å; S48-S51 PolarHBondContact O-N 3.17Å; N49-S51 PolarHBondContact O-N 3.43Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L300 WeakPolarHBondContact O-CD1 3.3Å
52R85.9Confident87.9Confident93 Ų9377.4 Ų77.435%0.35141%0.413SS..  trans-81.7-15.9-179.9-62-69.3172.9177.3-4.1112.6A47 G50 F128 L300 P301A47-R52 PolarHBondContact O-N 3.34Å; G50-R52 PolarHBondContact O-N 3.22Å; G50-R52 VanDerWaalsContact O-N 3.08Å; R52-F128 HydrophobicContact CB-CD1 4.42Å; R52-F128 HydrophobicContact CB-CE1 4.46Å; R52-F128 HydrophobicContact CG-CD1 3.63Å; R52-F128 HydrophobicContact CG-CD2 4.06Å; R52-F128 HydrophobicContact CG-CE1 3.49Å; R52-F128 VanDerWaalsContact CG-CE1 3.49Å; R52-F128 HydrophobicContact CG-CE2 3.94Å; R52-F128 HydrophobicContact CG-CG 3.91Å; R52-F128 HydrophobicContact CG-CZ 3.65Å; R52-L300 HydrophobicContact CG-CD1 4.47Å; R52-L300 PolarHBondContact NH2-O 3Å; R52-L300 VanDerWaalsContact NH2-O 3.11Å; R52-P301 PolarHBondContact NH2-O 2.94Å
53L86Confident87.4Confident48 Ų4878.7 Ų78.725%0.25141%0.414SS..  trans-103.670.4176.3-60.4176.2000110.4L44 A47 S51 F55 I125L44-L53 HydrophobicContact CD1-CD1 3.45Å; L44-L53 VanDerWaalsContact CD1-CD1 3.45Å; L44-L53 HydrophobicContact CG-CD1 4.29Å; A47-L53 HydrophobicContact CB-CD1 3.94Å; A47-L53 HydrophobicContact CB-CG 3.99Å; S51-L53 VanDerWaalsContact C-N 3.34Å; L53-F55 HydrophobicContact CB-CE2 4.44Å; L53-I125 HydrophobicContact CD2-CD1 3.74Å; L53-I125 HydrophobicContact CD2-CG1 4.35Å
54N83.4Confident86.7Confident101 Ų10180.7 Ų80.754%0.5442%0.423SS..  trans-112.3107.1176.1-168.1-12.6000110.7N56N54-N56 PolarHBondContact OD1-N 3.29Å
55F81.3Confident85.9Confident169 Ų16980 Ų8074%0.74141%0.412SS*.  trans-98-10.7177.1-62.1-77.3000113.1L53L53-F55 HydrophobicContact CB-CE2 4.44Å
56N83.1Confident85.4Confident125 Ų12581 Ų8167%0.66841%0.413SS*.  trans-115.732.4-165.5-65.3-21.9000112.8N54 F58N54-N56 PolarHBondContact OD1-N 3.29Å; N56-F58 HydrophobicContact CB-CE2 4.21Å; N56-F58 WeakPolarHBondContact O-CD2 3.44Å; N56-F58 PolarHBondContact O-N 3.43Å
57D84.6Confident85.3Confident47 Ų4780.1 Ų80.125%0.25141%0.409SS..  trans-87.191.5173-162.7-22000110.6D59 F68D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 VanDerWaalsContact OD1-CB 3.3Å; D57-D59 WeakPolarHBondContact OD1-CB 3.39Å; D57-D59 PolarHBondContact OD1-N 2.83Å; D57-F68 WeakPolarHBondContact O-CB 3.49Å; D57-F68 PolarHBondContact O-N 2.87Å
58F87.6Confident85.1Confident108 Ų10884.2 Ų84.247%0.47443%0.427SS..  trans-94.718179.4-69.1-84.2000113.5N56 F68 W69N56-F58 HydrophobicContact CB-CE2 4.21Å; N56-F58 WeakPolarHBondContact O-CD2 3.44Å; N56-F58 PolarHBondContact O-N 3.43Å; F58-F68 HydrophobicContact CD1-CB 3.66Å; F58-F68 AromaticContact CD1-CD1 3.69Å; F58-F68 HydrophobicContact CD1-CD1 3.69Å; F58-F68 HydrophobicContact CD1-CD2 4.25Å; F58-F68 HydrophobicContact CD1-CE1 4.42Å; F58-F68 AromaticContact CD1-CG 3.59Å; F58-F68 HydrophobicContact CD1-CG 3.59Å; F58-F68 HydrophobicContact CE1-CB 3.85Å; F58-F68 AromaticContact CE1-CD1 3.63Å; F58-F68 HydrophobicContact CE1-CD1 3.63Å; F58-F68 AromaticContact CE1-CD2 3.56Å; F58-F68 HydrophobicContact CE1-CD2 3.56Å; F58-F68 HydrophobicContact CE1-CE1 4.04Å; F58-F68 AromaticContact CE1-CE2 3.97Å; F58-F68 HydrophobicContact CE1-CE2 3.97Å; F58-F68 AromaticContact CE1-CG 3.37Å; F58-F68 HydrophobicContact CE1-CG 3.37Å; F58-F68 HydrophobicContact CE1-CZ 4.2Å; F58-F68 HydrophobicContact CG-CB 4.32Å; F58-F68 HydrophobicContact CZ-CD2 4.13Å; F58-F68 HydrophobicContact CZ-CG 4.29Å; F58-W69 PolarHBondContact O-NE1 3.01Å
59D87.1Confident85Confident65 Ų6586.9 Ų86.935%0.34843%0.426SS..  trans-62.6139.7178.5-157.6-32.9000111.3D57 D61 K64 T67D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 VanDerWaalsContact OD1-CB 3.3Å; D57-D59 WeakPolarHBondContact OD1-CB 3.39Å; D57-D59 PolarHBondContact OD1-N 2.83Å; D59-D61 WeakPolarHBondContact OD1-CB 3.1Å; D59-D61 PolarHBondContact OD1-N 3.27Å; D59-K64 HydrophobicContact CB-CD 3.76Å; D59-K64 VanDerWaalsContact OD2-CE 3.25Å; D59-K64 WeakPolarHBondContact OD2-CE 3.24Å; D59-K64 IonicContact OD2-NZ 3.5Å; D59-K64 PolarHBondContact OD2-NZ 2.81Å; D59-T67 HydrophobicContact CB-CG2 4.39Å; D59-T67 WeakPolarHBondContact O-CB 3.06Å; D59-T67 WeakPolarHBondContact O-CG2 3.18Å; D59-T67 PolarHBondContact O-OG1 3.38Å
60V86.4Confident84.9Confident112 Ų11283.1 Ų83.168%0.67941%0.409SS*.  trans-95.4-5.7-177.7-172.20000110.9P62V60-P62 WeakPolarHBondContact O-CD 3.47Å; V60-P62 VanDerWaalsContact O-N 3.08Å
61D85.8Confident85Confident33 Ų3387 Ų8718%0.17642%0.424CS..  trans-58.1112.8176.1-169.4-19.4000110.8D59 R63 K64D59-D61 WeakPolarHBondContact OD1-CB 3.1Å; D59-D61 PolarHBondContact OD1-N 3.27Å; D61-R63 PolarHBondContact O-N 3.01Å; D61-R63 VanDerWaalsContact O-N 3.12Å; D61-R63 VanDerWaalsContact OD1-CB 3.24Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.47Å; D61-R63 IonicContact OD1-CZ 3.4Å; D61-R63 PolarHBondContact OD1-N 2.96Å; D61-R63 IonicContact OD1-NE 3.22Å; D61-R63 PolarHBondContact OD1-NE 3.2Å; D61-R63 IonicContact OD1-NH2 2.73Å; D61-R63 IonicContact OD2-CZ 3.64Å; D61-R63 IonicContact OD2-NE 2.67Å; D61-R63 PolarHBondContact OD2-NE 2.91Å; D61-R63 IonicContact OD2-NH2 3.82Å; D61-R63 PolarHBondContact OD2-NH2 3.37Å; D61-K64 HydrophobicContact CB-CD 4.39Å; D61-K64 HydrophobicContact CB-CG 4.33Å; D61-K64 WeakPolarHBondContact O-CB 3.43Å; D61-K64 PolarHBondContact O-N 3.26Å; D61-K64 VanDerWaalsContact O-N 3.13Å
62P80.3Confident85.1Confident106 Ų10685.5 Ų85.569%0.68841%0.413SS*.THydrogen-bonded Turntrans-70.1-9-177.530.7-36.8000113.1V60 Y346V60-P62 WeakPolarHBondContact O-CD 3.47Å; V60-P62 VanDerWaalsContact O-N 3.08Å; P62-Y346 HydrophobicContact CG-CE1 4.26Å
63R82.3Confident85.3Confident112 Ų11284.8 Ų84.842%0.42342%0.419SS..THydrogen-bonded Turntrans-82.9-19.6175.9-57.8171.9-64.5179.74.9112.2D61 R65 P292 T296D61-R63 PolarHBondContact O-N 3.01Å; D61-R63 VanDerWaalsContact O-N 3.12Å; D61-R63 VanDerWaalsContact OD1-CB 3.24Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 WeakPolarHBondContact OD1-CG 3.47Å; D61-R63 IonicContact OD1-CZ 3.4Å; D61-R63 PolarHBondContact OD1-N 2.96Å; D61-R63 IonicContact OD1-NE 3.22Å; D61-R63 PolarHBondContact OD1-NE 3.2Å; D61-R63 IonicContact OD1-NH2 2.73Å; D61-R63 IonicContact OD2-CZ 3.64Å; D61-R63 IonicContact OD2-NE 2.67Å; D61-R63 PolarHBondContact OD2-NE 2.91Å; D61-R63 IonicContact OD2-NH2 3.82Å; D61-R63 PolarHBondContact OD2-NH2 3.37Å; R63-R65 PolarHBondContact O-N 3.2Å; R63-P292 HydrophobicContact CB-CB 4.26Å; R63-P292 HydrophobicContact CB-CG 4.05Å; R63-T296 HydrophobicContact CB-CG2 3.79Å
64K81.3Confident85.3Confident53 Ų5384.1 Ų84.123%0.2342%0.424CS..SBendtrans-71.4125.8172-79.6-178.9168.3-1710109.3D59 D61 T67 T296D59-K64 HydrophobicContact CB-CD 3.76Å; D59-K64 VanDerWaalsContact OD2-CE 3.25Å; D59-K64 WeakPolarHBondContact OD2-CE 3.24Å; D59-K64 IonicContact OD2-NZ 3.5Å; D59-K64 PolarHBondContact OD2-NZ 2.81Å; D61-K64 HydrophobicContact CB-CD 4.39Å; D61-K64 HydrophobicContact CB-CG 4.33Å; D61-K64 WeakPolarHBondContact O-CB 3.43Å; D61-K64 PolarHBondContact O-N 3.26Å; D61-K64 VanDerWaalsContact O-N 3.13Å; K64-T67 HydrophobicContact CB-CG2 3.57Å; K64-T67 HydrophobicContact CD-CG2 4.18Å; K64-T296 WeakPolarHBondContact CG-O 3.36Å
65R76.6Confident85.5Confident90 Ų9080.1 Ų80.134%0.3441%0.406SS..SBendtrans-66.2-46-171.4-175.4176.6174.9147.31.5112.6R63 S70 Q238R63-R65 PolarHBondContact O-N 3.2Å; R65-S70 PolarHBondContact O-OG 3.1Å; R65-S70 VanDerWaalsContact O-OG 3.12Å; R65-Q238 VanDerWaalsContact CZ-CD 3.48Å; R65-Q238 VanDerWaalsContact NH1-CD 3.3Å
66Y84Confident86Confident128 Ų12875.7 Ų75.750%0.50240%0.397SS..SBendtrans-126.4106-176.2-59.2-56.7000109.6L71Y66-L71 HydrophobicContact CD1-CD2 3.91Å
67T88.9Confident86.3Confident8 Ų874.5 Ų74.55%0.04939%0.388CS..  trans-129.2167.8171.566.80000108.7D59 K64 W69 S70 L71D59-T67 HydrophobicContact CB-CG2 4.39Å; D59-T67 WeakPolarHBondContact O-CB 3.06Å; D59-T67 WeakPolarHBondContact O-CG2 3.18Å; D59-T67 PolarHBondContact O-OG1 3.38Å; K64-T67 HydrophobicContact CB-CG2 3.57Å; K64-T67 HydrophobicContact CD-CG2 4.18Å; T67-W69 PolarHBondContact O-N 3Å; T67-W69 PolarHBondContact OG1-N 3.29Å; T67-S70 PolarHBondContact N-OG 2.86Å; T67-S70 PolarHBondContact O-N 3.32Å; T67-S70 PolarHBondContact O-OG 2.84Å; T67-S70 PolarHBondContact OG1-N 3.35Å; T67-L71 WeakPolarHBondContact O-CB 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 3.3Å
68F89.3Confident86.5Confident86 Ų8673.9 Ų73.938%0.37739%0.386SS..Hα-helixtrans-50.7-41.8172.3175.3-94.8000111.4D57 F58 S72D57-F68 WeakPolarHBondContact O-CB 3.49Å; D57-F68 PolarHBondContact O-N 2.87Å; F58-F68 HydrophobicContact CD1-CB 3.66Å; F58-F68 AromaticContact CD1-CD1 3.69Å; F58-F68 HydrophobicContact CD1-CD1 3.69Å; F58-F68 HydrophobicContact CD1-CD2 4.25Å; F58-F68 HydrophobicContact CD1-CE1 4.42Å; F58-F68 AromaticContact CD1-CG 3.59Å; F58-F68 HydrophobicContact CD1-CG 3.59Å; F58-F68 HydrophobicContact CE1-CB 3.85Å; F58-F68 AromaticContact CE1-CD1 3.63Å; F58-F68 HydrophobicContact CE1-CD1 3.63Å; F58-F68 AromaticContact CE1-CD2 3.56Å; F58-F68 HydrophobicContact CE1-CD2 3.56Å; F58-F68 HydrophobicContact CE1-CE1 4.04Å; F58-F68 AromaticContact CE1-CE2 3.97Å; F58-F68 HydrophobicContact CE1-CE2 3.97Å; F58-F68 AromaticContact CE1-CG 3.37Å; F58-F68 HydrophobicContact CE1-CG 3.37Å; F58-F68 HydrophobicContact CE1-CZ 4.2Å; F58-F68 HydrophobicContact CG-CB 4.32Å; F58-F68 HydrophobicContact CZ-CD2 4.13Å; F58-F68 HydrophobicContact CZ-CG 4.29Å; F68-S72 WeakPolarHBondContact O-CB 3.27Å; F68-S72 PolarHBondContact O-N 2.8Å; F68-S72 PolarHBondContact O-OG 2.97Å
69W88.9Confident86.5Confident124 Ų12473.8 Ų73.847%0.4738%0.383SS..Hα-helixtrans-71.2-44.9-178.2-61.5109.8000112.9F58 T67 L71 V73 G74F58-W69 PolarHBondContact O-NE1 3.01Å; T67-W69 PolarHBondContact O-N 3Å; T67-W69 PolarHBondContact OG1-N 3.29Å; W69-L71 VanDerWaalsContact C-N 3.32Å; W69-L71 PolarHBondContact O-N 2.81Å; W69-V73 HydrophobicContact CE3-CG2 3.99Å; W69-V73 WeakPolarHBondContact O-CB 3.27Å; W69-V73 PolarHBondContact O-N 3.36Å; W69-G74 PolarHBondContact O-N 3.45Å
70S87.4Confident86.8Confident44 Ų4474.9 Ų74.931%0.30839%0.388SS..Iπ-helixtrans-66.3-37.9179.874.20000111.4R65 T67 G74 G75R65-S70 PolarHBondContact O-OG 3.1Å; R65-S70 VanDerWaalsContact O-OG 3.12Å; T67-S70 PolarHBondContact N-OG 2.86Å; T67-S70 PolarHBondContact O-N 3.32Å; T67-S70 PolarHBondContact O-OG 2.84Å; T67-S70 PolarHBondContact OG1-N 3.35Å; S70-G74 CarbonylContact O-C 3.26Å; S70-G74 WeakPolarHBondContact O-CA 3.37Å; S70-G74 PolarHBondContact O-N 3.03Å; S70-G75 PolarHBondContact O-N 3.17Å; S70-G75 VanDerWaalsContact O-N 3.1Å
71L87.9Confident87Confident106 Ų10670 Ų7056%0.55536%0.359SS*.Iπ-helixtrans-75.2-43.3178.2-66.2176.2000113Y66 T67 W69 G75Y66-L71 HydrophobicContact CD1-CD2 3.91Å; T67-L71 WeakPolarHBondContact O-CB 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 3.3Å; W69-L71 VanDerWaalsContact C-N 3.32Å; W69-L71 PolarHBondContact O-N 2.81Å; L71-G75 VanDerWaalsContact O-CA 3.23Å; L71-G75 WeakPolarHBondContact O-CA 3.36Å; L71-G75 PolarHBondContact O-N 2.96Å
72S89.3Confident87.1Confident37 Ų3771.3 Ų71.326%0.25937%0.365SS..Iπ-helixtrans-76.9-60-178.962.30000111.8F68 S76F68-S72 WeakPolarHBondContact O-CB 3.27Å; F68-S72 PolarHBondContact O-N 2.8Å; F68-S72 PolarHBondContact O-OG 2.97Å; S72-S76 WeakPolarHBondContact O-CB 3.4Å; S72-S76 PolarHBondContact O-N 2.9Å; S72-S76 PolarHBondContact O-OG 3.22Å
73V89.2Confident87.6Confident78 Ų7868.3 Ų68.347%0.47334%0.34SS..Iπ-helixtrans-74.3-52.4-175.4-178.20000110.3W69 S76 M77W69-V73 HydrophobicContact CE3-CG2 3.99Å; W69-V73 WeakPolarHBondContact O-CB 3.27Å; W69-V73 PolarHBondContact O-N 3.36Å; V73-S76 PolarHBondContact O-N 3.07Å; V73-M77 WeakPolarHBondContact O-CG 3.07Å; V73-M77 PolarHBondContact O-N 3.4Å
74G87.6Confident87.9Confident34 Ų3465.1 Ų65.135%0.35134%0.342SS..Iπ-helixtrans-62.7-46.9178.600000111.9W69 S70 S76 M77 V78W69-G74 PolarHBondContact O-N 3.45Å; S70-G74 CarbonylContact O-C 3.26Å; S70-G74 WeakPolarHBondContact O-CA 3.37Å; S70-G74 PolarHBondContact O-N 3.03Å; G74-S76 PolarHBondContact O-N 3.01Å; G74-M77 PolarHBondContact O-N 3.22Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 3.49Å
75G87.9Confident88.2Confident17 Ų1763.8 Ų63.818%0.17534%0.338CS..Hα-helixtrans-60.4-42.817500000112.9S70 L71 M77 V78 W79S70-G75 PolarHBondContact O-N 3.17Å; S70-G75 VanDerWaalsContact O-N 3.1Å; L71-G75 VanDerWaalsContact O-CA 3.23Å; L71-G75 WeakPolarHBondContact O-CA 3.36Å; L71-G75 PolarHBondContact O-N 2.96Å; G75-M77 PolarHBondContact O-N 3.45Å; G75-V78 WeakPolarHBondContact O-CB 3.33Å; G75-V78 PolarHBondContact O-N 3.31Å; G75-W79 PolarHBondContact O-N 2.96Å
76S89.9Confident88.8Confident76 Ų7662 Ų6253%0.53134%0.336SS..Hα-helixtrans-61-42.7176.9-65.50000112.2S72 V73 G74 W79 L80S72-S76 WeakPolarHBondContact O-CB 3.4Å; S72-S76 PolarHBondContact O-N 2.9Å; S72-S76 PolarHBondContact O-OG 3.22Å; V73-S76 PolarHBondContact O-N 3.07Å; G74-S76 PolarHBondContact O-N 3.01Å; S76-W79 PolarHBondContact O-N 3.31Å; S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 PolarHBondContact O-N 3.4Å
77M90Very high89Confident101 Ų10159.2 Ų59.250%0.49833%0.327SS..Hα-helixtrans-65.1-41.5176.9-68.9-63.8179.300112V73 G74 G75 L80 S81 L252V73-M77 WeakPolarHBondContact O-CG 3.07Å; V73-M77 PolarHBondContact O-N 3.4Å; G74-M77 PolarHBondContact O-N 3.22Å; G75-M77 PolarHBondContact O-N 3.45Å; M77-L80 PolarHBondContact O-N 3.16Å; M77-S81 WeakPolarHBondContact O-CB 3.25Å; M77-S81 PolarHBondContact O-N 3.44Å; M77-L252 HydrophobicContact SD-CD2 4.13Å
78V88.3Confident88.9Confident34 Ų3459 Ų5921%0.20633%0.326CS..Hα-helixtrans-58.1-51.9174.3157.80000111.1G74 G75 S81 M82 F241 M244G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 3.49Å; G75-V78 WeakPolarHBondContact O-CB 3.33Å; G75-V78 PolarHBondContact O-N 3.31Å; V78-S81 PolarHBondContact O-N 2.8Å; V78-M82 WeakPolarHBondContact O-CG 3.42Å; V78-M82 PolarHBondContact O-N 3.35Å; V78-F241 HydrophobicContact CG1-CE1 4.3Å; V78-M244 HydrophobicContact CB-CE 4.2Å; V78-M244 HydrophobicContact CG1-CE 3.26Å; V78-M244 HydrophobicContact CG1-SD 4.45Å; V78-M244 HydrophobicContact CG2-CE 4Å
79W89.3Confident88.8Confident105 Ų10556.8 Ų56.840%0.39832%0.317SS..Hα-helixtrans-67.4-39.3-178.9-71.4117.9000112.1G75 S76 S81 M82 Y83 L113G75-W79 PolarHBondContact O-N 2.96Å; S76-W79 PolarHBondContact O-N 3.31Å; W79-S81 VanDerWaalsContact C-N 3.31Å; W79-S81 PolarHBondContact O-N 2.93Å; W79-M82 HydrophobicContact CE3-CB 4.5Å; W79-M82 PolarHBondContact O-N 3.46Å; W79-Y83 HydrophobicContact CD2-CE2 4.49Å; W79-Y83 HydrophobicContact CE3-CD2 4.22Å; W79-Y83 AromaticContact CE3-CE2 3.57Å; W79-Y83 HydrophobicContact CE3-CE2 3.57Å; W79-Y83 HydrophobicContact CZ3-CE2 4.11Å; W79-Y83 VanDerWaalsContact O-CD2 3.27Å; W79-Y83 WeakPolarHBondContact O-CD2 3.31Å; W79-Y83 PolarHBondContact O-N 3.22Å; W79-L113 HydrophobicContact CE3-CD2 4.04Å; W79-L113 HydrophobicContact CH2-CD1 4.02Å; W79-L113 HydrophobicContact CH2-CD2 3.42Å; W79-L113 VanDerWaalsContact CH2-CD2 3.42Å; W79-L113 HydrophobicContact CH2-CG 4.25Å; W79-L113 HydrophobicContact CZ2-CD2 3.98Å; W79-L113 HydrophobicContact CZ3-CD2 3.44Å; W79-L113 VanDerWaalsContact CZ3-CD2 3.44Å
80L91.7Very high88.8Confident89 Ų8952.8 Ų52.847%0.46631%0.306SS..Hα-helixtrans-60.2-42.6175.1-177.961.1000111.1S76 M77 G84 L252S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 PolarHBondContact O-N 3.4Å; M77-L80 PolarHBondContact O-N 3.16Å; L80-G84 WeakPolarHBondContact O-CA 3.46Å; L80-G84 PolarHBondContact O-N 3.48Å; L80-L252 HydrophobicContact CB-CD2 4.44Å; L80-L252 HydrophobicContact CD2-CD1 4.18Å; L80-L252 HydrophobicContact CD2-CD2 4.28Å; L80-L252 HydrophobicContact CG-CD1 4.02Å; L80-L252 HydrophobicContact CG-CD2 4.38Å
81S91.3Very high88.7Confident9 Ų953.1 Ų53.16%0.06330%0.303CS..Hα-helixtrans-66.1-41.5175.4-165.70000112.4M77 V78 W79 Y83 V85 N86 S248M77-S81 WeakPolarHBondContact O-CB 3.25Å; M77-S81 PolarHBondContact O-N 3.44Å; V78-S81 PolarHBondContact O-N 2.8Å; W79-S81 VanDerWaalsContact C-N 3.31Å; W79-S81 PolarHBondContact O-N 2.93Å; S81-Y83 VanDerWaalsContact C-N 3.34Å; S81-Y83 PolarHBondContact O-N 3.25Å; S81-V85 PolarHBondContact O-N 3.46Å; S81-V85 VanDerWaalsContact O-N 3.17Å; S81-N86 PolarHBondContact O-N 3.3Å; S81-N86 VanDerWaalsContact O-N 3.17Å; S81-S248 VanDerWaalsContact OG-CB 3.27Å; S81-S248 WeakPolarHBondContact OG-CB 3.48Å; S81-S248 PolarHBondContact OG-O 2.87Å
82M88.5Confident88.5Confident61 Ų6153 Ų5330%0.330%0.295SS..Hα-helixtrans-63.6-37.3179.5-78.2-62.1-134.700112.8V78 W79 N86 Q89 M244V78-M82 WeakPolarHBondContact O-CG 3.42Å; V78-M82 PolarHBondContact O-N 3.35Å; W79-M82 HydrophobicContact CE3-CB 4.5Å; W79-M82 PolarHBondContact O-N 3.46Å; M82-N86 WeakPolarHBondContact O-CB 3.29Å; M82-Q89 VanDerWaalsContact O-CG 3.25Å; M82-Q89 WeakPolarHBondContact O-CG 3.34Å; M82-M244 HydrophobicContact CE-CE 4.38Å; M82-M244 HydrophobicContact CE-CG 4.5Å; M82-M244 HydrophobicContact CE-SD 3.07Å; M82-M244 WeakPolarHBondContact CE-SD 3.49Å; M82-M244 HydrophobicContact CG-SD 3.9Å; M82-M244 HydrophobicContact SD-SD 3.6Å; M82-M244 VanDerWaalsContact SD-SD 3.6Å
83Y90.1Very high88.5Confident43 Ų4353.1 Ų53.117%0.16929%0.29CS..Hα-helixtrans-94.8-34.2-178-73.9-66.5000113.8W79 S81 Q89 Y93 L106 N109 L113W79-Y83 HydrophobicContact CD2-CE2 4.49Å; W79-Y83 HydrophobicContact CE3-CD2 4.22Å; W79-Y83 AromaticContact CE3-CE2 3.57Å; W79-Y83 HydrophobicContact CE3-CE2 3.57Å; W79-Y83 HydrophobicContact CZ3-CE2 4.11Å; W79-Y83 VanDerWaalsContact O-CD2 3.27Å; W79-Y83 WeakPolarHBondContact O-CD2 3.31Å; W79-Y83 PolarHBondContact O-N 3.22Å; S81-Y83 VanDerWaalsContact C-N 3.34Å; S81-Y83 PolarHBondContact O-N 3.25Å; Y83-Q89 HydrophobicContact CD1-CG 4.46Å; Y83-Y93 VanDerWaalsContact CD1-OH 3.28Å; Y83-Y93 WeakPolarHBondContact CD1-OH 3.43Å; Y83-L106 HydrophobicContact CD1-CD2 4Å; Y83-N109 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N109 VanDerWaalsContact CZ-ND2 3.3Å; Y83-N109 PolarHBondContact OH-ND2 3.31Å; Y83-L113 WeakPolarHBondContact OH-CD2 3.07Å
84G88.7Confident88.4Confident45 Ų4555.3 Ų55.346%0.46430%0.298SS..Hα-helixtrans-84.8-31.1-174.700000114.1L80L80-G84 WeakPolarHBondContact O-CA 3.46Å; L80-G84 PolarHBondContact O-N 3.48Å
85V88.2Confident88.3Confident24 Ų2457.6 Ų57.615%0.14531%0.309CS..THydrogen-bonded Turntrans-128.7-20.3-165.6-152.50000113.5S81 Q87 V251 L252 F255S81-V85 PolarHBondContact O-N 3.46Å; S81-V85 VanDerWaalsContact O-N 3.17Å; V85-Q87 PolarHBondContact O-N 2.91Å; V85-V251 HydrophobicContact CG1-CG1 3.72Å; V85-L252 HydrophobicContact CG2-CD1 3.7Å; V85-F255 HydrophobicContact CG1-CB 4.46Å; V85-F255 HydrophobicContact CG1-CD1 3.92Å; V85-F255 HydrophobicContact CG1-CD2 3.29Å; V85-F255 HydrophobicContact CG1-CE1 3.89Å; V85-F255 HydrophobicContact CG1-CE2 3.24Å; V85-F255 HydrophobicContact CG1-CG 3.62Å; V85-F255 HydrophobicContact CG1-CZ 3.55Å; V85-F255 HydrophobicContact CG2-CB 4.4Å; V85-F255 HydrophobicContact CG2-CG 4.32Å
86N89.4Confident88.3Confident54 Ų5458.8 Ų58.829%0.28931%0.314SS..  trans-68.7121.3178.6-170.7-34.7000111.1S81 M82 A88 Q89 V90S81-N86 PolarHBondContact O-N 3.3Å; S81-N86 VanDerWaalsContact O-N 3.17Å; M82-N86 WeakPolarHBondContact O-CB 3.29Å; N86-A88 VanDerWaalsContact C-N 3.26Å; N86-A88 PolarHBondContact O-N 3.03Å; N86-A88 WeakPolarHBondContact OD1-CB 3.23Å; N86-A88 PolarHBondContact OD1-N 3.08Å; N86-Q89 HydrophobicContact CB-CB 4.49Å; N86-Q89 HydrophobicContact CB-CG 4.45Å; N86-Q89 PolarHBondContact O-N 3.25Å; N86-V90 WeakPolarHBondContact O-CG2 3.3Å; N86-V90 PolarHBondContact O-N 2.93Å
87Q88.4Confident88.3Confident68 Ų6867.3 Ų67.332%0.31833%0.334SS..Hα-helixtrans-55.8-39.1-178.7-177.173.7-2700113.6V85 Q89 V90 Q91 A185 V189V85-Q87 PolarHBondContact O-N 2.91Å; Q87-Q89 PolarHBondContact O-N 3.17Å; Q87-V90 PolarHBondContact O-N 3.16Å; Q87-Q91 HydrophobicContact CG-CG 4.13Å; Q87-Q91 WeakPolarHBondContact O-CB 3.1Å; Q87-Q91 VanDerWaalsContact O-CG 3.27Å; Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.12Å; Q87-A185 HydrophobicContact CB-CB 4.4Å; Q87-A185 HydrophobicContact CG-CB 4.25Å; Q87-V189 HydrophobicContact CB-CG2 4Å; Q87-V189 HydrophobicContact CG-CG2 3.52Å
88A85.6Confident88.5Confident5 Ų565.4 Ų65.44%0.04133%0.331CS..Hα-helixtrans-57.8-34.6179.900000112.1N86 T181 A185N86-A88 VanDerWaalsContact C-N 3.26Å; N86-A88 PolarHBondContact O-N 3.03Å; N86-A88 WeakPolarHBondContact OD1-CB 3.23Å; N86-A88 PolarHBondContact OD1-N 3.08Å; A88-T181 HydrophobicContact CB-CG2 3.87Å; A88-A185 HydrophobicContact CB-CB 3.9Å
89Q88.1Confident88.7Confident38 Ų3870.9 Ų70.918%0.17835%0.354CS..Hα-helixtrans-84.3-47.8179.3-68.2-51.7-24.900111.4M82 Y83 N86 Q87 Q91 R92 Y93M82-Q89 VanDerWaalsContact O-CG 3.25Å; M82-Q89 WeakPolarHBondContact O-CG 3.34Å; Y83-Q89 HydrophobicContact CD1-CG 4.46Å; N86-Q89 HydrophobicContact CB-CB 4.49Å; N86-Q89 HydrophobicContact CB-CG 4.45Å; N86-Q89 PolarHBondContact O-N 3.25Å; Q87-Q89 PolarHBondContact O-N 3.17Å; Q89-Q91 PolarHBondContact O-N 3.42Å; Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.4Å; Q89-Y93 HydrophobicContact CB-CE2 3.78Å; Q89-Y93 WeakPolarHBondContact CB-OH 3.37Å; Q89-Y93 VanDerWaalsContact O-CD2 3.25Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.34Å; Q89-Y93 WeakPolarHBondContact O-CE2 3.3Å; Q89-Y93 PolarHBondContact O-N 2.61Å; Q89-Y93 PolarHBondContact OE1-OH 3.23Å
90V88.7Confident89Confident41 Ų4173.3 Ų73.325%0.24837%0.368CS..Hα-helixtrans-53.7-41.9178.11740000111.4N86 Q87 R92 Y93 I94N86-V90 WeakPolarHBondContact O-CG2 3.3Å; N86-V90 PolarHBondContact O-N 2.93Å; Q87-V90 PolarHBondContact O-N 3.16Å; V90-R92 VanDerWaalsContact C-N 3.25Å; V90-R92 PolarHBondContact O-N 3.44Å; V90-Y93 PolarHBondContact O-N 2.87Å; V90-Y93 VanDerWaalsContact O-N 3.13Å; V90-I94 HydrophobicContact CG1-CG2 4.3Å; V90-I94 PolarHBondContact O-N 3.34Å; V90-I94 VanDerWaalsContact O-N 3.08Å
91Q84.5Confident89.1Confident51 Ų5171 Ų7124%0.23836%0.362CS..Hα-helixtrans-58.5-33.8176.9-76.9-179.4-1.900113.7Q87 Q89 I94 S95Q87-Q91 HydrophobicContact CG-CG 4.13Å; Q87-Q91 WeakPolarHBondContact O-CB 3.1Å; Q87-Q91 VanDerWaalsContact O-CG 3.27Å; Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.12Å; Q89-Q91 PolarHBondContact O-N 3.42Å; Q91-I94 WeakPolarHBondContact O-CG1 3.16Å; Q91-S95 WeakPolarHBondContact O-CB 3.41Å; Q91-S95 PolarHBondContact O-N 3.06Å; Q91-S95 PolarHBondContact O-OG 2.92Å
92R84.8Confident89.2Confident104 Ų10471.2 Ų71.239%0.39236%0.363SS..Hα-helixtrans-71.3-36.3178.8-66.2173.4175.9-163.3-4.9111.2Q89 V90 C96 T181Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.4Å; V90-R92 VanDerWaalsContact C-N 3.25Å; V90-R92 PolarHBondContact O-N 3.44Å; R92-C96 PolarHBondContact O-SG 3.46Å; R92-C96 VanDerWaalsContact O-SG 3.41Å; R92-T181 PolarHBondContact NH2-OG1 3.2Å; R92-T181 VanDerWaalsContact NH2-OG1 3.1Å
93Y88.1Confident89.4Confident38 Ų3873.3 Ų73.315%0.14937%0.373CS..Hα-helixtrans-75.9-41.3-178.5-45.8-38.8000112.1Y83 Q89 V90 S95 C96 L106Y83-Y93 VanDerWaalsContact CD1-OH 3.28Å; Y83-Y93 WeakPolarHBondContact CD1-OH 3.43Å; Q89-Y93 HydrophobicContact CB-CE2 3.78Å; Q89-Y93 WeakPolarHBondContact CB-OH 3.37Å; Q89-Y93 VanDerWaalsContact O-CD2 3.25Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.34Å; Q89-Y93 WeakPolarHBondContact O-CE2 3.3Å; Q89-Y93 PolarHBondContact O-N 2.61Å; Q89-Y93 PolarHBondContact OE1-OH 3.23Å; V90-Y93 PolarHBondContact O-N 2.87Å; V90-Y93 VanDerWaalsContact O-N 3.13Å; Y93-S95 PolarHBondContact O-N 3.25Å; Y93-C96 VanDerWaalsContact O-CB 3.29Å; Y93-C96 WeakPolarHBondContact O-CB 3.46Å; Y93-C96 PolarHBondContact O-N 3.41Å; Y93-C96 VanDerWaalsContact O-N 3.13Å; Y93-L106 HydrophobicContact CD1-CD1 4.3Å; Y93-L106 HydrophobicContact CD1-CD2 4.08Å; Y93-L106 HydrophobicContact CD1-CG 3.85Å; Y93-L106 HydrophobicContact CD2-CD1 4.45Å; Y93-L106 HydrophobicContact CD2-CD2 4.46Å; Y93-L106 HydrophobicContact CE1-CD1 4.38Å; Y93-L106 HydrophobicContact CE1-CD2 3.35Å; Y93-L106 HydrophobicContact CE1-CG 3.6Å; Y93-L106 HydrophobicContact CE2-CD1 4.48Å; Y93-L106 HydrophobicContact CE2-CD2 3.76Å; Y93-L106 HydrophobicContact CE2-CG 4.37Å; Y93-L106 HydrophobicContact CG-CD1 4.39Å; Y93-L106 HydrophobicContact CG-CG 4.42Å; Y93-L106 VanDerWaalsContact OH-CD2 3.26Å; Y93-L106 WeakPolarHBondContact OH-CD2 3.45Å
94I87.6Confident89.6Confident125 Ų12579.3 Ų79.364%0.64140%0.395SS*.Hα-helixtrans-68.7-20176.566.9179000113V90 Q91 C96V90-I94 HydrophobicContact CG1-CG2 4.3Å; V90-I94 PolarHBondContact O-N 3.34Å; V90-I94 VanDerWaalsContact O-N 3.08Å; Q91-I94 WeakPolarHBondContact O-CG1 3.16Å; I94-C96 VanDerWaalsContact C-N 3.28Å
95S84.5Confident89.7Confident82 Ų8279.3 Ų79.357%0.57339%0.391SS*.THydrogen-bonded Turntrans-80.7-8.8175.7-61.30000113Q91 Y93Q91-S95 WeakPolarHBondContact O-CB 3.41Å; Q91-S95 PolarHBondContact O-N 3.06Å; Q91-S95 PolarHBondContact O-OG 2.92Å; Y93-S95 PolarHBondContact O-N 3.25Å
96C88Confident89.9Confident41 Ų4181 Ų8128%0.27740%0.398SS..SBendtrans-73.7148.5176.5-68.90000111R92 Y93 I94 S98 A101 A102R92-C96 PolarHBondContact O-SG 3.46Å; R92-C96 VanDerWaalsContact O-SG 3.41Å; Y93-C96 VanDerWaalsContact O-CB 3.29Å; Y93-C96 WeakPolarHBondContact O-CB 3.46Å; Y93-C96 PolarHBondContact O-N 3.41Å; Y93-C96 VanDerWaalsContact O-N 3.13Å; I94-C96 VanDerWaalsContact C-N 3.28Å; C96-S98 PolarHBondContact O-N 2.88Å; C96-A101 HydrophobicContact CB-CB 4.36Å; C96-A102 HydrophobicContact CB-CB 3.93Å
97R89.7Confident90.1Very high255 Ų25583.9 Ų83.996%0.96241%0.409SS*.SBendtrans-66.1-24.6-177.9-69.9-176.4174177.5-2.7114.2
98S94.8Very high90.3Very high62 Ų6285.1 Ų85.143%0.43442%0.42SS..SBendtrans-152.1158.1-179.2680000110.5C96 K100 A101 A102C96-S98 PolarHBondContact O-N 2.88Å; S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.48Å; S98-A101 WeakPolarHBondContact O-CB 3.21Å; S98-A101 PolarHBondContact O-N 3.46Å; S98-A101 VanDerWaalsContact O-N 3.11Å; S98-A101 WeakPolarHBondContact OG-CB 3.42Å; S98-A101 PolarHBondContact OG-N 3.43Å; S98-A102 PolarHBondContact O-N 2.9Å
99E93.4Very high90.5Very high149 Ų14987.6 Ų87.670%0.69643%0.433SS*.Hα-helixtrans-58.3-43.3175.6-171.7-173.3157.900111.7A101 A102 Q103E99-A101 VanDerWaalsContact C-N 3.28Å; E99-A101 PolarHBondContact O-N 2.86Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 3.43Å; E99-A102 VanDerWaalsContact O-N 3.09Å; E99-Q103 WeakPolarHBondContact O-CG 3.17Å; E99-Q103 PolarHBondContact O-N 3.07Å; E99-Q103 PolarHBondContact OE1-NE2 3.37Å
100K94.8Very high90.6Very high156 Ų15690 Ų9068%0.67844%0.444SS*.Hα-helixtrans-58.8-39.7175.4-69.1-173.5178.8-179.60112S98 Q103 W104S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.48Å; K100-Q103 PolarHBondContact O-N 3.28Å; K100-W104 PolarHBondContact O-N 3Å
101A93.8Very high90.9Very high41 Ų4191.9 Ų91.934%0.33945%0.452SS..Hα-helixtrans-66.4-38.5176.600000111.7C96 S98 E99 W104 A105C96-A101 HydrophobicContact CB-CB 4.36Å; S98-A101 WeakPolarHBondContact O-CB 3.21Å; S98-A101 PolarHBondContact O-N 3.46Å; S98-A101 VanDerWaalsContact O-N 3.11Å; S98-A101 WeakPolarHBondContact OG-CB 3.42Å; S98-A101 PolarHBondContact OG-N 3.43Å; E99-A101 VanDerWaalsContact C-N 3.28Å; E99-A101 PolarHBondContact O-N 2.86Å; A101-W104 PolarHBondContact O-N 3.43Å; A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.68Å
102A92.9Very high91.2Very high12 Ų1290.6 Ų90.610%0.09945%0.453CS..Hα-helixtrans-64.4-43.4174.300000112.2C96 S98 E99 W104 A105 L106C96-A102 HydrophobicContact CB-CB 3.93Å; S98-A102 PolarHBondContact O-N 2.9Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 3.43Å; E99-A102 VanDerWaalsContact O-N 3.09Å; A102-W104 PolarHBondContact O-N 3.45Å; A102-A105 PolarHBondContact O-N 2.78Å; A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 PolarHBondContact O-N 2.68Å
103Q93.8Very high91.5Very high106 Ų10687.5 Ų87.550%0.49544%0.444SS..Hα-helixtrans-60.3-44.6175.6-70.6172.3-7.400111.7E99 K100 L106 F107E99-Q103 WeakPolarHBondContact O-CG 3.17Å; E99-Q103 PolarHBondContact O-N 3.07Å; E99-Q103 PolarHBondContact OE1-NE2 3.37Å; K100-Q103 PolarHBondContact O-N 3.28Å; Q103-L106 WeakPolarHBondContact O-CB 3.21Å; Q103-L106 PolarHBondContact O-N 2.99Å; Q103-F107 PolarHBondContact O-N 3.32Å
104W94.4Very high91.6Very high169 Ų16989 Ų8964%0.6446%0.459SS*.Hα-helixtrans-65.2-40.9175-85.1109.7000112.6K100 A101 A102 L106 F107 V108K100-W104 PolarHBondContact O-N 3Å; A101-W104 PolarHBondContact O-N 3.43Å; A102-W104 PolarHBondContact O-N 3.45Å; W104-L106 VanDerWaalsContact C-N 3.33Å; W104-L106 PolarHBondContact O-N 2.68Å; W104-F107 HydrophobicContact CE3-CD1 4.06Å; W104-F107 AromaticContact CZ3-CD1 3.87Å; W104-F107 HydrophobicContact CZ3-CD1 3.87Å; W104-F107 HydrophobicContact CZ3-CE1 4.19Å; W104-F107 PolarHBondContact O-N 3.49Å; W104-V108 WeakPolarHBondContact O-CG2 3.48Å; W104-V108 PolarHBondContact O-N 2.91Å
105A91Very high91.9Very high45 Ų4587.4 Ų87.437%0.37245%0.451SS..Hα-helixtrans-61.2-42.7176.300000111.6A101 A102 N109A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.68Å; A102-A105 PolarHBondContact O-N 2.78Å; A105-N109 VanDerWaalsContact O-CB 3.27Å; A105-N109 WeakPolarHBondContact O-CB 3.44Å; A105-N109 PolarHBondContact O-N 2.91Å
106L91.8Very high92.3Very high58 Ų5885.2 Ų85.230%0.30443%0.433SS..Hα-helixtrans-59.5-46.9173.3-84.9169000112.2Y83 Y93 A102 Q103 W104 N109 Q110Y83-L106 HydrophobicContact CD1-CD2 4Å; Y93-L106 HydrophobicContact CD1-CD1 4.3Å; Y93-L106 HydrophobicContact CD1-CD2 4.08Å; Y93-L106 HydrophobicContact CD1-CG 3.85Å; Y93-L106 HydrophobicContact CD2-CD1 4.45Å; Y93-L106 HydrophobicContact CD2-CD2 4.46Å; Y93-L106 HydrophobicContact CE1-CD1 4.38Å; Y93-L106 HydrophobicContact CE1-CD2 3.35Å; Y93-L106 HydrophobicContact CE1-CG 3.6Å; Y93-L106 HydrophobicContact CE2-CD1 4.48Å; Y93-L106 HydrophobicContact CE2-CD2 3.76Å; Y93-L106 HydrophobicContact CE2-CG 4.37Å; Y93-L106 HydrophobicContact CG-CD1 4.39Å; Y93-L106 HydrophobicContact CG-CG 4.42Å; Y93-L106 VanDerWaalsContact OH-CD2 3.26Å; Y93-L106 WeakPolarHBondContact OH-CD2 3.45Å; A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 PolarHBondContact O-N 2.68Å; Q103-L106 WeakPolarHBondContact O-CB 3.21Å; Q103-L106 PolarHBondContact O-N 2.99Å; W104-L106 VanDerWaalsContact C-N 3.33Å; W104-L106 PolarHBondContact O-N 2.68Å; L106-N109 WeakPolarHBondContact O-CB 3.37Å; L106-N109 PolarHBondContact O-N 2.96Å; L106-Q110 PolarHBondContact O-N 2.99Å
107F93.1Very high92.4Very high116 Ų11687 Ų8751%0.50944%0.442SS..Hα-helixtrans-63.2-47-180-178.7-106.2000112.4Q103 W104 N109 Q110 I111Q103-F107 PolarHBondContact O-N 3.32Å; W104-F107 HydrophobicContact CE3-CD1 4.06Å; W104-F107 AromaticContact CZ3-CD1 3.87Å; W104-F107 HydrophobicContact CZ3-CD1 3.87Å; W104-F107 HydrophobicContact CZ3-CE1 4.19Å; W104-F107 PolarHBondContact O-N 3.49Å; F107-N109 VanDerWaalsContact C-N 3.29Å; F107-N109 PolarHBondContact O-N 2.95Å; F107-Q110 PolarHBondContact O-N 2.94Å; F107-Q110 VanDerWaalsContact O-N 3.15Å; F107-I111 HydrophobicContact CD1-CD1 3.81Å; F107-I111 HydrophobicContact CE1-CD1 3.29Å; F107-I111 HydrophobicContact CE1-CG1 4.33Å; F107-I111 HydrophobicContact CE2-CD1 4.36Å; F107-I111 HydrophobicContact CZ-CD1 3.61Å; F107-I111 HydrophobicContact CZ-CG1 4.32Å; F107-I111 PolarHBondContact O-N 3.24Å
108V92.1Very high92.6Very high93 Ų9377.8 Ų77.856%0.56442%0.417SS*.Hα-helixtrans-60.7-41.7176.21720000110.9W104 Q110 I111 G112W104-V108 WeakPolarHBondContact O-CG2 3.48Å; W104-V108 PolarHBondContact O-N 2.91Å; V108-Q110 VanDerWaalsContact C-N 3.34Å; V108-Q110 PolarHBondContact O-N 3.31Å; V108-I111 PolarHBondContact O-N 3.45Å; V108-G112 PolarHBondContact O-N 3.41Å
109N90.4Very high92.5Very high58 Ų5876.2 Ų76.231%0.3141%0.406SS..Hα-helixtrans-61.5-41.1175.4174.179.5000112.1Y83 A105 L106 F107 G112 L113Y83-N109 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N109 VanDerWaalsContact CZ-ND2 3.3Å; Y83-N109 PolarHBondContact OH-ND2 3.31Å; A105-N109 VanDerWaalsContact O-CB 3.27Å; A105-N109 WeakPolarHBondContact O-CB 3.44Å; A105-N109 PolarHBondContact O-N 2.91Å; L106-N109 WeakPolarHBondContact O-CB 3.37Å; L106-N109 PolarHBondContact O-N 2.96Å; F107-N109 VanDerWaalsContact C-N 3.29Å; F107-N109 PolarHBondContact O-N 2.95Å; N109-G112 PolarHBondContact O-N 3.16Å; N109-L113 WeakPolarHBondContact O-CB 3.25Å; N109-L113 PolarHBondContact O-N 2.96Å
110Q91.2Very high92.5Very high87 Ų8770.8 Ų70.841%0.40739%0.386SS..Hα-helixtrans-65.2-39.9177.8-171.257.643.500112.4L106 F107 V108 C114L106-Q110 PolarHBondContact O-N 2.99Å; F107-Q110 PolarHBondContact O-N 2.94Å; F107-Q110 VanDerWaalsContact O-N 3.15Å; V108-Q110 VanDerWaalsContact C-N 3.34Å; V108-Q110 PolarHBondContact O-N 3.31Å; Q110-C114 WeakPolarHBondContact O-CB 3.38Å; Q110-C114 PolarHBondContact O-N 3.45Å
111I93.4Very high92.4Very high81 Ų8166 Ų6642%0.41538%0.376SS..Hα-helixtrans-62.1-48.6173-67.5170000110.2F107 V108 L113 C114 L115F107-I111 HydrophobicContact CD1-CD1 3.81Å; F107-I111 HydrophobicContact CE1-CD1 3.29Å; F107-I111 HydrophobicContact CE1-CG1 4.33Å; F107-I111 HydrophobicContact CE2-CD1 4.36Å; F107-I111 HydrophobicContact CZ-CD1 3.61Å; F107-I111 HydrophobicContact CZ-CG1 4.32Å; F107-I111 PolarHBondContact O-N 3.24Å; V108-I111 PolarHBondContact O-N 3.45Å; I111-L113 PolarHBondContact O-N 2.94Å; I111-C114 PolarHBondContact O-N 2.7Å; I111-L115 HydrophobicContact CG2-CD1 3.99Å; I111-L115 HydrophobicContact CG2-CG 4.4Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.99Å
112G91.6Very high92.4Very high24 Ų2466.9 Ų66.925%0.24738%0.377CS..Hα-helixtrans-58.8-45.3179.400000112.6V108 N109 L115 I116V108-G112 PolarHBondContact O-N 3.41Å; N109-G112 PolarHBondContact O-N 3.16Å; G112-L115 PolarHBondContact O-N 3.29Å; G112-I116 WeakPolarHBondContact O-CD1 3.29Å; G112-I116 VanDerWaalsContact O-CG1 3.29Å; G112-I116 WeakPolarHBondContact O-CG1 3.45Å; G112-I116 PolarHBondContact O-N 3.47Å
113L90.2Very high92.5Very high39 Ų3966.3 Ų66.320%0.20437%0.372CS..Hα-helixtrans-60.4-46.3175.617866.7000111.5W79 Y83 N109 I111 L115 I116 V117W79-L113 HydrophobicContact CE3-CD2 4.04Å; W79-L113 HydrophobicContact CH2-CD1 4.02Å; W79-L113 HydrophobicContact CH2-CD2 3.42Å; W79-L113 VanDerWaalsContact CH2-CD2 3.42Å; W79-L113 HydrophobicContact CH2-CG 4.25Å; W79-L113 HydrophobicContact CZ2-CD2 3.98Å; W79-L113 HydrophobicContact CZ3-CD2 3.44Å; W79-L113 VanDerWaalsContact CZ3-CD2 3.44Å; Y83-L113 WeakPolarHBondContact OH-CD2 3.07Å; N109-L113 WeakPolarHBondContact O-CB 3.25Å; N109-L113 PolarHBondContact O-N 2.96Å; I111-L113 PolarHBondContact O-N 2.94Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.36Å; L113-I116 PolarHBondContact O-N 2.97Å; L113-V117 HydrophobicContact CD1-CG2 3.81Å; L113-V117 HydrophobicContact CG-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.21Å; L113-V117 PolarHBondContact O-N 3.48Å
114C91.4Very high92.5Very high70 Ų7062.4 Ų62.447%0.47336%0.361SS..Hα-helixtrans-59.4-44.3178.1-176.90000111.5Q110 I111 S118Q110-C114 WeakPolarHBondContact O-CB 3.38Å; Q110-C114 PolarHBondContact O-N 3.45Å; I111-C114 PolarHBondContact O-N 2.7Å; C114-S118 WeakPolarHBondContact O-CB 3.31Å; C114-S118 PolarHBondContact O-N 3.4Å; C114-S118 PolarHBondContact O-OG 3.46Å
115L94.3Very high92.5Very high92 Ų9256.8 Ų56.848%0.48234%0.343SS..Hα-helixtrans-62.1-46.3177-71172.7000112.1I111 G112 L113 S119I111-L115 HydrophobicContact CG2-CD1 3.99Å; I111-L115 HydrophobicContact CG2-CG 4.4Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.99Å; G112-L115 PolarHBondContact O-N 3.29Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.36Å; L115-S119 VanDerWaalsContact O-CB 3.31Å; L115-S119 WeakPolarHBondContact O-CB 3.41Å; L115-S119 PolarHBondContact O-N 3.21Å; L115-S119 PolarHBondContact O-OG 3.33Å
116I91.4Very high92.8Very high35 Ų3554.7 Ų54.718%0.17933%0.325CS..Hα-helixtrans-65.4-49.4-178.7-70.6164.1000110.9I19 M22 L23 F26 G112 L113 S118 S119 A120I19-I116 HydrophobicContact CG2-CD1 4.48Å; M22-I116 HydrophobicContact CE-CB 4.31Å; M22-I116 HydrophobicContact CE-CD1 3.42Å; M22-I116 VanDerWaalsContact CE-CD1 3.42Å; M22-I116 HydrophobicContact CE-CG1 3.7Å; M22-I116 HydrophobicContact CE-CG2 3.61Å; L23-I116 HydrophobicContact CD2-CG1 3.92Å; L23-I116 HydrophobicContact CG-CG1 4.42Å; F26-I116 HydrophobicContact CE2-CG2 4.24Å; G112-I116 WeakPolarHBondContact O-CD1 3.29Å; G112-I116 VanDerWaalsContact O-CG1 3.29Å; G112-I116 WeakPolarHBondContact O-CG1 3.45Å; G112-I116 PolarHBondContact O-N 3.47Å; L113-I116 PolarHBondContact O-N 2.97Å; I116-S118 PolarHBondContact O-N 2.87Å; I116-S119 PolarHBondContact O-N 3.33Å; I116-A120 WeakPolarHBondContact O-CB 2.99Å; I116-A120 PolarHBondContact O-N 3.49Å
117V90.8Very high92.9Very high79 Ų7953.3 Ų53.348%0.47932%0.318SS..Hα-helixtrans-64.2-42.4-179.1172.90000110.8L113 A120 A121L113-V117 HydrophobicContact CD1-CG2 3.81Å; L113-V117 HydrophobicContact CG-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.21Å; L113-V117 PolarHBondContact O-N 3.48Å; V117-A120 PolarHBondContact O-N 3.39Å; V117-A121 WeakPolarHBondContact O-CB 3.41Å; V117-A121 PolarHBondContact O-N 3.06Å
118S92.9Very high93Very high62 Ų6249.8 Ų49.843%0.43430%0.303SS..Hα-helixtrans-63.8-43.2177.1-55.90000111.4C114 I116 A121 T122C114-S118 WeakPolarHBondContact O-CB 3.31Å; C114-S118 PolarHBondContact O-N 3.4Å; C114-S118 PolarHBondContact O-OG 3.46Å; I116-S118 PolarHBondContact O-N 2.87Å; S118-A121 PolarHBondContact O-N 2.6Å; S118-T122 WeakPolarHBondContact O-CG2 3.39Å; S118-T122 PolarHBondContact O-N 3.39Å; S118-T122 PolarHBondContact O-OG1 3.4Å
119S94.3Very high93Very high29 Ų2945.5 Ų45.520%0.20328%0.277CS..Hα-helixtrans-62.9-44.3177.4-56.20000111.6L115 I116 A121 T122 C123L115-S119 VanDerWaalsContact O-CB 3.31Å; L115-S119 WeakPolarHBondContact O-CB 3.41Å; L115-S119 PolarHBondContact O-N 3.21Å; L115-S119 PolarHBondContact O-OG 3.33Å; I116-S119 PolarHBondContact O-N 3.33Å; S119-A121 PolarHBondContact O-N 2.91Å; S119-T122 WeakPolarHBondContact CA-OG1 3.4Å; S119-T122 PolarHBondContact O-N 3.02Å; S119-T122 PolarHBondContact O-OG1 3.06Å; S119-C123 PolarHBondContact O-N 2.9Å; S119-C123 PolarHBondContact O-SG 3.43Å
120A92.8Very high93.2Very high34 Ų3446.2 Ų46.228%0.28128%0.276SS..Hα-helixtrans-62-43.1175.900000111.9F26 I116 V117 C123 G124F26-A120 HydrophobicContact CE1-CB 4.02Å; F26-A120 HydrophobicContact CE2-CB 4.39Å; F26-A120 HydrophobicContact CZ-CB 3.83Å; I116-A120 WeakPolarHBondContact O-CB 2.99Å; I116-A120 PolarHBondContact O-N 3.49Å; V117-A120 PolarHBondContact O-N 3.39Å; A120-C123 PolarHBondContact O-N 3.34Å; A120-G124 PolarHBondContact O-N 3.36Å
121A92.8Very high93.3Very high56 Ų5643 Ų4346%0.46326%0.26SS..Hα-helixtrans-61.8-44.3175.800000111.8V117 S118 S119 C123 G124 I125V117-A121 WeakPolarHBondContact O-CB 3.41Å; V117-A121 PolarHBondContact O-N 3.06Å; S118-A121 PolarHBondContact O-N 2.6Å; S119-A121 PolarHBondContact O-N 2.91Å; A121-C123 VanDerWaalsContact C-N 3.34Å; A121-C123 PolarHBondContact O-N 3.13Å; A121-G124 WeakPolarHBondContact O-CA 3.3Å; A121-G124 PolarHBondContact O-N 3.01Å; A121-G124 VanDerWaalsContact O-N 3.13Å; A121-I125 PolarHBondContact O-N 3.43Å
122T94.3Very high93.1Very high59 Ų5941.2 Ų41.236%0.36225%0.251SS..Hα-helixtrans-62.7-39.2175.454.20000112.7S118 S119 G124 I125 V126S118-T122 WeakPolarHBondContact O-CG2 3.39Å; S118-T122 PolarHBondContact O-N 3.39Å; S118-T122 PolarHBondContact O-OG1 3.4Å; S119-T122 WeakPolarHBondContact CA-OG1 3.4Å; S119-T122 PolarHBondContact O-N 3.02Å; S119-T122 PolarHBondContact O-OG1 3.06Å; T122-G124 VanDerWaalsContact C-N 3.31Å; T122-G124 PolarHBondContact O-N 2.95Å; T122-I125 PolarHBondContact O-N 2.93Å; T122-V126 WeakPolarHBondContact O-CG2 3.38Å; T122-V126 PolarHBondContact O-N 2.84Å; T122-V126 VanDerWaalsContact O-N 3.08Å
123C95.1Very high92.8Very high0 Ų044.7 Ų44.70%026%0.264CS..Hα-helixtrans-64.6-36.9173.7-660000111.6F26 I29 S119 A120 A121 I125 V126 M127 M149F26-C123 HydrophobicContact CD1-CB 4.41Å; F26-C123 PolarHBondContact O-SG 3.37Å; F26-C123 VanDerWaalsContact O-SG 3.39Å; I29-C123 HydrophobicContact CG2-CB 4.08Å; S119-C123 PolarHBondContact O-N 2.9Å; S119-C123 PolarHBondContact O-SG 3.43Å; A120-C123 PolarHBondContact O-N 3.34Å; A121-C123 VanDerWaalsContact C-N 3.34Å; A121-C123 PolarHBondContact O-N 3.13Å; C123-I125 VanDerWaalsContact C-N 3.33Å; C123-I125 PolarHBondContact O-N 3.07Å; C123-V126 PolarHBondContact O-N 3.35Å; C123-M127 VanDerWaalsContact O-CB 3.28Å; C123-M127 WeakPolarHBondContact O-CB 3.42Å; C123-M127 PolarHBondContact O-N 3.39Å; C123-M149 HydrophobicContact CB-CE 3.75Å; C123-M149 HydrophobicContact CB-SD 4.49Å
124G94.1Very high92.7Very high25 Ų2543.7 Ų43.726%0.25826%0.26SS..Hα-helixtrans-61.8-37.8173.600000113.2A120 A121 T122 F128A120-G124 PolarHBondContact O-N 3.36Å; A121-G124 WeakPolarHBondContact O-CA 3.3Å; A121-G124 PolarHBondContact O-N 3.01Å; A121-G124 VanDerWaalsContact O-N 3.13Å; T122-G124 VanDerWaalsContact C-N 3.31Å; T122-G124 PolarHBondContact O-N 2.95Å; G124-F128 PolarHBondContact O-N 3.39Å
125I94.4Very high92.6Very high50 Ų5040.8 Ų40.826%0.25624%0.24SC..Hα-helixtrans-66.1-46.5174.4-65.8162.2000110.9V43 A47 L53 A121 T122 C123 M127 F128 A129V43-I125 HydrophobicContact CG1-CG2 4.08Å; A47-I125 HydrophobicContact CB-CG2 3.62Å; L53-I125 HydrophobicContact CD2-CD1 3.74Å; L53-I125 HydrophobicContact CD2-CG1 4.35Å; A121-I125 PolarHBondContact O-N 3.43Å; T122-I125 PolarHBondContact O-N 2.93Å; C123-I125 VanDerWaalsContact C-N 3.33Å; C123-I125 PolarHBondContact O-N 3.07Å; I125-M127 VanDerWaalsContact C-N 3.32Å; I125-M127 PolarHBondContact O-N 2.9Å; I125-F128 PolarHBondContact O-N 2.78Å; I125-A129 PolarHBondContact O-N 3.22Å
126V96.1Very high92.4Very high1 Ų136.4 Ų36.41%0.00622%0.217CC..Hα-helixtrans-60.8-43.5176.9175.60000110.8F30 G33 V43 T122 C123 F128 A129 Y130 F152F30-V126 HydrophobicContact CD2-CG2 3.75Å; F30-V126 HydrophobicContact CE2-CG2 3.96Å; G33-V126 VanDerWaalsContact C-CG1 3.41Å; V43-V126 HydrophobicContact CG1-CG2 4.06Å; T122-V126 WeakPolarHBondContact O-CG2 3.38Å; T122-V126 PolarHBondContact O-N 2.84Å; T122-V126 VanDerWaalsContact O-N 3.08Å; C123-V126 PolarHBondContact O-N 3.35Å; V126-F128 PolarHBondContact O-N 2.88Å; V126-A129 PolarHBondContact O-N 3.43Å; V126-Y130 PolarHBondContact O-N 2.97Å; V126-F152 HydrophobicContact CG1-CZ 4.2Å
127M95.2Very high92.3Very high30 Ų3037.3 Ų37.315%0.14822%0.221CC..Hα-helixtrans-60.9-43.7176.3-179.1-172.67900111.9C123 I125 A129 Y130 Y131 Y148 F152C123-M127 VanDerWaalsContact O-CB 3.28Å; C123-M127 WeakPolarHBondContact O-CB 3.42Å; C123-M127 PolarHBondContact O-N 3.39Å; I125-M127 VanDerWaalsContact C-N 3.32Å; I125-M127 PolarHBondContact O-N 2.9Å; M127-A129 VanDerWaalsContact C-N 3.35Å; M127-Y130 PolarHBondContact O-N 3.46Å; M127-Y131 HydrophobicContact CG-CD2 3.88Å; M127-Y131 HydrophobicContact CG-CE2 4.1Å; M127-Y131 WeakPolarHBondContact O-CD2 3.47Å; M127-Y131 PolarHBondContact O-N 2.67Å; M127-Y148 HydrophobicContact CE-CD1 4.41Å; M127-Y148 HydrophobicContact CE-CG 4.14Å; M127-F152 HydrophobicContact CB-CD1 3.84Å; M127-F152 HydrophobicContact CB-CD2 4.43Å; M127-F152 HydrophobicContact CB-CE1 3.88Å; M127-F152 HydrophobicContact CB-CE2 4.46Å; M127-F152 HydrophobicContact CB-CG 4.13Å; M127-F152 HydrophobicContact CB-CZ 4.2Å; M127-F152 HydrophobicContact CG-CB 4.01Å; M127-F152 HydrophobicContact CG-CD1 3.94Å; M127-F152 HydrophobicContact CG-CD2 4.06Å; M127-F152 HydrophobicContact CG-CE1 4.41Å; M127-F152 HydrophobicContact CG-CG 3.74Å; M127-F152 HydrophobicContact SD-CB 4.11Å; M127-F152 HydrophobicContact SD-CD1 4.5Å; M127-F152 HydrophobicContact SD-CG 4.39Å
128F93.5Very high92Very high42 Ų4239.5 Ų39.518%0.18423%0.225CC..Hα-helixtrans-60.1-45.2173.6169.1-96.9000111.5I46 R52 G124 I125 V126 Y130 Y131 N132I46-F128 HydrophobicContact CG2-CE1 4.18Å; R52-F128 HydrophobicContact CB-CD1 4.42Å; R52-F128 HydrophobicContact CB-CE1 4.46Å; R52-F128 HydrophobicContact CG-CD1 3.63Å; R52-F128 HydrophobicContact CG-CD2 4.06Å; R52-F128 HydrophobicContact CG-CE1 3.49Å; R52-F128 VanDerWaalsContact CG-CE1 3.49Å; R52-F128 HydrophobicContact CG-CE2 3.94Å; R52-F128 HydrophobicContact CG-CG 3.91Å; R52-F128 HydrophobicContact CG-CZ 3.65Å; G124-F128 PolarHBondContact O-N 3.39Å; I125-F128 PolarHBondContact O-N 2.78Å; V126-F128 PolarHBondContact O-N 2.88Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.4Å; F128-Y131 CarbonylContact O-C 3.54Å; F128-Y131 PolarHBondContact O-N 3.35Å; F128-N132 WeakPolarHBondContact O-CA 3.4Å; F128-N132 WeakPolarHBondContact O-CB 3.46Å; F128-N132 PolarHBondContact O-N 2.96Å
129A93.7Very high91.8Very high3 Ų337.8 Ų37.83%0.02521%0.213CC..Hα-helixtrans-62.7-36.1179.900000112.3V37 V43 I46 I125 V126 M127V37-A129 HydrophobicContact CG1-CB 4.15Å; V37-A129 HydrophobicContact CG2-CB 4.3Å; V43-A129 HydrophobicContact CB-CB 4.28Å; V43-A129 HydrophobicContact CG1-CB 3.98Å; V43-A129 HydrophobicContact CG2-CB 4.27Å; I46-A129 HydrophobicContact CB-CB 4.19Å; I46-A129 HydrophobicContact CD1-CB 4.43Å; I46-A129 HydrophobicContact CG2-CB 4.02Å; I125-A129 PolarHBondContact O-N 3.22Å; V126-A129 PolarHBondContact O-N 3.43Å; M127-A129 VanDerWaalsContact C-N 3.35Å
130Y93.9Very high91.4Very high72 Ų7239.3 Ų39.328%0.28223%0.233SC..Hα-helixtrans-70-38.8176.2-176.4-97.4000113.3L36 V37 V126 M127 F128 F152 D155L36-Y130 HydrophobicContact CB-CD2 4.12Å; L36-Y130 HydrophobicContact CB-CE2 3.94Å; L36-Y130 HydrophobicContact CD1-CE2 4.11Å; V37-Y130 HydrophobicContact CG2-CD2 4.2Å; V126-Y130 PolarHBondContact O-N 2.97Å; M127-Y130 PolarHBondContact O-N 3.46Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.4Å; Y130-F152 HydrophobicContact CD1-CD2 4.05Å; Y130-F152 AromaticContact CD1-CE2 3.68Å; Y130-F152 HydrophobicContact CD1-CE2 3.68Å; Y130-F152 HydrophobicContact CE1-CE2 4.34Å; Y130-F152 AromaticContact CG-CE2 3.78Å; Y130-F152 HydrophobicContact CG-CE2 3.78Å; Y130-D155 WeakPolarHBondContact CE1-OD2 3.38Å; Y130-D155 PolarHBondContact OH-OD2 3.49Å
131Y93Very high91.2Very high20 Ų2042.8 Ų42.88%0.07824%0.239CC..THydrogen-bonded Turntrans-99.416.2-179.4-67.2-54.9000114.4M127 F128 L133 C134 P136 Y151 F152 D155M127-Y131 HydrophobicContact CG-CD2 3.88Å; M127-Y131 HydrophobicContact CG-CE2 4.1Å; M127-Y131 WeakPolarHBondContact O-CD2 3.47Å; M127-Y131 PolarHBondContact O-N 2.67Å; F128-Y131 CarbonylContact O-C 3.54Å; F128-Y131 PolarHBondContact O-N 3.35Å; Y131-L133 VanDerWaalsContact C-N 3.25Å; Y131-L133 PolarHBondContact O-N 3.08Å; Y131-L133 VanDerWaalsContact O-N 3.16Å; Y131-C134 WeakPolarHBondContact CB-O 3.49Å; Y131-C134 WeakPolarHBondContact CD1-O 3.24Å; Y131-C134 CarbonylContact O-C 3.6Å; Y131-C134 VanDerWaalsContact O-C 3.26Å; Y131-C134 PolarHBondContact O-N 2.86Å; Y131-C134 VanDerWaalsContact O-N 3.16Å; Y131-P136 HydrophobicContact CD1-CG 4.35Å; Y131-P136 HydrophobicContact CD2-CG 4.1Å; Y131-P136 HydrophobicContact CE2-CG 4.23Å; Y131-P136 HydrophobicContact CG-CG 4.17Å; Y131-Y151 HydrophobicContact CE1-CE1 4.29Å; Y131-Y151 HydrophobicContact CE2-CD1 4.5Å; Y131-Y151 AromaticContact CZ-CE1 3.92Å; Y131-Y151 WeakPolarHBondContact OH-CD1 3.34Å; Y131-Y151 WeakPolarHBondContact OH-CE1 3.36Å; Y131-F152 HydrophobicContact CD2-CD2 4.39Å; Y131-F152 HydrophobicContact CE2-CB 4.07Å; Y131-F152 AromaticContact CE2-CD2 3.56Å; Y131-F152 HydrophobicContact CE2-CD2 3.56Å; Y131-F152 HydrophobicContact CE2-CE2 4.42Å; Y131-F152 HydrophobicContact CE2-CG 4.19Å; Y131-D155 WeakPolarHBondContact OH-CB 3.44Å; Y131-D155 PolarHBondContact OH-OD2 3.33Å
132N88.7Confident91Very high43 Ų4340.7 Ų40.723%0.2322%0.219CC..SBendtrans-57.3-35.9-17267.8-12.5000113.9I46 F128I46-N132 HydrophobicContact CG2-CB 3.84Å; I46-N132 VanDerWaalsContact CG2-ND2 3.3Å; I46-N132 WeakPolarHBondContact CG2-ND2 3.39Å; F128-N132 WeakPolarHBondContact O-CA 3.4Å; F128-N132 WeakPolarHBondContact O-CB 3.46Å; F128-N132 PolarHBondContact O-N 2.96Å
133L86.6Confident90.6Very high98 Ų9843.5 Ų43.551%0.51324%0.241SC..SBendtrans-99.4-16.3-178.8-68.5172.5000113Y131 F303 T304 D305 G306Y131-L133 VanDerWaalsContact C-N 3.25Å; Y131-L133 PolarHBondContact O-N 3.08Å; Y131-L133 VanDerWaalsContact O-N 3.16Å; L133-F303 CarbonylContact C-O 3.5Å; L133-T304 CarbonylContact O-C 3.51Å; L133-T304 VanDerWaalsContact O-C 3.3Å; L133-T304 WeakPolarHBondContact O-CA 3.2Å; L133-D305 PolarHBondContact O-N 3.08Å; L133-G306 WeakPolarHBondContact O-CA 3.39Å; L133-G306 PolarHBondContact O-N 3.4Å
134C87.9Confident90.1Very high17 Ų1745.1 Ų45.112%0.11526%0.255CS..  trans-139.489.7179-1760000111.1Y131 P136 C307Y131-C134 WeakPolarHBondContact CB-O 3.49Å; Y131-C134 WeakPolarHBondContact CD1-O 3.24Å; Y131-C134 CarbonylContact O-C 3.6Å; Y131-C134 VanDerWaalsContact O-C 3.26Å; Y131-C134 PolarHBondContact O-N 2.86Å; Y131-C134 VanDerWaalsContact O-N 3.16Å; C134-P136 WeakPolarHBondContact O-CD 2.98Å; C134-C307 WeakPolarHBondContact CA-SG 3.37Å; C134-C307 HydrophobicContact CB-CB 4.06Å; C134-C307 WeakPolarHBondContact CB-SG 3.36Å; C134-C307 WeakPolarHBondContact SG-CA 3.45Å; C134-C307 WeakPolarHBondContact SG-CB 3.46Å; C134-C307 CovalentContact SG-SG 2.04Å; C134-C307 PolarHBondContact SG-SG 3.34Å
135D89.9Confident89.7Confident10 Ų1047.1 Ų47.15%0.05326%0.263CS..  trans-65.9117.4173.6-176.3-22000110.6L137 K138 S139 Y148 S302 F303D135-L137 VanDerWaalsContact C-N 3.25Å; D135-L137 PolarHBondContact O-N 3.25Å; D135-L137 VanDerWaalsContact OD1-CB 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.15Å; D135-L137 PolarHBondContact OD1-N 2.77Å; D135-K138 HydrophobicContact CB-CB 4.18Å; D135-K138 HydrophobicContact CB-CG 4.44Å; D135-K138 PolarHBondContact O-N 3.49Å; D135-K138 PolarHBondContact OD1-N 3.18Å; D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.35Å; D135-S139 PolarHBondContact O-OG 3.01Å; D135-Y148 PolarHBondContact OD1-OH 3.49Å; D135-S302 WeakPolarHBondContact OD2-CB 3.01Å; D135-S302 PolarHBondContact OD2-OG 2.82Å; D135-F303 WeakPolarHBondContact CB-O 3.5Å; D135-F303 PolarHBondContact N-O 3.47Å
136P89.1Confident89.2Confident0 Ų048.7 Ų48.70%027%0.272CS..THydrogen-bonded Turntrans-65.6-2518026.3-34.2000113.3Y131 C134 S139 G140 R141 I142 Y148 Y151Y131-P136 HydrophobicContact CD1-CG 4.35Å; Y131-P136 HydrophobicContact CD2-CG 4.1Å; Y131-P136 HydrophobicContact CE2-CG 4.23Å; Y131-P136 HydrophobicContact CG-CG 4.17Å; C134-P136 WeakPolarHBondContact O-CD 2.98Å; P136-S139 VanDerWaalsContact CA-OG 3.28Å; P136-S139 WeakPolarHBondContact CA-OG 3.46Å; P136-S139 PolarHBondContact O-OG 3.35Å; P136-G140 PolarHBondContact O-N 3.22Å; P136-R141 HydrophobicContact CB-CB 4.16Å; P136-R141 WeakPolarHBondContact O-CA 3.47Å; P136-R141 WeakPolarHBondContact O-CB 3.35Å; P136-R141 PolarHBondContact O-N 3Å; P136-I142 HydrophobicContact CB-CD1 4.35Å; P136-I142 HydrophobicContact CB-CG1 4.26Å; P136-I142 HydrophobicContact CB-CG2 4.49Å; P136-I142 HydrophobicContact CG-CD1 4.15Å; P136-I142 PolarHBondContact O-N 3.3Å; P136-I142 VanDerWaalsContact O-N 3.09Å; P136-Y148 HydrophobicContact CG-CD1 3.71Å; P136-Y148 HydrophobicContact CG-CE1 3.56Å; P136-Y151 HydrophobicContact CB-CD1 4.02Å; P136-Y151 HydrophobicContact CB-CE1 3.86Å; P136-Y151 HydrophobicContact CG-CD1 4.39Å
137L88.4Confident88.9Confident53 Ų5352.5 Ų52.528%0.27729%0.292SS..THydrogen-bonded Turntrans-73.9-51.7177.1-175.766.6000110.4D135 S139 G140 I142 P145 Y148D135-L137 VanDerWaalsContact C-N 3.25Å; D135-L137 PolarHBondContact O-N 3.25Å; D135-L137 VanDerWaalsContact OD1-CB 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.15Å; D135-L137 PolarHBondContact OD1-N 2.77Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.04Å; L137-G140 PolarHBondContact O-N 2.8Å; L137-G140 VanDerWaalsContact O-N 3.08Å; L137-I142 VanDerWaalsContact CA-CG1 3.49Å; L137-I142 HydrophobicContact CB-CD1 4.04Å; L137-I142 HydrophobicContact CB-CG1 3.9Å; L137-I142 HydrophobicContact CD1-CD1 4.36Å; L137-I142 HydrophobicContact CD1-CG1 3.93Å; L137-P145 HydrophobicContact CD2-CG 4.03Å; L137-Y148 HydrophobicContact CB-CE1 4.23Å; L137-Y148 WeakPolarHBondContact CB-OH 3.38Å; L137-Y148 HydrophobicContact CD2-CE2 4.34Å
138K86.2Confident88.7Confident126 Ų12653.5 Ų53.555%0.54830%0.295SS..THydrogen-bonded Turntrans-68.1-28.8179.9-70.3-175.6174.91740113.2D135 G140 S302 T304D135-K138 HydrophobicContact CB-CB 4.18Å; D135-K138 HydrophobicContact CB-CG 4.44Å; D135-K138 PolarHBondContact O-N 3.49Å; D135-K138 PolarHBondContact OD1-N 3.18Å; K138-G140 PolarHBondContact O-N 3.23Å; K138-S302 WeakPolarHBondContact CD-OG 3.28Å; K138-S302 WeakPolarHBondContact CE-OG 3.33Å; K138-S302 PolarHBondContact NZ-O 2.96Å; K138-S302 PolarHBondContact NZ-OG 3.45Å; K138-T304 HydrophobicContact CB-CG2 3.42Å; K138-T304 VanDerWaalsContact CB-CG2 3.42Å; K138-T304 HydrophobicContact CD-CG2 4.29Å
139S87.1Confident88.6Confident26 Ų2653.6 Ų53.618%0.18230%0.296CS..THydrogen-bonded Turntrans-79.1-2.4173.4600000114.2D135 P136 L137 R141 C307D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.35Å; D135-S139 PolarHBondContact O-OG 3.01Å; P136-S139 VanDerWaalsContact CA-OG 3.28Å; P136-S139 WeakPolarHBondContact CA-OG 3.46Å; P136-S139 PolarHBondContact O-OG 3.35Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.04Å; S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 PolarHBondContact O-N 3.12Å; S139-C307 VanDerWaalsContact CB-SG 3.58Å
140G86.4Confident88.6Confident61 Ų6155.1 Ų55.163%0.62931%0.306SS*.THydrogen-bonded Turntrans74.814178.200000114.7P136 L137 K138P136-G140 PolarHBondContact O-N 3.22Å; L137-G140 PolarHBondContact O-N 2.8Å; L137-G140 VanDerWaalsContact O-N 3.08Å; K138-G140 PolarHBondContact O-N 3.23Å
141R87.9Confident88.5Confident107 Ų10754.5 Ų54.540%0.40430%0.304SS..SBendtrans-75.2-27.6174.9-63.7178.5179.2-177.33.3112.1P136 S139 Y151P136-R141 HydrophobicContact CB-CB 4.16Å; P136-R141 WeakPolarHBondContact O-CA 3.47Å; P136-R141 WeakPolarHBondContact O-CB 3.35Å; P136-R141 PolarHBondContact O-N 3Å; S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 PolarHBondContact O-N 3.12Å; R141-Y151 HydrophobicContact CB-CE2 4.42Å; R141-Y151 WeakPolarHBondContact CD-OH 3.28Å
142I90.1Very high88.6Confident11 Ų1153.6 Ų53.66%0.05630%0.3CS..  trans-125.3148.4169.964.3176.9000110.1P136 L137 L147 Y148 Y151P136-I142 HydrophobicContact CB-CD1 4.35Å; P136-I142 HydrophobicContact CB-CG1 4.26Å; P136-I142 HydrophobicContact CB-CG2 4.49Å; P136-I142 HydrophobicContact CG-CD1 4.15Å; P136-I142 PolarHBondContact O-N 3.3Å; P136-I142 VanDerWaalsContact O-N 3.09Å; L137-I142 VanDerWaalsContact CA-CG1 3.49Å; L137-I142 HydrophobicContact CB-CD1 4.04Å; L137-I142 HydrophobicContact CB-CG1 3.9Å; L137-I142 HydrophobicContact CD1-CD1 4.36Å; L137-I142 HydrophobicContact CD1-CG1 3.93Å; I142-L147 HydrophobicContact CB-CB 4.19Å; I142-L147 HydrophobicContact CG2-CB 4.26Å; I142-Y148 HydrophobicContact CD1-CD1 3.53Å; I142-Y148 HydrophobicContact CD1-CD2 4.27Å; I142-Y148 HydrophobicContact CD1-CE1 3.7Å; I142-Y148 HydrophobicContact CD1-CE2 4.36Å; I142-Y148 HydrophobicContact CD1-CG 3.81Å; I142-Y151 HydrophobicContact CG2-CD1 4.15Å; I142-Y151 HydrophobicContact CG2-CD2 3.82Å; I142-Y151 HydrophobicContact CG2-CG 3.59Å
143S85.6Confident88.8Confident118 Ų11851.6 Ų51.683%0.82529%0.29SS*.SBendtrans-94.3-15.4-178.4-49.60000113.9
144A84.8Confident89.1Confident34 Ų3451.2 Ų51.228%0.28129%0.288SS..SBendtrans-146.3148.3-175.600000111.6D146 L147A144-D146 VanDerWaalsContact C-N 3.27Å; A144-D146 PolarHBondContact O-N 3.36Å; A144-L147 HydrophobicContact CB-CD1 4.34Å; A144-L147 HydrophobicContact CB-CG 4.41Å; A144-L147 WeakPolarHBondContact O-CB 3.35Å; A144-L147 PolarHBondContact O-N 3.29Å
145P84.7Confident89.4Confident67 Ų6752.5 Ų52.544%0.43529%0.293SS..G310 helixtrans-59-33.5178-23.933.4000113.8L137 L147 Y148L137-P145 HydrophobicContact CD2-CG 4.03Å; P145-L147 PolarHBondContact O-N 3.1Å; P145-Y148 HydrophobicContact CB-CD2 4.25Å; P145-Y148 HydrophobicContact CB-CE2 4.05Å; P145-Y148 WeakPolarHBondContact O-CD2 3.15Å; P145-Y148 PolarHBondContact O-N 2.7Å; P145-Y148 VanDerWaalsContact O-N 3.13Å
146D85.2Confident89.6Confident83 Ų8352.3 Ų52.344%0.44429%0.292SS..G310 helixtrans-66.3-11.4-178.2-59.4-60.1000113.1A144 V236A144-D146 VanDerWaalsContact C-N 3.27Å; A144-D146 PolarHBondContact O-N 3.36Å; D146-V236 WeakPolarHBondContact OD2-CG2 3.39Å
147L89.4Confident89.8Confident81 Ų8153 Ų5342%0.42430%0.295SS..G310 helixtrans-90.2-3.8178.3-60.5175.8000114.1I142 A144 P145 M149 P150 Y151I142-L147 HydrophobicContact CB-CB 4.19Å; I142-L147 HydrophobicContact CG2-CB 4.26Å; A144-L147 HydrophobicContact CB-CD1 4.34Å; A144-L147 HydrophobicContact CB-CG 4.41Å; A144-L147 WeakPolarHBondContact O-CB 3.35Å; A144-L147 PolarHBondContact O-N 3.29Å; P145-L147 PolarHBondContact O-N 3.1Å; L147-M149 PolarHBondContact O-N 2.91Å; L147-P150 WeakPolarHBondContact O-CD 3.22Å; L147-Y151 WeakPolarHBondContact O-CB 3.5Å; L147-Y151 PolarHBondContact O-N 2.84Å
148Y91.4Very high89.9Confident52 Ų5254.4 Ų54.420%0.20431%0.309CS..Hα-helixtrans-54-54.6179.6-85.7-63.7000112.5M127 D135 P136 L137 I142 P145 Y151 F152M127-Y148 HydrophobicContact CE-CD1 4.41Å; M127-Y148 HydrophobicContact CE-CG 4.14Å; D135-Y148 PolarHBondContact OD1-OH 3.49Å; P136-Y148 HydrophobicContact CG-CD1 3.71Å; P136-Y148 HydrophobicContact CG-CE1 3.56Å; L137-Y148 HydrophobicContact CB-CE1 4.23Å; L137-Y148 WeakPolarHBondContact CB-OH 3.38Å; L137-Y148 HydrophobicContact CD2-CE2 4.34Å; I142-Y148 HydrophobicContact CD1-CD1 3.53Å; I142-Y148 HydrophobicContact CD1-CD2 4.27Å; I142-Y148 HydrophobicContact CD1-CE1 3.7Å; I142-Y148 HydrophobicContact CD1-CE2 4.36Å; I142-Y148 HydrophobicContact CD1-CG 3.81Å; P145-Y148 HydrophobicContact CB-CD2 4.25Å; P145-Y148 HydrophobicContact CB-CE2 4.05Å; P145-Y148 WeakPolarHBondContact O-CD2 3.15Å; P145-Y148 PolarHBondContact O-N 2.7Å; P145-Y148 VanDerWaalsContact O-N 3.13Å; Y148-Y151 PolarHBondContact O-N 2.94Å; Y148-F152 VanDerWaalsContact O-CB 3.27Å; Y148-F152 WeakPolarHBondContact O-CB 3.22Å; Y148-F152 PolarHBondContact O-N 3.29Å
149M91.7Very high90.1Very high43 Ų4355.1 Ų55.121%0.21232%0.319CS..Hα-helixtrans-67.1-48.3-176.3-177.27278.700112.3C123 L147 Y151 F152 V153 F167C123-M149 HydrophobicContact CB-CE 3.75Å; C123-M149 HydrophobicContact CB-SD 4.49Å; L147-M149 PolarHBondContact O-N 2.91Å; M149-Y151 VanDerWaalsContact C-N 3.32Å; M149-Y151 PolarHBondContact O-N 2.83Å; M149-F152 PolarHBondContact O-N 3.28Å; M149-F152 HydrophobicContact SD-CD1 4.42Å; M149-V153 WeakPolarHBondContact O-CG2 3.36Å; M149-V153 PolarHBondContact O-N 3.16Å; M149-F167 HydrophobicContact CG-CE1 4.22Å; M149-F167 HydrophobicContact CG-CZ 4.01Å
150P91.9Very high90.2Very high36 Ų3658.8 Ų58.823%0.23433%0.333CS..Hα-helixtrans-53.5-45.2172.1-30.737.4000114L147 V153 L154 L168L147-P150 WeakPolarHBondContact O-CD 3.22Å; P150-V153 PolarHBondContact O-N 2.95Å; P150-L154 WeakPolarHBondContact O-CG 3.49Å; P150-L154 PolarHBondContact O-N 3.14Å; P150-L154 VanDerWaalsContact O-N 3.16Å; P150-L168 HydrophobicContact CB-CD2 4.1Å; P150-L168 HydrophobicContact CG-CD2 4.42Å
151Y93.4Very high90.1Very high59 Ų5961.8 Ų61.823%0.23134%0.342CS..Hα-helixtrans-65-44.9178.8-178.9-99.4000111.5Y131 P136 R141 I142 L147 Y148 M149 V153 L154 D155Y131-Y151 HydrophobicContact CE1-CE1 4.29Å; Y131-Y151 HydrophobicContact CE2-CD1 4.5Å; Y131-Y151 AromaticContact CZ-CE1 3.92Å; Y131-Y151 WeakPolarHBondContact OH-CD1 3.34Å; Y131-Y151 WeakPolarHBondContact OH-CE1 3.36Å; P136-Y151 HydrophobicContact CB-CD1 4.02Å; P136-Y151 HydrophobicContact CB-CE1 3.86Å; P136-Y151 HydrophobicContact CG-CD1 4.39Å; R141-Y151 HydrophobicContact CB-CE2 4.42Å; R141-Y151 WeakPolarHBondContact CD-OH 3.28Å; I142-Y151 HydrophobicContact CG2-CD1 4.15Å; I142-Y151 HydrophobicContact CG2-CD2 3.82Å; I142-Y151 HydrophobicContact CG2-CG 3.59Å; L147-Y151 WeakPolarHBondContact O-CB 3.5Å; L147-Y151 PolarHBondContact O-N 2.84Å; Y148-Y151 PolarHBondContact O-N 2.94Å; M149-Y151 VanDerWaalsContact C-N 3.32Å; M149-Y151 PolarHBondContact O-N 2.83Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3.38Å; Y151-L154 WeakPolarHBondContact O-CB 3.45Å; Y151-L154 PolarHBondContact O-N 3.41Å; Y151-L154 VanDerWaalsContact O-N 3.14Å; Y151-D155 WeakPolarHBondContact O-CB 3.5Å; Y151-D155 PolarHBondContact O-N 3.38Å
152F94.1Very high90.1Very high0 Ų059.2 Ų59.20%035%0.348CS..Hα-helixtrans-57.9-44.4177.6-178.1-127.2000112.2I29 V126 M127 Y130 Y131 Y148 M149 L154 D155 I156I29-F152 HydrophobicContact CG2-CD1 4.07Å; I29-F152 HydrophobicContact CG2-CE1 3.67Å; V126-F152 HydrophobicContact CG1-CZ 4.2Å; M127-F152 HydrophobicContact CB-CD1 3.84Å; M127-F152 HydrophobicContact CB-CD2 4.43Å; M127-F152 HydrophobicContact CB-CE1 3.88Å; M127-F152 HydrophobicContact CB-CE2 4.46Å; M127-F152 HydrophobicContact CB-CG 4.13Å; M127-F152 HydrophobicContact CB-CZ 4.2Å; M127-F152 HydrophobicContact CG-CB 4.01Å; M127-F152 HydrophobicContact CG-CD1 3.94Å; M127-F152 HydrophobicContact CG-CD2 4.06Å; M127-F152 HydrophobicContact CG-CE1 4.41Å; M127-F152 HydrophobicContact CG-CG 3.74Å; M127-F152 HydrophobicContact SD-CB 4.11Å; M127-F152 HydrophobicContact SD-CD1 4.5Å; M127-F152 HydrophobicContact SD-CG 4.39Å; Y130-F152 HydrophobicContact CD1-CD2 4.05Å; Y130-F152 AromaticContact CD1-CE2 3.68Å; Y130-F152 HydrophobicContact CD1-CE2 3.68Å; Y130-F152 HydrophobicContact CE1-CE2 4.34Å; Y130-F152 AromaticContact CG-CE2 3.78Å; Y130-F152 HydrophobicContact CG-CE2 3.78Å; Y131-F152 HydrophobicContact CD2-CD2 4.39Å; Y131-F152 HydrophobicContact CE2-CB 4.07Å; Y131-F152 AromaticContact CE2-CD2 3.56Å; Y131-F152 HydrophobicContact CE2-CD2 3.56Å; Y131-F152 HydrophobicContact CE2-CE2 4.42Å; Y131-F152 HydrophobicContact CE2-CG 4.19Å; Y148-F152 VanDerWaalsContact O-CB 3.27Å; Y148-F152 WeakPolarHBondContact O-CB 3.22Å; Y148-F152 PolarHBondContact O-N 3.29Å; M149-F152 PolarHBondContact O-N 3.28Å; M149-F152 HydrophobicContact SD-CD1 4.42Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 2.92Å; F152-D155 PolarHBondContact O-N 2.84Å; F152-I156 HydrophobicContact CD1-CD1 4.16Å; F152-I156 HydrophobicContact CD2-CG2 3.68Å; F152-I156 HydrophobicContact CE1-CD1 3.8Å; F152-I156 HydrophobicContact CE2-CD1 4.32Å; F152-I156 HydrophobicContact CE2-CG2 3.29Å; F152-I156 HydrophobicContact CG-CG2 4.48Å; F152-I156 HydrophobicContact CZ-CD1 3.89Å; F152-I156 HydrophobicContact CZ-CG2 3.82Å; F152-I156 WeakPolarHBondContact O-CG1 3.45Å; F152-I156 WeakPolarHBondContact O-CG2 3.27Å; F152-I156 PolarHBondContact O-N 3.38Å
153V94.1Very high90Very high2 Ų261 Ų611%0.01236%0.356CS..Hα-helixtrans-62.9-41.2177174.90000111.6I29 M149 P150 Y151 D155 F157 F163 P164 F167I29-V153 HydrophobicContact CD1-CG2 3.45Å; I29-V153 VanDerWaalsContact CD1-CG2 3.45Å; I29-V153 HydrophobicContact CG1-CG2 3.91Å; M149-V153 WeakPolarHBondContact O-CG2 3.36Å; M149-V153 PolarHBondContact O-N 3.16Å; P150-V153 PolarHBondContact O-N 2.95Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3.38Å; V153-D155 VanDerWaalsContact C-N 3.32Å; V153-F157 HydrophobicContact CG1-CD2 4.17Å; V153-F157 WeakPolarHBondContact O-CB 3.26Å; V153-F157 PolarHBondContact O-N 2.92Å; V153-F163 HydrophobicContact CG1-CD1 4.06Å; V153-F163 HydrophobicContact CG1-CE1 4.03Å; V153-P164 HydrophobicContact CG1-CB 4.06Å; V153-P164 HydrophobicContact CG1-CG 4.29Å; V153-F167 HydrophobicContact CB-CD1 4.31Å; V153-F167 HydrophobicContact CG1-CB 4.16Å; V153-F167 HydrophobicContact CG1-CD1 4.12Å; V153-F167 HydrophobicContact CG1-CG 4.18Å; V153-F167 HydrophobicContact CG2-CD1 3.89Å; V153-F167 HydrophobicContact CG2-CE1 3.84Å; V153-F167 HydrophobicContact CG2-CG 4.29Å; V153-F167 HydrophobicContact CG2-CZ 4.2Å
154L92.9Very high90.2Very high90 Ų9056 Ų5647%0.47132%0.32SS..Hα-helixtrans-63.8-39176.3-72.4165.7000112P150 Y151 F152 S158 P164P150-L154 WeakPolarHBondContact O-CG 3.49Å; P150-L154 PolarHBondContact O-N 3.14Å; P150-L154 VanDerWaalsContact O-N 3.16Å; Y151-L154 WeakPolarHBondContact O-CB 3.45Å; Y151-L154 PolarHBondContact O-N 3.41Å; Y151-L154 VanDerWaalsContact O-N 3.14Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 2.92Å; L154-S158 PolarHBondContact O-N 3.45Å; L154-P164 HydrophobicContact CD2-CB 3.53Å; L154-P164 HydrophobicContact CD2-CG 4.14Å; L154-P164 HydrophobicContact CG-CB 4.24Å
155D93Very high90.5Very high43 Ų4356.5 Ų56.523%0.2333%0.33CS..Hα-helixtrans-69.7-55.4-177.4-164.113.9000111.4Y130 Y131 Y151 F152 V153 F157 S158Y130-D155 WeakPolarHBondContact CE1-OD2 3.38Å; Y130-D155 PolarHBondContact OH-OD2 3.49Å; Y131-D155 WeakPolarHBondContact OH-CB 3.44Å; Y131-D155 PolarHBondContact OH-OD2 3.33Å; Y151-D155 WeakPolarHBondContact O-CB 3.5Å; Y151-D155 PolarHBondContact O-N 3.38Å; F152-D155 PolarHBondContact O-N 2.84Å; V153-D155 VanDerWaalsContact C-N 3.32Å; D155-F157 VanDerWaalsContact C-N 3.31Å; D155-F157 PolarHBondContact O-N 3.03Å; D155-S158 WeakPolarHBondContact O-CB 3.28Å; D155-S158 PolarHBondContact O-N 2.99Å; D155-S158 PolarHBondContact O-OG 2.73Å
156I94.2Very high90.8Very high6 Ų657.7 Ų57.73%0.03133%0.332CS..Hα-helixtrans-72-22.6-174.872.6-174.8000113.9I29 Q32 L36 F152I29-I156 HydrophobicContact CG2-CD1 4.1Å; Q32-I156 HydrophobicContact CG-CB 4.21Å; Q32-I156 HydrophobicContact CG-CG1 4.29Å; Q32-I156 PolarHBondContact NE2-O 2.99Å; L36-I156 HydrophobicContact CD1-CB 3.6Å; L36-I156 HydrophobicContact CD1-CG2 3.6Å; F152-I156 HydrophobicContact CD1-CD1 4.16Å; F152-I156 HydrophobicContact CD2-CG2 3.68Å; F152-I156 HydrophobicContact CE1-CD1 3.8Å; F152-I156 HydrophobicContact CE2-CD1 4.32Å; F152-I156 HydrophobicContact CE2-CG2 3.29Å; F152-I156 HydrophobicContact CG-CG2 4.48Å; F152-I156 HydrophobicContact CZ-CD1 3.89Å; F152-I156 HydrophobicContact CZ-CG2 3.82Å; F152-I156 WeakPolarHBondContact O-CG1 3.45Å; F152-I156 WeakPolarHBondContact O-CG2 3.27Å; F152-I156 PolarHBondContact O-N 3.38Å
157F94.3Very high90.9Very high16 Ų1654.9 Ų54.97%0.0732%0.315CS..THydrogen-bonded Turntrans-108.321.4176.8-68.3-77.9000113.2A28 I29 Q32 V153 D155 N159 H160 F163 P164A28-F157 HydrophobicContact CB-CZ 4.1Å; I29-F157 HydrophobicContact CG1-CE2 3.99Å; Q32-F157 HydrophobicContact CB-CE1 4.01Å; Q32-F157 HydrophobicContact CB-CE2 4.33Å; Q32-F157 HydrophobicContact CB-CZ 3.68Å; Q32-F157 HydrophobicContact CG-CD1 4.46Å; Q32-F157 HydrophobicContact CG-CE1 4.02Å; Q32-F157 HydrophobicContact CG-CZ 4.04Å; V153-F157 HydrophobicContact CG1-CD2 4.17Å; V153-F157 WeakPolarHBondContact O-CB 3.26Å; V153-F157 PolarHBondContact O-N 2.92Å; D155-F157 VanDerWaalsContact C-N 3.31Å; D155-F157 PolarHBondContact O-N 3.03Å; F157-N159 PolarHBondContact O-N 3.13Å; F157-N159 VanDerWaalsContact O-N 3.09Å; F157-H160 HydrophobicContact CB-CB 4.41Å; F157-H160 HydrophobicContact CD1-CB 4.16Å; F157-H160 CarbonylContact O-C 3.3Å; F157-H160 PolarHBondContact O-N 3.25Å; F157-F163 HydrophobicContact CB-CB 4.47Å; F157-F163 HydrophobicContact CB-CD1 4.19Å; F157-F163 HydrophobicContact CD1-CB 4.3Å; F157-F163 AromaticContact CD1-CD1 3.92Å; F157-F163 HydrophobicContact CD1-CD1 3.92Å; F157-F163 HydrophobicContact CD1-CE1 4.46Å; F157-F163 HydrophobicContact CD1-CG 4.03Å; F157-F163 AromaticContact CD2-CD1 3.33Å; F157-F163 HydrophobicContact CD2-CD1 3.33Å; F157-F163 AromaticContact CD2-CE1 3.47Å; F157-F163 HydrophobicContact CD2-CE1 3.47Å; F157-F163 VanDerWaalsContact CD2-CE1 3.47Å; F157-F163 HydrophobicContact CD2-CG 4.26Å; F157-F163 HydrophobicContact CD2-CZ 4.45Å; F157-F163 HydrophobicContact CE1-CD1 4.1Å; F157-F163 HydrophobicContact CE1-CD2 4.41Å; F157-F163 HydrophobicContact CE1-CE1 4.25Å; F157-F163 HydrophobicContact CE1-CG 4.2Å; F157-F163 HydrophobicContact CE1-CZ 4.45Å; F157-F163 AromaticContact CE2-CD1 3.55Å; F157-F163 HydrophobicContact CE2-CD1 3.55Å; F157-F163 AromaticContact CE2-CE1 3.2Å; F157-F163 HydrophobicContact CE2-CE1 3.2Å; F157-F163 HydrophobicContact CE2-CG 4.43Å; F157-F163 AromaticContact CE2-CZ 3.83Å; F157-F163 HydrophobicContact CE2-CZ 3.83Å; F157-F163 HydrophobicContact CG-CB 4.34Å; F157-F163 AromaticContact CG-CD1 3.54Å; F157-F163 HydrophobicContact CG-CD1 3.54Å; F157-F163 HydrophobicContact CG-CE1 4.12Å; F157-F163 HydrophobicContact CG-CG 4.07Å; F157-F163 AromaticContact CZ-CD1 3.93Å; F157-F163 HydrophobicContact CZ-CD1 3.93Å; F157-F163 AromaticContact CZ-CE1 3.64Å; F157-F163 HydrophobicContact CZ-CE1 3.64Å; F157-F163 HydrophobicContact CZ-CE2 4.29Å; F157-F163 HydrophobicContact CZ-CG 4.4Å; F157-F163 AromaticContact CZ-CZ 3.83Å; F157-F163 HydrophobicContact CZ-CZ 3.83Å; F157-P164 HydrophobicContact CB-CG 3.97Å
158S89.9Confident90.9Very high82 Ų8253.3 Ų53.357%0.57331%0.307SS*.THydrogen-bonded Turntrans-51.2-33.5175.949.50000113.7L154 D155L154-S158 PolarHBondContact O-N 3.45Å; D155-S158 WeakPolarHBondContact O-CB 3.28Å; D155-S158 PolarHBondContact O-N 2.99Å; D155-S158 PolarHBondContact O-OG 2.73Å
159N89.7Confident90.9Very high141 Ų14153.5 Ų53.575%0.75432%0.32SS*.THydrogen-bonded Turntrans-84.7-5.3177.6-64.5-35.4000114.8F157 P161F157-N159 PolarHBondContact O-N 3.13Å; F157-N159 VanDerWaalsContact O-N 3.09Å; N159-P161 WeakPolarHBondContact O-CD 3.3Å
160H89.6Confident90.7Very high102 Ų10252 Ų5247%0.47231%0.314SS..SBendtrans-12176.9-176.2-64.294.4000110.3F157 G162 F163F157-H160 HydrophobicContact CB-CB 4.41Å; F157-H160 HydrophobicContact CD1-CB 4.16Å; F157-H160 CarbonylContact O-C 3.3Å; F157-H160 PolarHBondContact O-N 3.25Å; H160-G162 PolarHBondContact O-N 3.29Å; H160-F163 PolarHBondContact O-N 2.96Å
161P84.1Confident90.5Very high125 Ų12552.5 Ų52.581%0.81232%0.32SS*.THydrogen-bonded Turntrans-60.5130.6-179.826.1-33.9000110.2N159N159-P161 WeakPolarHBondContact O-CD 3.3Å
162G87.6Confident90.3Very high53 Ų5357.1 Ų57.155%0.54634%0.339SS..THydrogen-bonded Turntrans111.4-35.5-178.900000114.2H160 G165 L166H160-G162 PolarHBondContact O-N 3.29Å; G162-G165 PolarHBondContact O-N 2.92Å; G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 PolarHBondContact O-N 3.39Å
163F89.4Confident89.9Confident47 Ų4759.1 Ų59.121%0.20635%0.353CS..Hα-helixtrans-63.4-48.7179.2-176.4-81.5000112.6A28 I29 V153 F157 H160 G165 L166 F167A28-F163 HydrophobicContact CB-CE2 3.51Å; A28-F163 HydrophobicContact CB-CZ 3.53Å; I29-F163 HydrophobicContact CG1-CE1 4.19Å; I29-F163 HydrophobicContact CG1-CZ 4.39Å; V153-F163 HydrophobicContact CG1-CD1 4.06Å; V153-F163 HydrophobicContact CG1-CE1 4.03Å; F157-F163 HydrophobicContact CB-CB 4.47Å; F157-F163 HydrophobicContact CB-CD1 4.19Å; F157-F163 HydrophobicContact CD1-CB 4.3Å; F157-F163 AromaticContact CD1-CD1 3.92Å; F157-F163 HydrophobicContact CD1-CD1 3.92Å; F157-F163 HydrophobicContact CD1-CE1 4.46Å; F157-F163 HydrophobicContact CD1-CG 4.03Å; F157-F163 AromaticContact CD2-CD1 3.33Å; F157-F163 HydrophobicContact CD2-CD1 3.33Å; F157-F163 AromaticContact CD2-CE1 3.47Å; F157-F163 HydrophobicContact CD2-CE1 3.47Å; F157-F163 VanDerWaalsContact CD2-CE1 3.47Å; F157-F163 HydrophobicContact CD2-CG 4.26Å; F157-F163 HydrophobicContact CD2-CZ 4.45Å; F157-F163 HydrophobicContact CE1-CD1 4.1Å; F157-F163 HydrophobicContact CE1-CD2 4.41Å; F157-F163 HydrophobicContact CE1-CE1 4.25Å; F157-F163 HydrophobicContact CE1-CG 4.2Å; F157-F163 HydrophobicContact CE1-CZ 4.45Å; F157-F163 AromaticContact CE2-CD1 3.55Å; F157-F163 HydrophobicContact CE2-CD1 3.55Å; F157-F163 AromaticContact CE2-CE1 3.2Å; F157-F163 HydrophobicContact CE2-CE1 3.2Å; F157-F163 HydrophobicContact CE2-CG 4.43Å; F157-F163 AromaticContact CE2-CZ 3.83Å; F157-F163 HydrophobicContact CE2-CZ 3.83Å; F157-F163 HydrophobicContact CG-CB 4.34Å; F157-F163 AromaticContact CG-CD1 3.54Å; F157-F163 HydrophobicContact CG-CD1 3.54Å; F157-F163 HydrophobicContact CG-CE1 4.12Å; F157-F163 HydrophobicContact CG-CG 4.07Å; F157-F163 AromaticContact CZ-CD1 3.93Å; F157-F163 HydrophobicContact CZ-CD1 3.93Å; F157-F163 AromaticContact CZ-CE1 3.64Å; F157-F163 HydrophobicContact CZ-CE1 3.64Å; F157-F163 HydrophobicContact CZ-CE2 4.29Å; F157-F163 HydrophobicContact CZ-CG 4.4Å; F157-F163 AromaticContact CZ-CZ 3.83Å; F157-F163 HydrophobicContact CZ-CZ 3.83Å; H160-F163 PolarHBondContact O-N 2.96Å; F163-G165 VanDerWaalsContact C-N 3.27Å; F163-G165 PolarHBondContact O-N 3.49Å; F163-L166 PolarHBondContact O-N 3.31Å; F163-F167 HydrophobicContact CE1-CB 4.5Å; F163-F167 PolarHBondContact O-N 2.91Å
164P89.8Confident89.5Confident13 Ų1359.7 Ų59.78%0.08436%0.358CS..Hα-helixtrans-60.4-37.2176.1-24.234.7000113V153 L154 F157 F167 L168V153-P164 HydrophobicContact CG1-CB 4.06Å; V153-P164 HydrophobicContact CG1-CG 4.29Å; L154-P164 HydrophobicContact CD2-CB 3.53Å; L154-P164 HydrophobicContact CD2-CG 4.14Å; L154-P164 HydrophobicContact CG-CB 4.24Å; F157-P164 HydrophobicContact CB-CG 3.97Å; P164-F167 PolarHBondContact O-N 3.23Å; P164-L168 WeakPolarHBondContact O-CB 3.44Å; P164-L168 VanDerWaalsContact O-CG 3.3Å; P164-L168 WeakPolarHBondContact O-CG 3.26Å; P164-L168 PolarHBondContact O-N 3.35Å
165G90.5Very high89.2Confident46 Ų4659.9 Ų59.947%0.47436%0.364SS..Hα-helixtrans-64.2-44.2176.600000112.4G162 F163 A169G162-G165 PolarHBondContact O-N 2.92Å; F163-G165 VanDerWaalsContact C-N 3.27Å; F163-G165 PolarHBondContact O-N 3.49Å; G165-A169 VanDerWaalsContact O-CB 3.23Å; G165-A169 WeakPolarHBondContact O-CB 3.33Å; G165-A169 PolarHBondContact O-N 3.41Å
166L90.1Very high88.9Confident91 Ų9163.7 Ų63.748%0.47638%0.383SS..Hα-helixtrans-63.3-45.4175.7-177.665.7000111.5V21 G162 F163 A169 C170V21-L166 HydrophobicContact CG1-CD1 4.16Å; V21-L166 HydrophobicContact CG1-CD2 4.03Å; V21-L166 HydrophobicContact CG1-CG 3.94Å; G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 PolarHBondContact O-N 3.39Å; F163-L166 PolarHBondContact O-N 3.31Å; L166-A169 PolarHBondContact O-N 3.45Å; L166-C170 PolarHBondContact O-N 3.02Å; L166-C170 PolarHBondContact O-SG 3.49Å
167F88.6Confident88.4Confident24 Ų2464.3 Ų64.311%0.10539%0.388CS..Hα-helixtrans-59.6-49.9177.8179.8-95.8000111.7F26 I29 M149 V153 F163 P164 A169 C170 A171F26-F167 HydrophobicContact CE1-CE2 4.41Å; I29-F167 HydrophobicContact CD1-CD2 3.81Å; I29-F167 HydrophobicContact CD1-CE2 3.44Å; I29-F167 VanDerWaalsContact CD1-CE2 3.44Å; I29-F167 HydrophobicContact CD1-CZ 3.92Å; M149-F167 HydrophobicContact CG-CE1 4.22Å; M149-F167 HydrophobicContact CG-CZ 4.01Å; V153-F167 HydrophobicContact CB-CD1 4.31Å; V153-F167 HydrophobicContact CG1-CB 4.16Å; V153-F167 HydrophobicContact CG1-CD1 4.12Å; V153-F167 HydrophobicContact CG1-CG 4.18Å; V153-F167 HydrophobicContact CG2-CD1 3.89Å; V153-F167 HydrophobicContact CG2-CE1 3.84Å; V153-F167 HydrophobicContact CG2-CG 4.29Å; V153-F167 HydrophobicContact CG2-CZ 4.2Å; F163-F167 HydrophobicContact CE1-CB 4.5Å; F163-F167 PolarHBondContact O-N 2.91Å; P164-F167 PolarHBondContact O-N 3.23Å; F167-A169 PolarHBondContact O-N 3.39Å; F167-C170 PolarHBondContact O-N 2.97Å; F167-A171 PolarHBondContact O-N 3.39Å
168L89.1Confident88Confident48 Ų4867.9 Ų67.925%0.25141%0.411SS..Hα-helixtrans-62.2-43.6177.2-72.6171.4000111.6P150 P164 C170 A171 Y172P150-L168 HydrophobicContact CB-CD2 4.1Å; P150-L168 HydrophobicContact CG-CD2 4.42Å; P164-L168 WeakPolarHBondContact O-CB 3.44Å; P164-L168 VanDerWaalsContact O-CG 3.3Å; P164-L168 WeakPolarHBondContact O-CG 3.26Å; P164-L168 PolarHBondContact O-N 3.35Å; L168-C170 VanDerWaalsContact C-N 3.31Å; L168-C170 PolarHBondContact O-N 2.86Å; L168-A171 PolarHBondContact O-N 3Å; L168-Y172 HydrophobicContact CB-CD2 4.47Å; L168-Y172 HydrophobicContact CB-CE2 4.33Å; L168-Y172 WeakPolarHBondContact O-CD2 3.28Å; L168-Y172 PolarHBondContact O-N 3.27Å
169A90.4Very high87.9Confident57 Ų5766 Ų6647%0.47140%0.4SS..Hα-helixtrans-58.8-42.217700000112G165 L166 F167 S173G165-A169 VanDerWaalsContact O-CB 3.23Å; G165-A169 WeakPolarHBondContact O-CB 3.33Å; G165-A169 PolarHBondContact O-N 3.41Å; L166-A169 PolarHBondContact O-N 3.45Å; F167-A169 PolarHBondContact O-N 3.39Å; A169-S173 WeakPolarHBondContact O-CB 3.25Å; A169-S173 PolarHBondContact O-N 3.2Å
170C88.3Confident87.7Confident12 Ų1260 Ų608%0.08137%0.37CS..Hα-helixtrans-68.8-39.7176.4-73.10000113V21 L166 F167 L168 S173 G174V21-C170 VanDerWaalsContact CB-SG 3.59Å; V21-C170 HydrophobicContact CG1-CB 4.38Å; V21-C170 WeakPolarHBondContact CG1-SG 3.29Å; L166-C170 PolarHBondContact O-N 3.02Å; L166-C170 PolarHBondContact O-SG 3.49Å; F167-C170 PolarHBondContact O-N 2.97Å; L168-C170 VanDerWaalsContact C-N 3.31Å; L168-C170 PolarHBondContact O-N 2.86Å; C170-S173 PolarHBondContact O-N 3.38Å; C170-G174 PolarHBondContact O-N 2.86Å
171A87.9Confident87.5Confident45 Ų4556.3 Ų56.337%0.37235%0.354SS..Hα-helixtrans-60.5-46.7174.200000111.2F167 L168 G174 T175F167-A171 PolarHBondContact O-N 3.39Å; L168-A171 PolarHBondContact O-N 3Å; A171-G174 PolarHBondContact O-N 2.7Å; A171-T175 PolarHBondContact O-N 3.3Å; A171-T175 VanDerWaalsContact O-N 3.11Å; A171-T175 PolarHBondContact O-OG1 2.96Å
172Y88.2Confident87.7Confident157 Ų15752.8 Ų52.862%0.61633%0.333SS*.Hα-helixtrans-63.2-42.9175.5-75-60.5000112.3L168 G174 T175 L176L168-Y172 HydrophobicContact CB-CD2 4.47Å; L168-Y172 HydrophobicContact CB-CE2 4.33Å; L168-Y172 WeakPolarHBondContact O-CD2 3.28Å; L168-Y172 PolarHBondContact O-N 3.27Å; Y172-G174 VanDerWaalsContact C-N 3.27Å; Y172-G174 PolarHBondContact O-N 3.25Å; Y172-T175 PolarHBondContact O-N 2.97Å; Y172-L176 WeakPolarHBondContact O-CB 3.4Å; Y172-L176 WeakPolarHBondContact O-CD1 3.48Å; Y172-L176 VanDerWaalsContact O-CG 3.29Å; Y172-L176 WeakPolarHBondContact O-CG 3.22Å; Y172-L176 PolarHBondContact O-N 3.17Å
173S86.4Confident87.8Confident42 Ų4251.6 Ų51.629%0.29431%0.313SS..Hα-helixtrans-55.8-42.4174.9-177.30000111.6Q18 A169 C170 L176 S177Q18-S173 VanDerWaalsContact OE1-CB 3.31Å; Q18-S173 PolarHBondContact OE1-O 3.43Å; Q18-S173 PolarHBondContact OE1-OG 3.39Å; A169-S173 WeakPolarHBondContact O-CB 3.25Å; A169-S173 PolarHBondContact O-N 3.2Å; C170-S173 PolarHBondContact O-N 3.38Å; S173-L176 WeakPolarHBondContact O-CB 3.15Å; S173-L176 PolarHBondContact O-N 3.11Å; S173-S177 PolarHBondContact O-N 3.24Å
174G85.8Confident87.7Confident13 Ų1352.3 Ų52.313%0.13432%0.32CS..Hα-helixtrans-68.9-40.5-179.500000114C170 A171 Y172 L176 S177 T178C170-G174 PolarHBondContact O-N 2.86Å; A171-G174 PolarHBondContact O-N 2.7Å; Y172-G174 VanDerWaalsContact C-N 3.27Å; Y172-G174 PolarHBondContact O-N 3.25Å; G174-L176 VanDerWaalsContact C-N 3.33Å; G174-S177 PolarHBondContact O-N 2.94Å; G174-T178 PolarHBondContact O-N 3.41Å; G174-T178 PolarHBondContact O-OG1 2.85Å
175T87.3Confident87.7Confident95 Ų9551.9 Ų51.958%0.58332%0.317SS*.Hα-helixtrans-61.7-43.3171.7-56.30000110.8A171 Y172 T178 A179A171-T175 PolarHBondContact O-N 3.3Å; A171-T175 VanDerWaalsContact O-N 3.11Å; A171-T175 PolarHBondContact O-OG1 2.96Å; Y172-T175 PolarHBondContact O-N 2.97Å; T175-T178 PolarHBondContact O-N 2.9Å; T175-A179 VanDerWaalsContact O-CB 3.26Å; T175-A179 WeakPolarHBondContact O-CB 3.42Å; T175-A179 PolarHBondContact O-N 3.35Å
176L85.8Confident87.7Confident123 Ų12353 Ų5364%0.64431%0.311SS*.Hα-helixtrans-62.4-42.1177.6-77.6156.2000112.5Y172 S173 G174 S180Y172-L176 WeakPolarHBondContact O-CB 3.4Å; Y172-L176 WeakPolarHBondContact O-CD1 3.48Å; Y172-L176 VanDerWaalsContact O-CG 3.29Å; Y172-L176 WeakPolarHBondContact O-CG 3.22Å; Y172-L176 PolarHBondContact O-N 3.17Å; S173-L176 WeakPolarHBondContact O-CB 3.15Å; S173-L176 PolarHBondContact O-N 3.11Å; G174-L176 VanDerWaalsContact C-N 3.33Å; L176-S180 WeakPolarHBondContact O-CB 3.24Å; L176-S180 PolarHBondContact O-N 3.32Å
177S83.9Confident87.7Confident18 Ų1848.7 Ų48.713%0.12629%0.288CS..Hα-helixtrans-63.6-44.3176.6178.20000112D15 S173 G174 T181D15-S177 WeakPolarHBondContact OD1-CB 3.35Å; D15-S177 PolarHBondContact OD1-OG 3.34Å; D15-S177 PolarHBondContact OD2-OG 2.92Å; S173-S177 PolarHBondContact O-N 3.24Å; G174-S177 PolarHBondContact O-N 2.94Å; S177-T181 PolarHBondContact O-N 3.17Å; S177-T181 PolarHBondContact O-OG1 2.96Å
178T86.1Confident87.7Confident91 Ų9148.7 Ų48.756%0.55829%0.293SS*.Hα-helixtrans-65.3-50.2177.6-53.80000111.1G174 T175 S180 T181 S182G174-T178 PolarHBondContact O-N 3.41Å; G174-T178 PolarHBondContact O-OG1 2.85Å; T175-T178 PolarHBondContact O-N 2.9Å; T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 2.89Å; T178-T181 PolarHBondContact O-N 3.34Å; T178-T181 VanDerWaalsContact O-N 3.13Å; T178-S182 PolarHBondContact O-N 3.26Å; T178-S182 PolarHBondContact O-OG 3.25Å
179A87.9Confident87.8Confident42 Ų4248.6 Ų48.635%0.34729%0.294SS..Hα-helixtrans-59.2-43.8178.400000111.5T175 T181 S182 I183T175-A179 VanDerWaalsContact O-CB 3.26Å; T175-A179 WeakPolarHBondContact O-CB 3.42Å; T175-A179 PolarHBondContact O-N 3.35Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 3.44Å; A179-S182 PolarHBondContact O-N 3.38Å; A179-I183 WeakPolarHBondContact O-CB 3.48Å; A179-I183 WeakPolarHBondContact O-CD1 3.39Å; A179-I183 VanDerWaalsContact O-CG1 3.25Å; A179-I183 WeakPolarHBondContact O-CG1 3.25Å; A179-I183 PolarHBondContact O-N 3.39Å
180S84.8Confident87.9Confident16 Ų1646.9 Ų46.911%0.11228%0.278CS..Hα-helixtrans-61.3-41176179.30000112.4T3 L176 T178 N184T3-S180 WeakPolarHBondContact CB-OG 3.45Å; T3-S180 WeakPolarHBondContact CG2-OG 3.48Å; T3-S180 PolarHBondContact OG1-OG 2.89Å; L176-S180 WeakPolarHBondContact O-CB 3.24Å; L176-S180 PolarHBondContact O-N 3.32Å; T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 2.89Å; S180-N184 WeakPolarHBondContact O-CB 3.24Å; S180-N184 PolarHBondContact O-N 3.5Å; S180-N184 PolarHBondContact O-ND2 2.9Å
181T85.5Confident87.9Confident24 Ų2446.7 Ų46.715%0.14728%0.276CS..Hα-helixtrans-64.3-45.9178.7-57.20000110.1A88 R92 S177 T178 A179 N184 A185A88-T181 HydrophobicContact CB-CG2 3.87Å; R92-T181 PolarHBondContact NH2-OG1 3.2Å; R92-T181 VanDerWaalsContact NH2-OG1 3.1Å; S177-T181 PolarHBondContact O-N 3.17Å; S177-T181 PolarHBondContact O-OG1 2.96Å; T178-T181 PolarHBondContact O-N 3.34Å; T178-T181 VanDerWaalsContact O-N 3.13Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 3.44Å; T181-N184 PolarHBondContact O-N 2.91Å; T181-A185 WeakPolarHBondContact O-CB 3.38Å; T181-A185 PolarHBondContact O-N 2.67Å
182S88.4Confident87.9Confident51 Ų5148.5 Ų48.536%0.35728%0.277SS..Hα-helixtrans-64-44.2178.5-60.30000112.7T178 A179 N184 A185 M186T178-S182 PolarHBondContact O-N 3.26Å; T178-S182 PolarHBondContact O-OG 3.25Å; A179-S182 PolarHBondContact O-N 3.38Å; S182-N184 VanDerWaalsContact C-N 3.34Å; S182-N184 PolarHBondContact O-N 2.9Å; S182-A185 PolarHBondContact O-N 2.97Å; S182-M186 WeakPolarHBondContact O-CG 3.46Å; S182-M186 PolarHBondContact O-N 3.04Å
183I90.1Very high88Confident28 Ų2846.2 Ų46.214%0.14428%0.275CS..Hα-helixtrans-60-45.3177.2-72164.4000110.8A179 M186 A187 S215A179-I183 WeakPolarHBondContact O-CB 3.48Å; A179-I183 WeakPolarHBondContact O-CD1 3.39Å; A179-I183 VanDerWaalsContact O-CG1 3.25Å; A179-I183 WeakPolarHBondContact O-CG1 3.25Å; A179-I183 PolarHBondContact O-N 3.39Å; I183-M186 HydrophobicContact CG1-CE 4.28Å; I183-M186 PolarHBondContact O-N 2.95Å; I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 3.08Å; I183-S215 VanDerWaalsContact CG2-O 3.28Å; I183-S215 WeakPolarHBondContact CG2-O 3.3Å
184N86.6Confident88.2Confident63 Ų6348.9 Ų48.934%0.33729%0.285SS..Hα-helixtrans-64.2-41.5177.3-74-12.8000112.2T3 S180 T181 S182 A187 A188T3-N184 WeakPolarHBondContact CG2-ND2 3.21Å; T3-N184 WeakPolarHBondContact CG2-OD1 3.49Å; S180-N184 WeakPolarHBondContact O-CB 3.24Å; S180-N184 PolarHBondContact O-N 3.5Å; S180-N184 PolarHBondContact O-ND2 2.9Å; T181-N184 PolarHBondContact O-N 2.91Å; S182-N184 VanDerWaalsContact C-N 3.34Å; S182-N184 PolarHBondContact O-N 2.9Å; N184-A187 PolarHBondContact O-N 2.96Å; N184-A188 VanDerWaalsContact O-CB 3.3Å; N184-A188 WeakPolarHBondContact O-CB 3.48Å; N184-A188 PolarHBondContact O-N 3.05Å
185A89.4Confident88.4Confident4 Ų450.5 Ų50.53%0.03329%0.29CS..Hα-helixtrans-63-45.1178.500000111.2Q87 A88 T181 S182 A188 V189Q87-A185 HydrophobicContact CB-CB 4.4Å; Q87-A185 HydrophobicContact CG-CB 4.25Å; A88-A185 HydrophobicContact CB-CB 3.9Å; T181-A185 WeakPolarHBondContact O-CB 3.38Å; T181-A185 PolarHBondContact O-N 2.67Å; S182-A185 PolarHBondContact O-N 2.97Å; A185-A188 PolarHBondContact O-N 2.9Å; A185-V189 VanDerWaalsContact O-CG2 3.31Å; A185-V189 WeakPolarHBondContact O-CG2 3.31Å; A185-V189 PolarHBondContact O-N 3.37Å
186M91Very high88.2Confident68 Ų6851.5 Ų51.534%0.33528%0.283SS..Hα-helixtrans-62.7-44.5175.2-69.6-174.7-6600112S182 I183 A188 V189 T190 Y218S182-M186 WeakPolarHBondContact O-CG 3.46Å; S182-M186 PolarHBondContact O-N 3.04Å; I183-M186 HydrophobicContact CG1-CE 4.28Å; I183-M186 PolarHBondContact O-N 2.95Å; M186-A188 VanDerWaalsContact C-N 3.29Å; M186-A188 PolarHBondContact O-N 2.93Å; M186-V189 PolarHBondContact O-N 2.91Å; M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.13Å; M186-T190 PolarHBondContact O-OG1 3.12Å; M186-Y218 HydrophobicContact CB-CD1 4.31Å; M186-Y218 HydrophobicContact CB-CD2 3.97Å; M186-Y218 HydrophobicContact CB-CE1 4.3Å; M186-Y218 HydrophobicContact CB-CE2 3.96Å; M186-Y218 HydrophobicContact CB-CG 4.18Å; M186-Y218 HydrophobicContact CE-CD1 4.09Å; M186-Y218 HydrophobicContact CE-CG 4.13Å; M186-Y218 HydrophobicContact SD-CD1 4.1Å; M186-Y218 HydrophobicContact SD-CE1 4.37Å
187A90.6Very high88.2Confident1 Ų148.8 Ų48.81%0.00827%0.273CS..Hα-helixtrans-61.3-39.4175.900000111.7I183 N184 M191 L214 S215 Y218I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 3.08Å; N184-A187 PolarHBondContact O-N 2.96Å; A187-M191 WeakPolarHBondContact O-CB 3.44Å; A187-M191 PolarHBondContact O-N 2.93Å; A187-L214 HydrophobicContact CB-CB 4.02Å; A187-S215 WeakPolarHBondContact CB-OG 3.37Å; A187-Y218 HydrophobicContact CB-CD2 4.39Å
188A88.1Confident88.3Confident25 Ų2555.3 Ų55.321%0.20730%0.302CS..Hα-helixtrans-66.9-45.5176.900000112.2N184 A185 M186 M191 E192N184-A188 VanDerWaalsContact O-CB 3.3Å; N184-A188 WeakPolarHBondContact O-CB 3.48Å; N184-A188 PolarHBondContact O-N 3.05Å; A185-A188 PolarHBondContact O-N 2.9Å; M186-A188 VanDerWaalsContact C-N 3.29Å; M186-A188 PolarHBondContact O-N 2.93Å; A188-M191 PolarHBondContact O-N 3.29Å; A188-E192 WeakPolarHBondContact O-CB 3.31Å; A188-E192 WeakPolarHBondContact O-CG 3.45Å; A188-E192 PolarHBondContact O-N 2.88Å
189V91.4Very high88.1Confident46 Ų4653.5 Ų53.528%0.27929%0.288SS..Hα-helixtrans-60.1-50177167.10000110.7Q87 A185 M186 M191 E192 D193Q87-V189 HydrophobicContact CB-CG2 4Å; Q87-V189 HydrophobicContact CG-CG2 3.52Å; A185-V189 VanDerWaalsContact O-CG2 3.31Å; A185-V189 WeakPolarHBondContact O-CG2 3.31Å; A185-V189 PolarHBondContact O-N 3.37Å; M186-V189 PolarHBondContact O-N 2.91Å; V189-M191 VanDerWaalsContact C-N 3.29Å; V189-M191 PolarHBondContact O-N 3.33Å; V189-E192 PolarHBondContact O-N 3.44Å; V189-D193 WeakPolarHBondContact CG1-OD2 3.38Å; V189-D193 VanDerWaalsContact O-CB 3.23Å; V189-D193 WeakPolarHBondContact O-CB 3.3Å; V189-D193 PolarHBondContact O-N 2.88Å
190T92.5Very high87Confident20 Ų2058.3 Ų58.312%0.12331%0.307CS..Iπ-helixtrans-63.7-37.9178.6-61.50000111.9M186 I194 L195 L214 Y218M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.13Å; M186-T190 PolarHBondContact O-OG1 3.12Å; T190-I194 HydrophobicContact CG2-CD1 4.36Å; T190-I194 WeakPolarHBondContact O-CB 3.43Å; T190-I194 PolarHBondContact O-N 3.45Å; T190-L195 PolarHBondContact O-N 3.47Å; T190-L214 HydrophobicContact CG2-CD1 3.88Å; T190-L214 HydrophobicContact CG2-CD2 3.96Å; T190-Y218 PolarHBondContact OG1-OH 3.5Å
191M89.1Confident86.6Confident9 Ų967.6 Ų67.64%0.04435%0.346CS..Iπ-helixtrans-66.2-49177.6-172.968.5-118.500111.8A187 A188 V189 L195 R196 L199 L207 V210 L214A187-M191 WeakPolarHBondContact O-CB 3.44Å; A187-M191 PolarHBondContact O-N 2.93Å; A188-M191 PolarHBondContact O-N 3.29Å; V189-M191 VanDerWaalsContact C-N 3.29Å; V189-M191 PolarHBondContact O-N 3.33Å; M191-L195 HydrophobicContact CE-CB 3.9Å; M191-L195 HydrophobicContact SD-CD1 4.31Å; M191-R196 VanDerWaalsContact O-CB 3.27Å; M191-R196 WeakPolarHBondContact O-CB 3.42Å; M191-R196 PolarHBondContact O-N 3.25Å; M191-L199 HydrophobicContact CE-CD1 4.38Å; M191-L207 HydrophobicContact CE-CD1 3.18Å; M191-L207 HydrophobicContact CE-CD2 4.38Å; M191-L207 HydrophobicContact CE-CG 3.61Å; M191-L207 HydrophobicContact SD-CD1 4.28Å; M191-L207 HydrophobicContact SD-CG 4.16Å; M191-V210 HydrophobicContact SD-CB 4.33Å; M191-V210 HydrophobicContact SD-CG1 3.9Å; M191-L214 HydrophobicContact CB-CD1 4.32Å
192E87.4Confident86.2Confident83 Ų8369.8 Ų69.839%0.38836%0.355SS..Iπ-helixtrans-81-41.2-173.2-71.5-66.415900113A188 V189 R196A188-E192 WeakPolarHBondContact O-CB 3.31Å; A188-E192 WeakPolarHBondContact O-CG 3.45Å; A188-E192 PolarHBondContact O-N 2.88Å; V189-E192 PolarHBondContact O-N 3.44Å; E192-R196 IonicContact OE1-CZ 2.95Å; E192-R196 IonicContact OE1-NH1 2.95Å; E192-R196 PolarHBondContact OE1-NH1 3.41Å; E192-R196 WeakPolarHBondContact OE2-CD 3.23Å; E192-R196 IonicContact OE2-CZ 3.79Å; E192-R196 IonicContact OE2-NE 3.76Å; E192-R196 IonicContact OE2-NH1 2.63Å; E192-R196 PolarHBondContact OE2-NH1 2.86Å
193D90.2Very high85.9Confident109 Ų10972.5 Ų72.558%0.58336%0.362SS*.Iπ-helixtrans-91.5-32.1-171.3-58.4-23.9000112.5V189V189-D193 WeakPolarHBondContact CG1-OD2 3.38Å; V189-D193 VanDerWaalsContact O-CB 3.23Å; V189-D193 WeakPolarHBondContact O-CB 3.3Å; V189-D193 PolarHBondContact O-N 2.88Å
194I90.3Very high85.5Confident97 Ų9777.2 Ų77.250%0.49738%0.383SS..Iπ-helixtrans-105.4-50.9-175.4-55.8177000111.4T190 H198T190-I194 HydrophobicContact CG2-CD1 4.36Å; T190-I194 WeakPolarHBondContact O-CB 3.43Å; T190-I194 PolarHBondContact O-N 3.45Å; I194-H198 PolarHBondContact O-ND1 3.16Å
195L89.5Confident85.3Confident47 Ų4781.9 Ų81.925%0.24640%0.401CS..Iπ-helixtrans-85.6-43.4-170.5-66.9-178.4000113.2T190 M191 P197 H198 L199 V210 L214T190-L195 PolarHBondContact O-N 3.47Å; M191-L195 HydrophobicContact CE-CB 3.9Å; M191-L195 HydrophobicContact SD-CD1 4.31Å; L195-P197 VanDerWaalsContact C-CD 3.46Å; L195-H198 CarbonylContact O-C 3.56Å; L195-H198 PolarHBondContact O-N 3.31Å; L195-L199 HydrophobicContact CB-CD1 3.85Å; L195-L199 HydrophobicContact CB-CG 4.47Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 WeakPolarHBondContact O-CB 3.13Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.49Å; L195-V210 HydrophobicContact CD1-CG1 3.77Å; L195-L214 HydrophobicContact CD1-CD1 3.82Å
196R84.4Confident85Confident116 Ų11687.3 Ų87.344%0.43842%0.424SS..THydrogen-bonded Turntrans-57.2-39.5-175.8-169.7174.3-172.6173.36.7114.1M191 E192 H198 L199 L200M191-R196 VanDerWaalsContact O-CB 3.27Å; M191-R196 WeakPolarHBondContact O-CB 3.42Å; M191-R196 PolarHBondContact O-N 3.25Å; E192-R196 IonicContact OE1-CZ 2.95Å; E192-R196 IonicContact OE1-NH1 2.95Å; E192-R196 PolarHBondContact OE1-NH1 3.41Å; E192-R196 WeakPolarHBondContact OE2-CD 3.23Å; E192-R196 IonicContact OE2-CZ 3.79Å; E192-R196 IonicContact OE2-NE 3.76Å; E192-R196 IonicContact OE2-NH1 2.63Å; E192-R196 PolarHBondContact OE2-NH1 2.86Å; R196-H198 PolarHBondContact O-N 2.92Å; R196-L199 PolarHBondContact O-N 3.38Å; R196-L200 PolarHBondContact O-N 3.36Å
197P85.9Confident84.6Confident67 Ų6785.1 Ų85.144%0.43541%0.413SS..THydrogen-bonded Turntrans-59.9-29.5174.6-24.635.2000113.5L195 L200L195-P197 VanDerWaalsContact C-CD 3.46Å; P197-L200 VanDerWaalsContact O-CD1 3.3Å; P197-L200 WeakPolarHBondContact O-CD1 3.29Å; P197-L200 WeakPolarHBondContact O-CG 3.43Å
198H84.8Confident84.2Confident155 Ų15588.7 Ų88.772%0.71844%0.435SS*.THydrogen-bonded Turntrans-95.4-20-178.6-59.1102000113.1I194 L195 R196I194-H198 PolarHBondContact O-ND1 3.16Å; L195-H198 CarbonylContact O-C 3.56Å; L195-H198 PolarHBondContact O-N 3.31Å; R196-H198 PolarHBondContact O-N 2.92Å
199L81.3Confident84.1Confident52 Ų5293.5 Ų93.527%0.27246%0.456SS..  trans-109.124.1-173.8-59.9-178.6000113.5M191 L195 R196 K201 M202M191-L199 HydrophobicContact CE-CD1 4.38Å; L195-L199 HydrophobicContact CB-CD1 3.85Å; L195-L199 HydrophobicContact CB-CG 4.47Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 WeakPolarHBondContact O-CB 3.13Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.49Å; R196-L199 PolarHBondContact O-N 3.38Å; L199-K201 PolarHBondContact O-N 2.98Å; L199-M202 HydrophobicContact CB-CG 4.15Å; L199-M202 HydrophobicContact CB-SD 3.85Å; L199-M202 HydrophobicContact CD1-SD 3.76Å; L199-M202 HydrophobicContact CD2-SD 3.67Å; L199-M202 HydrophobicContact CG-SD 3.95Å; L199-M202 PolarHBondContact O-N 3.37Å
200L65.9Low83.9Confident143 Ų14393.4 Ų93.475%0.74946%0.456SS*.THydrogen-bonded Turntrans-50.1-19.2-172.8-70.8164.1000116.2R196 P197R196-L200 PolarHBondContact O-N 3.36Å; P197-L200 VanDerWaalsContact O-CD1 3.3Å; P197-L200 WeakPolarHBondContact O-CD1 3.29Å; P197-L200 WeakPolarHBondContact O-CG 3.43Å
201K75.6Confident83.6Confident212 Ų21294.3 Ų94.392%0.92246%0.463SS*.THydrogen-bonded Turntrans-106.76.7-177.7-66.3-176.5179.3178.40114.8L199L199-K201 PolarHBondContact O-N 2.98Å
202M77.3Confident83.4Confident70 Ų7099.1 Ų99.135%0.34548%0.484SS..  trans-81.5141-177.5-69.8-169.875.200113L199 K206L199-M202 HydrophobicContact CB-CG 4.15Å; L199-M202 HydrophobicContact CB-SD 3.85Å; L199-M202 HydrophobicContact CD1-SD 3.76Å; L199-M202 HydrophobicContact CD2-SD 3.67Å; L199-M202 HydrophobicContact CG-SD 3.95Å; L199-M202 PolarHBondContact O-N 3.37Å; M202-K206 HydrophobicContact CE-CB 3.71Å; M202-K206 HydrophobicContact CE-CD 4.11Å
203E83.1Confident83.5Confident107 Ų10796.8 Ų96.850%0.548%0.481SS..  trans-62.3141.7173.7-170.5-172.8163.400111.3K205 K206 L207E203-K205 PolarHBondContact O-N 3.27Å; E203-K205 VanDerWaalsContact O-N 3.12Å; E203-K205 WeakPolarHBondContact OE1-CD 3.5Å; E203-K206 PolarHBondContact O-N 3.19Å; E203-L207 PolarHBondContact O-N 3.08Å; E203-L207 VanDerWaalsContact O-N 3.08Å
204Q81.5Confident83.5Confident127 Ų12792.8 Ų92.859%0.59346%0.46SS*.Hα-helixtrans-51.6-37.9-179.9-72.5-63.7-32.600113.4K206 L207 V208Q204-K206 VanDerWaalsContact C-N 3.34Å; Q204-K206 PolarHBondContact O-N 3.06Å; Q204-L207 WeakPolarHBondContact O-CB 3.48Å; Q204-L207 PolarHBondContact O-N 3.34Å; Q204-V208 WeakPolarHBondContact O-CG2 3.45Å; Q204-V208 PolarHBondContact O-N 3.48Å
205K81.9Confident83.4Confident161 Ų16189.3 Ų89.370%0.744%0.444SS*.Hα-helixtrans-62.2-39.5176.9-67.8-177-175.6167.90112.8E203 L209E203-K205 PolarHBondContact O-N 3.27Å; E203-K205 VanDerWaalsContact O-N 3.12Å; E203-K205 WeakPolarHBondContact OE1-CD 3.5Å; K205-L209 PolarHBondContact O-N 3.37Å; K205-L209 VanDerWaalsContact O-N 3.16Å
206K83.6Confident83.5Confident118 Ų11894.6 Ų94.651%0.51347%0.465SS..Hα-helixtrans-72.1-36.1177.3-63.3-177.4-179.1178.10110.9M202 E203 Q204 V208 L209 V210M202-K206 HydrophobicContact CE-CB 3.71Å; M202-K206 HydrophobicContact CE-CD 4.11Å; E203-K206 PolarHBondContact O-N 3.19Å; Q204-K206 VanDerWaalsContact C-N 3.34Å; Q204-K206 PolarHBondContact O-N 3.06Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.25Å; K206-L209 WeakPolarHBondContact O-CB 3.37Å; K206-L209 PolarHBondContact O-N 3.44Å; K206-V210 WeakPolarHBondContact O-CG2 3.41Å; K206-V210 PolarHBondContact O-N 3.47Å
207L82.5Confident83.9Confident23 Ų2394.5 Ų94.512%0.1247%0.473CS..Hα-helixtrans-59.2-45.4174.6-148.776.7000111.9M191 E203 Q204 L209 V210 S211M191-L207 HydrophobicContact CE-CD1 3.18Å; M191-L207 HydrophobicContact CE-CD2 4.38Å; M191-L207 HydrophobicContact CE-CG 3.61Å; M191-L207 HydrophobicContact SD-CD1 4.28Å; M191-L207 HydrophobicContact SD-CG 4.16Å; E203-L207 PolarHBondContact O-N 3.08Å; E203-L207 VanDerWaalsContact O-N 3.08Å; Q204-L207 WeakPolarHBondContact O-CB 3.48Å; Q204-L207 PolarHBondContact O-N 3.34Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 2.95Å; L207-V210 PolarHBondContact O-N 3.26Å; L207-S211 PolarHBondContact O-N 3.46Å
208V82.4Confident84.2Confident75 Ų7594.7 Ų94.746%0.45547%0.466SS..Hα-helixtrans-63.8-38.5175.6173.10000111.3Q204 K206 S211 K212Q204-V208 WeakPolarHBondContact O-CG2 3.45Å; Q204-V208 PolarHBondContact O-N 3.48Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.25Å; V208-S211 PolarHBondContact O-N 3.43Å; V208-K212 HydrophobicContact CG1-CD 4.41Å; V208-K212 WeakPolarHBondContact O-CB 3.5Å; V208-K212 WeakPolarHBondContact O-CG 3.33Å; V208-K212 PolarHBondContact O-N 3.15Å
209L86.2Confident84.5Confident126 Ų12688.1 Ų88.166%0.6644%0.44SS*.Hα-helixtrans-64.9-42.4176.1-171.767.9000111.8K205 K206 L207 K212 G213K205-L209 PolarHBondContact O-N 3.37Å; K205-L209 VanDerWaalsContact O-N 3.16Å; K206-L209 WeakPolarHBondContact O-CB 3.37Å; K206-L209 PolarHBondContact O-N 3.44Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 PolarHBondContact O-N 2.95Å; L209-K212 PolarHBondContact O-N 3.25Å; L209-G213 PolarHBondContact O-N 2.98Å
210V87.4Confident85.1Confident45 Ų4587.7 Ų87.727%0.27344%0.444SS..Hα-helixtrans-62.5-46.4175.5172.30000110.8M191 L195 K206 L207 K212 G213 L214M191-V210 HydrophobicContact SD-CB 4.33Å; M191-V210 HydrophobicContact SD-CG1 3.9Å; L195-V210 HydrophobicContact CD1-CG1 3.77Å; K206-V210 WeakPolarHBondContact O-CG2 3.41Å; K206-V210 PolarHBondContact O-N 3.47Å; L207-V210 PolarHBondContact O-N 3.26Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 3.03Å; V210-G213 CarbonylContact O-C 3.57Å; V210-G213 WeakPolarHBondContact O-CA 3.21Å; V210-G213 PolarHBondContact O-N 2.95Å; V210-G213 VanDerWaalsContact O-N 3.08Å; V210-L214 HydrophobicContact CG1-CD1 4.49Å; V210-L214 PolarHBondContact O-N 3.03Å
211S85.1Confident86.4Confident39 Ų3982.5 Ų82.527%0.27343%0.425SS..Hα-helixtrans-60.4-39.8176.5179.40000112.6L207 V208 L214 S215L207-S211 PolarHBondContact O-N 3.46Å; V208-S211 PolarHBondContact O-N 3.43Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-S215 PolarHBondContact O-N 3.46Å; S211-S215 PolarHBondContact O-OG 3.44Å
212K84.8Confident87.1Confident110 Ų11075.1 Ų75.148%0.47840%0.399SS..Hα-helixtrans-64.4-39.9172.2-76-178.8175.6-174.50112.2V208 L209 V210 S215 F216V208-K212 HydrophobicContact CG1-CD 4.41Å; V208-K212 WeakPolarHBondContact O-CB 3.5Å; V208-K212 WeakPolarHBondContact O-CG 3.33Å; V208-K212 PolarHBondContact O-N 3.15Å; L209-K212 PolarHBondContact O-N 3.25Å; V210-K212 VanDerWaalsContact C-N 3.33Å; V210-K212 PolarHBondContact O-N 3.03Å; K212-S215 PolarHBondContact O-N 3.42Å; K212-F216 PolarHBondContact O-N 3.35Å
213G90.3Very high87.7Confident33 Ų3377.7 Ų77.734%0.3441%0.413SS..Hα-helixtrans-62.3-44.7174.300000112.7L209 V210 S215 F216 L217L209-G213 PolarHBondContact O-N 2.98Å; V210-G213 CarbonylContact O-C 3.57Å; V210-G213 WeakPolarHBondContact O-CA 3.21Å; V210-G213 PolarHBondContact O-N 2.95Å; V210-G213 VanDerWaalsContact O-N 3.08Å; G213-S215 PolarHBondContact O-N 2.66Å; G213-F216 WeakPolarHBondContact O-CB 3.49Å; G213-F216 PolarHBondContact O-N 3Å; G213-L217 WeakPolarHBondContact O-CG 3.43Å; G213-L217 PolarHBondContact O-N 3.47Å
214L90.4Very high88.1Confident25 Ų2576.6 Ų76.613%0.13141%0.414CS..Hα-helixtrans-60.3-45.2173.7-73174.6000111.8A187 T190 M191 L195 V210 S211 F216 L217 Y218A187-L214 HydrophobicContact CB-CB 4.02Å; T190-L214 HydrophobicContact CG2-CD1 3.88Å; T190-L214 HydrophobicContact CG2-CD2 3.96Å; M191-L214 HydrophobicContact CB-CD1 4.32Å; L195-L214 HydrophobicContact CD1-CD1 3.82Å; V210-L214 HydrophobicContact CG1-CD1 4.49Å; V210-L214 PolarHBondContact O-N 3.03Å; S211-L214 PolarHBondContact O-N 3.17Å; L214-F216 VanDerWaalsContact C-N 3.26Å; L214-F216 PolarHBondContact O-N 2.86Å; L214-L217 PolarHBondContact O-N 3.32Å; L214-L217 VanDerWaalsContact O-N 3.17Å; L214-Y218 HydrophobicContact CB-CD2 4.43Å; L214-Y218 HydrophobicContact CB-CE2 4.33Å; L214-Y218 WeakPolarHBondContact O-CD2 3.23Å; L214-Y218 PolarHBondContact O-N 2.86Å
215S88.6Confident88.5Confident24 Ų2475.1 Ų75.117%0.16841%0.413CS..Hα-helixtrans-59.8-38.9177.7-570000111.8I183 A187 S211 K212 G213 G219I183-S215 VanDerWaalsContact CG2-O 3.28Å; I183-S215 WeakPolarHBondContact CG2-O 3.3Å; A187-S215 WeakPolarHBondContact CB-OG 3.37Å; S211-S215 PolarHBondContact O-N 3.46Å; S211-S215 PolarHBondContact O-OG 3.44Å; K212-S215 PolarHBondContact O-N 3.42Å; G213-S215 PolarHBondContact O-N 2.66Å; S215-G219 PolarHBondContact O-N 2.78Å
216F90.3Very high88.8Confident158 Ų15870 Ų7069%0.69340%0.401SS*.Hα-helixtrans-65.7-45.6174.2179.3-96.1000112.1K212 G213 L214 G219 A220K212-F216 PolarHBondContact O-N 3.35Å; G213-F216 WeakPolarHBondContact O-CB 3.49Å; G213-F216 PolarHBondContact O-N 3Å; L214-F216 VanDerWaalsContact C-N 3.26Å; L214-F216 PolarHBondContact O-N 2.86Å; F216-G219 PolarHBondContact O-N 3.29Å; F216-A220 PolarHBondContact O-N 2.86Å
217L92.9Very high89Confident115 Ų11567.1 Ų67.160%0.60240%0.399SS*.Hα-helixtrans-60.7-46.9177.7-74.6168.3000112.3G213 L214 G219 A220 G221G213-L217 WeakPolarHBondContact O-CG 3.43Å; G213-L217 PolarHBondContact O-N 3.47Å; L214-L217 PolarHBondContact O-N 3.32Å; L214-L217 VanDerWaalsContact O-N 3.17Å; L217-G219 VanDerWaalsContact C-N 3.35Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-G221 PolarHBondContact O-N 3.49Å
218Y93Very high89.2Confident71 Ų7170.9 Ų70.928%0.27842%0.419SS..Hα-helixtrans-63.9-40.1175.6-74.6-59.4000112M186 A187 T190 L214 A220 G221 C222M186-Y218 HydrophobicContact CB-CD1 4.31Å; M186-Y218 HydrophobicContact CB-CD2 3.97Å; M186-Y218 HydrophobicContact CB-CE1 4.3Å; M186-Y218 HydrophobicContact CB-CE2 3.96Å; M186-Y218 HydrophobicContact CB-CG 4.18Å; M186-Y218 HydrophobicContact CE-CD1 4.09Å; M186-Y218 HydrophobicContact CE-CG 4.13Å; M186-Y218 HydrophobicContact SD-CD1 4.1Å; M186-Y218 HydrophobicContact SD-CE1 4.37Å; A187-Y218 HydrophobicContact CB-CD2 4.39Å; T190-Y218 PolarHBondContact OG1-OH 3.5Å; L214-Y218 HydrophobicContact CB-CD2 4.43Å; L214-Y218 HydrophobicContact CB-CE2 4.33Å; L214-Y218 WeakPolarHBondContact O-CD2 3.23Å; L214-Y218 PolarHBondContact O-N 2.86Å; Y218-A220 PolarHBondContact O-N 2.92Å; Y218-G221 PolarHBondContact O-N 2.88Å; Y218-C222 PolarHBondContact O-N 3.43Å; Y218-C222 PolarHBondContact O-SG 2.91Å
219G91.3Very high89.3Confident17 Ų1769 Ų6918%0.17541%0.409CS..Hα-helixtrans-59.9-44.3174.200000112.9S215 F216 L217 C222 I223S215-G219 PolarHBondContact O-N 2.78Å; F216-G219 PolarHBondContact O-N 3.29Å; L217-G219 VanDerWaalsContact C-N 3.35Å; G219-C222 PolarHBondContact O-N 3.5Å; G219-I223 WeakPolarHBondContact O-CG1 3.05Å; G219-I223 PolarHBondContact O-N 3.01Å; G219-I223 VanDerWaalsContact O-N 3.14Å
220A92.8Very high88.9Confident43 Ų4367.8 Ų67.836%0.35541%0.411SS..Hα-helixtrans-61.8-44.6174.100000111.5F216 L217 Y218 C222 I223 T224F216-A220 PolarHBondContact O-N 2.86Å; L217-A220 PolarHBondContact O-N 3.07Å; Y218-A220 PolarHBondContact O-N 2.92Å; A220-C222 PolarHBondContact O-N 3.3Å; A220-I223 PolarHBondContact O-N 3.36Å; A220-I223 VanDerWaalsContact O-N 3.17Å; A220-T224 PolarHBondContact O-N 3.44Å; A220-T224 PolarHBondContact O-OG1 3.14Å
221G93.1Very high88.6Confident33 Ų3373.5 Ų73.534%0.3443%0.432SS..Hα-helixtrans-59.4-42.4175.200000113.2L217 Y218 I223 T224 V225L217-G221 PolarHBondContact O-N 3.49Å; Y218-G221 PolarHBondContact O-N 2.88Å; G221-I223 VanDerWaalsContact C-N 3.33Å; G221-I223 PolarHBondContact O-N 3.31Å; G221-T224 WeakPolarHBondContact O-CB 3.03Å; G221-T224 PolarHBondContact O-N 2.9Å; G221-V225 WeakPolarHBondContact O-CG2 3.34Å; G221-V225 PolarHBondContact O-N 3.22Å
222C90.6Very high88.2Confident58 Ų5875.3 Ų75.339%0.39244%0.439SS..Hα-helixtrans-59.8-41.4174.4-71.40000112.1Y218 G219 A220 V225 A226Y218-C222 PolarHBondContact O-N 3.43Å; Y218-C222 PolarHBondContact O-SG 2.91Å; G219-C222 PolarHBondContact O-N 3.5Å; A220-C222 PolarHBondContact O-N 3.3Å; C222-V225 PolarHBondContact O-N 3.26Å; C222-A226 WeakPolarHBondContact O-CB 3.49Å; C222-A226 PolarHBondContact O-N 3.5Å
223I90.9Very high87.4Confident124 Ų12478.4 Ų78.464%0.63646%0.461SS*.Hα-helixtrans-65.3-42.1176.2-65.7167.7000110.6G219 A220 G221 A226 A227G219-I223 WeakPolarHBondContact O-CG1 3.05Å; G219-I223 PolarHBondContact O-N 3.01Å; G219-I223 VanDerWaalsContact O-N 3.14Å; A220-I223 PolarHBondContact O-N 3.36Å; A220-I223 VanDerWaalsContact O-N 3.17Å; G221-I223 VanDerWaalsContact C-N 3.33Å; G221-I223 PolarHBondContact O-N 3.31Å; I223-A226 PolarHBondContact O-N 3.32Å; I223-A227 PolarHBondContact O-N 3.27Å
224T90.9Very high86.4Confident83 Ų8382.4 Ų82.451%0.50947%0.465SS..Hα-helixtrans-60.5-47.3175.7-560000111.5A220 G221 A226 A227 L228A220-T224 PolarHBondContact O-N 3.44Å; A220-T224 PolarHBondContact O-OG1 3.14Å; G221-T224 WeakPolarHBondContact O-CB 3.03Å; G221-T224 PolarHBondContact O-N 2.9Å; T224-A226 VanDerWaalsContact C-N 3.33Å; T224-A226 PolarHBondContact O-N 2.9Å; T224-A227 PolarHBondContact O-N 2.99Å; T224-L228 HydrophobicContact CG2-CD1 4.17Å; T224-L228 WeakPolarHBondContact O-CG 3.49Å; T224-L228 PolarHBondContact O-N 2.86Å
225V89Confident85.4Confident96 Ų9682.3 Ų82.358%0.58247%0.471SS*.Hα-helixtrans-63.7-39.2177.31740000111.2G221 C222 L228 S229G221-V225 WeakPolarHBondContact O-CG2 3.34Å; G221-V225 PolarHBondContact O-N 3.22Å; C222-V225 PolarHBondContact O-N 3.26Å; V225-L228 PolarHBondContact O-N 2.93Å; V225-S229 WeakPolarHBondContact O-CB 3.39Å; V225-S229 PolarHBondContact O-N 2.93Å
226A87.9Confident85Confident54 Ų5484.4 Ų84.445%0.44648%0.482SS..Hα-helixtrans-61.7-44174.900000111.9C222 I223 T224 S229C222-A226 WeakPolarHBondContact O-CB 3.49Å; C222-A226 PolarHBondContact O-N 3.5Å; I223-A226 PolarHBondContact O-N 3.32Å; T224-A226 VanDerWaalsContact C-N 3.33Å; T224-A226 PolarHBondContact O-N 2.9Å; A226-S229 PolarHBondContact O-N 3.22Å; A226-S229 PolarHBondContact O-OG 3.35Å
227A88.1Confident84.6Confident57 Ų5781.9 Ų81.947%0.47148%0.475SS..Hα-helixtrans-63-42.4175.100000111.8I223 T224 S229 S230I223-A227 PolarHBondContact O-N 3.27Å; T224-A227 PolarHBondContact O-N 2.99Å; A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 3.36Å; A227-S230 WeakPolarHBondContact O-CB 3.47Å; A227-S230 PolarHBondContact O-N 2.89Å
228L87.1Confident83.9Confident103 Ų10379.7 Ų79.754%0.53946%0.462SS..Hα-helixtrans-65.9-33.2176.5-69.9173.7000112.6T224 V225 S230 F231T224-L228 HydrophobicContact CG2-CD1 4.17Å; T224-L228 WeakPolarHBondContact O-CG 3.49Å; T224-L228 PolarHBondContact O-N 2.86Å; V225-L228 PolarHBondContact O-N 2.93Å; L228-S230 PolarHBondContact O-N 3.31Å; L228-F231 HydrophobicContact CD2-CD2 4.44Å; L228-F231 PolarHBondContact O-N 2.94Å; L228-F231 VanDerWaalsContact O-N 3.07Å
229S83.9Confident83.4Confident34 Ų3476.9 Ų76.924%0.23846%0.455CS..Hα-helixtrans-63.7-21.5178.275.50000113.3V225 A226 A227 F231 L232V225-S229 WeakPolarHBondContact O-CB 3.39Å; V225-S229 PolarHBondContact O-N 2.93Å; A226-S229 PolarHBondContact O-N 3.22Å; A226-S229 PolarHBondContact O-OG 3.35Å; A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 3.36Å; S229-F231 PolarHBondContact O-N 3.45Å; S229-L232 WeakPolarHBondContact O-CB 3.35Å; S229-L232 PolarHBondContact O-N 2.91Å; S229-L232 VanDerWaalsContact O-N 3.16Å
230S79.5Confident83.1Confident101 Ų10179.4 Ų79.471%0.70647%0.47SS*.THydrogen-bonded Turntrans-70.7-13.7175.8-56.10000113.4A227 L228A227-S230 WeakPolarHBondContact O-CB 3.47Å; A227-S230 PolarHBondContact O-N 2.89Å; L228-S230 PolarHBondContact O-N 3.31Å
231F80.8Confident82.7Confident165 Ų16582.3 Ų82.372%0.72447%0.474SS*.THydrogen-bonded Turntrans-93.3-0.8173.4-60.5-67.3000113.2L228 S229L228-F231 HydrophobicContact CD2-CD2 4.44Å; L228-F231 PolarHBondContact O-N 2.94Å; L228-F231 VanDerWaalsContact O-N 3.07Å; S229-F231 PolarHBondContact O-N 3.45Å
232L75.3Confident82.5Confident78 Ų7883.2 Ų83.241%0.40847%0.473SS..  trans-93.6126.9-179.8-59.2170.4000109S229 W234S229-L232 WeakPolarHBondContact O-CB 3.35Å; S229-L232 PolarHBondContact O-N 2.91Å; S229-L232 VanDerWaalsContact O-N 3.16Å; L232-W234 HydrophobicContact CB-CD2 4.49Å; L232-W234 HydrophobicContact CB-CG 4.37Å; L232-W234 HydrophobicContact CD1-CZ2 3.9Å; L232-W234 VanDerWaalsContact CD1-NE1 3.31Å; L232-W234 HydrophobicContact CD2-CH2 4.46Å; L232-W234 HydrophobicContact CD2-CZ2 3.84Å; L232-W234 HydrophobicContact CG-CZ2 4.33Å; L232-W234 PolarHBondContact O-N 3.3Å
233D68.8Low82.4Confident175 Ų17585 Ų8594%0.93648%0.483SS*.  trans-76.4-10.4-179.8-61.9-51.7000113.1
234W68.5Low82.2Confident116 Ų11680.6 Ų80.644%0.43946%0.459SS..SBendtrans-82.4148175.555.748.5000112L232 V236 T288L232-W234 HydrophobicContact CB-CD2 4.49Å; L232-W234 HydrophobicContact CB-CG 4.37Å; L232-W234 HydrophobicContact CD1-CZ2 3.9Å; L232-W234 VanDerWaalsContact CD1-NE1 3.31Å; L232-W234 HydrophobicContact CD2-CH2 4.46Å; L232-W234 HydrophobicContact CD2-CZ2 3.84Å; L232-W234 HydrophobicContact CG-CZ2 4.33Å; L232-W234 PolarHBondContact O-N 3.3Å; W234-V236 PolarHBondContact O-N 3.21Å; W234-T288 HydrophobicContact CE3-CG2 3.9Å; W234-T288 HydrophobicContact CH2-CG2 3.91Å; W234-T288 HydrophobicContact CZ3-CG2 3.23Å
235G70.9Confident82.1Confident24 Ų2478.2 Ų78.225%0.24745%0.451CS..  trans-59.3135.9175.700000112L237 Q238 G239G235-L237 VanDerWaalsContact C-N 3.25Å; G235-L237 PolarHBondContact O-N 3.48Å; G235-Q238 WeakPolarHBondContact O-CB 3.32Å; G235-Q238 PolarHBondContact O-N 3.37Å; G235-G239 PolarHBondContact O-N 3.35Å; G235-G239 VanDerWaalsContact O-N 3.17Å
236V80.1Confident82.2Confident68 Ų6874.4 Ų74.441%0.41243%0.428SS..Hα-helixtrans-59.5-37.6-172.5177.70000112D146 W234 Q238 G239 S240D146-V236 WeakPolarHBondContact OD2-CG2 3.39Å; W234-V236 PolarHBondContact O-N 3.21Å; V236-Q238 VanDerWaalsContact C-N 3.33Å; V236-Q238 PolarHBondContact O-N 3.13Å; V236-G239 PolarHBondContact O-N 3.16Å; V236-S240 WeakPolarHBondContact O-CB 3.42Å; V236-S240 PolarHBondContact O-N 2.88Å; V236-S240 PolarHBondContact O-OG 2.84Å
237L80.3Confident82.4Confident104 Ų10475.5 Ų75.555%0.54543%0.429SS..Hα-helixtrans-60-43.2177.1-169.479.5000111.9G235 S240 F241G235-L237 VanDerWaalsContact C-N 3.25Å; G235-L237 PolarHBondContact O-N 3.48Å; L237-S240 PolarHBondContact O-N 2.73Å; L237-F241 HydrophobicContact CD1-CE2 4.08Å; L237-F241 HydrophobicContact CD2-CE2 4.29Å; L237-F241 HydrophobicContact CG-CD2 4.15Å; L237-F241 HydrophobicContact CG-CE2 3.89Å; L237-F241 VanDerWaalsContact O-CD2 3.27Å; L237-F241 WeakPolarHBondContact O-CD2 3.26Å; L237-F241 PolarHBondContact O-N 3.22Å
238Q79Confident82.5Confident70 Ų7074.1 Ų74.133%0.32742%0.416SS..Hα-helixtrans-67.8-48.9-179.2-170.9179.6-8.300111.1R65 G235 V236 S240 F241 T242R65-Q238 VanDerWaalsContact CZ-CD 3.48Å; R65-Q238 VanDerWaalsContact NH1-CD 3.3Å; G235-Q238 WeakPolarHBondContact O-CB 3.32Å; G235-Q238 PolarHBondContact O-N 3.37Å; V236-Q238 VanDerWaalsContact C-N 3.33Å; V236-Q238 PolarHBondContact O-N 3.13Å; Q238-S240 PolarHBondContact O-N 3.41Å; Q238-F241 PolarHBondContact O-N 3.45Å; Q238-F241 VanDerWaalsContact O-N 3.15Å; Q238-T242 PolarHBondContact O-N 2.89Å; Q238-T242 PolarHBondContact O-OG1 3.2Å
239G83.3Confident82.7Confident12 Ų1271 Ų7112%0.12441%0.409CS..Hα-helixtrans-56.4-39.1177.900000111.8G235 V236 T242 V243G235-G239 PolarHBondContact O-N 3.35Å; G235-G239 VanDerWaalsContact O-N 3.17Å; V236-G239 PolarHBondContact O-N 3.16Å; G239-T242 PolarHBondContact O-N 3.35Å; G239-V243 WeakPolarHBondContact O-CG2 3.3Å; G239-V243 PolarHBondContact O-N 3.46Å
240S84.8Confident83.2Confident69 Ų6970 Ų7048%0.48340%0.402SS..Hα-helixtrans-62.9-47176.9-58.30000112.5V236 L237 Q238 T242 M244V236-S240 WeakPolarHBondContact O-CB 3.42Å; V236-S240 PolarHBondContact O-N 2.88Å; V236-S240 PolarHBondContact O-OG 2.84Å; L237-S240 PolarHBondContact O-N 2.73Å; Q238-S240 PolarHBondContact O-N 3.41Å; S240-T242 VanDerWaalsContact C-N 3.35Å; S240-T242 PolarHBondContact O-N 3.43Å; S240-M244 VanDerWaalsContact O-CB 3.26Å; S240-M244 WeakPolarHBondContact O-CB 3.45Å; S240-M244 PolarHBondContact O-N 2.94Å
241F84.5Confident83.9Confident104 Ų10467.7 Ų67.746%0.45638%0.383SS..Hα-helixtrans-64.1-38.4176.4-80.3-62000112.3V78 L237 Q238 M244 G245V78-F241 HydrophobicContact CG1-CE1 4.3Å; L237-F241 HydrophobicContact CD1-CE2 4.08Å; L237-F241 HydrophobicContact CD2-CE2 4.29Å; L237-F241 HydrophobicContact CG-CD2 4.15Å; L237-F241 HydrophobicContact CG-CE2 3.89Å; L237-F241 VanDerWaalsContact O-CD2 3.27Å; L237-F241 WeakPolarHBondContact O-CD2 3.26Å; L237-F241 PolarHBondContact O-N 3.22Å; Q238-F241 PolarHBondContact O-N 3.45Å; Q238-F241 VanDerWaalsContact O-N 3.15Å; F241-M244 HydrophobicContact CD1-CE 3.44Å; F241-M244 VanDerWaalsContact CD1-CE 3.44Å; F241-M244 HydrophobicContact CE1-CE 3.84Å; F241-G245 PolarHBondContact O-N 3.45Å
242T87.9Confident84.5Confident52 Ų5260.3 Ų60.332%0.31935%0.351SS..Hα-helixtrans-62.6-52.7176.6-58.20000111.4Q238 G239 S240 M244 G245 V246 A284Q238-T242 PolarHBondContact O-N 2.89Å; Q238-T242 PolarHBondContact O-OG1 3.2Å; G239-T242 PolarHBondContact O-N 3.35Å; S240-T242 VanDerWaalsContact C-N 3.35Å; S240-T242 PolarHBondContact O-N 3.43Å; T242-M244 VanDerWaalsContact C-N 3.29Å; T242-M244 PolarHBondContact O-N 2.92Å; T242-G245 PolarHBondContact O-N 2.75Å; T242-G245 VanDerWaalsContact O-N 3.14Å; T242-V246 HydrophobicContact CG2-CG2 4.49Å; T242-V246 VanDerWaalsContact O-CG2 3.3Å; T242-V246 WeakPolarHBondContact O-CG2 3.5Å; T242-V246 PolarHBondContact O-N 3.33Å; T242-A284 HydrophobicContact CG2-CB 3.85Å
243V88.1Confident85.4Confident97 Ų9758.3 Ų58.359%0.58835%0.349SS*.Hα-helixtrans-60-43.5179.3172.20000110.9G239 G245 V246 V247G239-V243 WeakPolarHBondContact O-CG2 3.3Å; G239-V243 PolarHBondContact O-N 3.46Å; V243-G245 PolarHBondContact O-N 3.37Å; V243-V246 PolarHBondContact O-N 3.09Å; V243-V247 PolarHBondContact O-N 3.13Å; V243-V247 VanDerWaalsContact O-N 3.16Å
244M87.8Confident86.6Confident30 Ų3051.4 Ų51.415%0.14831%0.314CS..Hα-helixtrans-62.1-43.2176.5-177.1-178.565.400111.7V78 M82 S240 F241 T242 S248V78-M244 HydrophobicContact CB-CE 4.2Å; V78-M244 HydrophobicContact CG1-CE 3.26Å; V78-M244 HydrophobicContact CG1-SD 4.45Å; V78-M244 HydrophobicContact CG2-CE 4Å; M82-M244 HydrophobicContact CE-CE 4.38Å; M82-M244 HydrophobicContact CE-CG 4.5Å; M82-M244 HydrophobicContact CE-SD 3.07Å; M82-M244 WeakPolarHBondContact CE-SD 3.49Å; M82-M244 HydrophobicContact CG-SD 3.9Å; M82-M244 HydrophobicContact SD-SD 3.6Å; M82-M244 VanDerWaalsContact SD-SD 3.6Å; S240-M244 VanDerWaalsContact O-CB 3.26Å; S240-M244 WeakPolarHBondContact O-CB 3.45Å; S240-M244 PolarHBondContact O-N 2.94Å; F241-M244 HydrophobicContact CD1-CE 3.44Å; F241-M244 VanDerWaalsContact CD1-CE 3.44Å; F241-M244 HydrophobicContact CE1-CE 3.84Å; T242-M244 VanDerWaalsContact C-N 3.29Å; T242-M244 PolarHBondContact O-N 2.92Å; M244-S248 WeakPolarHBondContact CG-OG 3.49Å; M244-S248 WeakPolarHBondContact O-CA 3.45Å; M244-S248 WeakPolarHBondContact O-CB 3.36Å; M244-S248 PolarHBondContact O-N 3.33Å; M244-S248 PolarHBondContact O-OG 3.36Å
245G88.6Confident87.8Confident33 Ų3350.8 Ų50.834%0.3431%0.314SS..Hα-helixtrans-60.9-45.8176.600000112.4F241 T242 V243 V247 G249F241-G245 PolarHBondContact O-N 3.45Å; T242-G245 PolarHBondContact O-N 2.75Å; T242-G245 VanDerWaalsContact O-N 3.14Å; V243-G245 PolarHBondContact O-N 3.37Å; G245-V247 VanDerWaalsContact C-N 3.34Å; G245-V247 PolarHBondContact O-N 3.41Å; G245-G249 PolarHBondContact O-N 3.47Å
246V92.1Very high88.9Confident16 Ų1652.6 Ų52.610%0.09732%0.318CS..Hα-helixtrans-60.3-41.3-178.9172.20000112.5T242 V243 P250 F277 L281 A284T242-V246 HydrophobicContact CG2-CG2 4.49Å; T242-V246 VanDerWaalsContact O-CG2 3.3Å; T242-V246 WeakPolarHBondContact O-CG2 3.5Å; T242-V246 PolarHBondContact O-N 3.33Å; V243-V246 PolarHBondContact O-N 3.09Å; V246-P250 WeakPolarHBondContact O-CD 3.46Å; V246-P250 WeakPolarHBondContact O-CG 2.95Å; V246-F277 HydrophobicContact CG1-CD2 4.25Å; V246-F277 HydrophobicContact CG1-CE2 3.96Å; V246-L281 HydrophobicContact CG1-CB 4.39Å; V246-A284 HydrophobicContact CG2-CB 3.56Å
247V90.9Very high89.5Confident77 Ų7752 Ų5247%0.46731%0.312SS..Hα-helixtrans-87.8-44.3-177.7179.80000111.4V243 G245 V251 F277V243-V247 PolarHBondContact O-N 3.13Å; V243-V247 VanDerWaalsContact O-N 3.16Å; G245-V247 VanDerWaalsContact C-N 3.34Å; G245-V247 PolarHBondContact O-N 3.41Å; V247-V251 VanDerWaalsContact O-CG2 3.29Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; V247-F277 HydrophobicContact CG2-CE2 4.34Å
248S90.4Very high90.1Very high28 Ų2849.7 Ų49.720%0.19631%0.313CS..Hα-helixtrans-80.3-29.2-169.6-43.90000112.4S81 M244 V251 L252S81-S248 VanDerWaalsContact OG-CB 3.27Å; S81-S248 WeakPolarHBondContact OG-CB 3.48Å; S81-S248 PolarHBondContact OG-O 2.87Å; M244-S248 WeakPolarHBondContact CG-OG 3.49Å; M244-S248 WeakPolarHBondContact O-CA 3.45Å; M244-S248 WeakPolarHBondContact O-CB 3.36Å; M244-S248 PolarHBondContact O-N 3.33Å; M244-S248 PolarHBondContact O-OG 3.36Å; S248-V251 PolarHBondContact O-N 2.94Å; S248-L252 VanDerWaalsContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CB 3.49Å; S248-L252 PolarHBondContact O-N 2.81Å
249G92.3Very high90.8Very high38 Ų3852.3 Ų52.339%0.39233%0.327SS..Hα-helixtrans-58.7-56.6177.500000113.3G245 V251 L252 G253G245-G249 PolarHBondContact O-N 3.47Å; G249-V251 VanDerWaalsContact C-N 3.3Å; G249-V251 PolarHBondContact O-N 3.43Å; G249-L252 PolarHBondContact O-N 2.92Å; G249-G253 PolarHBondContact O-N 3.37Å
250P94.2Very high91.3Very high13 Ų1359.1 Ų59.18%0.08435%0.354CS..Hα-helixtrans-60.8-37.8177.9-25.134.9000113.1V246 G253 V254 G276 F277V246-P250 WeakPolarHBondContact O-CD 3.46Å; V246-P250 WeakPolarHBondContact O-CG 2.95Å; P250-G253 PolarHBondContact O-N 3.44Å; P250-V254 PolarHBondContact O-N 2.98Å; P250-V254 VanDerWaalsContact O-N 3.14Å; P250-G276 VanDerWaalsContact CG-C 3.46Å; P250-F277 HydrophobicContact CG-CB 4.32Å
251V93Very high91.8Very high52 Ų5259.1 Ų59.132%0.31535%0.35SS..Hα-helixtrans-63.2-51.1176.6172.10000110.4V85 V247 S248 G249 G253 V254 F255V85-V251 HydrophobicContact CG1-CG1 3.72Å; V247-V251 VanDerWaalsContact O-CG2 3.29Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; S248-V251 PolarHBondContact O-N 2.94Å; G249-V251 VanDerWaalsContact C-N 3.3Å; G249-V251 PolarHBondContact O-N 3.43Å; V251-G253 VanDerWaalsContact C-N 3.28Å; V251-G253 PolarHBondContact O-N 2.95Å; V251-V254 PolarHBondContact O-N 3.11Å; V251-F255 HydrophobicContact CG1-CD2 4.17Å; V251-F255 HydrophobicContact CG1-CE2 4.14Å; V251-F255 WeakPolarHBondContact O-CD2 3.44Å; V251-F255 PolarHBondContact O-N 3.21Å; V251-F255 VanDerWaalsContact O-N 3.12Å
252L94Very high91.9Very high10 Ų1060.8 Ų60.85%0.05237%0.372CS..Hα-helixtrans-56.5-43.2175175.864.3000111.5M77 L80 V85 S248 G249 V254 F255 I256M77-L252 HydrophobicContact SD-CD2 4.13Å; L80-L252 HydrophobicContact CB-CD2 4.44Å; L80-L252 HydrophobicContact CD2-CD1 4.18Å; L80-L252 HydrophobicContact CD2-CD2 4.28Å; L80-L252 HydrophobicContact CG-CD1 4.02Å; L80-L252 HydrophobicContact CG-CD2 4.38Å; V85-L252 HydrophobicContact CG2-CD1 3.7Å; S248-L252 VanDerWaalsContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CB 3.49Å; S248-L252 PolarHBondContact O-N 2.81Å; G249-L252 PolarHBondContact O-N 2.92Å; L252-V254 VanDerWaalsContact C-N 3.31Å; L252-V254 PolarHBondContact O-N 2.68Å; L252-F255 PolarHBondContact O-N 2.94Å; L252-F255 VanDerWaalsContact O-N 3.17Å; L252-I256 HydrophobicContact CD1-CD1 4.02Å; L252-I256 HydrophobicContact CD1-CG1 4.17Å; L252-I256 HydrophobicContact CD2-CD1 4.42Å; L252-I256 HydrophobicContact CG-CD1 3.87Å; L252-I256 HydrophobicContact CG-CG1 4.41Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 3.29Å
253G94.1Very high92Very high36 Ų3661.4 Ų61.437%0.37139%0.388SS..Hα-helixtrans-55.7-43.6178.100000113G249 P250 V251 I256 L257G249-G253 PolarHBondContact O-N 3.37Å; P250-G253 PolarHBondContact O-N 3.44Å; V251-G253 VanDerWaalsContact C-N 3.28Å; V251-G253 PolarHBondContact O-N 2.95Å; G253-I256 PolarHBondContact O-N 2.95Å; G253-L257 VanDerWaalsContact O-CB 3.32Å; G253-L257 WeakPolarHBondContact O-CB 3.27Å; G253-L257 PolarHBondContact O-N 3.5Å
254V94.4Very high92.2Very high30 Ų3059.1 Ų59.118%0.18237%0.374CS..Hα-helixtrans-73.6-32177.51670000113.6P250 V251 L252 L257 G258 A269 I273P250-V254 PolarHBondContact O-N 2.98Å; P250-V254 VanDerWaalsContact O-N 3.14Å; V251-V254 PolarHBondContact O-N 3.11Å; L252-V254 VanDerWaalsContact C-N 3.31Å; L252-V254 PolarHBondContact O-N 2.68Å; V254-L257 PolarHBondContact O-N 3.22Å; V254-G258 PolarHBondContact O-N 3.49Å; V254-A269 HydrophobicContact CG1-CB 4.08Å; V254-I273 HydrophobicContact CB-CD1 4.07Å; V254-I273 HydrophobicContact CB-CG1 3.92Å; V254-I273 HydrophobicContact CG1-CD1 4.12Å; V254-I273 HydrophobicContact CG1-CG1 4.41Å; V254-I273 HydrophobicContact CG2-CB 4.5Å; V254-I273 HydrophobicContact CG2-CD1 3.9Å; V254-I273 HydrophobicContact CG2-CG1 3.26Å
255F92.9Very high92.5Very high104 Ų10462.4 Ų62.446%0.45639%0.393SS..Hα-helixtrans-63.3-44.8170.8-90.1-101.1000111.5V85 V251 L252 G258 M259V85-F255 HydrophobicContact CG1-CB 4.46Å; V85-F255 HydrophobicContact CG1-CD1 3.92Å; V85-F255 HydrophobicContact CG1-CD2 3.29Å; V85-F255 HydrophobicContact CG1-CE1 3.89Å; V85-F255 HydrophobicContact CG1-CE2 3.24Å; V85-F255 HydrophobicContact CG1-CG 3.62Å; V85-F255 HydrophobicContact CG1-CZ 3.55Å; V85-F255 HydrophobicContact CG2-CB 4.4Å; V85-F255 HydrophobicContact CG2-CG 4.32Å; V251-F255 HydrophobicContact CG1-CD2 4.17Å; V251-F255 HydrophobicContact CG1-CE2 4.14Å; V251-F255 WeakPolarHBondContact O-CD2 3.44Å; V251-F255 PolarHBondContact O-N 3.21Å; V251-F255 VanDerWaalsContact O-N 3.12Å; L252-F255 PolarHBondContact O-N 2.94Å; L252-F255 VanDerWaalsContact O-N 3.17Å; F255-G258 PolarHBondContact O-N 3.1Å; F255-M259 HydrophobicContact CB-CE 4.18Å; F255-M259 WeakPolarHBondContact O-CB 3.47Å; F255-M259 WeakPolarHBondContact O-CE 3.34Å; F255-M259 WeakPolarHBondContact O-CG 3.35Å; F255-M259 PolarHBondContact O-N 3.41Å
256I93.6Very high92.7Very high62 Ų6270.9 Ų70.932%0.31841%0.414SS..Hα-helixtrans-61.5-47.4175.6-67.8172.1000110.3L252 G253 G258 M259 F260L252-I256 HydrophobicContact CD1-CD1 4.02Å; L252-I256 HydrophobicContact CD1-CG1 4.17Å; L252-I256 HydrophobicContact CD2-CD1 4.42Å; L252-I256 HydrophobicContact CG-CD1 3.87Å; L252-I256 HydrophobicContact CG-CG1 4.41Å; L252-I256 WeakPolarHBondContact O-CG1 3.36Å; L252-I256 PolarHBondContact O-N 3.29Å; G253-I256 PolarHBondContact O-N 2.95Å; I256-G258 PolarHBondContact O-N 3.1Å; I256-M259 PolarHBondContact O-N 3.37Å; I256-F260 HydrophobicContact CG2-CD2 3.95Å; I256-F260 WeakPolarHBondContact O-CD2 3.38Å; I256-F260 PolarHBondContact O-N 3.3Å
257L93.7Very high92.8Very high55 Ų5576.8 Ų76.829%0.28845%0.445SS..Hα-helixtrans-56.9-48.4177.5-175.267.6000111.3G253 V254 M259 V261 T264G253-L257 VanDerWaalsContact O-CB 3.32Å; G253-L257 WeakPolarHBondContact O-CB 3.27Å; G253-L257 PolarHBondContact O-N 3.5Å; V254-L257 PolarHBondContact O-N 3.22Å; L257-M259 PolarHBondContact O-N 3.17Å; L257-V261 HydrophobicContact CD1-CB 3.85Å; L257-V261 HydrophobicContact CD1-CG1 4.19Å; L257-V261 HydrophobicContact CD1-CG2 3.84Å; L257-V261 WeakPolarHBondContact O-CA 3.3Å; L257-V261 VanDerWaalsContact O-CB 3.31Å; L257-V261 WeakPolarHBondContact O-CB 3.38Å; L257-V261 PolarHBondContact O-N 3.48Å; L257-T264 HydrophobicContact CD2-CG2 3.73Å; L257-T264 HydrophobicContact CG-CG2 3.7Å; L257-T264 WeakPolarHBondContact CG-OG1 3.36Å; L257-T264 PolarHBondContact O-OG1 3.48Å
258G92.8Very high92.9Very high56 Ų5674.4 Ų74.458%0.57744%0.436SS*.Hα-helixtrans-65.4-32.5178.500000114.7V254 F255 I256V254-G258 PolarHBondContact O-N 3.49Å; F255-G258 PolarHBondContact O-N 3.1Å; I256-G258 PolarHBondContact O-N 3.1Å
259M93.2Very high93.1Very high125 Ų12574 Ų7462%0.61643%0.434SS*.Hα-helixtrans-80.6-40.8179.5-75.2-174.6-73.800113.2F255 I256 L257F255-M259 HydrophobicContact CB-CE 4.18Å; F255-M259 WeakPolarHBondContact O-CB 3.47Å; F255-M259 WeakPolarHBondContact O-CE 3.34Å; F255-M259 WeakPolarHBondContact O-CG 3.35Å; F255-M259 PolarHBondContact O-N 3.41Å; I256-M259 PolarHBondContact O-N 3.37Å; L257-M259 PolarHBondContact O-N 3.17Å
260F94.6Very high93.3Very high155 Ų15580.4 Ų80.468%0.6845%0.448SS*.Hα-helixtrans-108.9-17.1-167.2-64.4-74.2000114.3I256 P262I256-F260 HydrophobicContact CG2-CD2 3.95Å; I256-F260 WeakPolarHBondContact O-CD2 3.38Å; I256-F260 PolarHBondContact O-N 3.3Å; F260-P262 WeakPolarHBondContact O-CD 3.44Å
261V94.4Very high93.3Very high69 Ų6983.1 Ų83.142%0.41847%0.467SS..  trans-110.7100.1-177.3-175.80000110.3L257 G263 T264L257-V261 HydrophobicContact CD1-CB 3.85Å; L257-V261 HydrophobicContact CD1-CG1 4.19Å; L257-V261 HydrophobicContact CD1-CG2 3.84Å; L257-V261 WeakPolarHBondContact O-CA 3.3Å; L257-V261 VanDerWaalsContact O-CB 3.31Å; L257-V261 WeakPolarHBondContact O-CB 3.38Å; L257-V261 PolarHBondContact O-N 3.48Å; V261-G263 PolarHBondContact O-N 3.02Å; V261-T264 WeakPolarHBondContact CB-OG1 3.33Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.02Å; V261-T264 PolarHBondContact O-OG1 3.34Å
262P88Confident93.4Very high139 Ų13982.2 Ų82.290%0.90347%0.468SS*.THydrogen-bonded Turntrans-67.9-17.2-174.425-33.4000114.2F260 T264F260-P262 WeakPolarHBondContact O-CD 3.44Å; P262-T264 VanDerWaalsContact C-N 3.31Å; P262-T264 PolarHBondContact O-N 2.96Å
263G88.7Confident93.4Very high65 Ų6584.9 Ų84.967%0.6748%0.482SS*.THydrogen-bonded Turntrans-85.17.1176.600000115.2V261 N265V261-G263 PolarHBondContact O-N 3.02Å; G263-N265 PolarHBondContact O-N 3.28Å
264T92.3Very high93.5Very high48 Ų4888.6 Ų88.629%0.29449%0.493SS..  trans-69.3126.8-174.4-58.20000111.4L257 V261 P262L257-T264 HydrophobicContact CD2-CG2 3.73Å; L257-T264 HydrophobicContact CG-CG2 3.7Å; L257-T264 WeakPolarHBondContact CG-OG1 3.36Å; L257-T264 PolarHBondContact O-OG1 3.48Å; V261-T264 WeakPolarHBondContact CB-OG1 3.33Å; V261-T264 WeakPolarHBondContact O-CB 3.39Å; V261-T264 PolarHBondContact O-N 3.02Å; V261-T264 PolarHBondContact O-OG1 3.34Å; P262-T264 VanDerWaalsContact C-N 3.31Å; P262-T264 PolarHBondContact O-N 2.96Å
265N94.3Very high93.6Very high99 Ų9989.8 Ų89.853%0.52951%0.506SS..  trans-108.7161.4175.669.753.4000111.1G263 L267 G268 A269G263-N265 PolarHBondContact O-N 3.28Å; N265-L267 VanDerWaalsContact C-N 3.31Å; N265-L267 PolarHBondContact O-N 3.48Å; N265-L267 PolarHBondContact OD1-N 3.25Å; N265-G268 PolarHBondContact O-N 3.13Å; N265-G268 PolarHBondContact OD1-N 3.38Å; N265-A269 PolarHBondContact O-N 3.02Å
266R93.3Very high93.7Very high211 Ų21186 Ų8680%0.79650%0.496SS*.Hα-helixtrans-60.4-39.7-176.5-60.9-179.5-172.3171.11.9112.6A269 Y270R266-A269 PolarHBondContact O-N 3.28Å; R266-Y270 HydrophobicContact CB-CE2 4.4Å; R266-Y270 WeakPolarHBondContact O-CD2 3.47Å; R266-Y270 PolarHBondContact O-N 3.45Å
267L94.2Very high93.8Very high141 Ų14186.9 Ų86.974%0.73850%0.498SS*.Hα-helixtrans-66.4-41-179.6-69.2172.9000111.7N265 Y270 S271N265-L267 VanDerWaalsContact C-N 3.31Å; N265-L267 PolarHBondContact O-N 3.48Å; N265-L267 PolarHBondContact OD1-N 3.25Å; L267-Y270 PolarHBondContact O-N 3.41Å; L267-S271 WeakPolarHBondContact O-CB 3.15Å; L267-S271 PolarHBondContact O-N 2.65Å; L267-S271 PolarHBondContact O-OG 3.27Å; L267-S271 VanDerWaalsContact O-OG 3.09Å
268G92.9Very high93.9Very high27 Ų2787.6 Ų87.628%0.27851%0.506SS..Hα-helixtrans-66.8-37.6176.300000112.6N265 S271 G272N265-G268 PolarHBondContact O-N 3.13Å; N265-G268 PolarHBondContact OD1-N 3.38Å; G268-S271 WeakPolarHBondContact CA-OG 3.49Å; G268-S271 PolarHBondContact O-OG 3.47Å; G268-G272 PolarHBondContact O-N 3Å
269A94.9Very high94.1Very high19 Ų1989 Ų8916%0.15750%0.504CS..Hα-helixtrans-64.1-48.8172.400000111.4V254 N265 R266 G272 I273V254-A269 HydrophobicContact CG1-CB 4.08Å; N265-A269 PolarHBondContact O-N 3.02Å; R266-A269 PolarHBondContact O-N 3.28Å; A269-G272 PolarHBondContact O-N 2.86Å; A269-I273 WeakPolarHBondContact O-CG1 3.17Å; A269-I273 PolarHBondContact O-N 3.37Å
270Y94.9Very high94.1Very high172 Ų17284.6 Ų84.668%0.67549%0.485SS*.Hα-helixtrans-64.6-43.6178.8-71.7-53.7000113R266 L267 G272 I273 L274R266-Y270 HydrophobicContact CB-CE2 4.4Å; R266-Y270 WeakPolarHBondContact O-CD2 3.47Å; R266-Y270 PolarHBondContact O-N 3.45Å; L267-Y270 PolarHBondContact O-N 3.41Å; Y270-G272 VanDerWaalsContact C-N 3.32Å; Y270-I273 PolarHBondContact O-N 2.92Å; Y270-L274 WeakPolarHBondContact O-CB 3.49Å; Y270-L274 PolarHBondContact O-N 3.46Å
271S94.8Very high94.1Very high71 Ų7181 Ų8150%0.49747%0.472SS..Hα-helixtrans-65.7-37.4177.2660000111.6L267 G268 L274 A275L267-S271 WeakPolarHBondContact O-CB 3.15Å; L267-S271 PolarHBondContact O-N 2.65Å; L267-S271 PolarHBondContact O-OG 3.27Å; L267-S271 VanDerWaalsContact O-OG 3.09Å; G268-S271 WeakPolarHBondContact CA-OG 3.49Å; G268-S271 PolarHBondContact O-OG 3.47Å; S271-L274 PolarHBondContact O-N 2.9Å; S271-A275 WeakPolarHBondContact O-CB 3.34Å; S271-A275 PolarHBondContact O-N 3.3Å
272G94.8Very high94.1Very high33 Ų3384.5 Ų84.534%0.3448%0.478SS..Hα-helixtrans-62.7-46.4175.500000113.2G268 A269 Y270 G276G268-G272 PolarHBondContact O-N 3Å; A269-G272 PolarHBondContact O-N 2.86Å; Y270-G272 VanDerWaalsContact C-N 3.32Å; G272-G276 PolarHBondContact O-N 3.3Å
273I95.1Very high94.2Very high65 Ų6582.3 Ų82.333%0.33346%0.459SS..Hα-helixtrans-60.9-48.9174.9-66177.7000110.3V254 A269 Y270 G276 F277V254-I273 HydrophobicContact CB-CD1 4.07Å; V254-I273 HydrophobicContact CB-CG1 3.92Å; V254-I273 HydrophobicContact CG1-CD1 4.12Å; V254-I273 HydrophobicContact CG1-CG1 4.41Å; V254-I273 HydrophobicContact CG2-CB 4.5Å; V254-I273 HydrophobicContact CG2-CD1 3.9Å; V254-I273 HydrophobicContact CG2-CG1 3.26Å; A269-I273 WeakPolarHBondContact O-CG1 3.17Å; A269-I273 PolarHBondContact O-N 3.37Å; Y270-I273 PolarHBondContact O-N 2.92Å; I273-G276 PolarHBondContact O-N 3.44Å; I273-F277 VanDerWaalsContact O-CB 3.25Å; I273-F277 WeakPolarHBondContact O-CB 3.44Å; I273-F277 PolarHBondContact O-N 2.92Å
274L95.9Very high94.3Very high114 Ų11480 Ų8060%0.59743%0.433SS*.Hα-helixtrans-63.9-48.6-175.8-176.962.2000111.3Y270 S271 F277 C278Y270-L274 WeakPolarHBondContact O-CB 3.49Å; Y270-L274 PolarHBondContact O-N 3.46Å; S271-L274 PolarHBondContact O-N 2.9Å; L274-F277 PolarHBondContact O-N 3.46Å; L274-C278 WeakPolarHBondContact O-CB 3.4Å; L274-C278 PolarHBondContact O-N 3.16Å; L274-C278 PolarHBondContact O-SG 3.17Å
275A95.9Very high94.2Very high56 Ų5680.9 Ų80.946%0.46344%0.438SS..Hα-helixtrans-61.9-46.6177.200000111.4S271 F277 C278 V279S271-A275 WeakPolarHBondContact O-CB 3.34Å; S271-A275 PolarHBondContact O-N 3.3Å; A275-F277 VanDerWaalsContact C-N 3.33Å; A275-F277 PolarHBondContact O-N 3.32Å; A275-C278 PolarHBondContact O-N 2.96Å; A275-V279 WeakPolarHBondContact O-CG2 3.46Å; A275-V279 PolarHBondContact O-N 3.14Å
276G95.8Very high93.9Very high24 Ų2477.4 Ų77.425%0.24743%0.426CS..Hα-helixtrans-60.5-41.6177.700000112.5P250 G272 I273 S280P250-G276 VanDerWaalsContact CG-C 3.46Å; G272-G276 PolarHBondContact O-N 3.3Å; I273-G276 PolarHBondContact O-N 3.44Å; G276-S280 VanDerWaalsContact O-CB 3.28Å; G276-S280 WeakPolarHBondContact O-CB 3.43Å; G276-S280 PolarHBondContact O-N 2.87Å; G276-S280 PolarHBondContact O-OG 3.3Å
277F95.6Very high93.5Very high81 Ų8170.3 Ų70.336%0.35541%0.409SS..Hα-helixtrans-65.6-45.9175.9-177.5-98.7000111.7V246 V247 P250 I273 L274 A275 V279 S280 L281V246-F277 HydrophobicContact CG1-CD2 4.25Å; V246-F277 HydrophobicContact CG1-CE2 3.96Å; V247-F277 HydrophobicContact CG2-CE2 4.34Å; P250-F277 HydrophobicContact CG-CB 4.32Å; I273-F277 VanDerWaalsContact O-CB 3.25Å; I273-F277 WeakPolarHBondContact O-CB 3.44Å; I273-F277 PolarHBondContact O-N 2.92Å; L274-F277 PolarHBondContact O-N 3.46Å; A275-F277 VanDerWaalsContact C-N 3.33Å; A275-F277 PolarHBondContact O-N 3.32Å; F277-V279 PolarHBondContact O-N 3.31Å; F277-S280 PolarHBondContact O-N 3.09Å; F277-L281 HydrophobicContact CE1-CD2 4.13Å; F277-L281 WeakPolarHBondContact O-CB 3.45Å; F277-L281 PolarHBondContact O-N 3.24Å
278C96.5Very high92.9Very high69 Ų6966.4 Ų66.447%0.46639%0.391SS..Hα-helixtrans-60.7-45.4177.4-72.70000112.3L274 A275 L281 W282L274-C278 WeakPolarHBondContact O-CB 3.4Å; L274-C278 PolarHBondContact O-N 3.16Å; L274-C278 PolarHBondContact O-SG 3.17Å; A275-C278 PolarHBondContact O-N 2.96Å; C278-L281 PolarHBondContact O-N 3.49Å; C278-W282 VanDerWaalsContact O-CB 3.31Å; C278-W282 WeakPolarHBondContact O-CB 3.18Å; C278-W282 PolarHBondContact O-N 3.35Å
279V95.5Very high92.6Very high87 Ų8770.8 Ų70.853%0.52741%0.407SS..Hα-helixtrans-64.3-45.4177.2172.10000110.7A275 F277 L281 W282 L283A275-V279 WeakPolarHBondContact O-CG2 3.46Å; A275-V279 PolarHBondContact O-N 3.14Å; F277-V279 PolarHBondContact O-N 3.31Å; V279-L281 VanDerWaalsContact C-N 3.34Å; V279-L281 PolarHBondContact O-N 3.36Å; V279-W282 WeakPolarHBondContact O-CB 3.41Å; V279-W282 PolarHBondContact O-N 3.27Å; V279-L283 HydrophobicContact CG1-CD1 4.14Å; V279-L283 WeakPolarHBondContact O-CG 3.4Å; V279-L283 PolarHBondContact O-N 2.77Å
280S94.3Very high92.2Very high32 Ų3277 Ų7722%0.22443%0.433CS..Hα-helixtrans-64.7-40.3179.6-55.20000111.8G276 F277 L283 A284G276-S280 VanDerWaalsContact O-CB 3.28Å; G276-S280 WeakPolarHBondContact O-CB 3.43Å; G276-S280 PolarHBondContact O-N 2.87Å; G276-S280 PolarHBondContact O-OG 3.3Å; F277-S280 PolarHBondContact O-N 3.09Å; S280-L283 PolarHBondContact O-N 3.26Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 3.19Å
281L93.9Very high91.5Very high79 Ų7973 Ų7341%0.41443%0.428SS..Hα-helixtrans-65.3-43.2175.7-176.964.5000111.3V246 F277 C278 V279 L283 A284 V285V246-L281 HydrophobicContact CG1-CB 4.39Å; F277-L281 HydrophobicContact CE1-CD2 4.13Å; F277-L281 WeakPolarHBondContact O-CB 3.45Å; F277-L281 PolarHBondContact O-N 3.24Å; C278-L281 PolarHBondContact O-N 3.49Å; V279-L281 VanDerWaalsContact C-N 3.34Å; V279-L281 PolarHBondContact O-N 3.36Å; L281-L283 PolarHBondContact O-N 2.97Å; L281-A284 PolarHBondContact O-N 3.16Å; L281-V285 HydrophobicContact CD1-CG2 4.17Å; L281-V285 HydrophobicContact CG-CG2 4.41Å; L281-V285 WeakPolarHBondContact O-CB 3.44Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.46Å; L281-V285 PolarHBondContact O-N 3.47Å
282W94.1Very high90.8Very high143 Ų14371.6 Ų71.654%0.54242%0.417SS..Hα-helixtrans-58-47.5174.9175.1-96.6000111.5C278 V279 G286 F341 I345C278-W282 VanDerWaalsContact O-CB 3.31Å; C278-W282 WeakPolarHBondContact O-CB 3.18Å; C278-W282 PolarHBondContact O-N 3.35Å; V279-W282 WeakPolarHBondContact O-CB 3.41Å; V279-W282 PolarHBondContact O-N 3.27Å; W282-G286 PolarHBondContact O-N 3.38Å; W282-F341 HydrophobicContact CH2-CZ 4.32Å; W282-F341 HydrophobicContact CZ2-CZ 4.28Å; W282-I345 HydrophobicContact CZ2-CD1 4.08Å; W282-I345 HydrophobicContact CZ2-CG1 4.47Å
283L91.4Very high90.2Very high93 Ų9373 Ų7349%0.48742%0.421SS..Hα-helixtrans-63.6-43.6177.2-71173.3000112.1V279 S280 L281 G286 S287V279-L283 HydrophobicContact CG1-CD1 4.14Å; V279-L283 WeakPolarHBondContact O-CG 3.4Å; V279-L283 PolarHBondContact O-N 2.77Å; S280-L283 PolarHBondContact O-N 3.26Å; L281-L283 PolarHBondContact O-N 2.97Å; L283-G286 PolarHBondContact O-N 3.17Å; L283-S287 WeakPolarHBondContact O-CB 3.48Å; L283-S287 PolarHBondContact O-N 3.44Å; L283-S287 PolarHBondContact O-OG 3.19Å
284A89.8Confident89.5Confident16 Ų1676.8 Ų76.813%0.13244%0.438CS..Hα-helixtrans-61.4-51.6177.800000111.1T242 V246 S280 L281 G286 S287 T288T242-A284 HydrophobicContact CG2-CB 3.85Å; V246-A284 HydrophobicContact CG2-CB 3.56Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 3.19Å; L281-A284 PolarHBondContact O-N 3.16Å; A284-G286 PolarHBondContact O-N 3.16Å; A284-S287 PolarHBondContact O-N 2.84Å; A284-S287 PolarHBondContact O-OG 3.48Å; A284-T288 WeakPolarHBondContact O-CG2 3.09Å; A284-T288 PolarHBondContact O-N 2.69Å; A284-T288 VanDerWaalsContact O-N 3.13Å; A284-T288 PolarHBondContact O-OG1 3.16Å
285V89.8Confident88.6Confident66 Ų6679.8 Ų79.840%0.445%0.449SS..Hα-helixtrans-62-44.6177.8174.40000110.8L281 S287 T288 L289L281-V285 HydrophobicContact CD1-CG2 4.17Å; L281-V285 HydrophobicContact CG-CG2 4.41Å; L281-V285 WeakPolarHBondContact O-CB 3.44Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.46Å; L281-V285 PolarHBondContact O-N 3.47Å; V285-S287 PolarHBondContact O-N 3.27Å; V285-T288 WeakPolarHBondContact CA-OG1 3.43Å; V285-T288 PolarHBondContact O-N 2.94Å; V285-T288 VanDerWaalsContact O-N 3.09Å; V285-T288 PolarHBondContact O-OG1 2.96Å; V285-L289 HydrophobicContact CG1-CD1 3.66Å; V285-L289 HydrophobicContact CG1-CG 4.13Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 3.44Å
286G88.4Confident87.8Confident27 Ų2779 Ų7928%0.27844%0.438SS..Hα-helixtrans-57.3-45.9176.800000112.9W282 L283 A284 T288 L289 H290W282-G286 PolarHBondContact O-N 3.38Å; L283-G286 PolarHBondContact O-N 3.17Å; A284-G286 PolarHBondContact O-N 3.16Å; G286-T288 PolarHBondContact O-N 3.14Å; G286-L289 PolarHBondContact O-N 3.3Å; G286-H290 PolarHBondContact O-N 3.07Å
287S84.9Confident86.9Confident62 Ų6280.1 Ų80.143%0.43444%0.438SS..Hα-helixtrans-64.1-28.6177.175.20000113.3L283 A284 V285 P291L283-S287 WeakPolarHBondContact O-CB 3.48Å; L283-S287 PolarHBondContact O-N 3.44Å; L283-S287 PolarHBondContact O-OG 3.19Å; A284-S287 PolarHBondContact O-N 2.84Å; A284-S287 PolarHBondContact O-OG 3.48Å; V285-S287 PolarHBondContact O-N 3.27Å; S287-P291 WeakPolarHBondContact O-CA 3.49Å
288T82.5Confident85.9Confident58 Ų5878.6 Ų78.636%0.35644%0.444SS..Hα-helixtrans-83.1-34.217858.60000113.4W234 A284 V285 G286W234-T288 HydrophobicContact CE3-CG2 3.9Å; W234-T288 HydrophobicContact CH2-CG2 3.91Å; W234-T288 HydrophobicContact CZ3-CG2 3.23Å; A284-T288 WeakPolarHBondContact O-CG2 3.09Å; A284-T288 PolarHBondContact O-N 2.69Å; A284-T288 VanDerWaalsContact O-N 3.13Å; A284-T288 PolarHBondContact O-OG1 3.16Å; V285-T288 WeakPolarHBondContact CA-OG1 3.43Å; V285-T288 PolarHBondContact O-N 2.94Å; V285-T288 VanDerWaalsContact O-N 3.09Å; V285-T288 PolarHBondContact O-OG1 2.96Å; G286-T288 PolarHBondContact O-N 3.14Å
289L85.9Confident85.1Confident120 Ų12079.4 Ų79.463%0.62845%0.447SS*.Hα-helixtrans-79.1-32.9178.6-68.7176.3000112V285 G286 P291V285-L289 HydrophobicContact CG1-CD1 3.66Å; V285-L289 HydrophobicContact CG1-CG 4.13Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 3.44Å; G286-L289 PolarHBondContact O-N 3.3Å; L289-P291 VanDerWaalsContact C-CD 3.48Å; L289-P291 WeakPolarHBondContact O-CD 3.49Å
290H85.7Confident84.4Confident150 Ų15078 Ų7869%0.69444%0.436SS*.SBendtrans-125.970.5-179.8-56.791.2000109.9G286G286-H290 PolarHBondContact O-N 3.07Å
291P81.1Confident83.7Confident88 Ų8880.5 Ų80.557%0.57145%0.452SS*.PPolyproline II helixtrans-63.2140.4179.326.6-33.7000110.5S287 L289S287-P291 WeakPolarHBondContact O-CA 3.49Å; L289-P291 VanDerWaalsContact C-CD 3.48Å; L289-P291 WeakPolarHBondContact O-CD 3.49Å
292P80.9Confident83Confident40 Ų4078.2 Ų78.226%0.2644%0.442SS..PPolyproline II helixtrans-61.6157.1171-11.223.9000110.7R63 T296 M297R63-P292 HydrophobicContact CB-CB 4.26Å; R63-P292 HydrophobicContact CB-CG 4.05Å; P292-T296 HydrophobicContact CB-CG2 3.99Å; P292-M297 HydrophobicContact CB-CG 3.94Å; P292-M297 HydrophobicContact CG-CG 4.13Å; P292-M297 WeakPolarHBondContact O-CE 3.34Å
293S81.7Confident82.5Confident63 Ų6376.3 Ų76.344%0.44144%0.438SS..PPolyproline II helixtrans-61.3154.8174.266.30000111.3E295 T296 M297S293-E295 PolarHBondContact O-N 2.96Å; S293-T296 WeakPolarHBondContact O-CA 3.32Å; S293-T296 WeakPolarHBondContact O-CB 3.08Å; S293-T296 PolarHBondContact O-N 3.28Å; S293-T296 PolarHBondContact OG-N 2.98Å; S293-T296 PolarHBondContact OG-OG1 3.28Å; S293-M297 PolarHBondContact O-N 3.21Å
294E80.9Confident82Confident144 Ų14473.9 Ų73.967%0.67343%0.427SS*.Hα-helixtrans-54.4-36.4177.1-67.1-170.3161.800112.6M297 G298 V299E294-M297 HydrophobicContact CG-CE 4.36Å; E294-M297 PolarHBondContact O-N 3.01Å; E294-G298 PolarHBondContact O-N 2.61Å; E294-G298 VanDerWaalsContact O-N 3.16Å; E294-V299 HydrophobicContact CB-CB 4.19Å; E294-V299 HydrophobicContact CB-CG2 4.24Å; E294-V299 PolarHBondContact O-N 2.88Å
295E77.1Confident81.4Confident178 Ų17879.5 Ų79.583%0.83246%0.455SS*.Hα-helixtrans-64.8-44.3174.5-170.5177.7-170.800111.9S293 M297 G298S293-E295 PolarHBondContact O-N 2.96Å; E295-M297 VanDerWaalsContact C-N 3.32Å; E295-M297 PolarHBondContact O-N 2.94Å; E295-G298 PolarHBondContact O-N 2.97Å; E295-G298 VanDerWaalsContact O-N 3.13Å
296T78.8Confident80.7Confident38 Ų3878.5 Ų78.523%0.23346%0.458CS..Hα-helixtrans-67.2-34.7177.1-51.30000111.5R63 K64 P292 S293 G298R63-T296 HydrophobicContact CB-CG2 3.79Å; K64-T296 WeakPolarHBondContact CG-O 3.36Å; P292-T296 HydrophobicContact CB-CG2 3.99Å; S293-T296 WeakPolarHBondContact O-CA 3.32Å; S293-T296 WeakPolarHBondContact O-CB 3.08Å; S293-T296 PolarHBondContact O-N 3.28Å; S293-T296 PolarHBondContact OG-N 2.98Å; S293-T296 PolarHBondContact OG-OG1 3.28Å; T296-G298 PolarHBondContact O-N 2.85Å
297M76.3Confident80.4Confident49 Ų4977.9 Ų77.924%0.24145%0.449CS..Hα-helixtrans-72.5-13.7175.6-71.8-168-70.900113.2P292 S293 E294 E295 V299P292-M297 HydrophobicContact CB-CG 3.94Å; P292-M297 HydrophobicContact CG-CG 4.13Å; P292-M297 WeakPolarHBondContact O-CE 3.34Å; S293-M297 PolarHBondContact O-N 3.21Å; E294-M297 HydrophobicContact CG-CE 4.36Å; E294-M297 PolarHBondContact O-N 3.01Å; E295-M297 VanDerWaalsContact C-N 3.32Å; E295-M297 PolarHBondContact O-N 2.94Å; M297-V299 HydrophobicContact CB-CG2 4.02Å; M297-V299 HydrophobicContact CE-CG2 4.33Å
298G74.1Confident79.7Confident48 Ų4879.8 Ų79.850%0.49546%0.463SS..THydrogen-bonded Turntrans73.132-175.600000113E294 E295 T296 L300E294-G298 PolarHBondContact O-N 2.61Å; E294-G298 VanDerWaalsContact O-N 3.16Å; E295-G298 PolarHBondContact O-N 2.97Å; E295-G298 VanDerWaalsContact O-N 3.13Å; T296-G298 PolarHBondContact O-N 2.85Å; G298-L300 PolarHBondContact O-N 3.23Å
299V80.5Confident78.8Confident86 Ų8683.2 Ų83.252%0.52147%0.473SS..  trans-69115.9176.9-177.90000109E294 M297E294-V299 HydrophobicContact CB-CB 4.19Å; E294-V299 HydrophobicContact CB-CG2 4.24Å; E294-V299 PolarHBondContact O-N 2.88Å; M297-V299 HydrophobicContact CB-CG2 4.02Å; M297-V299 HydrophobicContact CE-CG2 4.33Å
300L81Confident77.1Confident59 Ų5982.4 Ų82.431%0.30948%0.484SS..  trans-79.2141.4179.3-71.2168.4000111.1S51 R52 G298S51-L300 WeakPolarHBondContact O-CD1 3.3Å; R52-L300 HydrophobicContact CG-CD1 4.47Å; R52-L300 PolarHBondContact NH2-O 3Å; R52-L300 VanDerWaalsContact NH2-O 3.11Å; G298-L300 PolarHBondContact O-N 3.23Å
301P79Confident75.2Confident84 Ų8483.1 Ų83.155%0.54549%0.492SS..  trans-63.5154.4-176.326.9-34.6000112.4R52 F303R52-P301 PolarHBondContact NH2-O 2.94Å; P301-F303 HydrophobicContact CB-CZ 4.19Å; P301-F303 HydrophobicContact CG-CZ 4.3Å
302S79.6Confident73.4Confident30 Ų3081.7 Ų81.721%0.2149%0.493CS..  trans-135.814617166.90000109.4D135 K138D135-S302 WeakPolarHBondContact OD2-CB 3.01Å; D135-S302 PolarHBondContact OD2-OG 2.82Å; K138-S302 WeakPolarHBondContact CD-OG 3.28Å; K138-S302 WeakPolarHBondContact CE-OG 3.33Å; K138-S302 PolarHBondContact NZ-O 2.96Å; K138-S302 PolarHBondContact NZ-OG 3.45Å
303F82.8Confident71.3Confident104 Ų10486 Ų8646%0.45652%0.52SS..  trans-116.1155.3-168.4-55-82000111.9L133 D135 P301L133-F303 CarbonylContact C-O 3.5Å; D135-F303 WeakPolarHBondContact CB-O 3.5Å; D135-F303 PolarHBondContact N-O 3.47Å; P301-F303 HydrophobicContact CB-CZ 4.19Å; P301-F303 HydrophobicContact CG-CZ 4.3Å
304T81.1Confident69.2Low41 Ų4192.2 Ų92.225%0.25254%0.539SS..  trans-124.38.4176.550.80000112.9L133 K138 G306 C307L133-T304 CarbonylContact O-C 3.51Å; L133-T304 VanDerWaalsContact O-C 3.3Å; L133-T304 WeakPolarHBondContact O-CA 3.2Å; K138-T304 HydrophobicContact CB-CG2 3.42Å; K138-T304 VanDerWaalsContact CB-CG2 3.42Å; K138-T304 HydrophobicContact CD-CG2 4.29Å; T304-G306 PolarHBondContact O-N 2.04Å; T304-C307 WeakPolarHBondContact O-CB 3.46Å; T304-C307 PolarHBondContact O-N 3.33Å
305D77.6Confident67Low134 Ų13492 Ų9272%0.71754%0.542SS*.THydrogen-bonded Turntrans-65.1-25.9-170.9-55.4-29.3000112.5L133L133-D305 PolarHBondContact O-N 3.08Å
306G75.4Confident65.1Low46 Ų4691.2 Ų91.247%0.47454%0.544SS..THydrogen-bonded Turntrans-945.5175.600000114.6L133 T304 S308L133-G306 WeakPolarHBondContact O-CA 3.39Å; L133-G306 PolarHBondContact O-N 3.4Å; T304-G306 PolarHBondContact O-N 2.04Å; G306-S308 PolarHBondContact O-N 2.76Å
307C81.3Confident62.8Low13 Ų1394 Ų949%0.08857%0.565CS.*  trans-78.3121.3-178.7-69.80000112.4C134 S139 T304 F309C134-C307 WeakPolarHBondContact CA-SG 3.37Å; C134-C307 HydrophobicContact CB-CB 4.06Å; C134-C307 WeakPolarHBondContact CB-SG 3.36Å; C134-C307 WeakPolarHBondContact SG-CA 3.45Å; C134-C307 WeakPolarHBondContact SG-CB 3.46Å; C134-C307 CovalentContact SG-SG 2.04Å; C134-C307 PolarHBondContact SG-SG 3.34Å; S139-C307 VanDerWaalsContact CB-SG 3.58Å; T304-C307 WeakPolarHBondContact O-CB 3.46Å; T304-C307 PolarHBondContact O-N 3.33Å; C307-F309 HydrophobicContact CB-CE2 4.15Å; C307-F309 HydrophobicContact CB-CZ 4.16Å; C307-F309 VanDerWaalsContact O-CD2 3.32Å; C307-F309 WeakPolarHBondContact O-CD2 3.4Å; C307-F309 PolarHBondContact O-N 2.99Å
308S70.7Confident60.9Low103 Ų10397 Ų9772%0.7259%0.59SS**  trans-69.798.3163.8-55.70000109.5G306 A310G306-S308 PolarHBondContact O-N 2.76Å; S308-A310 PolarHBondContact O-N 3.32Å
309F63.3Low58.6Low130 Ų130102.5 Ų102.557%0.5761%0.608SS**  trans-71.8123.6171.2-64.4-81.5000109.3C307 N311C307-F309 HydrophobicContact CB-CE2 4.15Å; C307-F309 HydrophobicContact CB-CZ 4.16Å; C307-F309 VanDerWaalsContact O-CD2 3.32Å; C307-F309 WeakPolarHBondContact O-CD2 3.4Å; C307-F309 PolarHBondContact O-N 2.99Å; F309-N311 PolarHBondContact O-N 2.9Å
310A51.1Low56.3Low103 Ų103105.6 Ų105.685%0.85162%0.621SS**THydrogen-bonded Turntrans-68.97.5-178.500000114.6S308S308-A310 PolarHBondContact O-N 3.32Å
311N44.8Very low53.7Low164 Ų164109.7 Ų109.788%0.87764%0.643SS**THydrogen-bonded Turntrans-139.549.5177.5-89-17.4000112.3F309F309-N311 PolarHBondContact O-N 2.9Å
312G43Very low51.2Low58 Ų58114.2 Ų114.260%0.59866%0.657SS**  trans-102.389.8164.700000110.4K314G312-K314 PolarHBondContact O-N 3.44Å
313T37Very low48.9Very low132 Ų132119.1 Ų119.181%0.8169%0.686SS**  trans-59108.5161.8-39.30000106.5N315T313-N315 PolarHBondContact O-N 3.08Å
314K38.7Very low46.1Very low193 Ų193119 Ų11984%0.83970%0.698SS**  trans-64.487171.6-80.6-176175.9-179.80108.3G312 N316G312-K314 PolarHBondContact O-N 3.44Å; K314-N316 PolarHBondContact O-N 3.39Å; K314-N316 VanDerWaalsContact O-N 3.17Å
315N33.6Very low43.5Very low138 Ų138123.9 Ų123.974%0.73872%0.721SS**  trans-74.7100.6159.1-94.63000107T313 S317T313-N315 PolarHBondContact O-N 3.08Å; N315-S317 VanDerWaalsContact C-N 3.29Å; N315-S317 PolarHBondContact O-N 3.45Å
316N37.2Very low41Very low163 Ų163125.3 Ų125.387%0.87273%0.727SS**  trans-60.996.1160.5-90.9-4.4000108.2K314K314-N316 PolarHBondContact O-N 3.39Å; K314-N316 VanDerWaalsContact O-N 3.17Å
317S30.8Very low38.6Very low97 Ų97127.8 Ų127.868%0.67873%0.734SS**  trans-136.6104.6154.127.30000107.9N315 N319N315-S317 VanDerWaalsContact C-N 3.29Å; N315-S317 PolarHBondContact O-N 3.45Å; S317-N319 PolarHBondContact O-N 3.09Å
318S35.7Very low36.1Very low110 Ų110133.1 Ų133.177%0.76977%0.768SS**  trans-44.1119.5159.5470000110.6
319N26.2Very low33.8Very low164 Ų164137.8 Ų137.888%0.87778%0.776SS**  trans-161.3132.7141-92.9-28.1000109.6S317S317-N319 PolarHBondContact O-N 3.09Å
320L31.5Very low32.2Very low152 Ų152139.8 Ų139.880%0.79679%0.786SS**  trans-65.3156.9170.3-75.4113.8000110.8
321D28.2Very low31.2Very low144 Ų144140.7 Ų140.777%0.7778%0.784SS**  trans75.8106160.3-52.9-32.2000118.6
322E25.3Very low30.6Very low180 Ų180141.8 Ų141.884%0.84178%0.781SS**  -176.2117.1108.7-105.9-178.1161.100111.6S324E322-S324 PolarHBondContact O-N 3.45Å
323V31.5Very low30.1Very low133 Ų133148.4 Ų148.481%0.80680%0.796SS**  trans-68109.4167.6170.30000108.4I325V323-I325 HydrophobicContact CG1-CD1 4.44Å; V323-I325 HydrophobicContact CG1-CG1 4.03Å
324S23.8Very low29.8Very low101 Ų101151.4 Ų151.471%0.70680%0.801SS**  trans-105.694.8170.5-66.70000110.1E322 L326E322-S324 PolarHBondContact O-N 3.45Å; S324-L326 PolarHBondContact O-N 3.21Å
325I26.6Very low29.4Very low143 Ų143144.1 Ų144.173%0.73378%0.78SS**  trans-67.4108.2166.1-64.6165.7000107.2V323 T327V323-I325 HydrophobicContact CG1-CD1 4.44Å; V323-I325 HydrophobicContact CG1-CG1 4.03Å; I325-T327 HydrophobicContact CG2-CG2 4.47Å; I325-T327 PolarHBondContact O-N 3Å
326L24.8Very low29.3Very low164 Ų164145.4 Ų145.486%0.85979%0.786SS**  trans-92.193.4173.4-132.2137.2000108.6S324S324-L326 PolarHBondContact O-N 3.21Å
327T25.4Very low29Very low99 Ų99141.3 Ų141.361%0.60777%0.774SS**PPolyproline II helixtrans-59134.9165.743.70000110.6I325 F329I325-T327 HydrophobicContact CG2-CG2 4.47Å; I325-T327 PolarHBondContact O-N 3Å; T327-F329 PolarHBondContact O-N 3.45Å
328P28.1Very low29.1Very low125 Ų125141.3 Ų141.381%0.81277%0.767SS**PPolyproline II helixtrans-74126.3170.4-7.723.8000110.2H330P328-H330 PolarHBondContact O-N 3.45Å
329F24.2Very low29.1Very low200 Ų200139.7 Ų139.788%0.87775%0.752SS**PPolyproline II helixtrans-64.5118.8172.8-109.5-100.6000110.8T327T327-F329 PolarHBondContact O-N 3.45Å
330H28.4Very low29.2Very low172 Ų172134.4 Ų134.480%0.79673%0.732SS**PPolyproline II helixtrans-76.1134163-110.9-65.2000110.2P328P328-H330 PolarHBondContact O-N 3.45Å
331P30.6Very low29.2Very low123 Ų123133 Ų13380%0.79972%0.72SS**  trans-94.5111150.18.410.4000108.7H333P331-H333 PolarHBondContact O-N 3.47Å
332K31.6Very low29.5Very low187 Ų187131.7 Ų131.781%0.81371%0.709SS**  trans-71.5115.5163.4-84.2178.3174.8176.10108.8
333H32.4Very low29.7Very low197 Ų197129.5 Ų129.591%0.91270%0.7SS**  trans-152.687.6144.8-90.9-58.9000108.5P331P331-H333 PolarHBondContact O-N 3.47Å
334Q32.3Very low29.8Very low195 Ų195130.1 Ų130.191%0.91170%0.698SS**  trans-94110.5167.1-98.8168.3-32.900107.9
335G28.6Very low30.3Very low39 Ų39128.2 Ų128.240%0.40268%0.679SS.*  trans-84135166.400000110A337 D338G335-A337 PolarHBondContact O-N 3.04Å; G335-D338 PolarHBondContact O-N 3.36Å
336L31.8Very low30.7Very low166 Ų166127.1 Ų127.187%0.86967%0.667SS**THydrogen-bonded Turntrans-57.4-10.8178.1-140.688.1000114
337A31.5Very low30.9Very low76 Ų76131.8 Ų131.863%0.62868%0.681SS**THydrogen-bonded Turntrans-83.2-26.7176.200000113.2G335 T339 A340 F341G335-A337 PolarHBondContact O-N 3.04Å; A337-T339 VanDerWaalsContact C-N 3.3Å; A337-T339 PolarHBondContact O-N 3.4Å; A337-A340 PolarHBondContact O-N 3.44Å; A337-F341 PolarHBondContact O-N 3.27Å
338D33.5Very low31.1Very low98 Ų98133.4 Ų133.452%0.52468%0.684SS.*Hα-helixtrans-71.3-28.7177.7-72.4-30.9000111.6G335 A340 F341 Q342G335-D338 PolarHBondContact O-N 3.36Å; D338-A340 VanDerWaalsContact C-N 3.32Å; D338-A340 PolarHBondContact O-N 2.95Å; D338-F341 PolarHBondContact O-N 3.27Å; D338-Q342 WeakPolarHBondContact O-CB 3.34Å; D338-Q342 PolarHBondContact O-N 2.98Å
339T35.3Very low31.3Very low75 Ų75133.8 Ų133.846%0.4668%0.677SS.*Hα-helixtrans-71.2-29.1177.4-17.50000112.2A337 M343A337-T339 VanDerWaalsContact C-N 3.3Å; A337-T339 PolarHBondContact O-N 3.4Å; T339-M343 PolarHBondContact O-N 3.31Å
340A28.5Very low31.7Very low54 Ų54130.2 Ų130.245%0.44667%0.666SS.*Hα-helixtrans-76.1-36.6173.600000111.6A337 D338 M343 L344A337-A340 PolarHBondContact O-N 3.44Å; D338-A340 VanDerWaalsContact C-N 3.32Å; D338-A340 PolarHBondContact O-N 2.95Å; A340-M343 PolarHBondContact O-N 2.95Å; A340-L344 PolarHBondContact O-N 2.8Å
341F31.9Very low31.9Very low123 Ų123127.7 Ų127.754%0.53966%0.659SS.*Hα-helixtrans-71-35.5174.8-154-103.6000112.1W282 A337 D338 M343 I345W282-F341 HydrophobicContact CH2-CZ 4.32Å; W282-F341 HydrophobicContact CZ2-CZ 4.28Å; A337-F341 PolarHBondContact O-N 3.27Å; D338-F341 PolarHBondContact O-N 3.27Å; F341-M343 VanDerWaalsContact C-N 3.33Å; F341-M343 PolarHBondContact O-N 3.17Å; F341-I345 HydrophobicContact CD1-CD1 3.84Å; F341-I345 HydrophobicContact CE1-CD1 3.68Å; F341-I345 HydrophobicContact CZ-CD1 4.48Å
342Q33.7Very low32Very low116 Ų116128 Ų12854%0.54265%0.65SS.*Hα-helixtrans-70.8-19.1171.5-99.8169.4-19.600114.3D338 Y346D338-Q342 WeakPolarHBondContact O-CB 3.34Å; D338-Q342 PolarHBondContact O-N 2.98Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.32Å
343M30.3Very low32Very low133 Ų133124.1 Ų124.166%0.65564%0.639SS**Hα-helixtrans-87.4-28173.8-93.6-167.2-86.800113.1T339 A340 F341T339-M343 PolarHBondContact O-N 3.31Å; A340-M343 PolarHBondContact O-N 2.95Å; F341-M343 VanDerWaalsContact C-N 3.33Å; F341-M343 PolarHBondContact O-N 3.17Å
344L31.6Very low32Very low146 Ų146118.9 Ų118.976%0.76462%0.62SS**Hα-helixtrans-81.8-15.5-178.7-91.5150.6000114.3A340A340-L344 PolarHBondContact O-N 2.8Å
345I34.9Very low31.9Very low61 Ų61113 Ų11331%0.31360%0.597SS.*THydrogen-bonded Turntrans-86.3-11.1175.2-68175.8000112.4W282 F341W282-I345 HydrophobicContact CZ2-CD1 4.08Å; W282-I345 HydrophobicContact CZ2-CG1 4.47Å; F341-I345 HydrophobicContact CD1-CD1 3.84Å; F341-I345 HydrophobicContact CE1-CD1 3.68Å; F341-I345 HydrophobicContact CZ-CD1 4.48Å
346Y35.4Very low32.2Very low120 Ų120119.2 Ų119.247%0.47161%0.613SS.*  trans-115.542.6-174.4-68.7-95.9000113.3P62 Q342P62-Y346 HydrophobicContact CG-CE1 4.26Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.32Å
347F28.3Very low32.3Very low262 Ų262114.9 Ų114.9100%1.14959%0.59SS**  trans-128.10158.6-86.9-74.5000111.1

Retrieved 347 of 347 residues in 190.9 ms (Link to these results)