A0A087X433_POEFO Loading...

Cholesterol 25-hydroxylase

AlphaFold DB , UniProt , Accession A0A087X433, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M82.1Confident96.3Very high108 Ų10866.9 Ų66.953%0.53236%0.361SS..  0149.60-63.7171.468.800109.3L3 Q4 A101 P103M1-L3 PolarHBondContact O-N 2.93Å; M1-Q4 HydrophobicContact CB-CB 4.36Å; M1-Q4 VanDerWaalsContact O-CB 3.23Å; M1-Q4 WeakPolarHBondContact O-CB 3.47Å; M1-Q4 PolarHBondContact O-N 2.92Å; M1-A101 WeakPolarHBondContact CE-O 3.41Å; M1-P103 VanDerWaalsContact CE-CA 3.49Å; M1-P103 HydrophobicContact CE-CB 4.01Å; M1-P103 HydrophobicContact CE-CG 3.6Å
2L96.1Very high96.4Very high132 Ų13266.8 Ų66.869%0.69139%0.387SS*.THydrogen-bonded Turntrans-54.4-38.5-175.2-178.770.1000113.2Q4 P5 L104L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-P5 WeakPolarHBondContact O-CD 3.35Å; L2-L104 HydrophobicContact CD2-CB 4.32Å; L2-L104 HydrophobicContact CD2-CD1 4.46Å; L2-L104 HydrophobicContact CD2-CD2 3.69Å; L2-L104 HydrophobicContact CD2-CG 4.36Å
3L97.7Very high96.4Very high23 Ų2368.5 Ų68.512%0.1239%0.389CS..THydrogen-bonded Turntrans-85.9-5.5-177.7-60.7176.3000113.6M1 V6 W7 A101 P102 L104 M107 L181M1-L3 PolarHBondContact O-N 2.93Å; L3-V6 PolarHBondContact O-N 3.46Å; L3-W7 PolarHBondContact O-N 3.4Å; L3-A101 HydrophobicContact CB-CB 4.01Å; L3-P102 HydrophobicContact CD1-CG 4.31Å; L3-P102 WeakPolarHBondContact CD1-O 3.44Å; L3-L104 HydrophobicContact CD1-CB 4.38Å; L3-L104 HydrophobicContact CD1-CD1 4.26Å; L3-L104 HydrophobicContact CD2-CD1 4.16Å; L3-L104 HydrophobicContact CG-CD1 4.43Å; L3-M107 HydrophobicContact CD1-CB 4.16Å; L3-M107 HydrophobicContact CD1-CE 3.46Å; L3-M107 VanDerWaalsContact CD1-CE 3.46Å; L3-M107 HydrophobicContact CD1-CG 4.48Å; L3-M107 HydrophobicContact CD1-SD 3.49Å; L3-M107 WeakPolarHBondContact CD1-SD 3.22Å; L3-M107 HydrophobicContact CD2-CE 3.94Å; L3-M107 HydrophobicContact CG-CE 4.36Å; L3-L181 HydrophobicContact CB-CD2 4.26Å
4Q98.1Very high96.4Very high34 Ų3467 Ų6716%0.15939%0.385CS..Hα-helixtrans-60.1-42.6-175.7-167.463.234.900113.4M1 L2 V6 W7 S8 Q99 A101M1-Q4 HydrophobicContact CB-CB 4.36Å; M1-Q4 VanDerWaalsContact O-CB 3.23Å; M1-Q4 WeakPolarHBondContact O-CB 3.47Å; M1-Q4 PolarHBondContact O-N 2.92Å; L2-Q4 VanDerWaalsContact C-N 3.34Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; Q4-V6 PolarHBondContact O-N 3.04Å; Q4-W7 PolarHBondContact O-N 2.9Å; Q4-S8 PolarHBondContact NE2-OG 3.13Å; Q4-S8 VanDerWaalsContact NE2-OG 3.16Å; Q4-S8 WeakPolarHBondContact O-CB 3.27Å; Q4-S8 PolarHBondContact O-N 3.32Å; Q4-S8 PolarHBondContact O-OG 3.31Å; Q4-Q99 PolarHBondContact NE2-O 2.84Å; Q4-A101 HydrophobicContact CB-CB 4.48Å; Q4-A101 VanDerWaalsContact OE1-CB 3.31Å
5P98.3Very high96.3Very high93 Ų9369.1 Ų69.160%0.60441%0.405SS*.Hα-helixtrans-59.9-41.7179.7-25.236000112.9L2 F9L2-P5 WeakPolarHBondContact O-CD 3.35Å; P5-F9 PolarHBondContact O-N 3.19Å; P5-F9 VanDerWaalsContact O-N 3.09Å
6V97.8Very high96.3Very high82 Ų8270.7 Ų70.750%0.49741%0.411SS..Hα-helixtrans-65-45176.2177.30000110.3L3 Q4 F9 L10 L181L3-V6 PolarHBondContact O-N 3.46Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; Q4-V6 PolarHBondContact O-N 3.04Å; V6-F9 PolarHBondContact O-N 2.81Å; V6-L10 HydrophobicContact CG1-CD1 4.37Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.31Å; V6-L10 VanDerWaalsContact O-N 3.14Å; V6-L181 HydrophobicContact CG1-CD1 4.48Å
7W98.2Very high96.2Very high0 Ų067.3 Ų67.30%039%0.391CS..Hα-helixtrans-66-44.2179.6-174.4-128.7000112.9L3 Q4 F9 L10 L11 L17 L97 P98 A101 H179 P180 L181L3-W7 PolarHBondContact O-N 3.4Å; Q4-W7 PolarHBondContact O-N 2.9Å; W7-F9 VanDerWaalsContact C-N 3.28Å; W7-F9 PolarHBondContact O-N 3.21Å; W7-L10 HydrophobicContact CE3-CB 4.06Å; W7-L10 HydrophobicContact CE3-CD1 4.03Å; W7-L10 HydrophobicContact CZ3-CB 4.25Å; W7-L10 HydrophobicContact CZ3-CD1 4.32Å; W7-L10 CarbonylContact O-C 3.58Å; W7-L10 WeakPolarHBondContact O-CB 3.2Å; W7-L10 PolarHBondContact O-N 3.1Å; W7-L10 VanDerWaalsContact O-N 3.07Å; W7-L11 HydrophobicContact CD2-CG 4.16Å; W7-L11 HydrophobicContact CG-CD1 4.42Å; W7-L11 HydrophobicContact CG-CG 4.44Å; W7-L11 HydrophobicContact CH2-CD2 4.23Å; W7-L11 HydrophobicContact CZ2-CD2 3.59Å; W7-L11 HydrophobicContact CZ2-CG 4.06Å; W7-L11 WeakPolarHBondContact O-CG 3.47Å; W7-L11 PolarHBondContact O-N 2.95Å; W7-L17 HydrophobicContact CH2-CD1 4.38Å; W7-L17 HydrophobicContact CZ3-CD1 4.37Å; W7-L97 HydrophobicContact CH2-CD2 3.96Å; W7-L97 HydrophobicContact CZ2-CB 4.33Å; W7-L97 HydrophobicContact CZ2-CD2 4.48Å; W7-P98 WeakPolarHBondContact CZ2-O 3.17Å; W7-P98 PolarHBondContact NE1-O 3.5Å; W7-A101 HydrophobicContact CB-CB 3.67Å; W7-A101 HydrophobicContact CG-CB 3.99Å; W7-H179 AromaticContact CD2-CE1 3.64Å; W7-H179 AromaticContact CE2-CE1 3.36Å; W7-H179 AromaticContact CE2-NE2 3.64Å; W7-H179 AromaticContact CE3-CE1 3.92Å; W7-H179 AromaticContact CH2-CE1 3.77Å; W7-H179 AromaticContact CZ2-CE1 3.45Å; W7-H179 VanDerWaalsContact CZ2-CE1 3.45Å; W7-H179 WeakPolarHBondContact CZ2-CE1 3.47Å; W7-H179 AromaticContact CZ2-NE2 3.78Å; W7-H179 AromaticContact CZ3-CE1 4Å; W7-H179 AromaticContact NE1-CE1 3.8Å; W7-H179 AromaticContact NE1-NE2 3.66Å; W7-P180 HydrophobicContact CH2-CB 3.97Å; W7-P180 HydrophobicContact CH2-CG 4.36Å; W7-P180 HydrophobicContact CZ3-CB 4.47Å; W7-L181 HydrophobicContact CB-CD2 4.23Å; W7-L181 HydrophobicContact CE3-CB 3.93Å; W7-L181 HydrophobicContact CE3-CD2 4.46Å; W7-L181 HydrophobicContact CZ3-CB 4.2Å
8S98.2Very high96.1Very high60 Ų6068 Ų6842%0.4239%0.39SS..Hα-helixtrans-60.3-37.1175.6-71.20000112.3Q4 L11 G12Q4-S8 PolarHBondContact NE2-OG 3.13Å; Q4-S8 VanDerWaalsContact NE2-OG 3.16Å; Q4-S8 WeakPolarHBondContact O-CB 3.27Å; Q4-S8 PolarHBondContact O-N 3.32Å; Q4-S8 PolarHBondContact O-OG 3.31Å; S8-L11 PolarHBondContact O-N 2.95Å; S8-G12 PolarHBondContact O-N 3.36Å
9F98.1Very high96.1Very high140 Ų14065.9 Ų65.961%0.61438%0.38SS*.Hα-helixtrans-62-44.4172.1173.1-95.6000112P5 V6 W7 G12 H13P5-F9 PolarHBondContact O-N 3.19Å; P5-F9 VanDerWaalsContact O-N 3.09Å; V6-F9 PolarHBondContact O-N 2.81Å; W7-F9 VanDerWaalsContact C-N 3.28Å; W7-F9 PolarHBondContact O-N 3.21Å; F9-G12 PolarHBondContact O-N 3.14Å; F9-H13 AromaticContact CE2-CE1 3.62Å; F9-H13 AromaticContact CZ-CE1 3.59Å; F9-H13 PolarHBondContact O-ND1 3.49Å
10L97.6Very high96Very high35 Ų3563.9 Ų63.918%0.18337%0.369CS..Hα-helixtrans-66.9-39.3177.2-69171.8000112.2V6 W7 G12 H13 S14 L17 L181 M184V6-L10 HydrophobicContact CG1-CD1 4.37Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.31Å; V6-L10 VanDerWaalsContact O-N 3.14Å; W7-L10 HydrophobicContact CE3-CB 4.06Å; W7-L10 HydrophobicContact CE3-CD1 4.03Å; W7-L10 HydrophobicContact CZ3-CB 4.25Å; W7-L10 HydrophobicContact CZ3-CD1 4.32Å; W7-L10 CarbonylContact O-C 3.58Å; W7-L10 WeakPolarHBondContact O-CB 3.2Å; W7-L10 PolarHBondContact O-N 3.1Å; W7-L10 VanDerWaalsContact O-N 3.07Å; L10-G12 VanDerWaalsContact C-N 3.25Å; L10-G12 PolarHBondContact O-N 2.89Å; L10-H13 CarbonylContact O-C 3.59Å; L10-H13 VanDerWaalsContact O-C 3.29Å; L10-H13 WeakPolarHBondContact O-CA 3.5Å; L10-H13 PolarHBondContact O-N 2.78Å; L10-S14 PolarHBondContact O-N 2.86Å; L10-L17 HydrophobicContact CB-CD1 4.25Å; L10-L181 HydrophobicContact CD1-CD1 3.72Å; L10-M184 HydrophobicContact CD1-CE 4.42Å
11L97.6Very high95.9Very high29 Ų2965.5 Ų65.515%0.15237%0.372CS..Hα-helixtrans-62.1-32.6173.1-73178.4000112.3W7 S8 H13 S14 L97W7-L11 HydrophobicContact CD2-CG 4.16Å; W7-L11 HydrophobicContact CG-CD1 4.42Å; W7-L11 HydrophobicContact CG-CG 4.44Å; W7-L11 HydrophobicContact CH2-CD2 4.23Å; W7-L11 HydrophobicContact CZ2-CD2 3.59Å; W7-L11 HydrophobicContact CZ2-CG 4.06Å; W7-L11 WeakPolarHBondContact O-CG 3.47Å; W7-L11 PolarHBondContact O-N 2.95Å; S8-L11 PolarHBondContact O-N 2.95Å; L11-H13 PolarHBondContact O-N 3.23Å; L11-H13 VanDerWaalsContact O-N 3.14Å; L11-S14 VanDerWaalsContact O-CB 3.27Å; L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-S14 PolarHBondContact O-OG 2.63Å; L11-L97 HydrophobicContact CD2-CB 3.87Å; L11-L97 HydrophobicContact CD2-CD1 4.44Å
12G97.3Very high96.6Very high65 Ų6562 Ų6267%0.6735%0.354SS*.THydrogen-bonded Turntrans-59.9-18170.100000113.7S8 F9 L10S8-G12 PolarHBondContact O-N 3.36Å; F9-G12 PolarHBondContact O-N 3.14Å; L10-G12 VanDerWaalsContact C-N 3.25Å; L10-G12 PolarHBondContact O-N 2.89Å
13H96.8Very high96.6Very high89 Ų8958.2 Ų58.241%0.41234%0.337SS..THydrogen-bonded Turntrans-114.831.4175.6-56.983.9000111.6F9 L10 L11 S15 L16 L17F9-H13 AromaticContact CE2-CE1 3.62Å; F9-H13 AromaticContact CZ-CE1 3.59Å; F9-H13 PolarHBondContact O-ND1 3.49Å; L10-H13 CarbonylContact O-C 3.59Å; L10-H13 VanDerWaalsContact O-C 3.29Å; L10-H13 WeakPolarHBondContact O-CA 3.5Å; L10-H13 PolarHBondContact O-N 2.78Å; L11-H13 PolarHBondContact O-N 3.23Å; L11-H13 VanDerWaalsContact O-N 3.14Å; H13-S15 PolarHBondContact O-N 3.04Å; H13-S15 VanDerWaalsContact O-N 3.13Å; H13-L16 VanDerWaalsContact O-CB 3.3Å; H13-L16 WeakPolarHBondContact O-CB 3.36Å; H13-L16 PolarHBondContact O-N 3.44Å; H13-L17 PolarHBondContact O-N 3.05Å
14S95.3Very high96.5Very high48 Ų4857.5 Ų57.534%0.33633%0.333SS..Hα-helixtrans-56.5-30.3-176.958.40000114L10 L11 L16 L17 H18L10-S14 PolarHBondContact O-N 2.86Å; L11-S14 VanDerWaalsContact O-CB 3.27Å; L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-S14 PolarHBondContact O-OG 2.63Å; S14-L16 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 3.49Å; S14-L17 VanDerWaalsContact O-N 3.14Å; S14-H18 WeakPolarHBondContact O-CB 3.3Å; S14-H18 PolarHBondContact O-CD2 2.76Å; S14-H18 PolarHBondContact O-N 3.04Å
15S95.9Very high96.4Very high99 Ų9961.7 Ų61.769%0.69235%0.351SS*.Hα-helixtrans-59.1-36.2174.158.60000112.6H13 S19H13-S15 PolarHBondContact O-N 3.04Å; H13-S15 VanDerWaalsContact O-N 3.13Å; S15-S19 PolarHBondContact O-N 2.73Å
16L95.4Very high96.4Very high94 Ų9459 Ų5949%0.49233%0.33SS..Hα-helixtrans-69.1-48.8173.1-177.766.5000110.1H13 S14 H18 S19 F22H13-L16 VanDerWaalsContact O-CB 3.3Å; H13-L16 WeakPolarHBondContact O-CB 3.36Å; H13-L16 PolarHBondContact O-N 3.44Å; S14-L16 PolarHBondContact O-N 2.86Å; L16-H18 VanDerWaalsContact C-N 3.26Å; L16-H18 PolarHBondContact O-N 3.21Å; L16-S19 WeakPolarHBondContact O-CB 3.14Å; L16-S19 PolarHBondContact O-N 2.96Å; L16-F22 HydrophobicContact CD1-CD2 4.16Å; L16-F22 HydrophobicContact CD2-CD2 4.16Å; L16-F22 HydrophobicContact CD2-CE2 4.23Å; L16-F22 HydrophobicContact CG-CD2 3.7Å; L16-F22 HydrophobicContact CG-CE2 4.21Å; L16-F22 WeakPolarHBondContact O-CB 3.21Å
17L94.8Very high96.4Very high13 Ų1356.1 Ų56.17%0.06831%0.314CS..Hα-helixtrans-62.2-32.3-179.3-61.1179000113.2W7 L10 H13 S14 S19 F22 L97 M184W7-L17 HydrophobicContact CH2-CD1 4.38Å; W7-L17 HydrophobicContact CZ3-CD1 4.37Å; L10-L17 HydrophobicContact CB-CD1 4.25Å; H13-L17 PolarHBondContact O-N 3.05Å; S14-L17 PolarHBondContact O-N 3.49Å; S14-L17 VanDerWaalsContact O-N 3.14Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-F22 HydrophobicContact CD2-CD1 4.35Å; L17-F22 HydrophobicContact CD2-CE1 3.72Å; L17-F22 HydrophobicContact CD2-CE2 3.98Å; L17-F22 HydrophobicContact CD2-CZ 3.5Å; L17-L97 HydrophobicContact CB-CD1 3.92Å; L17-L97 HydrophobicContact CB-CD2 4.23Å; L17-L97 HydrophobicContact CD1-CD1 4.04Å; L17-L97 HydrophobicContact CD1-CD2 4.12Å; L17-M184 HydrophobicContact CD2-SD 4.23Å
18H95.4Very high96.4Very high80 Ų8057.1 Ų57.137%0.3732%0.319SS..THydrogen-bonded Turntrans-80.6-5.6174.7-76.4-64.1000113.7S14 L16 W90 V95 L97S14-H18 WeakPolarHBondContact O-CB 3.3Å; S14-H18 PolarHBondContact O-CD2 2.76Å; S14-H18 PolarHBondContact O-N 3.04Å; L16-H18 VanDerWaalsContact C-N 3.26Å; L16-H18 PolarHBondContact O-N 3.21Å; H18-W90 PolarHBondContact O-NE1 2.89Å; H18-V95 PolarHBondContact CE1-O 3Å; H18-L97 VanDerWaalsContact NE2-CD1 3.32Å; H18-L97 WeakPolarHBondContact NE2-CD1 3.25Å
19S95.6Very high96.4Very high29 Ų2957.5 Ų57.520%0.20332%0.319CS..  trans-71.3134.2-179.3-179.90000111.1S15 L16 L17 F21 F22S15-S19 PolarHBondContact O-N 2.73Å; L16-S19 WeakPolarHBondContact O-CB 3.14Å; L16-S19 PolarHBondContact O-N 2.96Å; L17-S19 VanDerWaalsContact C-N 3.29Å; S19-F21 PolarHBondContact O-N 2.9Å; S19-F21 VanDerWaalsContact O-N 3.13Å; S19-F21 WeakPolarHBondContact OG-CD2 3.3Å; S19-F21 PolarHBondContact OG-N 3.46Å; S19-F22 WeakPolarHBondContact O-CB 3.35Å; S19-F22 PolarHBondContact O-N 2.74Å; S19-F22 VanDerWaalsContact O-N 3.07Å
20P93.6Very high96.4Very high25 Ų2551.8 Ų51.816%0.16230%0.295CS..THydrogen-bonded Turntrans-64.2-17.9173.227.7-34.8000112.4V87 W90P20-V87 HydrophobicContact CB-CG2 4.25Å; P20-W90 HydrophobicContact CB-CB 4.14Å; P20-W90 HydrophobicContact CB-CD2 3.68Å; P20-W90 HydrophobicContact CB-CE3 3.99Å; P20-W90 HydrophobicContact CB-CG 3.74Å; P20-W90 HydrophobicContact CG-CD2 4.37Å
21F95Very high96.4Very high97 Ų9750.1 Ų50.143%0.42529%0.287SS..THydrogen-bonded Turntrans-84.8-17.9177.6-56.3-87000113.2S19 V24 F25 F83S19-F21 PolarHBondContact O-N 2.9Å; S19-F21 VanDerWaalsContact O-N 3.13Å; S19-F21 WeakPolarHBondContact OG-CD2 3.3Å; S19-F21 PolarHBondContact OG-N 3.46Å; F21-V24 VanDerWaalsContact O-CG1 3.31Å; F21-V24 WeakPolarHBondContact O-CG1 3.32Å; F21-F25 HydrophobicContact CB-CD2 3.67Å; F21-F25 HydrophobicContact CB-CE2 3.68Å; F21-F25 HydrophobicContact CD1-CE2 4.22Å; F21-F25 HydrophobicContact CG-CE2 4.29Å; F21-F25 WeakPolarHBondContact O-CD2 3.3Å; F21-F25 PolarHBondContact O-N 3.1Å; F21-F25 VanDerWaalsContact O-N 3.15Å; F21-F83 HydrophobicContact CD1-CD2 4.3Å; F21-F83 AromaticContact CD1-CE2 3.23Å; F21-F83 HydrophobicContact CD1-CE2 3.23Å; F21-F83 AromaticContact CD1-CZ 3.51Å; F21-F83 HydrophobicContact CD1-CZ 3.51Å; F21-F83 HydrophobicContact CE1-CE1 4.36Å; F21-F83 AromaticContact CE1-CE2 3.54Å; F21-F83 HydrophobicContact CE1-CE2 3.54Å; F21-F83 AromaticContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CG-CE2 4.13Å; F21-F83 HydrophobicContact CZ-CZ 4.22Å
22F95.8Very high96.5Very high35 Ų3551.7 Ų51.715%0.15430%0.295CS..Hα-helixtrans-60.6-47.7-172.3170.2-102000113.5L16 L17 S19 V24 F25 F26 M184L16-F22 HydrophobicContact CD1-CD2 4.16Å; L16-F22 HydrophobicContact CD2-CD2 4.16Å; L16-F22 HydrophobicContact CD2-CE2 4.23Å; L16-F22 HydrophobicContact CG-CD2 3.7Å; L16-F22 HydrophobicContact CG-CE2 4.21Å; L16-F22 WeakPolarHBondContact O-CB 3.21Å; L17-F22 HydrophobicContact CD2-CD1 4.35Å; L17-F22 HydrophobicContact CD2-CE1 3.72Å; L17-F22 HydrophobicContact CD2-CE2 3.98Å; L17-F22 HydrophobicContact CD2-CZ 3.5Å; S19-F22 WeakPolarHBondContact O-CB 3.35Å; S19-F22 PolarHBondContact O-N 2.74Å; S19-F22 VanDerWaalsContact O-N 3.07Å; F22-V24 PolarHBondContact O-N 2.86Å; F22-F25 PolarHBondContact O-N 3.46Å; F22-F26 HydrophobicContact CD2-CB 4.4Å; F22-F26 HydrophobicContact CE1-CB 4.42Å; F22-F26 HydrophobicContact CE2-CB 4.11Å; F22-F26 HydrophobicContact CE2-CD2 4.34Å; F22-F26 HydrophobicContact CE2-CG 4.48Å; F22-F26 HydrophobicContact CZ-CB 4.11Å; F22-F26 HydrophobicContact CZ-CD2 4.05Å; F22-F26 HydrophobicContact CZ-CG 4.13Å; F22-F26 WeakPolarHBondContact O-CB 3.47Å; F22-F26 PolarHBondContact O-N 3.02Å; F22-M184 HydrophobicContact CE1-SD 4.43Å; F22-M184 HydrophobicContact CZ-CE 3.84Å; F22-M184 HydrophobicContact CZ-SD 4.24Å
23P95.2Very high96.5Very high52 Ų5253 Ų5334%0.33829%0.285SS..Hα-helixtrans-58.6-44.8-176.7-26.335.9000113.3F26 S27 T86P23-F26 PolarHBondContact O-N 3.03Å; P23-S27 PolarHBondContact O-N 3.15Å; P23-S27 PolarHBondContact O-OG 3.06Å; P23-T86 HydrophobicContact CB-CG2 4.04Å
24V96.1Very high96.6Very high8 Ų850.7 Ų50.75%0.04827%0.274CS..Hα-helixtrans-70.7-40.2-178.770.40000112.2F21 F22 S27 L28 H78 I82 F83F21-V24 VanDerWaalsContact O-CG1 3.31Å; F21-V24 WeakPolarHBondContact O-CG1 3.32Å; F22-V24 PolarHBondContact O-N 2.86Å; V24-S27 PolarHBondContact O-OG 3.38Å; V24-L28 VanDerWaalsContact O-CB 3.23Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 PolarHBondContact O-N 3.03Å; V24-L28 VanDerWaalsContact O-N 3.09Å; V24-H78 HydrophobicContact CG2-CB 4.3Å; V24-I82 HydrophobicContact CG2-CB 4.49Å; V24-I82 HydrophobicContact CG2-CG2 4.11Å; V24-F83 HydrophobicContact CG1-CB 4.3Å; V24-F83 HydrophobicContact CG1-CD2 3.64Å; V24-F83 HydrophobicContact CG1-CE2 4.48Å; V24-F83 HydrophobicContact CG1-CG 4.39Å; V24-F83 HydrophobicContact CG2-CB 4.21Å
25F97.1Very high96.8Very high122 Ų12248.4 Ų48.454%0.53526%0.258SS..Hα-helixtrans-70-38.1177.1-78-55.2000111.1F21 F22 T29F21-F25 HydrophobicContact CB-CD2 3.67Å; F21-F25 HydrophobicContact CB-CE2 3.68Å; F21-F25 HydrophobicContact CD1-CE2 4.22Å; F21-F25 HydrophobicContact CG-CE2 4.29Å; F21-F25 WeakPolarHBondContact O-CD2 3.3Å; F21-F25 PolarHBondContact O-N 3.1Å; F21-F25 VanDerWaalsContact O-N 3.15Å; F22-F25 PolarHBondContact O-N 3.46Å; F25-T29 WeakPolarHBondContact O-CB 3.39Å; F25-T29 PolarHBondContact O-N 3.15Å; F25-T29 PolarHBondContact O-OG1 2.84Å
26F97.7Very high96.8Very high37 Ų3748.9 Ų48.916%0.16225%0.253CS..Hα-helixtrans-59.9-55176.1171.8-103.7000110.9F22 P23 T29 V30 M184 F187 I188F22-F26 HydrophobicContact CD2-CB 4.4Å; F22-F26 HydrophobicContact CE1-CB 4.42Å; F22-F26 HydrophobicContact CE2-CB 4.11Å; F22-F26 HydrophobicContact CE2-CD2 4.34Å; F22-F26 HydrophobicContact CE2-CG 4.48Å; F22-F26 HydrophobicContact CZ-CB 4.11Å; F22-F26 HydrophobicContact CZ-CD2 4.05Å; F22-F26 HydrophobicContact CZ-CG 4.13Å; F22-F26 WeakPolarHBondContact O-CB 3.47Å; F22-F26 PolarHBondContact O-N 3.02Å; P23-F26 PolarHBondContact O-N 3.03Å; F26-T29 PolarHBondContact O-N 3.5Å; F26-V30 HydrophobicContact CD2-CG2 4.21Å; F26-V30 HydrophobicContact CE2-CG2 4Å; F26-V30 HydrophobicContact CZ-CG2 4.28Å; F26-V30 WeakPolarHBondContact O-CB 3.19Å; F26-V30 WeakPolarHBondContact O-CG2 3.21Å; F26-V30 PolarHBondContact O-N 3.37Å; F26-M184 HydrophobicContact CD2-CE 4.44Å; F26-M184 HydrophobicContact CE1-CB 4.46Å; F26-M184 HydrophobicContact CE2-CE 3.87Å; F26-M184 HydrophobicContact CZ-CB 3.97Å; F26-M184 HydrophobicContact CZ-CE 4.22Å; F26-M184 HydrophobicContact CZ-CG 4.26Å; F26-F187 HydrophobicContact CE1-CB 4.02Å; F26-I188 HydrophobicContact CE1-CG1 4.48Å; F26-I188 HydrophobicContact CE2-CD1 4.15Å; F26-I188 HydrophobicContact CE2-CG1 4.26Å; F26-I188 HydrophobicContact CZ-CD1 3.8Å; F26-I188 HydrophobicContact CZ-CG1 3.64Å
27S97.4Very high96.9Very high21 Ų2147.4 Ų47.415%0.14725%0.248CC..Hα-helixtrans-62.7-46.9-178.564.90000112P23 V24 T29 V30 Y31P23-S27 PolarHBondContact O-N 3.15Å; P23-S27 PolarHBondContact O-OG 3.06Å; V24-S27 PolarHBondContact O-OG 3.38Å; S27-T29 PolarHBondContact O-N 3.09Å; S27-V30 PolarHBondContact O-N 3.49Å; S27-Y31 WeakPolarHBondContact O-CB 3.17Å; S27-Y31 PolarHBondContact O-N 3.41Å
28L97.9Very high96.9Very high22 Ų2246.8 Ų46.812%0.11525%0.245CC..Hα-helixtrans-63.7-41.7179.6-178.661.2000112V24 Y31 L32 T74 L75V24-L28 VanDerWaalsContact O-CB 3.23Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 PolarHBondContact O-N 3.03Å; V24-L28 VanDerWaalsContact O-N 3.09Å; L28-Y31 HydrophobicContact CD1-CD1 4.4Å; L28-Y31 PolarHBondContact O-N 2.58Å; L28-L32 HydrophobicContact CD1-CD1 4.08Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.46Å; L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.77Å; L28-T74 HydrophobicContact CD1-CG2 3.89Å; L28-L75 HydrophobicContact CD2-CD2 4.01Å
29T98.3Very high96.9Very high68 Ų6845.2 Ų45.242%0.41724%0.239SC..Hα-helixtrans-65.4-44.9178.2-58.90000111F25 F26 S27 L32 I33F25-T29 WeakPolarHBondContact O-CB 3.39Å; F25-T29 PolarHBondContact O-N 3.15Å; F25-T29 PolarHBondContact O-OG1 2.84Å; F26-T29 PolarHBondContact O-N 3.5Å; S27-T29 PolarHBondContact O-N 3.09Å; T29-L32 PolarHBondContact O-N 2.85Å; T29-I33 HydrophobicContact CG2-CD1 3.64Å; T29-I33 HydrophobicContact CG2-CG1 4.28Å; T29-I33 WeakPolarHBondContact O-CB 3.31Å; T29-I33 VanDerWaalsContact O-CG1 3.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.24Å; T29-I33 PolarHBondContact O-N 2.94Å
30V98.6Very high96.8Very high19 Ų1948.4 Ų48.412%0.11525%0.254CS..Hα-helixtrans-60.4-47.5177.4170.80000110.6F26 S27 I33 F34 I188 I191F26-V30 HydrophobicContact CD2-CG2 4.21Å; F26-V30 HydrophobicContact CE2-CG2 4Å; F26-V30 HydrophobicContact CZ-CG2 4.28Å; F26-V30 WeakPolarHBondContact O-CB 3.19Å; F26-V30 WeakPolarHBondContact O-CG2 3.21Å; F26-V30 PolarHBondContact O-N 3.37Å; S27-V30 PolarHBondContact O-N 3.49Å; V30-I33 PolarHBondContact O-N 3.17Å; V30-F34 HydrophobicContact CG1-CD2 3.75Å; V30-F34 HydrophobicContact CG1-CE2 3.39Å; V30-F34 HydrophobicContact CG1-CZ 3.99Å; V30-F34 WeakPolarHBondContact O-CG 3.38Å; V30-F34 PolarHBondContact O-N 2.97Å; V30-I188 HydrophobicContact CG1-CG1 4.31Å; V30-I188 HydrophobicContact CG2-CG1 4.23Å; V30-I191 HydrophobicContact CB-CD1 4.25Å; V30-I191 HydrophobicContact CG1-CB 4.21Å; V30-I191 HydrophobicContact CG1-CD1 4.02Å; V30-I191 HydrophobicContact CG1-CG2 4.08Å
31Y98.6Very high96.8Very high1 Ų148.7 Ų48.70%0.00425%0.253CS..Hα-helixtrans-56.2-53.1175.7166.5-108.8000112S27 L28 I33 F34 C35 T74 L152 A154 E155 I191 V195S27-Y31 WeakPolarHBondContact O-CB 3.17Å; S27-Y31 PolarHBondContact O-N 3.41Å; L28-Y31 HydrophobicContact CD1-CD1 4.4Å; L28-Y31 PolarHBondContact O-N 2.58Å; Y31-I33 VanDerWaalsContact C-N 3.33Å; Y31-I33 PolarHBondContact O-N 2.9Å; Y31-F34 PolarHBondContact O-N 3.06Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; Y31-C35 WeakPolarHBondContact CE2-SG 3.18Å; Y31-C35 PolarHBondContact O-N 3.42Å; Y31-C35 PolarHBondContact O-SG 3.2Å; Y31-C35 VanDerWaalsContact O-SG 3.41Å; Y31-T74 HydrophobicContact CD1-CG2 4.28Å; Y31-T74 HydrophobicContact CE1-CG2 3.88Å; Y31-L152 WeakPolarHBondContact OH-CA 3.42Å; Y31-L152 PolarHBondContact OH-O 2.8Å; Y31-L152 VanDerWaalsContact OH-O 3.11Å; Y31-A154 HydrophobicContact CE2-CB 4.23Å; Y31-E155 HydrophobicContact CD1-CG 4.48Å; Y31-E155 WeakPolarHBondContact CD1-OE2 3.22Å; Y31-E155 HydrophobicContact CD2-CG 3.91Å; Y31-E155 HydrophobicContact CE1-CB 4.29Å; Y31-E155 HydrophobicContact CE1-CG 4.18Å; Y31-E155 HydrophobicContact CE2-CB 4.17Å; Y31-E155 HydrophobicContact CE2-CG 3.58Å; Y31-E155 HydrophobicContact CG-CG 4.34Å; Y31-I191 HydrophobicContact CD2-CG2 4.48Å; Y31-V195 HydrophobicContact CD2-CG2 3.56Å; Y31-V195 HydrophobicContact CE2-CG2 3.85Å
32L98.3Very high96.7Very high61 Ų6145.1 Ų45.132%0.31924%0.239SC..Hα-helixtrans-61.3-42.7-178.8-70.2173.9000111.5L28 T29 F34 C35 L36 L71L28-L32 HydrophobicContact CD1-CD1 4.08Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.46Å; L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.77Å; T29-L32 PolarHBondContact O-N 2.85Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 3.27Å; L32-C35 PolarHBondContact O-N 2.81Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.72Å; L32-L71 HydrophobicContact CD2-CD2 3.87Å
33I98.6Very high96.4Very high92 Ų9249.5 Ų49.547%0.47226%0.263SS..Hα-helixtrans-59.6-44.5176-73.2171.4000110.9T29 V30 Y31 C35 L36 P37T29-I33 HydrophobicContact CG2-CD1 3.64Å; T29-I33 HydrophobicContact CG2-CG1 4.28Å; T29-I33 WeakPolarHBondContact O-CB 3.31Å; T29-I33 VanDerWaalsContact O-CG1 3.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.24Å; T29-I33 PolarHBondContact O-N 2.94Å; V30-I33 PolarHBondContact O-N 3.17Å; Y31-I33 VanDerWaalsContact C-N 3.33Å; Y31-I33 PolarHBondContact O-N 2.9Å; I33-C35 VanDerWaalsContact C-N 3.31Å; I33-C35 PolarHBondContact O-N 3.01Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.01Å; I33-P37 VanDerWaalsContact O-CD 3.26Å; I33-P37 WeakPolarHBondContact O-CD 3.27Å
34F98.6Very high96.3Very high41 Ų4149 Ų4918%0.1826%0.258CS..Hα-helixtrans-70-26.3179.1-69.3-20.5000113.7V30 Y31 L32 P37 F38 I188 I191 W192 V195V30-F34 HydrophobicContact CG1-CD2 3.75Å; V30-F34 HydrophobicContact CG1-CE2 3.39Å; V30-F34 HydrophobicContact CG1-CZ 3.99Å; V30-F34 WeakPolarHBondContact O-CG 3.38Å; V30-F34 PolarHBondContact O-N 2.97Å; Y31-F34 PolarHBondContact O-N 3.06Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 3.27Å; F34-P37 WeakPolarHBondContact O-CD 3.41Å; F34-F38 VanDerWaalsContact O-CD2 3.25Å; F34-F38 WeakPolarHBondContact O-CD2 3.45Å; F34-I188 HydrophobicContact CE2-CG2 4.12Å; F34-I188 WeakPolarHBondContact CE2-O 3.21Å; F34-I188 HydrophobicContact CZ-CG2 3.8Å; F34-I191 HydrophobicContact CD2-CG2 4.06Å; F34-W192 HydrophobicContact CB-CE3 4.15Å; F34-W192 HydrophobicContact CB-CZ3 4.49Å; F34-W192 AromaticContact CD1-CE3 3.78Å; F34-W192 HydrophobicContact CD1-CE3 3.78Å; F34-W192 HydrophobicContact CD1-CZ3 4.21Å; F34-W192 HydrophobicContact CD2-CB 3.89Å; F34-W192 HydrophobicContact CD2-CE3 4.01Å; F34-W192 HydrophobicContact CE1-CE3 4.07Å; F34-W192 HydrophobicContact CE2-CB 3.58Å; F34-W192 HydrophobicContact CE2-CE3 4.3Å; F34-W192 AromaticContact CG-CE3 3.73Å; F34-W192 HydrophobicContact CG-CE3 3.73Å; F34-W192 HydrophobicContact CG-CZ3 4.36Å; F34-W192 HydrophobicContact CZ-CB 4.18Å; F34-W192 HydrophobicContact CZ-CE3 4.31Å; F34-V195 HydrophobicContact CB-CB 4.29Å; F34-V195 HydrophobicContact CB-CG1 4.09Å; F34-V195 HydrophobicContact CB-CG2 4.18Å
35C98.3Very high96Very high1 Ų149.1 Ų49.11%0.00726%0.259CS..Hα-helixtrans-69.8-31.6171.8-73.30000113.1Y31 L32 I33 F38 L39 A151 L152Y31-C35 WeakPolarHBondContact CE2-SG 3.18Å; Y31-C35 PolarHBondContact O-N 3.42Å; Y31-C35 PolarHBondContact O-SG 3.2Å; Y31-C35 VanDerWaalsContact O-SG 3.41Å; L32-C35 PolarHBondContact O-N 2.81Å; I33-C35 VanDerWaalsContact C-N 3.31Å; I33-C35 PolarHBondContact O-N 3.01Å; C35-F38 PolarHBondContact O-N 2.89Å; C35-F38 VanDerWaalsContact O-N 3.17Å; C35-L39 HydrophobicContact CB-CD1 4.41Å; C35-L39 WeakPolarHBondContact O-CG 3.46Å; C35-L39 PolarHBondContact O-N 3.37Å; C35-A151 HydrophobicContact CB-CB 4.22Å; C35-A151 PolarHBondContact SG-O 2.74Å; C35-L152 HydrophobicContact CB-CD2 4.29Å
36L97.3Very high95.4Very high109 Ų10947.8 Ų47.857%0.57127%0.265SS*.Hα-helixtrans-55.7-47.2-172.2-70.1178.4000114.6L32 I33 F38 L39 L40L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.72Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.01Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 2.86Å; L36-L40 PolarHBondContact O-N 3.29Å
37P96.2Very high94.9Very high62 Ų6255.8 Ų55.840%0.40329%0.294SS..Hα-helixtrans-59.6-41.3178-24.934.6000112.8I33 F34 L40 L41I33-P37 VanDerWaalsContact O-CD 3.26Å; I33-P37 WeakPolarHBondContact O-CD 3.27Å; F34-P37 WeakPolarHBondContact O-CD 3.41Å; P37-L40 WeakPolarHBondContact O-CB 3.2Å; P37-L40 PolarHBondContact O-N 3.03Å; P37-L41 WeakPolarHBondContact O-CG 3.39Å; P37-L41 PolarHBondContact O-N 3.31Å
38F96Very high94.6Very high0 Ų061.9 Ų61.90%031%0.314CS..Hα-helixtrans-73.4-35.4-178.8-58.8-66.4000112.2F34 C35 L36 L40 L41 D42 A151 W192 V195 E196 C199 L203 W205F34-F38 VanDerWaalsContact O-CD2 3.25Å; F34-F38 WeakPolarHBondContact O-CD2 3.45Å; C35-F38 PolarHBondContact O-N 2.89Å; C35-F38 VanDerWaalsContact O-N 3.17Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 3.14Å; F38-L40 VanDerWaalsContact C-N 3.31Å; F38-L40 PolarHBondContact O-N 3.31Å; F38-L41 HydrophobicContact CD1-CD1 4.08Å; F38-L41 CarbonylContact O-C 2.88Å; F38-L41 WeakPolarHBondContact O-CA 3.28Å; F38-L41 WeakPolarHBondContact O-CB 3.47Å; F38-L41 PolarHBondContact O-N 3.06Å; F38-L41 VanDerWaalsContact O-N 3.11Å; F38-D42 PolarHBondContact O-N 3.4Å; F38-A151 HydrophobicContact CB-CB 3.64Å; F38-A151 HydrophobicContact CD2-CB 3.96Å; F38-A151 HydrophobicContact CG-CB 4.14Å; F38-W192 HydrophobicContact CE2-CH2 4.04Å; F38-W192 HydrophobicContact CE2-CZ3 4.08Å; F38-W192 AromaticContact CZ-CH2 3.82Å; F38-W192 HydrophobicContact CZ-CH2 3.82Å; F38-W192 HydrophobicContact CZ-CZ2 4.41Å; F38-W192 HydrophobicContact CZ-CZ3 4.33Å; F38-V195 HydrophobicContact CD2-CG1 3.83Å; F38-V195 HydrophobicContact CE2-CG1 3.85Å; F38-E196 HydrophobicContact CZ-CG 4.36Å; F38-C199 HydrophobicContact CB-CB 4.26Å; F38-C199 HydrophobicContact CD1-CB 3.39Å; F38-C199 HydrophobicContact CD2-CB 3.94Å; F38-C199 HydrophobicContact CE1-CB 3.54Å; F38-C199 HydrophobicContact CE2-CB 4.09Å; F38-C199 HydrophobicContact CG-CB 3.6Å; F38-C199 HydrophobicContact CZ-CB 3.89Å; F38-L203 HydrophobicContact CD1-CD1 4.33Å; F38-L203 HydrophobicContact CE1-CD1 3.86Å; F38-W205 AromaticContact CE1-CH2 3.95Å; F38-W205 HydrophobicContact CE1-CH2 3.95Å; F38-W205 HydrophobicContact CE1-CZ3 4.37Å; F38-W205 HydrophobicContact CZ-CH2 4.32Å; F38-W205 HydrophobicContact CZ-CZ3 4.44Å
39L94.3Very high94.2Very high47 Ų4765.5 Ų65.525%0.24634%0.341CS..Hα-helixtrans-62.2-39.2170.2-72178.2000112.2C35 L36 L41 D42 L43 I62 L152C35-L39 HydrophobicContact CB-CD1 4.41Å; C35-L39 WeakPolarHBondContact O-CG 3.46Å; C35-L39 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 2.86Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-D42 PolarHBondContact O-N 3.05Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.41Å; L39-I62 HydrophobicContact CD2-CD1 4.43Å; L39-L152 HydrophobicContact CD1-CD1 4.29Å; L39-L152 HydrophobicContact CD1-CD2 4.23Å; L39-L152 HydrophobicContact CD1-CG 4.26Å; L39-L152 HydrophobicContact CD2-CD1 3.71Å; L39-L152 HydrophobicContact CD2-CG 3.86Å; L39-L152 HydrophobicContact CG-CG 4.41Å
40L93.8Very high93.9Very high97 Ų9768.2 Ų68.251%0.50835%0.352SS..Hα-helixtrans-62.7-41.6172.1179.662.1000111L36 P37 F38 D42 L43 L44L36-L40 PolarHBondContact O-N 3.29Å; P37-L40 WeakPolarHBondContact O-CB 3.2Å; P37-L40 PolarHBondContact O-N 3.03Å; F38-L40 VanDerWaalsContact C-N 3.31Å; F38-L40 PolarHBondContact O-N 3.31Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-D42 PolarHBondContact O-N 3.02Å; L40-L43 PolarHBondContact O-N 3.44Å; L40-L44 HydrophobicContact CD1-CD1 4.07Å; L40-L44 HydrophobicContact CD1-CG 4.17Å; L40-L44 HydrophobicContact CG-CD1 3.91Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.34Å; L40-L44 PolarHBondContact O-N 3.15Å
41L94.1Very high93.5Very high30 Ų3068.2 Ų68.216%0.15735%0.352CS..Hα-helixtrans-61.3-40.4174.3-66175.8000112P37 F38 L39 L43 L44 S45 V51 Y201 L203P37-L41 WeakPolarHBondContact O-CG 3.39Å; P37-L41 PolarHBondContact O-N 3.31Å; F38-L41 HydrophobicContact CD1-CD1 4.08Å; F38-L41 CarbonylContact O-C 2.88Å; F38-L41 WeakPolarHBondContact O-CA 3.28Å; F38-L41 WeakPolarHBondContact O-CB 3.47Å; F38-L41 PolarHBondContact O-N 3.06Å; F38-L41 VanDerWaalsContact O-N 3.11Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 3.21Å; L41-L44 PolarHBondContact O-N 3.42Å; L41-S45 VanDerWaalsContact O-CB 3.31Å; L41-S45 WeakPolarHBondContact O-CB 3.18Å; L41-S45 PolarHBondContact O-N 3.05Å; L41-V51 HydrophobicContact CB-CG1 4.16Å; L41-V51 HydrophobicContact CD2-CG1 3.84Å; L41-V51 HydrophobicContact CD2-CG2 4.36Å; L41-Y201 HydrophobicContact CB-CE1 4.36Å; L41-Y201 HydrophobicContact CB-CE2 4.01Å; L41-Y201 HydrophobicContact CD1-CD2 4.48Å; L41-Y201 PolarHBondContact O-OH 3.07Å; L41-L203 HydrophobicContact CD1-CD1 3.6Å; L41-L203 HydrophobicContact CD1-CD2 4.18Å
42D92.4Very high93.2Very high23 Ų2371.7 Ų71.712%0.12337%0.368CS..Hα-helixtrans-62.4-39175.2-76.6-49000113.4F38 L39 L40 S45 K55 I62 Y201F38-D42 PolarHBondContact O-N 3.4Å; L39-D42 PolarHBondContact O-N 3.05Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-D42 PolarHBondContact O-N 3.02Å; D42-S45 PolarHBondContact O-OG 3.14Å; D42-K55 IonicContact OD1-NZ 3.27Å; D42-K55 PolarHBondContact OD1-NZ 3.49Å; D42-I62 HydrophobicContact CB-CD1 4.44Å; D42-I62 WeakPolarHBondContact OD2-CD1 3.39Å; D42-Y201 VanDerWaalsContact CA-OH 3.26Å; D42-Y201 WeakPolarHBondContact CA-OH 3.48Å; D42-Y201 PolarHBondContact N-OH 3.11Å; D42-Y201 PolarHBondContact OD1-OH 3.22Å
43L90.5Very high93Very high127 Ų12775 Ų7567%0.66538%0.38SS*.Hα-helixtrans-66.4-42174.5-67.2173.3000111.5L39 L40 L41 S46L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.41Å; L40-L43 PolarHBondContact O-N 3.44Å; L41-L43 PolarHBondContact O-N 3.21Å; L43-S46 PolarHBondContact O-OG 3.48Å; L43-S46 VanDerWaalsContact O-OG 3.05Å
44L91.3Very high92.9Very high41 Ų4174 Ų7422%0.21537%0.371CS..Hα-helixtrans-77-29.2-177.5-66.3175.9000113.2L40 L41 S46 R47 W48L40-L44 HydrophobicContact CD1-CD1 4.07Å; L40-L44 HydrophobicContact CD1-CG 4.17Å; L40-L44 HydrophobicContact CG-CD1 3.91Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.34Å; L40-L44 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 3.42Å; L44-S46 PolarHBondContact O-N 3.12Å; L44-R47 PolarHBondContact O-N 2.88Å; L44-W48 HydrophobicContact CB-CE3 4.49Å; L44-W48 HydrophobicContact CD1-CE3 4.29Å; L44-W48 HydrophobicContact CD1-CZ3 4.1Å; L44-W48 HydrophobicContact CD2-CD2 4.38Å; L44-W48 HydrophobicContact CD2-CE3 4.32Å; L44-W48 HydrophobicContact CD2-CH2 4.31Å; L44-W48 HydrophobicContact CD2-CZ2 4.36Å; L44-W48 HydrophobicContact CD2-CZ3 4.28Å; L44-W48 PolarHBondContact O-N 2.52Å
45S90.8Very high92.7Very high10 Ų1073 Ų737%0.0737%0.366CS..Hα-helixtrans-61.2-30.7-174.177.60000112.5L41 D42 R47 H52L41-S45 VanDerWaalsContact O-CB 3.31Å; L41-S45 WeakPolarHBondContact O-CB 3.18Å; L41-S45 PolarHBondContact O-N 3.05Å; D42-S45 PolarHBondContact O-OG 3.14Å; S45-R47 PolarHBondContact O-N 3.31Å; S45-H52 PolarHBondContact O-CD2 2.93Å
46S83.4Confident92.6Very high95 Ų9575 Ų7566%0.66438%0.377SS*.THydrogen-bonded Turntrans-67.6-22176.365.20000113.7L43 L44L43-S46 PolarHBondContact O-OG 3.48Å; L43-S46 VanDerWaalsContact O-OG 3.05Å; L44-S46 PolarHBondContact O-N 3.12Å
47R87.2Confident92.5Very high205 Ų20570.8 Ų70.877%0.77435%0.354SS*.THydrogen-bonded Turntrans-110.8-30.8-173.8-60.3-175.8-177.5-173.6-0.3112.7L44 S45L44-R47 PolarHBondContact O-N 2.88Å; S45-R47 PolarHBondContact O-N 3.31Å
48W91.4Very high92.3Very high149 Ų14971 Ų7156%0.56436%0.356SS*.  trans-119.7110.6-169.8-64.6-4.1000111.7L44 L50 V51 H52L44-W48 HydrophobicContact CB-CE3 4.49Å; L44-W48 HydrophobicContact CD1-CE3 4.29Å; L44-W48 HydrophobicContact CD1-CZ3 4.1Å; L44-W48 HydrophobicContact CD2-CD2 4.38Å; L44-W48 HydrophobicContact CD2-CE3 4.32Å; L44-W48 HydrophobicContact CD2-CH2 4.31Å; L44-W48 HydrophobicContact CD2-CZ2 4.36Å; L44-W48 HydrophobicContact CD2-CZ3 4.28Å; L44-W48 PolarHBondContact O-N 2.52Å; W48-L50 PolarHBondContact O-N 3.39Å; W48-L50 VanDerWaalsContact O-N 3.15Å; W48-V51 HydrophobicContact CB-CG2 4.41Å; W48-V51 HydrophobicContact CE3-CG2 4.46Å; W48-V51 PolarHBondContact O-N 3.5Å; W48-H52 PolarHBondContact O-N 3.21Å
49S90.5Very high91.9Very high97 Ų9778.5 Ų78.568%0.67839%0.391SS*.Hα-helixtrans-58.1-28.9178.758.60000113.6V51 H52 K53S49-V51 VanDerWaalsContact C-N 3.27Å; S49-V51 PolarHBondContact O-N 2.79Å; S49-H52 PolarHBondContact O-N 2.78Å; S49-K53 PolarHBondContact O-N 3.47Å; S49-K53 VanDerWaalsContact O-N 3.09Å
50L90.6Very high91.5Very high126 Ų12677.4 Ų77.466%0.6639%0.387SS*.Hα-helixtrans-63.8-29.3176.7-66.9178.5000113.4W48 K53 Y54W48-L50 PolarHBondContact O-N 3.39Å; W48-L50 VanDerWaalsContact O-N 3.15Å; L50-K53 WeakPolarHBondContact O-CE 3.37Å; L50-K53 WeakPolarHBondContact O-CG 3.26Å; L50-Y54 WeakPolarHBondContact O-CD2 3.35Å; L50-Y54 WeakPolarHBondContact O-CE2 3.26Å
51V90.5Very high90.9Very high18 Ų1877.3 Ų77.311%0.10939%0.394CS..Hα-helixtrans-89-45.1174.31780000109.6L41 W48 S49 K53 Y54 Y201L41-V51 HydrophobicContact CB-CG1 4.16Å; L41-V51 HydrophobicContact CD2-CG1 3.84Å; L41-V51 HydrophobicContact CD2-CG2 4.36Å; W48-V51 HydrophobicContact CB-CG2 4.41Å; W48-V51 HydrophobicContact CE3-CG2 4.46Å; W48-V51 PolarHBondContact O-N 3.5Å; S49-V51 VanDerWaalsContact C-N 3.27Å; S49-V51 PolarHBondContact O-N 2.79Å; V51-K53 PolarHBondContact O-N 2.99Å; V51-K53 VanDerWaalsContact O-N 3.15Å; V51-Y54 PolarHBondContact O-N 2.89Å; V51-Y201 HydrophobicContact CG1-CE1 4.15Å
52H92.6Very high90.4Very high75 Ų7578 Ų7835%0.34740%0.398SS..Hα-helixtrans-54-36.9-177.7-171.3-92.6000113.6S45 W48 S49 Y54 K55 P58S45-H52 PolarHBondContact O-CD2 2.93Å; W48-H52 PolarHBondContact O-N 3.21Å; S49-H52 PolarHBondContact O-N 2.78Å; H52-Y54 PolarHBondContact O-N 2.98Å; H52-Y54 VanDerWaalsContact O-N 3.1Å; H52-K55 VanDerWaalsContact O-CB 3.32Å; H52-K55 WeakPolarHBondContact O-CB 3.03Å; H52-K55 PolarHBondContact O-N 3.36Å; H52-P58 PolarHBondContact NE2-O 3.33Å
53K94.6Very high90.2Very high130 Ų13081 Ų8157%0.56541%0.413SS*.THydrogen-bonded Turntrans-61-18.8179.572.4179.9-171.9171.40114.6S49 L50 V51S49-K53 PolarHBondContact O-N 3.47Å; S49-K53 VanDerWaalsContact O-N 3.09Å; L50-K53 WeakPolarHBondContact O-CE 3.37Å; L50-K53 WeakPolarHBondContact O-CG 3.26Å; V51-K53 PolarHBondContact O-N 2.99Å; V51-K53 VanDerWaalsContact O-N 3.15Å
54Y95.6Very high90.1Very high72 Ų7283.5 Ų83.528%0.28241%0.414SS..THydrogen-bonded Turntrans-94.1-3.8178.1-60.2-63.6000113L50 V51 H52 L56 Y201 D202 L203 P204L50-Y54 WeakPolarHBondContact O-CD2 3.35Å; L50-Y54 WeakPolarHBondContact O-CE2 3.26Å; V51-Y54 PolarHBondContact O-N 2.89Å; H52-Y54 PolarHBondContact O-N 2.98Å; H52-Y54 VanDerWaalsContact O-N 3.1Å; Y54-L56 PolarHBondContact O-N 3.11Å; Y54-Y201 CarbonylContact O-C 3.49Å; Y54-Y201 VanDerWaalsContact O-CA 3.3Å; Y54-Y201 WeakPolarHBondContact O-CA 3.3Å; Y54-D202 VanDerWaalsContact CD1-O 3.3Å; Y54-D202 WeakPolarHBondContact CD1-O 3.33Å; Y54-D202 PolarHBondContact O-N 2.64Å; Y54-L203 HydrophobicContact CD2-CD2 4.03Å; Y54-L203 HydrophobicContact CG-CD2 4.05Å; Y54-P204 HydrophobicContact CE1-CG 4.27Å
55K96.1Very high90.2Very high19 Ų1985.9 Ų85.98%0.08343%0.431CS..BIsolated β-bridgetrans-71.9127.6-179.6-162.3159.4-163.1141.20110D42 H52 S60 Y201D42-K55 IonicContact OD1-NZ 3.27Å; D42-K55 PolarHBondContact OD1-NZ 3.49Å; H52-K55 VanDerWaalsContact O-CB 3.32Å; H52-K55 WeakPolarHBondContact O-CB 3.03Å; H52-K55 PolarHBondContact O-N 3.36Å; K55-S60 WeakPolarHBondContact CE-O 3.47Å; K55-Y201 HydrophobicContact CB-CD1 4.31Å; K55-Y201 HydrophobicContact CB-CE1 4.07Å; K55-Y201 HydrophobicContact CD-CE1 4.36Å; K55-Y201 HydrophobicContact CG-CE1 4.2Å; K55-Y201 PolarHBondContact NZ-OH 3.01Å; K55-Y201 VanDerWaalsContact NZ-OH 3.12Å
56L96.1Very high90.2Very high43 Ų4386.6 Ų86.623%0.22543%0.434CS..SBendtrans-67.5-37.7-176.8-74.1168.8000112Y54 G200 D202 A219 R220 D223Y54-L56 PolarHBondContact O-N 3.11Å; L56-G200 PolarHBondContact N-O 2.98Å; L56-D202 HydrophobicContact CD2-CB 3.82Å; L56-D202 HydrophobicContact CG-CB 4.37Å; L56-A219 HydrophobicContact CD1-CB 3.95Å; L56-R220 HydrophobicContact CD2-CB 4.08Å; L56-R220 HydrophobicContact CD2-CG 4.25Å; L56-D223 HydrophobicContact CD1-CB 3.71Å
57Q95.3Very high90.8Very high20 Ų2082.6 Ų82.69%0.09341%0.407CS..SBendtrans-120.487.8175.6-60-171.240.600109.6Q59 S60 T147 D223 I227Q57-Q59 PolarHBondContact O-N 3.12Å; Q57-Q59 VanDerWaalsContact O-N 3.11Å; Q57-S60 PolarHBondContact O-N 2.62Å; Q57-S60 PolarHBondContact O-OG 3.18Å; Q57-T147 PolarHBondContact NE2-O 3.27Å; Q57-D223 VanDerWaalsContact NE2-CG 3.33Å; Q57-D223 PolarHBondContact NE2-OD1 2.88Å; Q57-D223 PolarHBondContact NE2-OD2 2.91Å; Q57-I227 HydrophobicContact CG-CD1 4.46Å
58P90.3Very high91.2Very high68 Ų6877.3 Ų77.344%0.44239%0.391SS..THydrogen-bonded Turntrans-59.9-26.9-171.3-27.135.6000115.3H52 S60H52-P58 PolarHBondContact NE2-O 3.33Å; P58-S60 VanDerWaalsContact C-N 3.31Å
59Q87.6Confident91.5Very high157 Ų15772.3 Ų72.373%0.73438%0.379SS*.THydrogen-bonded Turntrans-80.3-9.1178.167.7-78.82.700113.8Q57Q57-Q59 PolarHBondContact O-N 3.12Å; Q57-Q59 VanDerWaalsContact O-N 3.11Å
60S85.8Confident91.8Very high24 Ų2467.7 Ų67.717%0.16835%0.347CS..  trans-96.4147.4-178.3780000111.8K55 Q57 P58 S148K55-S60 WeakPolarHBondContact CE-O 3.47Å; Q57-S60 PolarHBondContact O-N 2.62Å; Q57-S60 PolarHBondContact O-OG 3.18Å; P58-S60 VanDerWaalsContact C-N 3.31Å; S60-S148 WeakPolarHBondContact CB-OG 3.42Å; S60-S148 WeakPolarHBondContact OG-CB 3.11Å; S60-S148 PolarHBondContact OG-OG 3.37Å
61S81.3Confident92.1Very high95 Ų9564.3 Ų64.366%0.66433%0.329SS*.  trans-146.8138.7172.9640000109.7N63S61-N63 PolarHBondContact O-N 2.77Å
62I84.1Confident92.5Very high44 Ų4466.3 Ų66.323%0.22635%0.347CS..  trans-73.2117169-52.8168.8000107.7L39 D42 T66 A67 S150L39-I62 HydrophobicContact CD2-CD1 4.43Å; D42-I62 HydrophobicContact CB-CD1 4.44Å; D42-I62 WeakPolarHBondContact OD2-CD1 3.39Å; I62-T66 HydrophobicContact CG2-CG2 4.16Å; I62-A67 HydrophobicContact CG2-CB 4.1Å; I62-S150 WeakPolarHBondContact CD1-OG 3.49Å
63N87.9Confident92.8Very high85 Ų8564.3 Ų64.346%0.45534%0.339SS..  trans-88164.7168.56337.1000110.7S61 T65 T66 A67S61-N63 PolarHBondContact O-N 2.77Å; N63-T65 PolarHBondContact O-N 2.92Å; N63-T65 PolarHBondContact OD1-N 3.46Å; N63-T66 WeakPolarHBondContact O-CB 3.26Å; N63-T66 PolarHBondContact O-N 3.23Å; N63-T66 VanDerWaalsContact O-N 3.11Å; N63-T66 WeakPolarHBondContact OD1-CB 3.2Å; N63-T66 PolarHBondContact OD1-N 3.04Å; N63-T66 PolarHBondContact OD1-OG1 2.84Å; N63-A67 PolarHBondContact O-N 2.94Å; N63-A67 VanDerWaalsContact O-N 3.08Å
64W89.5Confident92.9Very high181 Ų18158.2 Ų58.269%0.68631%0.313SS*.Hα-helixtrans-56.4-38.9-178.9-179.2-114.8000113T66 A67 Q68W64-T66 PolarHBondContact O-N 3.18Å; W64-A67 PolarHBondContact O-N 3.42Å; W64-Q68 HydrophobicContact CD2-CG 4.13Å; W64-Q68 HydrophobicContact CG-CG 4.43Å; W64-Q68 HydrophobicContact CZ2-CG 3.94Å; W64-Q68 WeakPolarHBondContact O-CB 3.47Å; W64-Q68 VanDerWaalsContact O-CG 3.3Å; W64-Q68 WeakPolarHBondContact O-CG 3.22Å; W64-Q68 PolarHBondContact O-N 2.86Å
65T92.8Very high93Very high91 Ų9159.2 Ų59.256%0.55832%0.323SS*.Hα-helixtrans-60.8-44.2177.5-51.40000111.9N63 Q68 S69N63-T65 PolarHBondContact O-N 2.92Å; N63-T65 PolarHBondContact OD1-N 3.46Å; T65-Q68 PolarHBondContact O-N 3.18Å; T65-S69 PolarHBondContact O-N 2.97Å; T65-S69 PolarHBondContact O-OG 3.17Å; T65-S69 VanDerWaalsContact O-OG 3.12Å
66T92.1Very high93.1Very high24 Ų2464.3 Ų64.315%0.14734%0.342CS..Hα-helixtrans-63.5-45.4177.3-58.40000110.9I62 N63 W64 Q68 S69 C70 Y146I62-T66 HydrophobicContact CG2-CG2 4.16Å; N63-T66 WeakPolarHBondContact O-CB 3.26Å; N63-T66 PolarHBondContact O-N 3.23Å; N63-T66 VanDerWaalsContact O-N 3.11Å; N63-T66 WeakPolarHBondContact OD1-CB 3.2Å; N63-T66 PolarHBondContact OD1-N 3.04Å; N63-T66 PolarHBondContact OD1-OG1 2.84Å; W64-T66 PolarHBondContact O-N 3.18Å; T66-Q68 VanDerWaalsContact C-N 3.35Å; T66-Q68 PolarHBondContact O-N 3.41Å; T66-S69 PolarHBondContact O-N 3.41Å; T66-C70 PolarHBondContact O-N 3.3Å; T66-C70 PolarHBondContact O-SG 3.34Å; T66-Y146 HydrophobicContact CG2-CD1 4.15Å; T66-Y146 HydrophobicContact CG2-CE1 3.6Å; T66-Y146 HydrophobicContact CG2-CE2 4.18Å
67A94.8Very high93.2Very high11 Ų1162.6 Ų62.69%0.09133%0.333CS..Hα-helixtrans-60.1-44.7176.500000111.8I62 N63 W64 C70 L71 L152I62-A67 HydrophobicContact CG2-CB 4.1Å; N63-A67 PolarHBondContact O-N 2.94Å; N63-A67 VanDerWaalsContact O-N 3.08Å; W64-A67 PolarHBondContact O-N 3.42Å; A67-C70 PolarHBondContact O-N 3.44Å; A67-L71 WeakPolarHBondContact O-CB 3.31Å; A67-L71 VanDerWaalsContact O-CG 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 3.39Å; A67-L152 HydrophobicContact CB-CD1 3.69Å
68Q96.6Very high93.3Very high94 Ų9462.1 Ų62.144%0.43933%0.331SS..Hα-helixtrans-61.1-44.5175.7-74.1-179.6-45.600112.2W64 T65 T66 C70 L71 A72W64-Q68 HydrophobicContact CD2-CG 4.13Å; W64-Q68 HydrophobicContact CG-CG 4.43Å; W64-Q68 HydrophobicContact CZ2-CG 3.94Å; W64-Q68 WeakPolarHBondContact O-CB 3.47Å; W64-Q68 VanDerWaalsContact O-CG 3.3Å; W64-Q68 WeakPolarHBondContact O-CG 3.22Å; W64-Q68 PolarHBondContact O-N 2.86Å; T65-Q68 PolarHBondContact O-N 3.18Å; T66-Q68 VanDerWaalsContact C-N 3.35Å; T66-Q68 PolarHBondContact O-N 3.41Å; Q68-C70 VanDerWaalsContact C-N 3.34Å; Q68-C70 PolarHBondContact O-N 3.43Å; Q68-L71 PolarHBondContact O-N 2.96Å; Q68-A72 WeakPolarHBondContact O-CB 3.13Å; Q68-A72 PolarHBondContact O-N 2.97Å
69S96.9Very high93.6Very high45 Ų4564.3 Ų64.332%0.31534%0.338SS..Hα-helixtrans-61.8-42176.5-63.70000112.1T65 T66 L73T65-S69 PolarHBondContact O-N 2.97Å; T65-S69 PolarHBondContact O-OG 3.17Å; T65-S69 VanDerWaalsContact O-OG 3.12Å; T66-S69 PolarHBondContact O-N 3.41Å; S69-L73 WeakPolarHBondContact O-CB 3.39Å; S69-L73 PolarHBondContact O-N 2.76Å
70C97.3Very high94.1Very high0 Ų060.5 Ų60.50%032%0.322CS..Hα-helixtrans-63.1-49.9177.3-650000112.1T66 A67 Q68 L73 T74 L152 Y156T66-C70 PolarHBondContact O-N 3.3Å; T66-C70 PolarHBondContact O-SG 3.34Å; A67-C70 PolarHBondContact O-N 3.44Å; Q68-C70 VanDerWaalsContact C-N 3.34Å; Q68-C70 PolarHBondContact O-N 3.43Å; C70-L73 PolarHBondContact O-N 3.38Å; C70-T74 VanDerWaalsContact O-CB 3.29Å; C70-T74 WeakPolarHBondContact O-CB 3.34Å; C70-T74 PolarHBondContact O-N 3.1Å; C70-T74 PolarHBondContact O-OG1 3.1Å; C70-L152 HydrophobicContact CB-CB 3.79Å; C70-Y156 HydrophobicContact CB-CD2 4.34Å
71L97.5Very high94.7Very high55 Ų5562.2 Ų62.229%0.28833%0.327SS..Hα-helixtrans-64.8-42.8179.3-69170.8000111.8L32 A67 Q68 T74 L75 L152L32-L71 HydrophobicContact CD2-CD2 3.87Å; A67-L71 WeakPolarHBondContact O-CB 3.31Å; A67-L71 VanDerWaalsContact O-CG 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 3.39Å; Q68-L71 PolarHBondContact O-N 2.96Å; L71-T74 PolarHBondContact O-N 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.09Å; L71-L152 HydrophobicContact CD2-CD2 3.8Å; L71-L152 HydrophobicContact CG-CD2 4.27Å
72A98.2Very high95.4Very high59 Ų5959.3 Ų59.349%0.48830%0.304SS..Hα-helixtrans-62.9-45.7179.100000111.9Q68 Y76Q68-A72 WeakPolarHBondContact O-CB 3.13Å; Q68-A72 PolarHBondContact O-N 2.97Å; A72-Y76 VanDerWaalsContact O-CB 3.26Å; A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 3.43Å
73L98.3Very high96Very high34 Ų3459.7 Ų59.718%0.17830%0.304CS..Hα-helixtrans-65.9-42.3177.2-178.460.9000111.6S69 C70 L75 Y76 N77 L142 Y156S69-L73 WeakPolarHBondContact O-CB 3.39Å; S69-L73 PolarHBondContact O-N 2.76Å; C70-L73 PolarHBondContact O-N 3.38Å; L73-L75 PolarHBondContact O-N 2.97Å; L73-Y76 HydrophobicContact CD1-CD1 4.4Å; L73-Y76 PolarHBondContact O-N 2.96Å; L73-N77 WeakPolarHBondContact O-CB 3.33Å; L73-N77 PolarHBondContact O-N 3.23Å; L73-L142 HydrophobicContact CD2-CD2 3.69Å; L73-L142 HydrophobicContact CD2-CG 4.4Å; L73-Y156 HydrophobicContact CB-CD2 4.11Å; L73-Y156 HydrophobicContact CB-CE2 4.13Å; L73-Y156 HydrophobicContact CD2-CD2 3.52Å; L73-Y156 HydrophobicContact CD2-CE2 3.63Å; L73-Y156 HydrophobicContact CD2-CG 4.08Å; L73-Y156 HydrophobicContact CG-CD2 4.43Å
74T97.9Very high96.4Very high2 Ų258.7 Ų58.71%0.01230%0.302CS..Hα-helixtrans-57.1-51.3176.2-62.70000111.2L28 Y31 C70 L71 Y76 N77 H78 E155L28-T74 HydrophobicContact CD1-CG2 3.89Å; Y31-T74 HydrophobicContact CD1-CG2 4.28Å; Y31-T74 HydrophobicContact CE1-CG2 3.88Å; C70-T74 VanDerWaalsContact O-CB 3.29Å; C70-T74 WeakPolarHBondContact O-CB 3.34Å; C70-T74 PolarHBondContact O-N 3.1Å; C70-T74 PolarHBondContact O-OG1 3.1Å; L71-T74 PolarHBondContact O-N 3.27Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 3.41Å; T74-N77 PolarHBondContact O-N 2.95Å; T74-H78 WeakPolarHBondContact O-CB 3.49Å; T74-H78 PolarHBondContact O-N 3.06Å; T74-H78 PolarHBondContact O-ND1 3.05Å; T74-E155 HydrophobicContact CG2-CB 4.36Å; T74-E155 WeakPolarHBondContact CG2-OE2 3.47Å
75L97.9Very high96.6Very high93 Ų9354.1 Ų54.149%0.48729%0.29SS..Hα-helixtrans-63.5-40.7179.2-70.7172000111.6L28 L71 L73 H78 L79L28-L75 HydrophobicContact CD2-CD2 4.01Å; L71-L75 WeakPolarHBondContact O-CB 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.09Å; L73-L75 PolarHBondContact O-N 2.97Å; L75-H78 PolarHBondContact O-N 3.47Å; L75-L79 VanDerWaalsContact O-CB 3.23Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 3.43Å
76Y98.3Very high96.6Very high126 Ų12651 Ų5149%0.49427%0.271SS..Hα-helixtrans-60.9-49.2175.4175.6-100.3000111.5A72 L73 T74 H78 L79 I80 F81A72-Y76 VanDerWaalsContact O-CB 3.26Å; A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 3.43Å; L73-Y76 HydrophobicContact CD1-CD1 4.4Å; L73-Y76 PolarHBondContact O-N 2.96Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 3.41Å; Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 2.98Å; Y76-L79 PolarHBondContact O-N 2.88Å; Y76-I80 HydrophobicContact CD2-CG1 3.72Å; Y76-I80 HydrophobicContact CE2-CB 4.32Å; Y76-I80 HydrophobicContact CE2-CG1 3.62Å; Y76-I80 HydrophobicContact CG-CG1 4.41Å; Y76-I80 WeakPolarHBondContact O-CB 3.39Å; Y76-I80 WeakPolarHBondContact O-CG1 3.4Å; Y76-I80 PolarHBondContact O-N 3.45Å; Y76-F81 HydrophobicContact CD1-CE2 4.28Å; Y76-F81 AromaticContact CE1-CE2 3.6Å; Y76-F81 HydrophobicContact CE1-CE2 3.6Å; Y76-F81 HydrophobicContact CE1-CZ 4.35Å
77N97.8Very high96.7Very high6 Ų652.1 Ų52.13%0.03228%0.278CS..Hα-helixtrans-60.6-43.6178.7-76.2-11.8000111.5L73 T74 F81 I82 S157 T162L73-N77 WeakPolarHBondContact O-CB 3.33Å; L73-N77 PolarHBondContact O-N 3.23Å; T74-N77 PolarHBondContact O-N 2.95Å; N77-F81 PolarHBondContact O-N 2.8Å; N77-F81 VanDerWaalsContact O-N 3.11Å; N77-I82 PolarHBondContact O-N 3.24Å; N77-I82 VanDerWaalsContact O-N 3.08Å; N77-S157 PolarHBondContact ND2-O 3.36Å; N77-T162 PolarHBondContact ND2-OG1 3.34Å
78H97.4Very high96.7Very high10 Ų1055.9 Ų55.95%0.04630%0.296CS..Iπ-helixtrans-64.1-47.6177.9-81.873.3000112.4V24 T74 L75 Y76 F83 E155V24-H78 HydrophobicContact CG2-CB 4.3Å; T74-H78 WeakPolarHBondContact O-CB 3.49Å; T74-H78 PolarHBondContact O-N 3.06Å; T74-H78 PolarHBondContact O-ND1 3.05Å; L75-H78 PolarHBondContact O-N 3.47Å; Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 2.98Å; H78-F83 WeakPolarHBondContact O-CB 3.2Å; H78-F83 PolarHBondContact O-N 3.47Å; H78-E155 IonicContact CE1-OE2 3.14Å; H78-E155 PolarHBondContact CE1-OE2 2.95Å; H78-E155 IonicContact ND1-OE2 3.88Å
79L96.9Very high96.5Very high114 Ų11455.7 Ų55.760%0.59730%0.298SS*.Iπ-helixtrans-72.3-42.3-175.5-178.163000112.9L75 Y76 P84L75-L79 VanDerWaalsContact O-CB 3.23Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 3.43Å; Y76-L79 PolarHBondContact O-N 2.88Å; L79-P84 WeakPolarHBondContact O-CD 3.27Å
80I97.9Very high96.3Very high78 Ų7858.3 Ų58.340%0.430%0.301SS..Iπ-helixtrans-90.8-28.6-169.4-58-56.8000112.5Y76 P84Y76-I80 HydrophobicContact CD2-CG1 3.72Å; Y76-I80 HydrophobicContact CE2-CB 4.32Å; Y76-I80 HydrophobicContact CE2-CG1 3.62Å; Y76-I80 HydrophobicContact CG-CG1 4.41Å; Y76-I80 WeakPolarHBondContact O-CB 3.39Å; Y76-I80 WeakPolarHBondContact O-CG1 3.4Å; Y76-I80 PolarHBondContact O-N 3.45Å; I80-P84 WeakPolarHBondContact O-CG 3.22Å
81F96.8Very high96Very high60 Ų6067 Ų6726%0.26334%0.335SS..Iπ-helixtrans-120.3-54.7-174.2-55.7-79.1000112.9Y76 N77 L85 V159 L163Y76-F81 HydrophobicContact CD1-CE2 4.28Å; Y76-F81 AromaticContact CE1-CE2 3.6Å; Y76-F81 HydrophobicContact CE1-CE2 3.6Å; Y76-F81 HydrophobicContact CE1-CZ 4.35Å; N77-F81 PolarHBondContact O-N 2.8Å; N77-F81 VanDerWaalsContact O-N 3.11Å; F81-L85 WeakPolarHBondContact O-CB 3.05Å; F81-L85 VanDerWaalsContact O-CG 3.28Å; F81-L85 WeakPolarHBondContact O-CG 3.47Å; F81-L85 PolarHBondContact O-N 3.33Å; F81-V159 HydrophobicContact CB-CG2 4.02Å; F81-V159 HydrophobicContact CD1-CG2 3.55Å; F81-V159 HydrophobicContact CD2-CB 4.2Å; F81-V159 HydrophobicContact CD2-CG2 3.44Å; F81-V159 VanDerWaalsContact CD2-CG2 3.44Å; F81-V159 HydrophobicContact CE1-CG2 3.77Å; F81-V159 HydrophobicContact CE2-CB 4.07Å; F81-V159 HydrophobicContact CE2-CG2 3.66Å; F81-V159 HydrophobicContact CG-CG2 3.38Å; F81-V159 HydrophobicContact CZ-CB 4.33Å; F81-V159 HydrophobicContact CZ-CG2 3.82Å; F81-L163 HydrophobicContact CB-CD2 4.17Å
82I96.2Very high95.8Very high34 Ų3470 Ų7017%0.17435%0.351CS..Iπ-helixtrans-66.4-45.1-176.1-56.9177.6000110.5V24 N77 L85 T86 T162V24-I82 HydrophobicContact CG2-CB 4.49Å; V24-I82 HydrophobicContact CG2-CG2 4.11Å; N77-I82 PolarHBondContact O-N 3.24Å; N77-I82 VanDerWaalsContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 3.49Å; I82-T86 HydrophobicContact CG2-CG2 4.05Å; I82-T86 WeakPolarHBondContact O-CG2 3.3Å; I82-T86 PolarHBondContact O-N 2.86Å; I82-T86 PolarHBondContact O-OG1 3.25Å; I82-T162 HydrophobicContact CD1-CG2 3.83Å; I82-T162 HydrophobicContact CG1-CG2 4.42Å
83F96.6Very high95.4Very high51 Ų5173.2 Ų73.222%0.22435%0.35CS..Hα-helixtrans-60.2-53.8-178.5172.4-114.9000112.4F21 V24 H78 L85 T86 V87F21-F83 HydrophobicContact CD1-CD2 4.3Å; F21-F83 AromaticContact CD1-CE2 3.23Å; F21-F83 HydrophobicContact CD1-CE2 3.23Å; F21-F83 AromaticContact CD1-CZ 3.51Å; F21-F83 HydrophobicContact CD1-CZ 3.51Å; F21-F83 HydrophobicContact CE1-CE1 4.36Å; F21-F83 AromaticContact CE1-CE2 3.54Å; F21-F83 HydrophobicContact CE1-CE2 3.54Å; F21-F83 AromaticContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CG-CE2 4.13Å; F21-F83 HydrophobicContact CZ-CZ 4.22Å; V24-F83 HydrophobicContact CG1-CB 4.3Å; V24-F83 HydrophobicContact CG1-CD2 3.64Å; V24-F83 HydrophobicContact CG1-CE2 4.48Å; V24-F83 HydrophobicContact CG1-CG 4.39Å; V24-F83 HydrophobicContact CG2-CB 4.21Å; H78-F83 WeakPolarHBondContact O-CB 3.2Å; H78-F83 PolarHBondContact O-N 3.47Å; F83-L85 VanDerWaalsContact C-N 3.26Å; F83-L85 PolarHBondContact O-N 3.24Å; F83-T86 WeakPolarHBondContact CA-OG1 3.49Å; F83-T86 PolarHBondContact O-N 3.38Å; F83-T86 VanDerWaalsContact O-N 3.15Å; F83-T86 PolarHBondContact O-OG1 2.81Å; F83-V87 HydrophobicContact CD2-CG2 3.86Å; F83-V87 HydrophobicContact CE1-CG2 4.22Å; F83-V87 HydrophobicContact CE2-CG2 3.33Å; F83-V87 HydrophobicContact CZ-CG2 3.54Å; F83-V87 WeakPolarHBondContact O-CG2 3.3Å; F83-V87 PolarHBondContact O-N 3.19Å
84P96.6Very high94.8Very high64 Ų6476.7 Ų76.742%0.41638%0.375SS..Hα-helixtrans-56.8-37.4175.6-29.137.8000114L79 I80 V87 L88L79-P84 WeakPolarHBondContact O-CD 3.27Å; I80-P84 WeakPolarHBondContact O-CG 3.22Å; P84-V87 PolarHBondContact O-N 3.26Å; P84-L88 WeakPolarHBondContact O-CB 2.94Å; P84-L88 PolarHBondContact O-N 3.34Å
85L94.4Very high94.4Very high85 Ų8579 Ų7945%0.44539%0.388SS..Hα-helixtrans-68.8-39.7177.6-71.9174000112.7F81 I82 F83 L88 N89 L163F81-L85 WeakPolarHBondContact O-CB 3.05Å; F81-L85 VanDerWaalsContact O-CG 3.28Å; F81-L85 WeakPolarHBondContact O-CG 3.47Å; F81-L85 PolarHBondContact O-N 3.33Å; I82-L85 PolarHBondContact O-N 3.49Å; F83-L85 VanDerWaalsContact C-N 3.26Å; F83-L85 PolarHBondContact O-N 3.24Å; L85-L88 PolarHBondContact O-N 2.88Å; L85-N89 WeakPolarHBondContact O-CB 3.35Å; L85-N89 PolarHBondContact O-N 3.37Å; L85-L163 HydrophobicContact CD1-CD1 4.33Å; L85-L163 HydrophobicContact CD1-CD2 3.31Å; L85-L163 HydrophobicContact CD1-CG 4.41Å
86T93.1Very high94.2Very high25 Ų2580.6 Ų80.615%0.15340%0.397CS..Hα-helixtrans-67.2-38.1175.856.20000111.8P23 I82 F83 N89 W90P23-T86 HydrophobicContact CB-CG2 4.04Å; I82-T86 HydrophobicContact CG2-CG2 4.05Å; I82-T86 WeakPolarHBondContact O-CG2 3.3Å; I82-T86 PolarHBondContact O-N 2.86Å; I82-T86 PolarHBondContact O-OG1 3.25Å; F83-T86 WeakPolarHBondContact CA-OG1 3.49Å; F83-T86 PolarHBondContact O-N 3.38Å; F83-T86 VanDerWaalsContact O-N 3.15Å; F83-T86 PolarHBondContact O-OG1 2.81Å; T86-N89 PolarHBondContact O-N 2.86Å; T86-W90 WeakPolarHBondContact O-CB 3.36Å; T86-W90 PolarHBondContact O-N 2.91Å
87V94.4Very high94.1Very high48 Ų4876 Ų7629%0.29138%0.381SS..Hα-helixtrans-63.4-44.61721750000111.1P20 F83 P84 W90 Y91P20-V87 HydrophobicContact CB-CG2 4.25Å; F83-V87 HydrophobicContact CD2-CG2 3.86Å; F83-V87 HydrophobicContact CE1-CG2 4.22Å; F83-V87 HydrophobicContact CE2-CG2 3.33Å; F83-V87 HydrophobicContact CZ-CG2 3.54Å; F83-V87 WeakPolarHBondContact O-CG2 3.3Å; F83-V87 PolarHBondContact O-N 3.19Å; P84-V87 PolarHBondContact O-N 3.26Å; V87-W90 WeakPolarHBondContact O-CB 3.41Å; V87-W90 PolarHBondContact O-N 3.47Å; V87-Y91 PolarHBondContact O-N 3.37Å
88L93.9Very high94.1Very high91 Ų9178.6 Ų78.648%0.47640%0.398SS..Hα-helixtrans-61.2-47.1176.217862.2000111P84 L85 W90 Y91 L92P84-L88 WeakPolarHBondContact O-CB 2.94Å; P84-L88 PolarHBondContact O-N 3.34Å; L85-L88 PolarHBondContact O-N 2.88Å; L88-W90 VanDerWaalsContact C-N 3.31Å; L88-W90 PolarHBondContact O-N 2.85Å; L88-Y91 PolarHBondContact O-N 3.08Å; L88-L92 HydrophobicContact CD1-CD1 3.89Å; L88-L92 HydrophobicContact CD1-CG 4.07Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 WeakPolarHBondContact O-CB 3.16Å; L88-L92 VanDerWaalsContact O-CG 3.24Å; L88-L92 WeakPolarHBondContact O-CG 2.93Å; L88-L92 PolarHBondContact O-N 3.02Å
89N91.5Very high94.1Very high89 Ų8984.9 Ų84.948%0.47643%0.427SS..Hα-helixtrans-59.8-42.6176.6-179.467000111.7L85 T86 Y91 L92 R93L85-N89 WeakPolarHBondContact O-CB 3.35Å; L85-N89 PolarHBondContact O-N 3.37Å; T86-N89 PolarHBondContact O-N 2.86Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; N89-Y91 PolarHBondContact O-N 3.06Å; N89-L92 PolarHBondContact O-N 3.46Å; N89-R93 WeakPolarHBondContact O-CB 3.29Å; N89-R93 PolarHBondContact O-N 3.17Å
90W92.8Very high94.1Very high101 Ų10185.1 Ų85.138%0.38343%0.426SS..Hα-helixtrans-60.8-40.1175.1177.793.5000112.6H18 P20 T86 V87 L88H18-W90 PolarHBondContact O-NE1 2.89Å; P20-W90 HydrophobicContact CB-CB 4.14Å; P20-W90 HydrophobicContact CB-CD2 3.68Å; P20-W90 HydrophobicContact CB-CE3 3.99Å; P20-W90 HydrophobicContact CB-CG 3.74Å; P20-W90 HydrophobicContact CG-CD2 4.37Å; T86-W90 WeakPolarHBondContact O-CB 3.36Å; T86-W90 PolarHBondContact O-N 2.91Å; V87-W90 WeakPolarHBondContact O-CB 3.41Å; V87-W90 PolarHBondContact O-N 3.47Å; L88-W90 VanDerWaalsContact C-N 3.31Å; L88-W90 PolarHBondContact O-N 2.85Å
91Y92.8Very high94.1Very high183 Ų18381.6 Ų81.672%0.71841%0.408SS*.Hα-helixtrans-67.5-38.4176.1-174.4-95.7000112.1V87 L88 N89V87-Y91 PolarHBondContact O-N 3.37Å; L88-Y91 PolarHBondContact O-N 3.08Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; N89-Y91 PolarHBondContact O-N 3.06Å
92L92.7Very high94.2Very high117 Ų11779 Ų7961%0.61340%0.397SS*.Hα-helixtrans-80-23.7-177.3-66.5175.7000113.5L88 N89L88-L92 HydrophobicContact CD1-CD1 3.89Å; L88-L92 HydrophobicContact CD1-CG 4.07Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 WeakPolarHBondContact O-CB 3.16Å; L88-L92 VanDerWaalsContact O-CG 3.24Å; L88-L92 WeakPolarHBondContact O-CG 2.93Å; L88-L92 PolarHBondContact O-N 3.02Å; N89-L92 PolarHBondContact O-N 3.46Å
93R88.9Confident94.2Very high127 Ų12780.1 Ų80.148%0.47941%0.406SS..SBendtrans-132.4121.1-174.8-66.1-172.1-178.4-99.1-1.3111.2N89 V95N89-R93 WeakPolarHBondContact O-CB 3.29Å; N89-R93 PolarHBondContact O-N 3.17Å; R93-V95 PolarHBondContact O-N 3.4Å
94P86.9Confident94.3Very high106 Ų10681 Ų8169%0.68841%0.413SS*.  trans-63.9133.7174.327.4-33000110L96P94-L96 PolarHBondContact O-N 3.33Å
95V89.9Confident94.4Very high50 Ų5082.8 Ų82.830%0.30343%0.425SS..  trans-72.1111.9170.9178.10000108H18 R93 L97H18-V95 PolarHBondContact CE1-O 3Å; R93-V95 PolarHBondContact O-N 3.4Å; V95-L97 HydrophobicContact CG1-CD2 3.84Å; V95-L97 HydrophobicContact CG1-CG 4.15Å
96L93.2Very high94.6Very high128 Ų12883 Ų8367%0.6742%0.423SS*.  trans-96125.2176.9-60.8177.7000109.3P94 P98 P180P94-L96 PolarHBondContact O-N 3.33Å; L96-P98 WeakPolarHBondContact O-CD 3.39Å; L96-P180 VanDerWaalsContact O-CG 3.25Å; L96-P180 WeakPolarHBondContact O-CG 3.34Å
97L96.3Very high94.8Very high30 Ų3082.4 Ų82.416%0.15742%0.419CS..  trans-118.191.5177.3-56.8-178.8000109.3W7 L11 L17 H18 V95 P180W7-L97 HydrophobicContact CH2-CD2 3.96Å; W7-L97 HydrophobicContact CZ2-CB 4.33Å; W7-L97 HydrophobicContact CZ2-CD2 4.48Å; L11-L97 HydrophobicContact CD2-CB 3.87Å; L11-L97 HydrophobicContact CD2-CD1 4.44Å; L17-L97 HydrophobicContact CB-CD1 3.92Å; L17-L97 HydrophobicContact CB-CD2 4.23Å; L17-L97 HydrophobicContact CD1-CD1 4.04Å; L17-L97 HydrophobicContact CD1-CD2 4.12Å; H18-L97 VanDerWaalsContact NE2-CD1 3.32Å; H18-L97 WeakPolarHBondContact NE2-CD1 3.25Å; V95-L97 HydrophobicContact CG1-CD2 3.84Å; V95-L97 HydrophobicContact CG1-CG 4.15Å; L97-P180 HydrophobicContact CD2-CB 4.46Å; L97-P180 HydrophobicContact CD2-CG 4.35Å
98P96.6Very high95Very high59 Ų5983.6 Ų83.638%0.38343%0.426SS..  trans-58.4149.8175.8-22.533.9000111.6W7 L96W7-P98 WeakPolarHBondContact CZ2-O 3.17Å; W7-P98 PolarHBondContact NE1-O 3.5Å; L96-P98 WeakPolarHBondContact O-CD 3.39Å
99Q97.1Very high95.2Very high142 Ų14282 Ų8266%0.66443%0.426SS*.SBendtrans-71.4-38178-67.7-62.5-42.500112.4Q4Q4-Q99 PolarHBondContact NE2-O 2.84Å
100E97.9Very high95.6Very high120 Ų12079 Ų7956%0.56141%0.409SS*.SBendtrans-88.7135-179.4-62.4-60.3148.100110.8H179E100-H179 PolarHBondContact O-NE2 3.42Å
101A98.1Very high95.9Very high4 Ų474.8 Ų74.83%0.03340%0.395CS..PPolyproline II helixtrans-66.9159.1171.900000110.8M1 L3 Q4 W7M1-A101 WeakPolarHBondContact CE-O 3.41Å; L3-A101 HydrophobicContact CB-CB 4.01Å; Q4-A101 HydrophobicContact CB-CB 4.48Å; Q4-A101 VanDerWaalsContact OE1-CB 3.31Å; W7-A101 HydrophobicContact CB-CB 3.67Å; W7-A101 HydrophobicContact CG-CB 3.99Å
102P97.8Very high96.1Very high6 Ų670.5 Ų70.54%0.03938%0.384CS..PPolyproline II helixtrans-70.2150.4173.330.1-31.6000110L3 M107 H179 L181L3-P102 HydrophobicContact CD1-CG 4.31Å; L3-P102 WeakPolarHBondContact CD1-O 3.44Å; P102-M107 HydrophobicContact CG-CB 4.26Å; P102-H179 HydrophobicContact CB-CB 3.83Å; P102-H179 WeakPolarHBondContact CD-ND1 3.09Å; P102-H179 HydrophobicContact CG-CB 3.87Å; P102-L181 HydrophobicContact CG-CB 4.48Å
103P97.8Very high96.4Very high56 Ų5666.6 Ų66.636%0.36437%0.368SS..PPolyproline II helixtrans-59.2139.6167.7-2030.8000110.6M1 Q106 M107M1-P103 VanDerWaalsContact CE-CA 3.49Å; M1-P103 HydrophobicContact CE-CB 4.01Å; M1-P103 HydrophobicContact CE-CG 3.6Å; P103-Q106 HydrophobicContact CB-CB 4.16Å; P103-Q106 VanDerWaalsContact CD-OE1 3.26Å; P103-Q106 HydrophobicContact CG-CB 4.32Å; P103-Q106 WeakPolarHBondContact O-CB 3.39Å; P103-Q106 PolarHBondContact O-N 3.46Å; P103-Q106 VanDerWaalsContact O-N 3.07Å; P103-M107 PolarHBondContact O-N 2.87Å
104L97.9Very high96.9Very high71 Ų7160.5 Ų60.537%0.37235%0.345SS..Hα-helixtrans-52.8-47.8179.5176.675.8000112.6L2 L3 Q106 M107 V108L2-L104 HydrophobicContact CD2-CB 4.32Å; L2-L104 HydrophobicContact CD2-CD1 4.46Å; L2-L104 HydrophobicContact CD2-CD2 3.69Å; L2-L104 HydrophobicContact CD2-CG 4.36Å; L3-L104 HydrophobicContact CD1-CB 4.38Å; L3-L104 HydrophobicContact CD1-CD1 4.26Å; L3-L104 HydrophobicContact CD2-CD1 4.16Å; L3-L104 HydrophobicContact CG-CD1 4.43Å; L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.11Å; L104-M107 HydrophobicContact CD1-CE 3.88Å; L104-M107 PolarHBondContact O-N 3.29Å; L104-V108 HydrophobicContact CD1-CG2 4.16Å; L104-V108 HydrophobicContact CG-CG2 4.33Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 3.47Å
105P98.2Very high97.4Very high100 Ų10056 Ų5665%0.64932%0.315SS*.Hα-helixtrans-62-36.6179.8-23.435.4000112.8A109P105-A109 VanDerWaalsContact O-CB 3.29Å; P105-A109 WeakPolarHBondContact O-CB 3.27Å; P105-A109 PolarHBondContact O-N 3.29Å
106Q98.3Very high97.8Very high89 Ų8958 Ų5842%0.41632%0.324SS..Hα-helixtrans-66.1-46.5176.4-179.5178.4-7.400111P103 L104 V108 A109 Q110P103-Q106 HydrophobicContact CB-CB 4.16Å; P103-Q106 VanDerWaalsContact CD-OE1 3.26Å; P103-Q106 HydrophobicContact CG-CB 4.32Å; P103-Q106 WeakPolarHBondContact O-CB 3.39Å; P103-Q106 PolarHBondContact O-N 3.46Å; P103-Q106 VanDerWaalsContact O-N 3.07Å; L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.11Å; Q106-V108 PolarHBondContact O-N 2.81Å; Q106-A109 PolarHBondContact O-N 3.24Å; Q106-Q110 HydrophobicContact CG-CG 4.39Å; Q106-Q110 WeakPolarHBondContact O-CB 3.48Å; Q106-Q110 WeakPolarHBondContact O-CG 3.48Å; Q106-Q110 PolarHBondContact O-N 3.29Å
107M98.4Very high98.1Very high14 Ų1454.9 Ų54.97%0.06931%0.308CS..Hα-helixtrans-59.4-46.4177179.8178.878.700111.4L3 P102 P103 L104 Q110 V111 L181 T182 L185L3-M107 HydrophobicContact CD1-CB 4.16Å; L3-M107 HydrophobicContact CD1-CE 3.46Å; L3-M107 VanDerWaalsContact CD1-CE 3.46Å; L3-M107 HydrophobicContact CD1-CG 4.48Å; L3-M107 HydrophobicContact CD1-SD 3.49Å; L3-M107 WeakPolarHBondContact CD1-SD 3.22Å; L3-M107 HydrophobicContact CD2-CE 3.94Å; L3-M107 HydrophobicContact CG-CE 4.36Å; P102-M107 HydrophobicContact CG-CB 4.26Å; P103-M107 PolarHBondContact O-N 2.87Å; L104-M107 HydrophobicContact CD1-CE 3.88Å; L104-M107 PolarHBondContact O-N 3.29Å; M107-Q110 PolarHBondContact O-N 3.06Å; M107-V111 HydrophobicContact CG-CG2 4.41Å; M107-V111 WeakPolarHBondContact O-CB 3.46Å; M107-V111 VanDerWaalsContact O-CG2 3.3Å; M107-V111 WeakPolarHBondContact O-CG2 3.25Å; M107-V111 PolarHBondContact O-N 3.43Å; M107-L181 HydrophobicContact SD-CG 4.43Å; M107-T182 HydrophobicContact CG-CG2 4.03Å; M107-L185 HydrophobicContact CE-CD2 3.45Å; M107-L185 VanDerWaalsContact CE-CD2 3.45Å; M107-L185 HydrophobicContact CG-CD2 4.02Å; M107-L185 HydrophobicContact SD-CD2 3.6Å; M107-L185 VanDerWaalsContact SD-CD2 3.6Å
108V98.4Very high98.2Very high72 Ų7253.9 Ų53.944%0.43630%0.302SS..Hα-helixtrans-61.7-48.1178.3172.30000110.8L104 Q106 Q110 V111 L112L104-V108 HydrophobicContact CD1-CG2 4.16Å; L104-V108 HydrophobicContact CG-CG2 4.33Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 3.47Å; Q106-V108 PolarHBondContact O-N 2.81Å; V108-Q110 PolarHBondContact O-N 3.05Å; V108-V111 PolarHBondContact O-N 3.23Å; V108-L112 HydrophobicContact CG1-CD1 4.04Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 WeakPolarHBondContact O-CB 3.49Å; V108-L112 VanDerWaalsContact O-CG 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.3Å; V108-L112 PolarHBondContact O-N 2.98Å
109A98.7Very high98.3Very high58 Ų5851.1 Ų51.148%0.47928%0.284SS..Hα-helixtrans-61.1-42.917900000112.3P105 Q106 L112 A113P105-A109 VanDerWaalsContact O-CB 3.29Å; P105-A109 WeakPolarHBondContact O-CB 3.27Å; P105-A109 PolarHBondContact O-N 3.29Å; Q106-A109 PolarHBondContact O-N 3.24Å; A109-L112 PolarHBondContact O-N 2.99Å; A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.47Å
110Q98.7Very high98.4Very high26 Ų2648.5 Ų48.512%0.12127%0.27CS..Hα-helixtrans-69.2-40.4179-78.8-177.7-38.100112.5Q106 M107 V108 A113 C114 L176 T182Q106-Q110 HydrophobicContact CG-CG 4.39Å; Q106-Q110 WeakPolarHBondContact O-CB 3.48Å; Q106-Q110 WeakPolarHBondContact O-CG 3.48Å; Q106-Q110 PolarHBondContact O-N 3.29Å; M107-Q110 PolarHBondContact O-N 3.06Å; V108-Q110 PolarHBondContact O-N 3.05Å; Q110-A113 PolarHBondContact O-N 2.9Å; Q110-C114 WeakPolarHBondContact O-CB 3.42Å; Q110-C114 PolarHBondContact O-N 3.23Å; Q110-C114 PolarHBondContact O-SG 2.99Å; Q110-C114 VanDerWaalsContact O-SG 3.33Å; Q110-L176 PolarHBondContact NE2-O 3.39Å; Q110-T182 HydrophobicContact CB-CG2 3.64Å
111V98.8Very high98.4Very high12 Ų1244.9 Ų44.97%0.07325%0.254CS..Hα-helixtrans-61.3-46173.6169.10000110.6M107 V108 A113 C114 L115 T182 L185 F186M107-V111 HydrophobicContact CG-CG2 4.41Å; M107-V111 WeakPolarHBondContact O-CB 3.46Å; M107-V111 VanDerWaalsContact O-CG2 3.3Å; M107-V111 WeakPolarHBondContact O-CG2 3.25Å; M107-V111 PolarHBondContact O-N 3.43Å; V108-V111 PolarHBondContact O-N 3.23Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.31Å; V111-C114 PolarHBondContact O-N 3.42Å; V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.46Å; V111-L115 WeakPolarHBondContact O-CG 3.49Å; V111-L115 PolarHBondContact O-N 3.49Å; V111-T182 HydrophobicContact CG2-CG2 3.98Å; V111-L185 HydrophobicContact CG2-CB 4.35Å; V111-L185 HydrophobicContact CG2-CD2 4.09Å; V111-L185 HydrophobicContact CG2-CG 4.14Å; V111-F186 HydrophobicContact CG2-CB 4.28Å
112L98.4Very high98.4Very high94 Ų9445.2 Ų45.249%0.49226%0.256SS..Hα-helixtrans-61.3-42.6176.6-70.2175.5000111.9V108 A109 L115 L116V108-L112 HydrophobicContact CG1-CD1 4.04Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 WeakPolarHBondContact O-CB 3.49Å; V108-L112 VanDerWaalsContact O-CG 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.3Å; V108-L112 PolarHBondContact O-N 2.98Å; A109-L112 PolarHBondContact O-N 2.99Å; L112-L115 PolarHBondContact O-N 3.05Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.08Å
113A98.8Very high98.5Very high34 Ų3445 Ų4528%0.28125%0.254SS..Hα-helixtrans-63-44.317600000112A109 Q110 V111 L115 L116 L117 L176A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.47Å; Q110-A113 PolarHBondContact O-N 2.9Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.31Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 3.46Å; A113-L116 PolarHBondContact O-N 3.37Å; A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.2Å; A113-L117 PolarHBondContact O-N 2.94Å; A113-L176 HydrophobicContact CB-CD1 3.66Å
114C98.8Very high98.5Very high0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-60.6-42.1174.9-72.30000112.1Q110 V111 L117 F118 N172 F186Q110-C114 WeakPolarHBondContact O-CB 3.42Å; Q110-C114 PolarHBondContact O-N 3.23Å; Q110-C114 PolarHBondContact O-SG 2.99Å; Q110-C114 VanDerWaalsContact O-SG 3.33Å; V111-C114 PolarHBondContact O-N 3.42Å; C114-L117 PolarHBondContact O-N 3.31Å; C114-F118 VanDerWaalsContact O-CB 3.31Å; C114-F118 WeakPolarHBondContact O-CB 3.12Å; C114-F118 PolarHBondContact O-N 3.07Å; C114-N172 HydrophobicContact CB-CB 4.27Å; C114-F186 HydrophobicContact CB-CB 4.42Å; C114-F186 HydrophobicContact CB-CD1 4.14Å; C114-F186 HydrophobicContact CB-CD2 3.27Å; C114-F186 HydrophobicContact CB-CE1 4.27Å; C114-F186 HydrophobicContact CB-CE2 3.42Å; C114-F186 VanDerWaalsContact CB-CE2 3.42Å; C114-F186 HydrophobicContact CB-CG 3.65Å; C114-F186 HydrophobicContact CB-CZ 3.93Å
115L98.3Very high98.5Very high11 Ų1144.8 Ų44.86%0.05825%0.246CC..Hα-helixtrans-63.6-45177.3-73.7169.4000111.8V111 L112 A113 F118 D119 F186 V189 N190 L193 Y236V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.46Å; V111-L115 WeakPolarHBondContact O-CG 3.49Å; V111-L115 PolarHBondContact O-N 3.49Å; L112-L115 PolarHBondContact O-N 3.05Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 3.46Å; L115-F118 PolarHBondContact O-N 3.37Å; L115-D119 WeakPolarHBondContact O-CB 3.14Å; L115-D119 PolarHBondContact O-N 2.89Å; L115-F186 HydrophobicContact CD2-CD2 4.19Å; L115-F186 HydrophobicContact CD2-CE2 3.92Å; L115-F186 HydrophobicContact CG-CD2 4.15Å; L115-F186 HydrophobicContact CG-CE2 4.14Å; L115-V189 HydrophobicContact CD1-CG1 3.9Å; L115-V189 HydrophobicContact CD2-CG1 4.16Å; L115-N190 HydrophobicContact CD2-CB 4.48Å; L115-L193 HydrophobicContact CD2-CD1 3.97Å; L115-Y236 HydrophobicContact CD2-CE2 4.49Å
116L98.3Very high98.5Very high93 Ų9340.8 Ų40.849%0.48722%0.218SC..Hα-helixtrans-66-38.9178.2-70.2171.4000112.3L112 A113 F120 F237L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.08Å; A113-L116 PolarHBondContact O-N 3.37Å; L116-F120 WeakPolarHBondContact O-CB 3.31Å; L116-F120 PolarHBondContact O-N 3.47Å; L116-F237 HydrophobicContact CD2-CD2 4.18Å; L116-F237 HydrophobicContact CD2-CE2 4.1Å
117L98.6Very high98.5Very high62 Ų6238.2 Ų38.233%0.32521%0.207SC..Hα-helixtrans-65.5-46174.8-73.9172.3000111.6A113 C114 F120 Q121 N172 L176A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 VanDerWaalsContact O-CG 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.2Å; A113-L117 PolarHBondContact O-N 2.94Å; C114-L117 PolarHBondContact O-N 3.31Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-Q121 WeakPolarHBondContact O-CB 3.35Å; L117-Q121 WeakPolarHBondContact O-CG 3.31Å; L117-Q121 PolarHBondContact O-N 2.87Å; L117-Q121 PolarHBondContact O-OE1 2.93Å; L117-N172 HydrophobicContact CB-CB 4.43Å; L117-N172 HydrophobicContact CD1-CB 4.37Å; L117-L176 HydrophobicContact CD1-CD1 4.01Å; L117-L176 HydrophobicContact CD1-CD2 4.41Å; L117-L176 HydrophobicContact CD1-CG 4.29Å
118F98.8Very high98.5Very high9 Ų940.9 Ų40.94%0.03922%0.221CC..Hα-helixtrans-62.8-46.1177.6-179.7-88.2000111.2C114 L115 F120 Q121 S122 L165 F168 A169 N172 F186 N190 Y236C114-F118 VanDerWaalsContact O-CB 3.31Å; C114-F118 WeakPolarHBondContact O-CB 3.12Å; C114-F118 PolarHBondContact O-N 3.07Å; L115-F118 PolarHBondContact O-N 3.37Å; F118-F120 VanDerWaalsContact C-N 3.32Å; F118-F120 PolarHBondContact O-N 3.05Å; F118-Q121 PolarHBondContact O-N 3.24Å; F118-S122 WeakPolarHBondContact O-CB 3.09Å; F118-S122 PolarHBondContact O-N 2.82Å; F118-L165 WeakPolarHBondContact CE2-O 3.24Å; F118-L165 HydrophobicContact CZ-CD2 4.28Å; F118-F168 HydrophobicContact CD2-CB 3.91Å; F118-F168 HydrophobicContact CE2-CB 4.11Å; F118-A169 HydrophobicContact CD2-CB 4.04Å; F118-A169 HydrophobicContact CE2-CB 3.96Å; F118-N172 PolarHBondContact N-ND2 3.48Å; F118-F186 HydrophobicContact CB-CZ 4.25Å; F118-N190 WeakPolarHBondContact CD1-OD1 3.36Å; F118-Y236 HydrophobicContact CD1-CD2 4.42Å; F118-Y236 AromaticContact CD1-CE2 3.52Å; F118-Y236 HydrophobicContact CD1-CE2 3.52Å; F118-Y236 AromaticContact CE1-CE2 3.74Å; F118-Y236 HydrophobicContact CE1-CE2 3.74Å; F118-Y236 AromaticContact CE1-CZ 3.79Å; F118-Y236 WeakPolarHBondContact CE1-OH 3.24Å
119D98.4Very high98.5Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-58.5-44.1178.3-176.480.1000111.1L115 F123 P235 Y236 F237 H239 W240L115-D119 WeakPolarHBondContact O-CB 3.14Å; L115-D119 PolarHBondContact O-N 2.89Å; D119-F123 WeakPolarHBondContact O-CB 3.45Å; D119-F123 PolarHBondContact O-N 3.28Å; D119-P235 HydrophobicContact CB-CG 4.37Å; D119-P235 WeakPolarHBondContact OD1-CD 3.29Å; D119-P235 WeakPolarHBondContact OD1-CG 3.33Å; D119-Y236 HydrophobicContact CB-CD2 4.29Å; D119-Y236 WeakPolarHBondContact OD1-CA 3.42Å; D119-Y236 WeakPolarHBondContact OD1-CB 3.48Å; D119-Y236 PolarHBondContact OD1-N 3.44Å; D119-F237 HydrophobicContact CB-CD2 4.11Å; D119-F237 PolarHBondContact OD1-N 2.88Å; D119-H239 IonicContact OD2-CE1 3.37Å; D119-H239 PolarHBondContact OD2-CE1 2.86Å; D119-W240 PolarHBondContact OD2-NE1 3.42Å
120F98.6Very high98.5Very high88 Ų8836.5 Ų36.539%0.38619%0.186SC..Hα-helixtrans-64-50.5174.6172.9-113.5000113.3L116 L117 F118 S122 F123 I124 W240L116-F120 WeakPolarHBondContact O-CB 3.31Å; L116-F120 PolarHBondContact O-N 3.47Å; L117-F120 PolarHBondContact O-N 3.27Å; F118-F120 VanDerWaalsContact C-N 3.32Å; F118-F120 PolarHBondContact O-N 3.05Å; F120-S122 PolarHBondContact O-N 3.47Å; F120-F123 PolarHBondContact O-N 2.77Å; F120-I124 HydrophobicContact CD2-CG1 4.15Å; F120-I124 HydrophobicContact CE2-CD1 4.1Å; F120-I124 HydrophobicContact CE2-CG1 3.72Å; F120-I124 HydrophobicContact CZ-CG1 4.05Å; F120-I124 WeakPolarHBondContact O-CG1 3.33Å; F120-I124 PolarHBondContact O-N 3.25Å; F120-I124 VanDerWaalsContact O-N 3.07Å; F120-W240 HydrophobicContact CB-CZ2 3.9Å; F120-W240 HydrophobicContact CD2-CD2 4.39Å; F120-W240 AromaticContact CD2-CE2 3.79Å; F120-W240 AromaticContact CD2-CH2 3.56Å; F120-W240 HydrophobicContact CD2-CH2 3.56Å; F120-W240 AromaticContact CD2-CZ2 3.36Å; F120-W240 HydrophobicContact CD2-CZ2 3.36Å; F120-W240 HydrophobicContact CD2-CZ3 4.15Å; F120-W240 AromaticContact CE2-CH2 3.97Å; F120-W240 HydrophobicContact CE2-CH2 3.97Å; F120-W240 HydrophobicContact CE2-CZ2 4.24Å; F120-W240 HydrophobicContact CE2-CZ3 4.33Å; F120-W240 HydrophobicContact CG-CH2 4.47Å; F120-W240 AromaticContact CG-CZ2 3.97Å; F120-W240 HydrophobicContact CG-CZ2 3.97Å
121Q98.8Very high98.4Very high44 Ų4441.4 Ų41.421%0.20621%0.207CC..Hα-helixtrans-59.8-47.5-179.6-72.1159.6-2000111.1L117 F118 W125 F168 N172L117-Q121 WeakPolarHBondContact O-CB 3.35Å; L117-Q121 WeakPolarHBondContact O-CG 3.31Å; L117-Q121 PolarHBondContact O-N 2.87Å; L117-Q121 PolarHBondContact O-OE1 2.93Å; F118-Q121 PolarHBondContact O-N 3.24Å; Q121-W125 VanDerWaalsContact O-CB 3.31Å; Q121-W125 WeakPolarHBondContact O-CB 3.29Å; Q121-W125 PolarHBondContact O-N 2.9Å; Q121-F168 HydrophobicContact CB-CB 4.3Å; Q121-F168 HydrophobicContact CB-CD1 4.18Å; Q121-F168 HydrophobicContact CB-CD2 3.91Å; Q121-F168 HydrophobicContact CB-CE2 4.27Å; Q121-F168 HydrophobicContact CB-CG 3.87Å; Q121-F168 HydrophobicContact CG-CD1 4.5Å; Q121-N172 PolarHBondContact NE2-OD1 3.46Å; Q121-N172 PolarHBondContact OE1-ND2 3.47Å; Q121-N172 PolarHBondContact OE1-OD1 3.42Å
122S98.3Very high98.3Very high11 Ų1143.7 Ų43.78%0.07722%0.22CC..Hα-helixtrans-66.3-42178.8-179.30000111.4F118 F120 I124 W125 H126F118-S122 WeakPolarHBondContact O-CB 3.09Å; F118-S122 PolarHBondContact O-N 2.82Å; F120-S122 PolarHBondContact O-N 3.47Å; S122-I124 PolarHBondContact O-N 3.44Å; S122-W125 PolarHBondContact O-N 3.46Å; S122-H126 WeakPolarHBondContact O-CB 3.34Å; S122-H126 PolarHBondContact O-N 3.43Å
123F98.7Very high98.3Very high2 Ų243.3 Ų43.31%0.00922%0.224CC..Hα-helixtrans-57-51.5175167.9-102.4000112.3D119 F120 W125 H126 L127 A234 W240 T244D119-F123 WeakPolarHBondContact O-CB 3.45Å; D119-F123 PolarHBondContact O-N 3.28Å; F120-F123 PolarHBondContact O-N 2.77Å; F123-W125 VanDerWaalsContact C-N 3.3Å; F123-W125 PolarHBondContact O-N 3.07Å; F123-H126 PolarHBondContact O-N 3.44Å; F123-L127 HydrophobicContact CE1-CD2 4.43Å; F123-L127 HydrophobicContact CZ-CD2 4.27Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.47Å; F123-L127 PolarHBondContact O-N 2.88Å; F123-A234 HydrophobicContact CD2-CB 4.05Å; F123-W240 HydrophobicContact CB-CB 4.37Å; F123-W240 HydrophobicContact CB-CG 4.22Å; F123-W240 HydrophobicContact CD1-CB 3.65Å; F123-W240 HydrophobicContact CD1-CD2 4.14Å; F123-W240 HydrophobicContact CD1-CE3 4.47Å; F123-W240 AromaticContact CD1-CG 3.77Å; F123-W240 HydrophobicContact CD1-CG 3.77Å; F123-W240 HydrophobicContact CD2-CB 3.53Å; F123-W240 HydrophobicContact CD2-CG 4.26Å; F123-W240 HydrophobicContact CE1-CB 3.73Å; F123-W240 HydrophobicContact CE1-CD2 4.5Å; F123-W240 HydrophobicContact CE1-CE3 4.47Å; F123-W240 HydrophobicContact CE1-CG 4.22Å; F123-W240 HydrophobicContact CE2-CB 3.59Å; F123-W240 HydrophobicContact CG-CB 3.55Å; F123-W240 AromaticContact CG-CG 3.8Å; F123-W240 HydrophobicContact CG-CG 3.8Å; F123-W240 HydrophobicContact CZ-CB 3.7Å; F123-T244 HydrophobicContact CE1-CG2 4.05Å; F123-T244 HydrophobicContact CZ-CG2 3.69Å; F123-T244 WeakPolarHBondContact CZ-OG1 3.3Å
124I98.6Very high98.3Very high68 Ų6849.6 Ų49.635%0.34924%0.24SC..Hα-helixtrans-61.2-44.2179.7-66.1-63.8000110.3F120 S122 L127 L128F120-I124 HydrophobicContact CD2-CG1 4.15Å; F120-I124 HydrophobicContact CE2-CD1 4.1Å; F120-I124 HydrophobicContact CE2-CG1 3.72Å; F120-I124 HydrophobicContact CZ-CG1 4.05Å; F120-I124 WeakPolarHBondContact O-CG1 3.33Å; F120-I124 PolarHBondContact O-N 3.25Å; F120-I124 VanDerWaalsContact O-N 3.07Å; S122-I124 PolarHBondContact O-N 3.44Å; I124-L127 PolarHBondContact O-N 3.42Å; I124-L128 HydrophobicContact CG2-CD1 4.11Å; I124-L128 WeakPolarHBondContact O-CB 3.23Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 3.43Å
125W98.4Very high98.2Very high54 Ų5450.4 Ų50.421%0.20525%0.245CC..Hα-helixtrans-65.1-43.5-179.3-169.7-130.1000112.7Q121 S122 F123 L128 H129 L135 F139 S164 F168Q121-W125 VanDerWaalsContact O-CB 3.31Å; Q121-W125 WeakPolarHBondContact O-CB 3.29Å; Q121-W125 PolarHBondContact O-N 2.9Å; S122-W125 PolarHBondContact O-N 3.46Å; F123-W125 VanDerWaalsContact C-N 3.3Å; F123-W125 PolarHBondContact O-N 3.07Å; W125-L128 HydrophobicContact CE3-CD1 4.25Å; W125-L128 WeakPolarHBondContact O-CB 3.3Å; W125-L128 PolarHBondContact O-N 2.66Å; W125-H129 AromaticContact CD1-CE1 3.52Å; W125-H129 AromaticContact CD1-NE2 3.55Å; W125-H129 AromaticContact CD2-NE2 3.74Å; W125-H129 AromaticContact CE2-CD2 3.82Å; W125-H129 AromaticContact CE2-CE1 3.83Å; W125-H129 AromaticContact CE2-NE2 3.05Å; W125-H129 AromaticContact CZ2-NE2 3.4Å; W125-H129 WeakPolarHBondContact CZ2-NE2 3.39Å; W125-H129 AromaticContact NE1-CE1 3.28Å; W125-H129 PolarHBondContact NE1-CE1 3.23Å; W125-H129 VanDerWaalsContact NE1-CE1 3.28Å; W125-H129 AromaticContact NE1-NE2 2.98Å; W125-H129 PolarHBondContact NE1-NE2 3.03Å; W125-H129 PolarHBondContact O-CD2 3.35Å; W125-H129 PolarHBondContact O-N 3.07Å; W125-L135 HydrophobicContact CH2-CD1 4.26Å; W125-L135 HydrophobicContact CH2-CD2 3.54Å; W125-L135 HydrophobicContact CZ2-CD2 4.24Å; W125-L135 HydrophobicContact CZ3-CD1 4.07Å; W125-L135 HydrophobicContact CZ3-CD2 4.16Å; W125-F139 HydrophobicContact CH2-CE1 4.36Å; W125-F139 HydrophobicContact CH2-CZ 4.39Å; W125-F139 AromaticContact CZ2-CD1 3.65Å; W125-F139 HydrophobicContact CZ2-CD1 3.65Å; W125-F139 AromaticContact CZ2-CE1 3.5Å; W125-F139 HydrophobicContact CZ2-CE1 3.5Å; W125-F139 HydrophobicContact CZ2-CE2 4.43Å; W125-F139 HydrophobicContact CZ2-CG 4.19Å; W125-F139 AromaticContact CZ2-CZ 3.95Å; W125-F139 HydrophobicContact CZ2-CZ 3.95Å; W125-S164 PolarHBondContact NE1-OG 2.91Å; W125-F168 HydrophobicContact CB-CE2 3.86Å; W125-F168 HydrophobicContact CB-CZ 4.27Å; W125-F168 AromaticContact CD1-CE2 3.88Å; W125-F168 AromaticContact CG-CE2 3.93Å; W125-F168 HydrophobicContact CG-CE2 3.93Å; W125-F168 HydrophobicContact CG-CZ 4.2Å
126H98.3Very high98.2Very high16 Ų1652.9 Ų52.97%0.07425%0.254CS..Hα-helixtrans-67.3-41.5178.2-172-162.5000112S122 F123 L128 H129 H130 H140 H225 Y233S122-H126 WeakPolarHBondContact O-CB 3.34Å; S122-H126 PolarHBondContact O-N 3.43Å; F123-H126 PolarHBondContact O-N 3.44Å; H126-L128 VanDerWaalsContact C-N 3.32Å; H126-L128 PolarHBondContact O-N 3.39Å; H126-H129 WeakPolarHBondContact O-CB 3.3Å; H126-H129 PolarHBondContact O-N 3.2Å; H126-H130 AromaticContact CD2-CD2 3.44Å; H126-H130 PolarHBondContact CD2-CD2 3.24Å; H126-H130 VanDerWaalsContact CD2-CD2 3.44Å; H126-H130 AromaticContact CD2-NE2 3.52Å; H126-H130 AromaticContact NE2-CD2 3.43Å; H126-H130 PolarHBondContact NE2-CD2 3.41Å; H126-H130 AromaticContact NE2-NE2 3.1Å; H126-H130 PolarHBondContact NE2-NE2 3.46Å; H126-H130 PolarHBondContact O-CD2 3.2Å; H126-H130 VanDerWaalsContact O-CD2 3.3Å; H126-H130 PolarHBondContact O-N 2.95Å; H126-H140 AromaticContact CD2-CE1 3.55Å; H126-H140 AromaticContact CD2-NE2 3.34Å; H126-H140 PolarHBondContact CD2-NE2 3.46Å; H126-H140 VanDerWaalsContact CD2-NE2 3.34Å; H126-H140 AromaticContact NE2-CD2 3.98Å; H126-H140 AromaticContact NE2-CE1 3.38Å; H126-H140 PolarHBondContact NE2-CE1 3.32Å; H126-H140 AromaticContact NE2-NE2 2.97Å; H126-H140 PolarHBondContact NE2-NE2 2.99Å; H126-H225 AromaticContact CE1-CD2 3.68Å; H126-H225 AromaticContact CE1-CE1 3.41Å; H126-H225 PolarHBondContact CE1-CE1 3.31Å; H126-H225 VanDerWaalsContact CE1-CE1 3.41Å; H126-H225 AromaticContact CE1-ND1 3.9Å; H126-H225 AromaticContact CE1-NE2 3.27Å; H126-H225 PolarHBondContact CE1-NE2 2.86Å; H126-H225 VanDerWaalsContact CE1-NE2 3.27Å; H126-H225 AromaticContact NE2-CD2 3.8Å; H126-H225 AromaticContact NE2-CE1 3.23Å; H126-H225 PolarHBondContact NE2-CE1 2.93Å; H126-H225 AromaticContact NE2-NE2 2.96Å; H126-H225 PolarHBondContact NE2-NE2 3.4Å; H126-Y233 PolarHBondContact ND1-O 2.91Å
127L98.3Very high98.2Very high34 Ų3457.3 Ų57.318%0.17826%0.264CS..Hα-helixtrans-57.4-46.9170.8177.165000110.7F123 I124 H129 H130 K131 Y233F123-L127 HydrophobicContact CE1-CD2 4.43Å; F123-L127 HydrophobicContact CZ-CD2 4.27Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.47Å; F123-L127 PolarHBondContact O-N 2.88Å; I124-L127 PolarHBondContact O-N 3.42Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 2.9Å; L127-H130 PolarHBondContact O-N 3.33Å; L127-K131 HydrophobicContact CD1-CD 4.48Å; L127-K131 HydrophobicContact CD1-CG 3.95Å; L127-K131 HydrophobicContact CG-CG 4.23Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.41Å; L127-K131 PolarHBondContact O-N 2.84Å; L127-Y233 HydrophobicContact CD1-CD2 3.56Å; L127-Y233 HydrophobicContact CD1-CE2 3.54Å; L127-Y233 HydrophobicContact CD1-CG 4.28Å
128L98.3Very high98.1Very high71 Ų7156.9 Ų56.937%0.37226%0.264SS..Hα-helixtrans-63.4-38.6178.2-72.5173.9000112.4I124 W125 H126 H130 K131 V132 L135I124-L128 HydrophobicContact CG2-CD1 4.11Å; I124-L128 WeakPolarHBondContact O-CB 3.23Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 3.43Å; W125-L128 HydrophobicContact CE3-CD1 4.25Å; W125-L128 WeakPolarHBondContact O-CB 3.3Å; W125-L128 PolarHBondContact O-N 2.66Å; H126-L128 VanDerWaalsContact C-N 3.32Å; H126-L128 PolarHBondContact O-N 3.39Å; L128-H130 PolarHBondContact O-N 3.34Å; L128-K131 PolarHBondContact O-N 3.24Å; L128-V132 WeakPolarHBondContact O-CB 3.48Å; L128-V132 PolarHBondContact O-N 2.95Å; L128-L135 HydrophobicContact CB-CD1 3.8Å
129H97.9Very high98.1Very high1 Ų157.7 Ų57.71%0.00527%0.267CS..Hα-helixtrans-51.4-47.2172.1-70.9171.8000111W125 H126 L127 Y136 F139 H140 E161W125-H129 AromaticContact CD1-CE1 3.52Å; W125-H129 AromaticContact CD1-NE2 3.55Å; W125-H129 AromaticContact CD2-NE2 3.74Å; W125-H129 AromaticContact CE2-CD2 3.82Å; W125-H129 AromaticContact CE2-CE1 3.83Å; W125-H129 AromaticContact CE2-NE2 3.05Å; W125-H129 AromaticContact CZ2-NE2 3.4Å; W125-H129 WeakPolarHBondContact CZ2-NE2 3.39Å; W125-H129 AromaticContact NE1-CE1 3.28Å; W125-H129 PolarHBondContact NE1-CE1 3.23Å; W125-H129 VanDerWaalsContact NE1-CE1 3.28Å; W125-H129 AromaticContact NE1-NE2 2.98Å; W125-H129 PolarHBondContact NE1-NE2 3.03Å; W125-H129 PolarHBondContact O-CD2 3.35Å; W125-H129 PolarHBondContact O-N 3.07Å; H126-H129 WeakPolarHBondContact O-CB 3.3Å; H126-H129 PolarHBondContact O-N 3.2Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 2.9Å; H129-Y136 VanDerWaalsContact O-CA 3.24Å; H129-Y136 WeakPolarHBondContact O-CA 3.38Å; H129-Y136 WeakPolarHBondContact O-CB 3.35Å; H129-Y136 PolarHBondContact O-N 3.06Å; H129-F139 WeakPolarHBondContact NE2-CB 3.4Å; H129-F139 AromaticContact NE2-CD1 3.77Å; H129-F139 AromaticContact NE2-CG 3.58Å; H129-H140 HydrophobicContact CB-CB 3.82Å; H129-H140 AromaticContact ND1-CG 3.7Å; H129-H140 AromaticContact ND1-ND1 3.78Å; H129-E161 IonicContact CE1-OE1 3.58Å; H129-E161 IonicContact ND1-OE1 3.42Å
130H97.6Very high98Very high36 Ų3657.8 Ų57.817%0.16727%0.268CS..Hα-helixtrans-83.1-18.7-177.5-71.9-77.8000114.9H126 L127 L128 Y136 H140 H144 H225 S229 Y233H126-H130 AromaticContact CD2-CD2 3.44Å; H126-H130 PolarHBondContact CD2-CD2 3.24Å; H126-H130 VanDerWaalsContact CD2-CD2 3.44Å; H126-H130 AromaticContact CD2-NE2 3.52Å; H126-H130 AromaticContact NE2-CD2 3.43Å; H126-H130 PolarHBondContact NE2-CD2 3.41Å; H126-H130 AromaticContact NE2-NE2 3.1Å; H126-H130 PolarHBondContact NE2-NE2 3.46Å; H126-H130 PolarHBondContact O-CD2 3.2Å; H126-H130 VanDerWaalsContact O-CD2 3.3Å; H126-H130 PolarHBondContact O-N 2.95Å; L127-H130 PolarHBondContact O-N 3.33Å; L128-H130 PolarHBondContact O-N 3.34Å; H130-Y136 AromaticContact CE1-CE2 3.82Å; H130-Y136 AromaticContact ND1-CD2 3.86Å; H130-Y136 AromaticContact ND1-CE2 3.86Å; H130-H140 AromaticContact CD2-CD2 3.87Å; H130-H140 AromaticContact CD2-NE2 3.96Å; H130-H140 AromaticContact CE1-CD2 3.43Å; H130-H140 PolarHBondContact CE1-CD2 3.34Å; H130-H140 VanDerWaalsContact CE1-CD2 3.43Å; H130-H140 AromaticContact CE1-NE2 3.67Å; H130-H140 AromaticContact NE2-CD2 3.05Å; H130-H140 PolarHBondContact NE2-CD2 3.07Å; H130-H140 AromaticContact NE2-NE2 2.98Å; H130-H140 PolarHBondContact NE2-NE2 2.95Å; H130-H144 AromaticContact CE1-CD2 3.99Å; H130-H144 AromaticContact CE1-CE1 3.81Å; H130-H144 AromaticContact CE1-NE2 3.45Å; H130-H144 PolarHBondContact CE1-NE2 3.42Å; H130-H144 AromaticContact NE2-NE2 3.55Å; H130-H225 AromaticContact CD2-CE1 3.69Å; H130-H225 AromaticContact CE1-CE1 3.66Å; H130-H225 AromaticContact CE1-NE2 3.66Å; H130-H225 AromaticContact NE2-CE1 3.09Å; H130-H225 PolarHBondContact NE2-CE1 3.26Å; H130-H225 AromaticContact NE2-NE2 3.1Å; H130-H225 PolarHBondContact NE2-NE2 3.2Å; H130-H225 VanDerWaalsContact NE2-NE2 3.1Å; H130-S229 PolarHBondContact ND1-O 3.42Å; H130-Y233 HydrophobicContact CB-CD1 4.42Å; H130-Y233 HydrophobicContact CB-CE1 3.53Å; H130-Y233 AromaticContact CD2-CD1 3.65Å; H130-Y233 AromaticContact CD2-CE1 3.39Å; H130-Y233 WeakPolarHBondContact CD2-CE1 3.47Å; H130-Y233 AromaticContact CG-CE1 3.53Å
131K97.1Very high98Very high130 Ų13059.4 Ų59.457%0.56528%0.275SS*.Hα-helixtrans-89.9-28.3177.5-64.5-63178.7-174.20113.4L127 L128L127-K131 HydrophobicContact CD1-CD 4.48Å; L127-K131 HydrophobicContact CD1-CG 3.95Å; L127-K131 HydrophobicContact CG-CG 4.23Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.41Å; L127-K131 PolarHBondContact O-N 2.84Å; L128-K131 PolarHBondContact O-N 3.24Å
132V98.1Very high98Very high59 Ų5960.3 Ų60.336%0.35828%0.281SS..SBendtrans-109.2110.9-178.3-177.30000109.6L128 W134 L135 Y136L128-V132 WeakPolarHBondContact O-CB 3.48Å; L128-V132 PolarHBondContact O-N 2.95Å; V132-W134 HydrophobicContact CG1-CB 4.45Å; V132-W134 PolarHBondContact O-N 2.82Å; V132-W134 VanDerWaalsContact O-N 3.08Å; V132-L135 HydrophobicContact CB-CB 4.08Å; V132-L135 HydrophobicContact CB-CD1 3.87Å; V132-L135 HydrophobicContact CB-CG 4Å; V132-L135 HydrophobicContact CG1-CB 4.4Å; V132-L135 HydrophobicContact CG1-CD1 4.3Å; V132-L135 HydrophobicContact CG1-CG 4.06Å; V132-L135 HydrophobicContact CG2-CD1 4.11Å; V132-L135 WeakPolarHBondContact O-CB 3.35Å; V132-L135 PolarHBondContact O-N 3.4Å; V132-Y136 PolarHBondContact O-N 3.11Å
133P97.4Very high97.9Very high87 Ų8760.4 Ų60.457%0.56528%0.28SS*.Hα-helixtrans-57.2-31.2-173.7-29.135.5000115.2R137P133-R137 WeakPolarHBondContact O-CD 3.38Å; P133-R137 VanDerWaalsContact O-CG 3.22Å; P133-R137 WeakPolarHBondContact O-CG 3.31Å; P133-R137 PolarHBondContact O-N 3.24Å; P133-R137 VanDerWaalsContact O-N 3.15Å
134W98.3Very high97.9Very high165 Ų16561.2 Ų61.263%0.62528%0.284SS*.Hα-helixtrans-67.1-47.3175.2175.879.4000111.5V132 Y136 R137 T138 F139V132-W134 HydrophobicContact CG1-CB 4.45Å; V132-W134 PolarHBondContact O-N 2.82Å; V132-W134 VanDerWaalsContact O-N 3.08Å; W134-Y136 VanDerWaalsContact C-N 3.34Å; W134-Y136 PolarHBondContact O-N 3.48Å; W134-R137 PolarHBondContact O-N 3.34Å; W134-T138 HydrophobicContact CZ2-CG2 4.45Å; W134-T138 WeakPolarHBondContact O-CB 3.37Å; W134-T138 PolarHBondContact O-N 2.92Å; W134-T138 PolarHBondContact O-OG1 3.06Å; W134-F139 HydrophobicContact CH2-CE2 4.07Å; W134-F139 HydrophobicContact CZ3-CE2 4.25Å
135L98.1Very high97.7Very high17 Ų1761.3 Ų61.39%0.08929%0.287CS..Hα-helixtrans-60.1-45.1177-71.3179.7000111.2W125 L128 V132 R137 T138 F139W125-L135 HydrophobicContact CH2-CD1 4.26Å; W125-L135 HydrophobicContact CH2-CD2 3.54Å; W125-L135 HydrophobicContact CZ2-CD2 4.24Å; W125-L135 HydrophobicContact CZ3-CD1 4.07Å; W125-L135 HydrophobicContact CZ3-CD2 4.16Å; L128-L135 HydrophobicContact CB-CD1 3.8Å; V132-L135 HydrophobicContact CB-CB 4.08Å; V132-L135 HydrophobicContact CB-CD1 3.87Å; V132-L135 HydrophobicContact CB-CG 4Å; V132-L135 HydrophobicContact CG1-CB 4.4Å; V132-L135 HydrophobicContact CG1-CD1 4.3Å; V132-L135 HydrophobicContact CG1-CG 4.06Å; V132-L135 HydrophobicContact CG2-CD1 4.11Å; V132-L135 WeakPolarHBondContact O-CB 3.35Å; V132-L135 PolarHBondContact O-N 3.4Å; L135-R137 PolarHBondContact O-N 3.47Å; L135-T138 PolarHBondContact O-N 3.31Å; L135-F139 HydrophobicContact CD2-CD2 4.01Å; L135-F139 HydrophobicContact CD2-CE2 3.93Å; L135-F139 WeakPolarHBondContact O-CB 3.35Å; L135-F139 PolarHBondContact O-N 3.41Å
136Y98.1Very high97.5Very high64 Ų6461 Ų6125%0.25129%0.286SS..Iπ-helixtrans-52.9-55.3174.4-176.1-108.3000111.5H129 H130 V132 W134 T138 H140 K141H129-Y136 VanDerWaalsContact O-CA 3.24Å; H129-Y136 WeakPolarHBondContact O-CA 3.38Å; H129-Y136 WeakPolarHBondContact O-CB 3.35Å; H129-Y136 PolarHBondContact O-N 3.06Å; H130-Y136 AromaticContact CE1-CE2 3.82Å; H130-Y136 AromaticContact ND1-CD2 3.86Å; H130-Y136 AromaticContact ND1-CE2 3.86Å; V132-Y136 PolarHBondContact O-N 3.11Å; W134-Y136 VanDerWaalsContact C-N 3.34Å; W134-Y136 PolarHBondContact O-N 3.48Å; Y136-T138 VanDerWaalsContact C-N 3.3Å; Y136-T138 PolarHBondContact O-N 3.14Å; Y136-H140 HydrophobicContact CD2-CB 4.41Å; Y136-H140 CarbonylContact O-C 3.22Å; Y136-H140 PolarHBondContact O-N 3.14Å; Y136-H140 VanDerWaalsContact O-N 3.1Å; Y136-K141 HydrophobicContact CD1-CB 4.11Å; Y136-K141 HydrophobicContact CE1-CB 3.84Å; Y136-K141 HydrophobicContact CE1-CD 4.29Å; Y136-K141 HydrophobicContact CE1-CG 3.87Å; Y136-K141 VanDerWaalsContact O-CB 3.29Å; Y136-K141 WeakPolarHBondContact O-CB 3.46Å; Y136-K141 PolarHBondContact O-N 3.13Å
137R97.7Very high97.3Very high185 Ų18563.9 Ų63.970%0.69831%0.305SS*.Iπ-helixtrans-65-34.1-173.4-70.8170.6-173.5-179.12.5112.9P133 W134 L135P133-R137 WeakPolarHBondContact O-CD 3.38Å; P133-R137 VanDerWaalsContact O-CG 3.22Å; P133-R137 WeakPolarHBondContact O-CG 3.31Å; P133-R137 PolarHBondContact O-N 3.24Å; P133-R137 VanDerWaalsContact O-N 3.15Å; W134-R137 PolarHBondContact O-N 3.34Å; L135-R137 PolarHBondContact O-N 3.47Å
138T97.1Very high97.1Very high53 Ų5363.8 Ų63.833%0.32531%0.308SS..Iπ-helixtrans-90.3-37-173-63.60000113.2W134 L135 Y136W134-T138 HydrophobicContact CZ2-CG2 4.45Å; W134-T138 WeakPolarHBondContact O-CB 3.37Å; W134-T138 PolarHBondContact O-N 2.92Å; W134-T138 PolarHBondContact O-OG1 3.06Å; L135-T138 PolarHBondContact O-N 3.31Å; Y136-T138 VanDerWaalsContact C-N 3.3Å; Y136-T138 PolarHBondContact O-N 3.14Å
139F97.7Very high96.9Very high26 Ų2660.6 Ų60.611%0.11429%0.291CS..Iπ-helixtrans-102.8-52.1-174.2-70.7-108.2000111.5W125 H129 W134 L135 W160 E161W125-F139 HydrophobicContact CH2-CE1 4.36Å; W125-F139 HydrophobicContact CH2-CZ 4.39Å; W125-F139 AromaticContact CZ2-CD1 3.65Å; W125-F139 HydrophobicContact CZ2-CD1 3.65Å; W125-F139 AromaticContact CZ2-CE1 3.5Å; W125-F139 HydrophobicContact CZ2-CE1 3.5Å; W125-F139 HydrophobicContact CZ2-CE2 4.43Å; W125-F139 HydrophobicContact CZ2-CG 4.19Å; W125-F139 AromaticContact CZ2-CZ 3.95Å; W125-F139 HydrophobicContact CZ2-CZ 3.95Å; H129-F139 WeakPolarHBondContact NE2-CB 3.4Å; H129-F139 AromaticContact NE2-CD1 3.77Å; H129-F139 AromaticContact NE2-CG 3.58Å; W134-F139 HydrophobicContact CH2-CE2 4.07Å; W134-F139 HydrophobicContact CZ3-CE2 4.25Å; L135-F139 HydrophobicContact CD2-CD2 4.01Å; L135-F139 HydrophobicContact CD2-CE2 3.93Å; L135-F139 WeakPolarHBondContact O-CB 3.35Å; L135-F139 PolarHBondContact O-N 3.41Å; F139-W160 VanDerWaalsContact CD1-C 3.49Å; F139-W160 HydrophobicContact CD1-CB 3.41Å; F139-W160 VanDerWaalsContact CD1-CB 3.41Å; F139-W160 HydrophobicContact CD2-CB 4.42Å; F139-W160 HydrophobicContact CE1-CB 3.33Å; F139-W160 HydrophobicContact CE1-CG 4.31Å; F139-W160 HydrophobicContact CE2-CB 4.34Å; F139-W160 HydrophobicContact CG-CB 3.98Å; F139-W160 HydrophobicContact CZ-CB 3.81Å; F139-W160 HydrophobicContact CZ-CG 4.36Å; F139-E161 HydrophobicContact CB-CB 4.36Å; F139-E161 WeakPolarHBondContact O-CB 3.48Å
140H97.5Very high96.8Very high3 Ų360.7 Ų60.71%0.01429%0.292CS..Iπ-helixtrans-109.1-18-157.7-161.858.2000115.4H126 H129 H130 Y136 L142 H143 H144 E161 H225H126-H140 AromaticContact CD2-CE1 3.55Å; H126-H140 AromaticContact CD2-NE2 3.34Å; H126-H140 PolarHBondContact CD2-NE2 3.46Å; H126-H140 VanDerWaalsContact CD2-NE2 3.34Å; H126-H140 AromaticContact NE2-CD2 3.98Å; H126-H140 AromaticContact NE2-CE1 3.38Å; H126-H140 PolarHBondContact NE2-CE1 3.32Å; H126-H140 AromaticContact NE2-NE2 2.97Å; H126-H140 PolarHBondContact NE2-NE2 2.99Å; H129-H140 HydrophobicContact CB-CB 3.82Å; H129-H140 AromaticContact ND1-CG 3.7Å; H129-H140 AromaticContact ND1-ND1 3.78Å; H130-H140 AromaticContact CD2-CD2 3.87Å; H130-H140 AromaticContact CD2-NE2 3.96Å; H130-H140 AromaticContact CE1-CD2 3.43Å; H130-H140 PolarHBondContact CE1-CD2 3.34Å; H130-H140 VanDerWaalsContact CE1-CD2 3.43Å; H130-H140 AromaticContact CE1-NE2 3.67Å; H130-H140 AromaticContact NE2-CD2 3.05Å; H130-H140 PolarHBondContact NE2-CD2 3.07Å; H130-H140 AromaticContact NE2-NE2 2.98Å; H130-H140 PolarHBondContact NE2-NE2 2.95Å; Y136-H140 HydrophobicContact CD2-CB 4.41Å; Y136-H140 CarbonylContact O-C 3.22Å; Y136-H140 PolarHBondContact O-N 3.14Å; Y136-H140 VanDerWaalsContact O-N 3.1Å; H140-L142 PolarHBondContact O-N 3.49Å; H140-H143 AromaticContact CE1-CD2 3.39Å; H140-H143 PolarHBondContact CE1-CD2 3.4Å; H140-H143 AromaticContact ND1-CD2 3.92Å; H140-H143 VanDerWaalsContact O-CB 3.29Å; H140-H143 WeakPolarHBondContact O-CB 3.4Å; H140-H143 PolarHBondContact O-N 2.93Å; H140-H144 AromaticContact CD2-CD2 3.2Å; H140-H144 PolarHBondContact CD2-CD2 2.9Å; H140-H144 AromaticContact CD2-NE2 3.36Å; H140-H144 PolarHBondContact CD2-NE2 3.09Å; H140-H144 AromaticContact CE1-CD2 3.83Å; H140-H144 AromaticContact CE1-NE2 3.73Å; H140-H144 AromaticContact NE2-CD2 3.07Å; H140-H144 PolarHBondContact NE2-CD2 2.75Å; H140-H144 AromaticContact NE2-NE2 2.8Å; H140-H144 PolarHBondContact NE2-NE2 3.25Å; H140-H144 PolarHBondContact O-N 2.97Å; H140-E161 WeakPolarHBondContact CA-OE2 3.29Å; H140-E161 IonicContact CE1-OE1 3.71Å; H140-E161 PolarHBondContact CE1-OE1 3.38Å; H140-E161 IonicContact CG-OE1 3.57Å; H140-E161 VanDerWaalsContact ND1-CD 3.32Å; H140-E161 IonicContact ND1-OE1 3.23Å; H140-E161 PolarHBondContact ND1-OE1 3.08Å; H140-E161 IonicContact ND1-OE2 2.81Å; H140-E161 PolarHBondContact ND1-OE2 3.48Å; H140-H225 AromaticContact NE2-NE2 3.74Å
141K97.6Very high96.8Very high122 Ų12259 Ų5953%0.5328%0.284SS..THydrogen-bonded Turntrans-59.9-35.3-178.3-178.9-179.4176.5-170.80112.1Y136 H143 H144Y136-K141 HydrophobicContact CD1-CB 4.11Å; Y136-K141 HydrophobicContact CE1-CB 3.84Å; Y136-K141 HydrophobicContact CE1-CD 4.29Å; Y136-K141 HydrophobicContact CE1-CG 3.87Å; Y136-K141 VanDerWaalsContact O-CB 3.29Å; Y136-K141 WeakPolarHBondContact O-CB 3.46Å; Y136-K141 PolarHBondContact O-N 3.13Å; K141-H143 VanDerWaalsContact C-N 3.31Å; K141-H144 PolarHBondContact O-N 3.34Å
142L97.8Very high96.8Very high62 Ų6252.9 Ų52.933%0.32526%0.258SS..THydrogen-bonded Turntrans-65.7-37.7176.8-174.762.1000111.2L73 H140 H144 T145 Y156L73-L142 HydrophobicContact CD2-CD2 3.69Å; L73-L142 HydrophobicContact CD2-CG 4.4Å; H140-L142 PolarHBondContact O-N 3.49Å; L142-H144 VanDerWaalsContact C-N 3.35Å; L142-H144 PolarHBondContact O-N 3.26Å; L142-T145 WeakPolarHBondContact O-CB 3.26Å; L142-T145 PolarHBondContact O-N 3.5Å; L142-T145 VanDerWaalsContact O-N 3.13Å; L142-T145 PolarHBondContact O-OG1 2.87Å; L142-Y156 HydrophobicContact CD1-CE1 3.79Å; L142-Y156 HydrophobicContact CG-CD1 4.49Å; L142-Y156 HydrophobicContact CG-CE1 4.15Å
143H97.8Very high96.7Very high13 Ų1350.2 Ų50.26%0.0624%0.241CC..G310 helixtrans-62.4-40.5176.1-175.870.5000112.7H140 K141 T145 Y156 E161 H198 H222 H226H140-H143 AromaticContact CE1-CD2 3.39Å; H140-H143 PolarHBondContact CE1-CD2 3.4Å; H140-H143 AromaticContact ND1-CD2 3.92Å; H140-H143 VanDerWaalsContact O-CB 3.29Å; H140-H143 WeakPolarHBondContact O-CB 3.4Å; H140-H143 PolarHBondContact O-N 2.93Å; K141-H143 VanDerWaalsContact C-N 3.31Å; H143-T145 PolarHBondContact O-N 3.49Å; H143-T145 VanDerWaalsContact O-N 3.14Å; H143-Y156 VanDerWaalsContact CA-O 3.3Å; H143-Y156 WeakPolarHBondContact CA-O 3.49Å; H143-E161 WeakPolarHBondContact CB-OE2 3.38Å; H143-E161 IonicContact CG-OE2 3.97Å; H143-H198 AromaticContact CE1-CD2 3.91Å; H143-H198 AromaticContact CE1-NE2 3.06Å; H143-H198 PolarHBondContact CE1-NE2 2.86Å; H143-H198 AromaticContact NE2-NE2 3.31Å; H143-H198 PolarHBondContact NE2-NE2 3.37Å; H143-H222 AromaticContact NE2-NE2 3.75Å; H143-H226 AromaticContact CD2-CE1 3.51Å; H143-H226 AromaticContact CD2-NE2 3.83Å; H143-H226 AromaticContact NE2-CE1 3.33Å; H143-H226 PolarHBondContact NE2-CE1 2.79Å; H143-H226 VanDerWaalsContact NE2-CE1 3.33Å; H143-H226 AromaticContact NE2-NE2 3.24Å; H143-H226 PolarHBondContact NE2-NE2 3.32Å
144H97.3Very high96.7Very high19 Ų1946.5 Ų46.59%0.08822%0.218CC..G310 helixtrans-75.811.1174.3-81.5-96.4000114.8H130 H140 K141 L142 Y146 H225 S229H130-H144 AromaticContact CE1-CD2 3.99Å; H130-H144 AromaticContact CE1-CE1 3.81Å; H130-H144 AromaticContact CE1-NE2 3.45Å; H130-H144 PolarHBondContact CE1-NE2 3.42Å; H130-H144 AromaticContact NE2-NE2 3.55Å; H140-H144 AromaticContact CD2-CD2 3.2Å; H140-H144 PolarHBondContact CD2-CD2 2.9Å; H140-H144 AromaticContact CD2-NE2 3.36Å; H140-H144 PolarHBondContact CD2-NE2 3.09Å; H140-H144 AromaticContact CE1-CD2 3.83Å; H140-H144 AromaticContact CE1-NE2 3.73Å; H140-H144 AromaticContact NE2-CD2 3.07Å; H140-H144 PolarHBondContact NE2-CD2 2.75Å; H140-H144 AromaticContact NE2-NE2 2.8Å; H140-H144 PolarHBondContact NE2-NE2 3.25Å; H140-H144 PolarHBondContact O-N 2.97Å; K141-H144 PolarHBondContact O-N 3.34Å; L142-H144 VanDerWaalsContact C-N 3.35Å; L142-H144 PolarHBondContact O-N 3.26Å; H144-Y146 PolarHBondContact O-N 2.93Å; H144-H225 AromaticContact CE1-CD2 3.43Å; H144-H225 PolarHBondContact CE1-CD2 2.8Å; H144-H225 VanDerWaalsContact CE1-CD2 3.43Å; H144-H225 AromaticContact CE1-NE2 3.06Å; H144-H225 PolarHBondContact CE1-NE2 2.87Å; H144-H225 AromaticContact NE2-CD2 3.58Å; H144-H225 AromaticContact NE2-NE2 2.95Å; H144-H225 PolarHBondContact NE2-NE2 3.08Å; H144-S229 PolarHBondContact ND1-OG 3.45Å
145T96.2Very high96.7Very high70 Ų7040.4 Ų40.443%0.42920%0.197SC..G310 helixtrans-60.8-35.8177.2-62.40000111.5L142 H143 Y156L142-T145 WeakPolarHBondContact O-CB 3.26Å; L142-T145 PolarHBondContact O-N 3.5Å; L142-T145 VanDerWaalsContact O-N 3.13Å; L142-T145 PolarHBondContact O-OG1 2.87Å; H143-T145 PolarHBondContact O-N 3.49Å; H143-T145 VanDerWaalsContact O-N 3.14Å; T145-Y156 HydrophobicContact CG2-CE1 4.05Å
146Y93.8Very high96.6Very high47 Ų4741.2 Ų41.218%0.18420%0.199CC..  trans-108.7105.7-179.5-58.1-67.8000110.6T66 H144 S148 T153 Y156 H226T66-Y146 HydrophobicContact CG2-CD1 4.15Å; T66-Y146 HydrophobicContact CG2-CE1 3.6Å; T66-Y146 HydrophobicContact CG2-CE2 4.18Å; H144-Y146 PolarHBondContact O-N 2.93Å; Y146-S148 PolarHBondContact O-N 3.43Å; Y146-T153 HydrophobicContact CD2-CG2 3.5Å; Y146-T153 HydrophobicContact CE2-CG2 4.22Å; Y146-T153 HydrophobicContact CG-CG2 3.96Å; Y146-Y156 AromaticContact CD2-CD1 3.71Å; Y146-Y156 HydrophobicContact CD2-CD1 3.71Å; Y146-Y156 HydrophobicContact CD2-CE1 4.06Å; Y146-Y156 HydrophobicContact CD2-CG 4.21Å; Y146-Y156 AromaticContact CE2-CD1 3.41Å; Y146-Y156 HydrophobicContact CE2-CD1 3.41Å; Y146-Y156 VanDerWaalsContact CE2-CD1 3.41Å; Y146-Y156 HydrophobicContact CE2-CD2 4.16Å; Y146-Y156 AromaticContact CE2-CE1 3.44Å; Y146-Y156 HydrophobicContact CE2-CE1 3.44Å; Y146-Y156 VanDerWaalsContact CE2-CE1 3.44Å; Y146-Y156 HydrophobicContact CE2-CE2 4.17Å; Y146-Y156 AromaticContact CE2-CG 3.76Å; Y146-Y156 HydrophobicContact CE2-CG 3.76Å; Y146-Y156 AromaticContact CE2-CZ 3.81Å; Y146-H226 PolarHBondContact O-ND1 3.11Å
147T93.7Very high96.6Very high77 Ų7738.5 Ų38.547%0.47219%0.189SC..SBendtrans-64.3-29.5175.3-50.80000112.8Q57 H226 I227Q57-T147 PolarHBondContact NE2-O 3.27Å; T147-H226 WeakPolarHBondContact O-CB 3.23Å; T147-I227 HydrophobicContact CG2-CG1 4.14Å
148S93.4Very high96.5Very high33 Ų3330.2 Ų30.223%0.23116%0.162CC..SBendtrans-92.2121.1168.6-179.80000109.3S60 Y146S60-S148 WeakPolarHBondContact CB-OG 3.42Å; S60-S148 WeakPolarHBondContact OG-CB 3.11Å; S60-S148 PolarHBondContact OG-OG 3.37Å; Y146-S148 PolarHBondContact O-N 3.43Å
149T95.3Very high96.5Very high4 Ų429.2 Ų29.23%0.02516%0.155CC..  trans-76.6155.6177.669.60000111.2H198 H226T149-H198 CarbonylContact C-O 3.41Å; T149-H198 WeakPolarHBondContact CB-O 3.21Å; T149-H198 PolarHBondContact OG1-O 2.91Å; T149-H226 HydrophobicContact CG2-CB 4.01Å; T149-H226 WeakPolarHBondContact CG2-CD2 3.22Å
150S95.9Very high96.5Very high3 Ų335 Ų352%0.02118%0.176CC..  trans-146.8165.3163.463.40000111I62 L152 T153 H198I62-S150 WeakPolarHBondContact CD1-OG 3.49Å; S150-L152 PolarHBondContact O-N 2.86Å; S150-T153 PolarHBondContact N-OG1 3.06Å; S150-T153 PolarHBondContact O-N 3.41Å; S150-T153 PolarHBondContact O-OG1 2.81Å; S150-T153 WeakPolarHBondContact OG-CG2 3.41Å; S150-T153 PolarHBondContact OG-N 3.43Å; S150-H198 CarbonylContact C-O 3.56Å; S150-H198 WeakPolarHBondContact CA-O 3.45Å; S150-H198 PolarHBondContact N-O 2.89Å; S150-H198 VanDerWaalsContact O-CB 3.29Å; S150-H198 WeakPolarHBondContact O-CB 3.35Å
151A97.3Very high96.5Very high0 Ų035.3 Ų35.30%018%0.178CC..G310 helixtrans-51.4-37.1177.100000112.9C35 F38 T153 A154 V195 H198C35-A151 HydrophobicContact CB-CB 4.22Å; C35-A151 PolarHBondContact SG-O 2.74Å; F38-A151 HydrophobicContact CB-CB 3.64Å; F38-A151 HydrophobicContact CD2-CB 3.96Å; F38-A151 HydrophobicContact CG-CB 4.14Å; A151-T153 PolarHBondContact O-N 2.97Å; A151-A154 VanDerWaalsContact O-CB 3.31Å; A151-A154 WeakPolarHBondContact O-CB 3.4Å; A151-A154 PolarHBondContact O-N 3.25Å; A151-V195 HydrophobicContact CB-CG1 3.9Å; A151-H198 PolarHBondContact N-O 2.89Å
152L97.1Very high96.5Very high2 Ų230.7 Ų30.71%0.0116%0.16CC..G310 helixtrans-72.2-24.7177.7-71.5-178.9000114.5Y31 C35 L39 A67 C70 L71 S150 A154Y31-L152 WeakPolarHBondContact OH-CA 3.42Å; Y31-L152 PolarHBondContact OH-O 2.8Å; Y31-L152 VanDerWaalsContact OH-O 3.11Å; C35-L152 HydrophobicContact CB-CD2 4.29Å; L39-L152 HydrophobicContact CD1-CD1 4.29Å; L39-L152 HydrophobicContact CD1-CD2 4.23Å; L39-L152 HydrophobicContact CD1-CG 4.26Å; L39-L152 HydrophobicContact CD2-CD1 3.71Å; L39-L152 HydrophobicContact CD2-CG 3.86Å; L39-L152 HydrophobicContact CG-CG 4.41Å; A67-L152 HydrophobicContact CB-CD1 3.69Å; C70-L152 HydrophobicContact CB-CB 3.79Å; L71-L152 HydrophobicContact CD2-CD2 3.8Å; L71-L152 HydrophobicContact CG-CD2 4.27Å; S150-L152 PolarHBondContact O-N 2.86Å; L152-A154 PolarHBondContact O-N 3.25Å
153T96.4Very high96.5Very high2 Ų230 Ų301%0.01216%0.156CC..G310 helixtrans-77.8-11178.759.10000112.4Y146 S150 A151 E155 Y156Y146-T153 HydrophobicContact CD2-CG2 3.5Å; Y146-T153 HydrophobicContact CE2-CG2 4.22Å; Y146-T153 HydrophobicContact CG-CG2 3.96Å; S150-T153 PolarHBondContact N-OG1 3.06Å; S150-T153 PolarHBondContact O-N 3.41Å; S150-T153 PolarHBondContact O-OG1 2.81Å; S150-T153 WeakPolarHBondContact OG-CG2 3.41Å; S150-T153 PolarHBondContact OG-N 3.43Å; A151-T153 PolarHBondContact O-N 2.97Å; T153-E155 PolarHBondContact O-N 3.24Å; T153-Y156 PolarHBondContact O-N 3.45Å; T153-Y156 VanDerWaalsContact O-N 3.09Å
154A97.2Very high96.5Very high9 Ų930.1 Ų30.17%0.07416%0.158CC..G310 helixtrans-54-39174.900000112.2Y31 A151 L152 H198Y31-A154 HydrophobicContact CE2-CB 4.23Å; A151-A154 VanDerWaalsContact O-CB 3.31Å; A151-A154 WeakPolarHBondContact O-CB 3.4Å; A151-A154 PolarHBondContact O-N 3.25Å; L152-A154 PolarHBondContact O-N 3.25Å; A154-H198 HydrophobicContact CB-CB 3.88Å
155E97.2Very high96.5Very high38 Ų3831.5 Ų31.518%0.17817%0.166CC..G310 helixtrans-105.88.5177.2-66.3-167.5174.100114Y31 T74 H78 T153 S157Y31-E155 HydrophobicContact CD1-CG 4.48Å; Y31-E155 WeakPolarHBondContact CD1-OE2 3.22Å; Y31-E155 HydrophobicContact CD2-CG 3.91Å; Y31-E155 HydrophobicContact CE1-CB 4.29Å; Y31-E155 HydrophobicContact CE1-CG 4.18Å; Y31-E155 HydrophobicContact CE2-CB 4.17Å; Y31-E155 HydrophobicContact CE2-CG 3.58Å; Y31-E155 HydrophobicContact CG-CG 4.34Å; T74-E155 HydrophobicContact CG2-CB 4.36Å; T74-E155 WeakPolarHBondContact CG2-OE2 3.47Å; H78-E155 IonicContact CE1-OE2 3.14Å; H78-E155 PolarHBondContact CE1-OE2 2.95Å; H78-E155 IonicContact ND1-OE2 3.88Å; T153-E155 PolarHBondContact O-N 3.24Å; E155-S157 PolarHBondContact O-N 3.37Å
156Y97.6Very high96.6Very high33 Ų3329.9 Ų29.913%0.12916%0.164CC..  trans-75.366.7170-164.9-102.8000110.4C70 L73 L142 H143 T145 Y146 T153C70-Y156 HydrophobicContact CB-CD2 4.34Å; L73-Y156 HydrophobicContact CB-CD2 4.11Å; L73-Y156 HydrophobicContact CB-CE2 4.13Å; L73-Y156 HydrophobicContact CD2-CD2 3.52Å; L73-Y156 HydrophobicContact CD2-CE2 3.63Å; L73-Y156 HydrophobicContact CD2-CG 4.08Å; L73-Y156 HydrophobicContact CG-CD2 4.43Å; L142-Y156 HydrophobicContact CD1-CE1 3.79Å; L142-Y156 HydrophobicContact CG-CD1 4.49Å; L142-Y156 HydrophobicContact CG-CE1 4.15Å; H143-Y156 VanDerWaalsContact CA-O 3.3Å; H143-Y156 WeakPolarHBondContact CA-O 3.49Å; T145-Y156 HydrophobicContact CG2-CE1 4.05Å; Y146-Y156 AromaticContact CD2-CD1 3.71Å; Y146-Y156 HydrophobicContact CD2-CD1 3.71Å; Y146-Y156 HydrophobicContact CD2-CE1 4.06Å; Y146-Y156 HydrophobicContact CD2-CG 4.21Å; Y146-Y156 AromaticContact CE2-CD1 3.41Å; Y146-Y156 HydrophobicContact CE2-CD1 3.41Å; Y146-Y156 VanDerWaalsContact CE2-CD1 3.41Å; Y146-Y156 HydrophobicContact CE2-CD2 4.16Å; Y146-Y156 AromaticContact CE2-CE1 3.44Å; Y146-Y156 HydrophobicContact CE2-CE1 3.44Å; Y146-Y156 VanDerWaalsContact CE2-CE1 3.44Å; Y146-Y156 HydrophobicContact CE2-CE2 4.17Å; Y146-Y156 AromaticContact CE2-CG 3.76Å; Y146-Y156 HydrophobicContact CE2-CG 3.76Å; Y146-Y156 AromaticContact CE2-CZ 3.81Å; T153-Y156 PolarHBondContact O-N 3.45Å; T153-Y156 VanDerWaalsContact O-N 3.09Å
157S96.9Very high96.8Very high8 Ų833 Ų336%0.05618%0.183CC..  trans-126.2154.1-175.159.70000111.1N77 E155 T162N77-S157 PolarHBondContact ND2-O 3.36Å; E155-S157 PolarHBondContact O-N 3.37Å; S157-T162 PolarHBondContact OG-OG1 3.36Å
158G96.8Very high97Very high11 Ų1131.3 Ų31.311%0.11317%0.169CC..  trans-69.1152.1175.200000110.7W160 E161 T162G158-W160 PolarHBondContact O-N 3.08Å; G158-W160 VanDerWaalsContact O-N 3.07Å; G158-E161 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-N 3.47Å; G158-T162 PolarHBondContact O-OG1 3.25Å; G158-T162 VanDerWaalsContact O-OG1 3.11Å
159V96.8Very high97.2Very high31 Ų3130 Ų3019%0.18816%0.16CC..Hα-helixtrans-48-42.7-179.8610000112.9F81 E161 T162 L163F81-V159 HydrophobicContact CB-CG2 4.02Å; F81-V159 HydrophobicContact CD1-CG2 3.55Å; F81-V159 HydrophobicContact CD2-CB 4.2Å; F81-V159 HydrophobicContact CD2-CG2 3.44Å; F81-V159 VanDerWaalsContact CD2-CG2 3.44Å; F81-V159 HydrophobicContact CE1-CG2 3.77Å; F81-V159 HydrophobicContact CE2-CB 4.07Å; F81-V159 HydrophobicContact CE2-CG2 3.66Å; F81-V159 HydrophobicContact CG-CG2 3.38Å; F81-V159 HydrophobicContact CZ-CB 4.33Å; F81-V159 HydrophobicContact CZ-CG2 3.82Å; V159-E161 PolarHBondContact O-N 3.15Å; V159-T162 PolarHBondContact O-N 3.3Å; V159-L163 HydrophobicContact CG2-CD1 3.83Å; V159-L163 HydrophobicContact CG2-CG 4.06Å; V159-L163 WeakPolarHBondContact O-CB 3.49Å; V159-L163 WeakPolarHBondContact O-CG 3.41Å; V159-L163 PolarHBondContact O-N 3.21Å
160W97.3Very high97.2Very high147 Ų14732 Ų3256%0.55718%0.177SC*.Hα-helixtrans-68.5-37-176.1-61119.1000112.8F139 G158 S164F139-W160 VanDerWaalsContact CD1-C 3.49Å; F139-W160 HydrophobicContact CD1-CB 3.41Å; F139-W160 VanDerWaalsContact CD1-CB 3.41Å; F139-W160 HydrophobicContact CD2-CB 4.42Å; F139-W160 HydrophobicContact CE1-CB 3.33Å; F139-W160 HydrophobicContact CE1-CG 4.31Å; F139-W160 HydrophobicContact CE2-CB 4.34Å; F139-W160 HydrophobicContact CG-CB 3.98Å; F139-W160 HydrophobicContact CZ-CB 3.81Å; F139-W160 HydrophobicContact CZ-CG 4.36Å; G158-W160 PolarHBondContact O-N 3.08Å; G158-W160 VanDerWaalsContact O-N 3.07Å; W160-S164 WeakPolarHBondContact O-CB 3.36Å; W160-S164 PolarHBondContact O-N 2.96Å; W160-S164 PolarHBondContact O-OG 3.35Å
161E97.8Very high97.3Very high11 Ų1133.1 Ų33.15%0.05119%0.186CC..Hα-helixtrans-67.9-49.7173.4175.4155.8-127.800110.6H129 F139 H140 H143 G158 V159 L163 S164 L165H129-E161 IonicContact CE1-OE1 3.58Å; H129-E161 IonicContact ND1-OE1 3.42Å; F139-E161 HydrophobicContact CB-CB 4.36Å; F139-E161 WeakPolarHBondContact O-CB 3.48Å; H140-E161 WeakPolarHBondContact CA-OE2 3.29Å; H140-E161 IonicContact CE1-OE1 3.71Å; H140-E161 PolarHBondContact CE1-OE1 3.38Å; H140-E161 IonicContact CG-OE1 3.57Å; H140-E161 VanDerWaalsContact ND1-CD 3.32Å; H140-E161 IonicContact ND1-OE1 3.23Å; H140-E161 PolarHBondContact ND1-OE1 3.08Å; H140-E161 IonicContact ND1-OE2 2.81Å; H140-E161 PolarHBondContact ND1-OE2 3.48Å; H143-E161 WeakPolarHBondContact CB-OE2 3.38Å; H143-E161 IonicContact CG-OE2 3.97Å; G158-E161 PolarHBondContact O-N 2.98Å; V159-E161 PolarHBondContact O-N 3.15Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.4Å; E161-S164 WeakPolarHBondContact CA-OG 3.4Å; E161-S164 PolarHBondContact O-N 3.18Å; E161-S164 VanDerWaalsContact O-N 3.13Å; E161-S164 PolarHBondContact O-OG 3.27Å; E161-L165 HydrophobicContact CG-CD1 3.96Å; E161-L165 HydrophobicContact CG-CG 4.42Å; E161-L165 WeakPolarHBondContact O-CG 3.41Å; E161-L165 PolarHBondContact O-N 3.09Å
162T97.5Very high97.4Very high25 Ų2533.1 Ų33.115%0.15319%0.186CC..Hα-helixtrans-54.1-45.9176.9-48.30000111.7N77 I82 S157 G158 V159 G166N77-T162 PolarHBondContact ND2-OG1 3.34Å; I82-T162 HydrophobicContact CD1-CG2 3.83Å; I82-T162 HydrophobicContact CG1-CG2 4.42Å; S157-T162 PolarHBondContact OG-OG1 3.36Å; G158-T162 PolarHBondContact O-N 3.47Å; G158-T162 PolarHBondContact O-OG1 3.25Å; G158-T162 VanDerWaalsContact O-OG1 3.11Å; V159-T162 PolarHBondContact O-N 3.3Å; T162-G166 PolarHBondContact O-N 2.95Å
163L97.6Very high97.4Very high46 Ų4633.1 Ų33.124%0.24119%0.187CC..Hα-helixtrans-68.4-39179.5-69.7-175.6000112.6F81 L85 V159 E161 L167F81-L163 HydrophobicContact CB-CD2 4.17Å; L85-L163 HydrophobicContact CD1-CD1 4.33Å; L85-L163 HydrophobicContact CD1-CD2 3.31Å; L85-L163 HydrophobicContact CD1-CG 4.41Å; V159-L163 HydrophobicContact CG2-CD1 3.83Å; V159-L163 HydrophobicContact CG2-CG 4.06Å; V159-L163 WeakPolarHBondContact O-CB 3.49Å; V159-L163 WeakPolarHBondContact O-CG 3.41Å; V159-L163 PolarHBondContact O-N 3.21Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.4Å; L163-L167 VanDerWaalsContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CB 3.29Å; L163-L167 PolarHBondContact O-N 3.15Å
164S97.9Very high97.3Very high16 Ų1637.5 Ų37.511%0.11221%0.209CC..Hα-helixtrans-65.1-45.2177.363.40000112.3W125 W160 E161 L167 F168W125-S164 PolarHBondContact NE1-OG 2.91Å; W160-S164 WeakPolarHBondContact O-CB 3.36Å; W160-S164 PolarHBondContact O-N 2.96Å; W160-S164 PolarHBondContact O-OG 3.35Å; E161-S164 WeakPolarHBondContact CA-OG 3.4Å; E161-S164 PolarHBondContact O-N 3.18Å; E161-S164 VanDerWaalsContact O-N 3.13Å; E161-S164 PolarHBondContact O-OG 3.27Å; S164-L167 WeakPolarHBondContact O-CB 3.43Å; S164-L167 PolarHBondContact O-N 3.09Å; S164-F168 WeakPolarHBondContact O-CD2 3.41Å; S164-F168 VanDerWaalsContact O-CG 3.29Å; S164-F168 WeakPolarHBondContact O-CG 3.4Å; S164-F168 PolarHBondContact O-N 3.28Å; S164-F168 VanDerWaalsContact O-N 3.09Å
165L97.9Very high97.3Very high48 Ų4843.2 Ų43.225%0.25124%0.238SC..Hα-helixtrans-68.3-40.9176.9-63.6177.4000111.3F118 E161 L167 F168 A169F118-L165 WeakPolarHBondContact CE2-O 3.24Å; F118-L165 HydrophobicContact CZ-CD2 4.28Å; E161-L165 HydrophobicContact CG-CD1 3.96Å; E161-L165 HydrophobicContact CG-CG 4.42Å; E161-L165 WeakPolarHBondContact O-CG 3.41Å; E161-L165 PolarHBondContact O-N 3.09Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L165-L167 PolarHBondContact O-N 3.35Å; L165-F168 HydrophobicContact CD2-CD2 4.31Å; L165-F168 PolarHBondContact O-N 2.91Å; L165-A169 PolarHBondContact O-N 3.34Å
166G97.4Very high97.4Very high37 Ų3744.5 Ų44.538%0.38125%0.246SC..Hα-helixtrans-60-40173.800000112.6T162 A169 A170T162-G166 PolarHBondContact O-N 2.95Å; G166-A169 PolarHBondContact O-N 3.01Å; G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.3Å; G166-A170 PolarHBondContact O-N 3.25Å
167L97.4Very high97.3Very high112 Ų11245.7 Ų45.759%0.58627%0.269SS*.Hα-helixtrans-62.6-47174.8175.864.2000111.6L163 S164 L165 A170 A171L163-L167 VanDerWaalsContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CB 3.29Å; L163-L167 PolarHBondContact O-N 3.15Å; S164-L167 WeakPolarHBondContact O-CB 3.43Å; S164-L167 PolarHBondContact O-N 3.09Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L165-L167 PolarHBondContact O-N 3.35Å; L167-A170 PolarHBondContact O-N 2.74Å; L167-A171 WeakPolarHBondContact O-CB 2.98Å; L167-A171 PolarHBondContact O-N 2.98Å
168F98.1Very high97.4Very high42 Ų4246.3 Ų46.318%0.18427%0.272CS..Hα-helixtrans-59.8-47.1177.2-61.6-25.2000111.4F118 Q121 W125 S164 L165 A170 A171 N172F118-F168 HydrophobicContact CD2-CB 3.91Å; F118-F168 HydrophobicContact CE2-CB 4.11Å; Q121-F168 HydrophobicContact CB-CB 4.3Å; Q121-F168 HydrophobicContact CB-CD1 4.18Å; Q121-F168 HydrophobicContact CB-CD2 3.91Å; Q121-F168 HydrophobicContact CB-CE2 4.27Å; Q121-F168 HydrophobicContact CB-CG 3.87Å; Q121-F168 HydrophobicContact CG-CD1 4.5Å; W125-F168 HydrophobicContact CB-CE2 3.86Å; W125-F168 HydrophobicContact CB-CZ 4.27Å; W125-F168 AromaticContact CD1-CE2 3.88Å; W125-F168 AromaticContact CG-CE2 3.93Å; W125-F168 HydrophobicContact CG-CE2 3.93Å; W125-F168 HydrophobicContact CG-CZ 4.2Å; S164-F168 WeakPolarHBondContact O-CD2 3.41Å; S164-F168 VanDerWaalsContact O-CG 3.29Å; S164-F168 WeakPolarHBondContact O-CG 3.4Å; S164-F168 PolarHBondContact O-N 3.28Å; S164-F168 VanDerWaalsContact O-N 3.09Å; L165-F168 HydrophobicContact CD2-CD2 4.31Å; L165-F168 PolarHBondContact O-N 2.91Å; F168-A170 PolarHBondContact O-N 3.38Å; F168-A171 PolarHBondContact O-N 3.41Å; F168-N172 PolarHBondContact O-N 3.1Å; F168-N172 PolarHBondContact O-ND2 3.49Å; F168-N172 VanDerWaalsContact O-ND2 3.09Å
169A97.9Very high97.4Very high4 Ų446.8 Ų46.83%0.03327%0.272CS..Hα-helixtrans-61.7-45177.800000112.2F118 L165 G166 P173 F186 F187F118-A169 HydrophobicContact CD2-CB 4.04Å; F118-A169 HydrophobicContact CE2-CB 3.96Å; L165-A169 PolarHBondContact O-N 3.34Å; G166-A169 PolarHBondContact O-N 3.01Å; A169-P173 WeakPolarHBondContact O-CD 3.49Å; A169-F186 HydrophobicContact CB-CE1 4.2Å; A169-F186 VanDerWaalsContact O-CE1 3.3Å; A169-F186 WeakPolarHBondContact O-CE1 3.15Å; A169-F187 HydrophobicContact CB-CE1 3.97Å; A169-F187 HydrophobicContact CB-CZ 4.22Å
170A96.2Very high97.4Very high46 Ų4646.7 Ų46.738%0.3827%0.272SS..Hα-helixtrans-73.3-31.6-17900000113.5G166 L167 F168 F187G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.3Å; G166-A170 PolarHBondContact O-N 3.25Å; L167-A170 PolarHBondContact O-N 2.74Å; F168-A170 PolarHBondContact O-N 3.38Å; A170-F187 HydrophobicContact CB-CZ 4.31Å
171A97.2Very high97.5Very high27 Ų2740.5 Ų40.522%0.22325%0.249CC..Hα-helixtrans-71.3-36.5-178.100000112.7L167 F168 L174 L175L167-A171 WeakPolarHBondContact O-CB 2.98Å; L167-A171 PolarHBondContact O-N 2.98Å; F168-A171 PolarHBondContact O-N 3.41Å; A171-L174 WeakPolarHBondContact O-CB 3.46Å; A171-L174 PolarHBondContact O-N 2.76Å; A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 VanDerWaalsContact O-CG 3.26Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.96Å
172N98.3Very high97.5Very high0 Ų040 Ų400%025%0.247CC..Hα-helixtrans-64.3-48.9-172.2-64.7-26.1000113.6C114 L117 F118 Q121 F168 L174 L175 L176C114-N172 HydrophobicContact CB-CB 4.27Å; L117-N172 HydrophobicContact CB-CB 4.43Å; L117-N172 HydrophobicContact CD1-CB 4.37Å; F118-N172 PolarHBondContact N-ND2 3.48Å; Q121-N172 PolarHBondContact NE2-OD1 3.46Å; Q121-N172 PolarHBondContact OE1-ND2 3.47Å; Q121-N172 PolarHBondContact OE1-OD1 3.42Å; F168-N172 PolarHBondContact O-N 3.1Å; F168-N172 PolarHBondContact O-ND2 3.49Å; F168-N172 VanDerWaalsContact O-ND2 3.09Å; N172-L174 VanDerWaalsContact C-N 3.26Å; N172-L174 PolarHBondContact O-N 3.23Å; N172-L175 PolarHBondContact O-N 2.96Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.29Å; N172-L176 VanDerWaalsContact O-N 3.08Å
173P97.8Very high97.6Very high2 Ų242.3 Ų42.31%0.01326%0.256CS..Hα-helixtrans-60.2-37175-23.634.2000112.8A169 L176 G177 C178 E183 F186A169-P173 WeakPolarHBondContact O-CD 3.49Å; P173-L176 PolarHBondContact O-N 3.13Å; P173-G177 PolarHBondContact O-N 2.89Å; P173-G177 VanDerWaalsContact O-N 3.14Å; P173-C178 HydrophobicContact CB-CB 3.84Å; P173-C178 WeakPolarHBondContact O-CB 2.92Å; P173-C178 PolarHBondContact O-N 2.92Å; P173-E183 HydrophobicContact CB-CB 3.96Å; P173-E183 HydrophobicContact CB-CG 3.9Å; P173-E183 HydrophobicContact CG-CB 4.4Å; P173-E183 HydrophobicContact CG-CG 4.03Å; P173-F186 HydrophobicContact CG-CD1 3.66Å; P173-F186 HydrophobicContact CG-CE1 4.09Å
174L95.3Very high97.6Very high94 Ų9441.4 Ų41.449%0.49225%0.251SS..Hα-helixtrans-65.2-47.3177.7177.865.7000111.6A171 N172 L176 G177A171-L174 WeakPolarHBondContact O-CB 3.46Å; A171-L174 PolarHBondContact O-N 2.76Å; N172-L174 VanDerWaalsContact C-N 3.26Å; N172-L174 PolarHBondContact O-N 3.23Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 2.8Å; L174-G177 PolarHBondContact O-N 3.33Å
175L97.2Very high97.6Very high130 Ų13043.3 Ų43.368%0.68126%0.26SS*.Hα-helixtrans-62.7-34.4179.2-72171.3000112.3A171 N172A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 VanDerWaalsContact O-CG 3.26Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.96Å; N172-L175 PolarHBondContact O-N 2.96Å
176L97.8Very high97.7Very high64 Ų6441 Ų4134%0.33525%0.248SC..THydrogen-bonded Turntrans-88.60-179.7-64.1-179.6000113.9Q110 A113 L117 N172 P173 L174 C178Q110-L176 PolarHBondContact NE2-O 3.39Å; A113-L176 HydrophobicContact CB-CD1 3.66Å; L117-L176 HydrophobicContact CD1-CD1 4.01Å; L117-L176 HydrophobicContact CD1-CD2 4.41Å; L117-L176 HydrophobicContact CD1-CG 4.29Å; N172-L176 WeakPolarHBondContact O-CG 3.44Å; N172-L176 PolarHBondContact O-N 3.29Å; N172-L176 VanDerWaalsContact O-N 3.08Å; P173-L176 PolarHBondContact O-N 3.13Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 2.8Å; L176-C178 VanDerWaalsContact C-N 3.28Å; L176-C178 PolarHBondContact O-N 3.12Å
177G96.7Very high97.7Very high59 Ų5941.2 Ų41.261%0.60824%0.238SC*.THydrogen-bonded Turntrans58.940.5-177.400000112.3P173 L174P173-G177 PolarHBondContact O-N 2.89Å; P173-G177 VanDerWaalsContact O-N 3.14Å; L174-G177 PolarHBondContact O-N 3.33Å
178C98Very high97.8Very high20 Ų2038.5 Ų38.514%0.13522%0.223CC..  trans-64.3144.2-177.7-72.30000111.5P173 L176 T182P173-C178 HydrophobicContact CB-CB 3.84Å; P173-C178 WeakPolarHBondContact O-CB 2.92Å; P173-C178 PolarHBondContact O-N 2.92Å; L176-C178 VanDerWaalsContact C-N 3.28Å; L176-C178 PolarHBondContact O-N 3.12Å; C178-T182 HydrophobicContact CB-CG2 4.17Å
179H97.9Very high97.8Very high22 Ų2238.5 Ų38.510%0.10223%0.227CC..  trans-65.5146.2167.9-177.7-77.5000109.9W7 E100 P102 L181 T182 E183W7-H179 AromaticContact CD2-CE1 3.64Å; W7-H179 AromaticContact CE2-CE1 3.36Å; W7-H179 AromaticContact CE2-NE2 3.64Å; W7-H179 AromaticContact CE3-CE1 3.92Å; W7-H179 AromaticContact CH2-CE1 3.77Å; W7-H179 AromaticContact CZ2-CE1 3.45Å; W7-H179 VanDerWaalsContact CZ2-CE1 3.45Å; W7-H179 WeakPolarHBondContact CZ2-CE1 3.47Å; W7-H179 AromaticContact CZ2-NE2 3.78Å; W7-H179 AromaticContact CZ3-CE1 4Å; W7-H179 AromaticContact NE1-CE1 3.8Å; W7-H179 AromaticContact NE1-NE2 3.66Å; E100-H179 PolarHBondContact O-NE2 3.42Å; P102-H179 HydrophobicContact CB-CB 3.83Å; P102-H179 WeakPolarHBondContact CD-ND1 3.09Å; P102-H179 HydrophobicContact CG-CB 3.87Å; H179-L181 VanDerWaalsContact C-N 3.27Å; H179-L181 VanDerWaalsContact ND1-CB 3.32Å; H179-L181 WeakPolarHBondContact ND1-CB 3.47Å; H179-L181 PolarHBondContact ND1-N 2.98Å; H179-L181 PolarHBondContact O-N 3.26Å; H179-L181 VanDerWaalsContact O-N 3.16Å; H179-T182 WeakPolarHBondContact O-CA 3.45Å; H179-T182 WeakPolarHBondContact O-CB 3.43Å; H179-T182 PolarHBondContact O-N 3.39Å; H179-E183 PolarHBondContact O-N 2.82Å
180P97.3Very high97.9Very high28 Ų2838.9 Ų38.918%0.18223%0.228CC..Hα-helixtrans-52.6-40.6-179.6-28.333000114.3W7 L96 L97 T182 E183 M184W7-P180 HydrophobicContact CH2-CB 3.97Å; W7-P180 HydrophobicContact CH2-CG 4.36Å; W7-P180 HydrophobicContact CZ3-CB 4.47Å; L96-P180 VanDerWaalsContact O-CG 3.25Å; L96-P180 WeakPolarHBondContact O-CG 3.34Å; L97-P180 HydrophobicContact CD2-CB 4.46Å; L97-P180 HydrophobicContact CD2-CG 4.35Å; P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 3.44Å; P180-E183 WeakPolarHBondContact O-CB 3.36Å; P180-E183 PolarHBondContact O-N 2.78Å; P180-M184 WeakPolarHBondContact O-CG 3.22Å; P180-M184 PolarHBondContact O-N 3.31Å
181L98.1Very high98Very high17 Ų1737.5 Ų37.59%0.08922%0.215CC..Hα-helixtrans-58.3-38.9172.1-175.158.2000113.4L3 V6 W7 L10 P102 M107 H179 L185L3-L181 HydrophobicContact CB-CD2 4.26Å; V6-L181 HydrophobicContact CG1-CD1 4.48Å; W7-L181 HydrophobicContact CB-CD2 4.23Å; W7-L181 HydrophobicContact CE3-CB 3.93Å; W7-L181 HydrophobicContact CE3-CD2 4.46Å; W7-L181 HydrophobicContact CZ3-CB 4.2Å; L10-L181 HydrophobicContact CD1-CD1 3.72Å; P102-L181 HydrophobicContact CG-CB 4.48Å; M107-L181 HydrophobicContact SD-CG 4.43Å; H179-L181 VanDerWaalsContact C-N 3.27Å; H179-L181 VanDerWaalsContact ND1-CB 3.32Å; H179-L181 WeakPolarHBondContact ND1-CB 3.47Å; H179-L181 PolarHBondContact ND1-N 2.98Å; H179-L181 PolarHBondContact O-N 3.26Å; H179-L181 VanDerWaalsContact O-N 3.16Å; L181-L185 WeakPolarHBondContact O-CB 3.42Å; L181-L185 PolarHBondContact O-N 3.03Å
182T98.6Very high98.1Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-69.3-41.3176.8-55.70000111.1M107 Q110 V111 C178 H179 P180 L185 F186M107-T182 HydrophobicContact CG-CG2 4.03Å; Q110-T182 HydrophobicContact CB-CG2 3.64Å; V111-T182 HydrophobicContact CG2-CG2 3.98Å; C178-T182 HydrophobicContact CB-CG2 4.17Å; H179-T182 WeakPolarHBondContact O-CA 3.45Å; H179-T182 WeakPolarHBondContact O-CB 3.43Å; H179-T182 PolarHBondContact O-N 3.39Å; P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 3.44Å; T182-L185 PolarHBondContact O-N 3.27Å; T182-F186 WeakPolarHBondContact O-CB 3.29Å; T182-F186 PolarHBondContact O-N 3.11Å
183E98.3Very high98.1Very high75 Ų7539.5 Ų39.535%0.3522%0.217SC..Hα-helixtrans-59.7-51.7173176.4177.1-170.600111.2P173 H179 P180 L185 F186 F187P173-E183 HydrophobicContact CB-CB 3.96Å; P173-E183 HydrophobicContact CB-CG 3.9Å; P173-E183 HydrophobicContact CG-CB 4.4Å; P173-E183 HydrophobicContact CG-CG 4.03Å; H179-E183 PolarHBondContact O-N 2.82Å; P180-E183 WeakPolarHBondContact O-CB 3.36Å; P180-E183 PolarHBondContact O-N 2.78Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 2.63Å; E183-F186 WeakPolarHBondContact O-CB 3.41Å; E183-F186 PolarHBondContact O-N 3.01Å; E183-F186 VanDerWaalsContact O-N 3.12Å; E183-F187 HydrophobicContact CG-CD2 3.82Å; E183-F187 HydrophobicContact CG-CE2 3.79Å; E183-F187 WeakPolarHBondContact O-CD2 3.49Å; E183-F187 PolarHBondContact O-N 3.19Å
184M98.4Very high98.1Very high26 Ų2641 Ų4113%0.12823%0.228CC..Hα-helixtrans-56.2-44.5177.2-71.3174.863.500111.9L10 L17 F22 F26 P180 F187 I188L10-M184 HydrophobicContact CD1-CE 4.42Å; L17-M184 HydrophobicContact CD2-SD 4.23Å; F22-M184 HydrophobicContact CE1-SD 4.43Å; F22-M184 HydrophobicContact CZ-CE 3.84Å; F22-M184 HydrophobicContact CZ-SD 4.24Å; F26-M184 HydrophobicContact CD2-CE 4.44Å; F26-M184 HydrophobicContact CE1-CB 4.46Å; F26-M184 HydrophobicContact CE2-CE 3.87Å; F26-M184 HydrophobicContact CZ-CB 3.97Å; F26-M184 HydrophobicContact CZ-CE 4.22Å; F26-M184 HydrophobicContact CZ-CG 4.26Å; P180-M184 WeakPolarHBondContact O-CG 3.22Å; P180-M184 PolarHBondContact O-N 3.31Å; M184-F187 PolarHBondContact O-N 3.03Å; M184-I188 VanDerWaalsContact O-CG1 3.29Å; M184-I188 WeakPolarHBondContact O-CG1 3.46Å; M184-I188 PolarHBondContact O-N 3.48Å
185L98.8Very high98.3Very high57 Ų5736.6 Ų36.630%0.29821%0.205SC..Hα-helixtrans-64.9-41.8177.1-17960.7000112M107 V111 L181 T182 E183 I188 V189M107-L185 HydrophobicContact CE-CD2 3.45Å; M107-L185 VanDerWaalsContact CE-CD2 3.45Å; M107-L185 HydrophobicContact CG-CD2 4.02Å; M107-L185 HydrophobicContact SD-CD2 3.6Å; M107-L185 VanDerWaalsContact SD-CD2 3.6Å; V111-L185 HydrophobicContact CG2-CB 4.35Å; V111-L185 HydrophobicContact CG2-CD2 4.09Å; V111-L185 HydrophobicContact CG2-CG 4.14Å; L181-L185 WeakPolarHBondContact O-CB 3.42Å; L181-L185 PolarHBondContact O-N 3.03Å; T182-L185 PolarHBondContact O-N 3.27Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 2.63Å; L185-I188 PolarHBondContact O-N 2.98Å; L185-V189 HydrophobicContact CD1-CG2 4.19Å; L185-V189 HydrophobicContact CG-CG2 4.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 2.94Å
186F98.8Very high98.3Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-58.6-47.9174.6163.7-107000111.3V111 C114 L115 F118 A169 P173 T182 E183 I188 V189 N190V111-F186 HydrophobicContact CG2-CB 4.28Å; C114-F186 HydrophobicContact CB-CB 4.42Å; C114-F186 HydrophobicContact CB-CD1 4.14Å; C114-F186 HydrophobicContact CB-CD2 3.27Å; C114-F186 HydrophobicContact CB-CE1 4.27Å; C114-F186 HydrophobicContact CB-CE2 3.42Å; C114-F186 VanDerWaalsContact CB-CE2 3.42Å; C114-F186 HydrophobicContact CB-CG 3.65Å; C114-F186 HydrophobicContact CB-CZ 3.93Å; L115-F186 HydrophobicContact CD2-CD2 4.19Å; L115-F186 HydrophobicContact CD2-CE2 3.92Å; L115-F186 HydrophobicContact CG-CD2 4.15Å; L115-F186 HydrophobicContact CG-CE2 4.14Å; F118-F186 HydrophobicContact CB-CZ 4.25Å; A169-F186 HydrophobicContact CB-CE1 4.2Å; A169-F186 VanDerWaalsContact O-CE1 3.3Å; A169-F186 WeakPolarHBondContact O-CE1 3.15Å; P173-F186 HydrophobicContact CG-CD1 3.66Å; P173-F186 HydrophobicContact CG-CE1 4.09Å; T182-F186 WeakPolarHBondContact O-CB 3.29Å; T182-F186 PolarHBondContact O-N 3.11Å; E183-F186 WeakPolarHBondContact O-CB 3.41Å; E183-F186 PolarHBondContact O-N 3.01Å; E183-F186 VanDerWaalsContact O-N 3.12Å; F186-I188 PolarHBondContact O-N 3.32Å; F186-V189 PolarHBondContact O-N 3.35Å; F186-N190 HydrophobicContact CE2-CB 4.12Å; F186-N190 HydrophobicContact CZ-CB 4.21Å; F186-N190 VanDerWaalsContact O-CB 3.23Å; F186-N190 WeakPolarHBondContact O-CB 3.3Å; F186-N190 PolarHBondContact O-N 3.32Å
187F98.7Very high98.3Very high41 Ų4127.6 Ų27.618%0.1816%0.157CC..Hα-helixtrans-60-43.6176.6-88.4-84000112.1F26 A169 A170 E183 M184 V189 N190 I191F26-F187 HydrophobicContact CE1-CB 4.02Å; A169-F187 HydrophobicContact CB-CE1 3.97Å; A169-F187 HydrophobicContact CB-CZ 4.22Å; A170-F187 HydrophobicContact CB-CZ 4.31Å; E183-F187 HydrophobicContact CG-CD2 3.82Å; E183-F187 HydrophobicContact CG-CE2 3.79Å; E183-F187 WeakPolarHBondContact O-CD2 3.49Å; E183-F187 PolarHBondContact O-N 3.19Å; M184-F187 PolarHBondContact O-N 3.03Å; F187-V189 PolarHBondContact O-N 3.4Å; F187-N190 PolarHBondContact O-N 2.93Å; F187-I191 WeakPolarHBondContact O-CB 3.38Å; F187-I191 WeakPolarHBondContact O-CD1 3.23Å; F187-I191 WeakPolarHBondContact O-CG1 3.43Å; F187-I191 PolarHBondContact O-N 3.45Å
188I98.9Very high98.4Very high54 Ų5425.3 Ų25.328%0.27713%0.131SC..Hα-helixtrans-57.9-51175.6-71.1164.3000110.6F26 V30 F34 M184 L185 F186 I191 W192F26-I188 HydrophobicContact CE1-CG1 4.48Å; F26-I188 HydrophobicContact CE2-CD1 4.15Å; F26-I188 HydrophobicContact CE2-CG1 4.26Å; F26-I188 HydrophobicContact CZ-CD1 3.8Å; F26-I188 HydrophobicContact CZ-CG1 3.64Å; V30-I188 HydrophobicContact CG1-CG1 4.31Å; V30-I188 HydrophobicContact CG2-CG1 4.23Å; F34-I188 HydrophobicContact CE2-CG2 4.12Å; F34-I188 WeakPolarHBondContact CE2-O 3.21Å; F34-I188 HydrophobicContact CZ-CG2 3.8Å; M184-I188 VanDerWaalsContact O-CG1 3.29Å; M184-I188 WeakPolarHBondContact O-CG1 3.46Å; M184-I188 PolarHBondContact O-N 3.48Å; L185-I188 PolarHBondContact O-N 2.98Å; F186-I188 PolarHBondContact O-N 3.32Å; I188-I191 PolarHBondContact O-N 2.97Å; I188-W192 WeakPolarHBondContact O-CB 3.43Å; I188-W192 PolarHBondContact O-N 3.38Å
189V98.7Very high98.3Very high42 Ų4224.4 Ų24.426%0.25513%0.125SC..Hα-helixtrans-63.1-47-179.4176.60000110.4L115 L185 F186 F187 I191 W192 L193L115-V189 HydrophobicContact CD1-CG1 3.9Å; L115-V189 HydrophobicContact CD2-CG1 4.16Å; L185-V189 HydrophobicContact CD1-CG2 4.19Å; L185-V189 HydrophobicContact CG-CG2 4.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 2.94Å; F186-V189 PolarHBondContact O-N 3.35Å; F187-V189 PolarHBondContact O-N 3.4Å; V189-I191 PolarHBondContact O-N 3.16Å; V189-W192 WeakPolarHBondContact O-CB 3.3Å; V189-W192 PolarHBondContact O-N 3.38Å; V189-W192 VanDerWaalsContact O-N 3.14Å; V189-L193 HydrophobicContact CG1-CD2 4.15Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.48Å; V189-L193 PolarHBondContact O-N 3.19Å
190N98.7Very high98.3Very high13 Ų1323.6 Ų23.67%0.0712%0.122CC..Hα-helixtrans-61.1-41.7-178.8-163.877.2000112.7L115 F118 F186 F187 L193 S194 Y236L115-N190 HydrophobicContact CD2-CB 4.48Å; F118-N190 WeakPolarHBondContact CD1-OD1 3.36Å; F186-N190 HydrophobicContact CE2-CB 4.12Å; F186-N190 HydrophobicContact CZ-CB 4.21Å; F186-N190 VanDerWaalsContact O-CB 3.23Å; F186-N190 WeakPolarHBondContact O-CB 3.3Å; F186-N190 PolarHBondContact O-N 3.32Å; F187-N190 PolarHBondContact O-N 2.93Å; N190-L193 PolarHBondContact O-N 3.49Å; N190-S194 PolarHBondContact O-N 2.94Å; N190-Y236 PolarHBondContact O-OH 3.24Å; N190-Y236 WeakPolarHBondContact OD1-CE2 3.47Å; N190-Y236 PolarHBondContact OD1-OH 3.38Å; N190-Y236 VanDerWaalsContact OD1-OH 3.11Å
191I98.7Very high98.3Very high17 Ų1722.3 Ų22.39%0.08711%0.114CC..Hα-helixtrans-66.5-42.2175-65164.5000110.2V30 Y31 F34 F187 I188 V189 L193 S194 V195V30-I191 HydrophobicContact CB-CD1 4.25Å; V30-I191 HydrophobicContact CG1-CB 4.21Å; V30-I191 HydrophobicContact CG1-CD1 4.02Å; V30-I191 HydrophobicContact CG1-CG2 4.08Å; Y31-I191 HydrophobicContact CD2-CG2 4.48Å; F34-I191 HydrophobicContact CD2-CG2 4.06Å; F187-I191 WeakPolarHBondContact O-CB 3.38Å; F187-I191 WeakPolarHBondContact O-CD1 3.23Å; F187-I191 WeakPolarHBondContact O-CG1 3.43Å; F187-I191 PolarHBondContact O-N 3.45Å; I188-I191 PolarHBondContact O-N 2.97Å; V189-I191 PolarHBondContact O-N 3.16Å; I191-L193 PolarHBondContact O-N 3.45Å; I191-S194 PolarHBondContact O-N 3.11Å; I191-V195 HydrophobicContact CG2-CG2 4.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.27Å
192W98.6Very high98.2Very high56 Ų5623.1 Ų23.121%0.21212%0.118CC..Hα-helixtrans-57.2-49.9174.8172.3-95.4000111.6F34 F38 I188 V189 S194 V195 E196 W205F34-W192 HydrophobicContact CB-CE3 4.15Å; F34-W192 HydrophobicContact CB-CZ3 4.49Å; F34-W192 AromaticContact CD1-CE3 3.78Å; F34-W192 HydrophobicContact CD1-CE3 3.78Å; F34-W192 HydrophobicContact CD1-CZ3 4.21Å; F34-W192 HydrophobicContact CD2-CB 3.89Å; F34-W192 HydrophobicContact CD2-CE3 4.01Å; F34-W192 HydrophobicContact CE1-CE3 4.07Å; F34-W192 HydrophobicContact CE2-CB 3.58Å; F34-W192 HydrophobicContact CE2-CE3 4.3Å; F34-W192 AromaticContact CG-CE3 3.73Å; F34-W192 HydrophobicContact CG-CE3 3.73Å; F34-W192 HydrophobicContact CG-CZ3 4.36Å; F34-W192 HydrophobicContact CZ-CB 4.18Å; F34-W192 HydrophobicContact CZ-CE3 4.31Å; F38-W192 HydrophobicContact CE2-CH2 4.04Å; F38-W192 HydrophobicContact CE2-CZ3 4.08Å; F38-W192 AromaticContact CZ-CH2 3.82Å; F38-W192 HydrophobicContact CZ-CH2 3.82Å; F38-W192 HydrophobicContact CZ-CZ2 4.41Å; F38-W192 HydrophobicContact CZ-CZ3 4.33Å; I188-W192 WeakPolarHBondContact O-CB 3.43Å; I188-W192 PolarHBondContact O-N 3.38Å; V189-W192 WeakPolarHBondContact O-CB 3.3Å; V189-W192 PolarHBondContact O-N 3.38Å; V189-W192 VanDerWaalsContact O-N 3.14Å; W192-S194 VanDerWaalsContact C-N 3.32Å; W192-S194 PolarHBondContact O-N 2.92Å; W192-V195 PolarHBondContact O-N 3.12Å; W192-E196 HydrophobicContact CZ2-CB 4.39Å; W192-E196 HydrophobicContact CZ2-CG 4.38Å; W192-E196 PolarHBondContact NE1-OE2 2.91Å; W192-E196 WeakPolarHBondContact O-CB 3.26Å; W192-E196 PolarHBondContact O-N 2.88Å; W192-W205 HydrophobicContact CH2-CZ3 4.39Å; W192-W205 HydrophobicContact CZ2-CZ3 4.46Å
193L98.3Very high98.1Very high12 Ų1223.5 Ų23.56%0.06312%0.12CC..Hα-helixtrans-59.8-45.2-179.9-51-165.9000110.8L115 V189 N190 I191 V195 E196 D197 Y216 Y236L115-L193 HydrophobicContact CD2-CD1 3.97Å; V189-L193 HydrophobicContact CG1-CD2 4.15Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.48Å; V189-L193 PolarHBondContact O-N 3.19Å; N190-L193 PolarHBondContact O-N 3.49Å; I191-L193 PolarHBondContact O-N 3.45Å; L193-V195 PolarHBondContact O-N 2.85Å; L193-E196 PolarHBondContact O-N 3.3Å; L193-D197 WeakPolarHBondContact O-CB 3.31Å; L193-D197 PolarHBondContact O-N 3.28Å; L193-Y216 WeakPolarHBondContact CD2-OH 3.11Å; L193-Y236 HydrophobicContact CB-CD1 3.64Å; L193-Y236 HydrophobicContact CB-CE1 3.39Å; L193-Y236 HydrophobicContact CB-CE2 4.44Å; L193-Y236 HydrophobicContact CB-CG 4.31Å; L193-Y236 HydrophobicContact CD1-CD1 3.92Å; L193-Y236 HydrophobicContact CD1-CD2 3.73Å; L193-Y236 HydrophobicContact CD1-CE1 4.21Å; L193-Y236 HydrophobicContact CD1-CE2 3.99Å; L193-Y236 HydrophobicContact CD1-CG 3.69Å; L193-Y236 HydrophobicContact CG-CD1 4.43Å; L193-Y236 HydrophobicContact CG-CE1 4.4Å
194S98.3Very high97.9Very high35 Ų3523.2 Ų23.225%0.24513%0.125CC..Hα-helixtrans-58-48.6176.6-173.60000112.4N190 I191 W192 H198N190-S194 PolarHBondContact O-N 2.94Å; I191-S194 PolarHBondContact O-N 3.11Å; W192-S194 VanDerWaalsContact C-N 3.32Å; W192-S194 PolarHBondContact O-N 2.92Å; S194-H198 PolarHBondContact O-N 3.39Å; S194-H198 PolarHBondContact O-ND1 3.35Å
195V98.7Very high97.6Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-64.4-44.6179.6171.30000111.4Y31 F34 F38 A151 I191 W192 L193 H198 C199Y31-V195 HydrophobicContact CD2-CG2 3.56Å; Y31-V195 HydrophobicContact CE2-CG2 3.85Å; F34-V195 HydrophobicContact CB-CB 4.29Å; F34-V195 HydrophobicContact CB-CG1 4.09Å; F34-V195 HydrophobicContact CB-CG2 4.18Å; F38-V195 HydrophobicContact CD2-CG1 3.83Å; F38-V195 HydrophobicContact CE2-CG1 3.85Å; A151-V195 HydrophobicContact CB-CG1 3.9Å; I191-V195 HydrophobicContact CG2-CG2 4.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.27Å; W192-V195 PolarHBondContact O-N 3.12Å; L193-V195 PolarHBondContact O-N 2.85Å; V195-H198 PolarHBondContact O-N 2.88Å; V195-C199 PolarHBondContact O-N 3.46Å
196E98.3Very high97.5Very high2 Ų226.1 Ų26.11%0.00913%0.131CC..Hα-helixtrans-66.1-40.5-179.4-171.3179.8-165.400111.8F38 W192 L193 H198 C199 A206 T207 A219F38-E196 HydrophobicContact CZ-CG 4.36Å; W192-E196 HydrophobicContact CZ2-CB 4.39Å; W192-E196 HydrophobicContact CZ2-CG 4.38Å; W192-E196 PolarHBondContact NE1-OE2 2.91Å; W192-E196 WeakPolarHBondContact O-CB 3.26Å; W192-E196 PolarHBondContact O-N 2.88Å; L193-E196 PolarHBondContact O-N 3.3Å; E196-H198 PolarHBondContact O-N 2.9Å; E196-C199 WeakPolarHBondContact O-CB 3.17Å; E196-C199 PolarHBondContact O-N 3.14Å; E196-C199 PolarHBondContact O-SG 3.23Å; E196-A206 WeakPolarHBondContact OE1-CA 3.09Å; E196-A206 WeakPolarHBondContact OE1-CB 3.41Å; E196-T207 PolarHBondContact OE1-N 3.39Å; E196-T207 PolarHBondContact OE1-OG1 2.96Å; E196-T207 VanDerWaalsContact OE2-CB 3.26Å; E196-T207 WeakPolarHBondContact OE2-CB 3.48Å; E196-T207 WeakPolarHBondContact OE2-CG2 3.02Å; E196-T207 PolarHBondContact OE2-OG1 3.16Å; E196-A219 WeakPolarHBondContact O-CB 3.42Å
197D97.9Very high97.3Very high3 Ų327.2 Ų27.22%0.01614%0.138CC..Hα-helixtrans-62.2-26176.9-72.7-25.9000112.6L193 G218 A219 H222 Y236L193-D197 WeakPolarHBondContact O-CB 3.31Å; L193-D197 PolarHBondContact O-N 3.28Å; D197-G218 WeakPolarHBondContact OD1-CA 3.31Å; D197-A219 WeakPolarHBondContact O-CA 3.24Å; D197-H222 HydrophobicContact CB-CB 4.06Å; D197-H222 WeakPolarHBondContact O-CB 3.25Å; D197-Y236 WeakPolarHBondContact OD2-CD1 3.28Å
198H98.1Very high97.1Very high11 Ų1126.7 Ų26.75%0.05114%0.136CC..Hα-helixtrans-95.7-7.1175.8-66.677.9000113.3H143 T149 S150 A151 A154 S194 V195 E196 G200 H222 H226H143-H198 AromaticContact CE1-CD2 3.91Å; H143-H198 AromaticContact CE1-NE2 3.06Å; H143-H198 PolarHBondContact CE1-NE2 2.86Å; H143-H198 AromaticContact NE2-NE2 3.31Å; H143-H198 PolarHBondContact NE2-NE2 3.37Å; T149-H198 CarbonylContact C-O 3.41Å; T149-H198 WeakPolarHBondContact CB-O 3.21Å; T149-H198 PolarHBondContact OG1-O 2.91Å; S150-H198 CarbonylContact C-O 3.56Å; S150-H198 WeakPolarHBondContact CA-O 3.45Å; S150-H198 PolarHBondContact N-O 2.89Å; S150-H198 VanDerWaalsContact O-CB 3.29Å; S150-H198 WeakPolarHBondContact O-CB 3.35Å; A151-H198 PolarHBondContact N-O 2.89Å; A154-H198 HydrophobicContact CB-CB 3.88Å; S194-H198 PolarHBondContact O-N 3.39Å; S194-H198 PolarHBondContact O-ND1 3.35Å; V195-H198 PolarHBondContact O-N 2.88Å; E196-H198 PolarHBondContact O-N 2.9Å; H198-G200 PolarHBondContact O-N 3.02Å; H198-H222 AromaticContact CD2-CD2 3.65Å; H198-H222 AromaticContact CD2-NE2 3.49Å; H198-H222 PolarHBondContact CD2-NE2 3.07Å; H198-H222 AromaticContact CE1-CD2 3.6Å; H198-H222 AromaticContact CE1-CE1 3.99Å; H198-H222 AromaticContact CE1-NE2 3.24Å; H198-H222 PolarHBondContact CE1-NE2 3.18Å; H198-H222 AromaticContact CG-CD2 3.95Å; H198-H222 AromaticContact ND1-CD2 3.91Å; H198-H222 AromaticContact ND1-NE2 4Å; H198-H222 AromaticContact NE2-CD2 3.47Å; H198-H222 PolarHBondContact NE2-CD2 2.81Å; H198-H222 AromaticContact NE2-CE1 3.87Å; H198-H222 AromaticContact NE2-NE2 2.88Å; H198-H222 PolarHBondContact NE2-NE2 3.14Å; H198-H226 AromaticContact NE2-NE2 3.9Å
199C97.2Very high96.9Very high2 Ų229.4 Ų29.41%0.01414%0.143CC..SBendtrans-60-19.8-161.8730000115.1F38 V195 E196 Y201F38-C199 HydrophobicContact CB-CB 4.26Å; F38-C199 HydrophobicContact CD1-CB 3.39Å; F38-C199 HydrophobicContact CD2-CB 3.94Å; F38-C199 HydrophobicContact CE1-CB 3.54Å; F38-C199 HydrophobicContact CE2-CB 4.09Å; F38-C199 HydrophobicContact CG-CB 3.6Å; F38-C199 HydrophobicContact CZ-CB 3.89Å; V195-C199 PolarHBondContact O-N 3.46Å; E196-C199 WeakPolarHBondContact O-CB 3.17Å; E196-C199 PolarHBondContact O-N 3.14Å; E196-C199 PolarHBondContact O-SG 3.23Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 WeakPolarHBondContact O-CD2 3.32Å; C199-Y201 PolarHBondContact SG-N 3.47Å; C199-Y201 PolarHBondContact SG-O 3.01Å; C199-Y201 VanDerWaalsContact SG-O 3.33Å
200G96.7Very high96.6Very high4 Ų433.9 Ų33.94%0.04117%0.165CC..SBendtrans848.6178.500000113.4L56 H198L56-G200 PolarHBondContact N-O 2.98Å; H198-G200 PolarHBondContact O-N 3.02Å
201Y96.9Very high96.4Very high1 Ų136.1 Ų36.10%0.00418%0.176CC..BIsolated β-bridgetrans-129.6139.7-179-62.2-90.4000112.2L41 D42 V51 Y54 K55 C199 L203 A219L41-Y201 HydrophobicContact CB-CE1 4.36Å; L41-Y201 HydrophobicContact CB-CE2 4.01Å; L41-Y201 HydrophobicContact CD1-CD2 4.48Å; L41-Y201 PolarHBondContact O-OH 3.07Å; D42-Y201 VanDerWaalsContact CA-OH 3.26Å; D42-Y201 WeakPolarHBondContact CA-OH 3.48Å; D42-Y201 PolarHBondContact N-OH 3.11Å; D42-Y201 PolarHBondContact OD1-OH 3.22Å; V51-Y201 HydrophobicContact CG1-CE1 4.15Å; Y54-Y201 CarbonylContact O-C 3.49Å; Y54-Y201 VanDerWaalsContact O-CA 3.3Å; Y54-Y201 WeakPolarHBondContact O-CA 3.3Å; K55-Y201 HydrophobicContact CB-CD1 4.31Å; K55-Y201 HydrophobicContact CB-CE1 4.07Å; K55-Y201 HydrophobicContact CD-CE1 4.36Å; K55-Y201 HydrophobicContact CG-CE1 4.2Å; K55-Y201 PolarHBondContact NZ-OH 3.01Å; K55-Y201 VanDerWaalsContact NZ-OH 3.12Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 WeakPolarHBondContact O-CD2 3.32Å; C199-Y201 PolarHBondContact SG-N 3.47Å; C199-Y201 PolarHBondContact SG-O 3.01Å; C199-Y201 VanDerWaalsContact SG-O 3.33Å; Y201-L203 HydrophobicContact CG-CD2 4.49Å; Y201-A219 VanDerWaalsContact O-CB 3.3Å; Y201-A219 WeakPolarHBondContact O-CB 3.22Å
202D96.7Very high95.9Very high35 Ų3539 Ų3919%0.18720%0.196CC..  trans-100.980.9165.5-17512.6000110Y54 L56 H208 R209Y54-D202 VanDerWaalsContact CD1-O 3.3Å; Y54-D202 WeakPolarHBondContact CD1-O 3.33Å; Y54-D202 PolarHBondContact O-N 2.64Å; L56-D202 HydrophobicContact CD2-CB 3.82Å; L56-D202 HydrophobicContact CG-CB 4.37Å; D202-H208 IonicContact OD1-CE1 3.21Å; D202-H208 PolarHBondContact OD1-CE1 3.26Å; D202-H208 IonicContact OD1-NE2 3.67Å; D202-R209 IonicContact OD1-CZ 3.2Å; D202-R209 IonicContact OD1-NH1 2.73Å; D202-R209 PolarHBondContact OD1-NH1 3.47Å; D202-R209 IonicContact OD1-NH2 2.74Å; D202-R209 PolarHBondContact OD1-NH2 3Å; D202-R209 IonicContact OD2-NH2 3.46Å; D202-R209 PolarHBondContact OD2-NH2 3.14Å
203L95.9Very high95.6Very high7 Ų744.8 Ų44.84%0.03722%0.223CC..  trans-81.4147.8-174-63.3166000111.1F38 L41 Y54 Y201 W205 A206 R209F38-L203 HydrophobicContact CD1-CD1 4.33Å; F38-L203 HydrophobicContact CE1-CD1 3.86Å; L41-L203 HydrophobicContact CD1-CD1 3.6Å; L41-L203 HydrophobicContact CD1-CD2 4.18Å; Y54-L203 HydrophobicContact CD2-CD2 4.03Å; Y54-L203 HydrophobicContact CG-CD2 4.05Å; Y201-L203 HydrophobicContact CG-CD2 4.49Å; L203-W205 HydrophobicContact CB-CD2 4.03Å; L203-W205 HydrophobicContact CB-CE3 4.39Å; L203-W205 HydrophobicContact CB-CG 4.49Å; L203-W205 HydrophobicContact CB-CZ2 4.19Å; L203-W205 HydrophobicContact CD1-CH2 3.31Å; L203-W205 HydrophobicContact CD1-CZ2 3.26Å; L203-W205 HydrophobicContact CD1-CZ3 3.97Å; L203-W205 HydrophobicContact CG-CH2 4.49Å; L203-W205 HydrophobicContact CG-CZ2 4.18Å; L203-W205 PolarHBondContact O-N 2.88Å; L203-A206 VanDerWaalsContact O-CB 3.3Å; L203-A206 WeakPolarHBondContact O-CB 3.45Å; L203-A206 PolarHBondContact O-N 3.16Å; L203-R209 PolarHBondContact O-NH1 2.93Å
204P94.5Very high95.3Very high69 Ų6946 Ų4645%0.44824%0.238SC..THydrogen-bonded Turntrans-62.3-17-176.726-34.8000113.9Y54 R209Y54-P204 HydrophobicContact CE1-CG 4.27Å; P204-R209 WeakPolarHBondContact O-CD 3.29Å
205W93.3Very high95.1Very high142 Ų14247.5 Ų47.554%0.53824%0.243SC..THydrogen-bonded Turntrans-106.38.3177.747.6-103.3000113.4F38 W192 L203 T207F38-W205 AromaticContact CE1-CH2 3.95Å; F38-W205 HydrophobicContact CE1-CH2 3.95Å; F38-W205 HydrophobicContact CE1-CZ3 4.37Å; F38-W205 HydrophobicContact CZ-CH2 4.32Å; F38-W205 HydrophobicContact CZ-CZ3 4.44Å; W192-W205 HydrophobicContact CH2-CZ3 4.39Å; W192-W205 HydrophobicContact CZ2-CZ3 4.46Å; L203-W205 HydrophobicContact CB-CD2 4.03Å; L203-W205 HydrophobicContact CB-CE3 4.39Å; L203-W205 HydrophobicContact CB-CG 4.49Å; L203-W205 HydrophobicContact CB-CZ2 4.19Å; L203-W205 HydrophobicContact CD1-CH2 3.31Å; L203-W205 HydrophobicContact CD1-CZ2 3.26Å; L203-W205 HydrophobicContact CD1-CZ3 3.97Å; L203-W205 HydrophobicContact CG-CH2 4.49Å; L203-W205 HydrophobicContact CG-CZ2 4.18Å; L203-W205 PolarHBondContact O-N 2.88Å; W205-T207 PolarHBondContact O-N 2.98Å
206A95.3Very high95Very high3 Ų348.1 Ų48.13%0.02525%0.246CC..  trans-61.2139.9-179.200000111.2E196 L203 H208 R209E196-A206 WeakPolarHBondContact OE1-CA 3.09Å; E196-A206 WeakPolarHBondContact OE1-CB 3.41Å; L203-A206 VanDerWaalsContact O-CB 3.3Å; L203-A206 WeakPolarHBondContact O-CB 3.45Å; L203-A206 PolarHBondContact O-N 3.16Å; A206-H208 PolarHBondContact O-N 3.09Å; A206-H208 VanDerWaalsContact O-N 3.12Å; A206-R209 WeakPolarHBondContact O-CB 3.44Å; A206-R209 PolarHBondContact O-N 3.28Å
207T94.6Very high94.9Very high22 Ų2248.5 Ų48.514%0.13525%0.25CC..G310 helixtrans-62.2-24.8-167.956.20000114.2E196 W205 R209 L210 Y216E196-T207 PolarHBondContact OE1-N 3.39Å; E196-T207 PolarHBondContact OE1-OG1 2.96Å; E196-T207 VanDerWaalsContact OE2-CB 3.26Å; E196-T207 WeakPolarHBondContact OE2-CB 3.48Å; E196-T207 WeakPolarHBondContact OE2-CG2 3.02Å; E196-T207 PolarHBondContact OE2-OG1 3.16Å; W205-T207 PolarHBondContact O-N 2.98Å; T207-R209 PolarHBondContact O-N 3.36Å; T207-L210 HydrophobicContact CG2-CD1 4.28Å; T207-L210 WeakPolarHBondContact O-CB 3.4Å; T207-L210 VanDerWaalsContact O-CG 3.25Å; T207-L210 WeakPolarHBondContact O-CG 3.35Å; T207-L210 PolarHBondContact O-N 2.91Å; T207-Y216 WeakPolarHBondContact O-CD1 3.45Å; T207-Y216 WeakPolarHBondContact O-CE1 3.22Å; T207-Y216 WeakPolarHBondContact OG1-CE1 3.36Å; T207-Y216 VanDerWaalsContact OG1-CZ 3.24Å; T207-Y216 PolarHBondContact OG1-OH 2.75Å
208H94.7Very high94.8Very high31 Ų3148.4 Ų48.414%0.14425%0.249CC..G310 helixtrans-60.6-18.2175.274.5-92.8000113.8D202 A206 L210 Y216D202-H208 IonicContact OD1-CE1 3.21Å; D202-H208 PolarHBondContact OD1-CE1 3.26Å; D202-H208 IonicContact OD1-NE2 3.67Å; A206-H208 PolarHBondContact O-N 3.09Å; A206-H208 VanDerWaalsContact O-N 3.12Å; H208-L210 VanDerWaalsContact C-N 3.28Å; H208-L210 PolarHBondContact O-N 2.75Å; H208-Y216 VanDerWaalsContact CA-CD1 3.49Å; H208-Y216 HydrophobicContact CB-CD1 4.35Å; H208-Y216 HydrophobicContact CB-CD2 4.04Å; H208-Y216 HydrophobicContact CB-CG 3.91Å
209R94.9Very high94.8Very high111 Ų11147.9 Ų47.942%0.41925%0.247SC..G310 helixtrans-75.3-13.7172.7-65.6173.3169.769.42113.6D202 L203 P204 A206 T207 I211D202-R209 IonicContact OD1-CZ 3.2Å; D202-R209 IonicContact OD1-NH1 2.73Å; D202-R209 PolarHBondContact OD1-NH1 3.47Å; D202-R209 IonicContact OD1-NH2 2.74Å; D202-R209 PolarHBondContact OD1-NH2 3Å; D202-R209 IonicContact OD2-NH2 3.46Å; D202-R209 PolarHBondContact OD2-NH2 3.14Å; L203-R209 PolarHBondContact O-NH1 2.93Å; P204-R209 WeakPolarHBondContact O-CD 3.29Å; A206-R209 WeakPolarHBondContact O-CB 3.44Å; A206-R209 PolarHBondContact O-N 3.28Å; T207-R209 PolarHBondContact O-N 3.36Å; R209-I211 VanDerWaalsContact C-N 3.32Å
210L93.6Very high94.8Very high136 Ų13653.6 Ų53.671%0.71227%0.268SS*.G310 helixtrans-73.3-25.3178.8-60.9174.2000112.6T207 H208T207-L210 HydrophobicContact CG2-CD1 4.28Å; T207-L210 WeakPolarHBondContact O-CB 3.4Å; T207-L210 VanDerWaalsContact O-CG 3.25Å; T207-L210 WeakPolarHBondContact O-CG 3.35Å; T207-L210 PolarHBondContact O-N 2.91Å; H208-L210 VanDerWaalsContact C-N 3.28Å; H208-L210 PolarHBondContact O-N 2.75Å
211I92.9Very high94.8Very high59 Ų5954 Ų5430%0.30327%0.269SS..SBendtrans-114.4118.3-178.7-54.6-176.8000109R209 L215 Y216 F237R209-I211 VanDerWaalsContact C-N 3.32Å; I211-L215 HydrophobicContact CG2-CB 3.86Å; I211-Y216 HydrophobicContact CB-CD1 4.47Å; I211-Y216 HydrophobicContact CD1-CD1 3.87Å; I211-Y216 HydrophobicContact CD1-CG 4.34Å; I211-Y216 HydrophobicContact CG1-CD1 4.04Å; I211-F237 HydrophobicContact CD1-CD1 4.24Å; I211-F237 HydrophobicContact CD1-CE1 3.62Å
212P89.4Confident94.9Very high79 Ų7954.5 Ų54.551%0.51327%0.272SS..G310 helixtrans-69.2175.6-175.729.3-35.5000112.7G214 L215P212-G214 PolarHBondContact O-N 3.34Å; P212-G214 VanDerWaalsContact O-N 3.13Å; P212-L215 PolarHBondContact O-N 3.48Å
213F92.1Very high94.9Very high176 Ų17653.1 Ų53.177%0.77226%0.264SS*.G310 helixtrans65.112.8175-43.9-64.7000115.2L215 R242F213-L215 HydrophobicContact CB-CG 4.32Å; F213-L215 PolarHBondContact O-N 2.95Å; F213-R242 PolarHBondContact O-NH2 3.14Å
214G91.4Very high95Very high38 Ų3854.2 Ų54.239%0.39227%0.27SS..G310 helixtrans6332.4-177.500000112P212 Y216 T238 R242P212-G214 PolarHBondContact O-N 3.34Å; P212-G214 VanDerWaalsContact O-N 3.13Å; G214-Y216 VanDerWaalsContact C-N 3.3Å; G214-T238 WeakPolarHBondContact O-CG2 3.48Å; G214-T238 PolarHBondContact O-OG1 3.25Å; G214-R242 PolarHBondContact O-NH2 2.96Å
215L94.9Very high95.2Very high67 Ų6751 Ų5135%0.35125%0.249SC..THydrogen-bonded Turntrans-77-19.9174.7-71.4173.6000112.3I211 P212 F213 F237 T238I211-L215 HydrophobicContact CG2-CB 3.86Å; P212-L215 PolarHBondContact O-N 3.48Å; F213-L215 HydrophobicContact CB-CG 4.32Å; F213-L215 PolarHBondContact O-N 2.95Å; L215-F237 CarbonylContact O-C 3.29Å; L215-F237 WeakPolarHBondContact O-CA 3.32Å; L215-T238 WeakPolarHBondContact CA-OG1 3.36Å; L215-T238 PolarHBondContact O-N 3.42Å
216Y96.1Very high95.4Very high13 Ų1344.4 Ų44.45%0.05122%0.224CC..BIsolated β-bridgetrans-104.4123.1170-166.6170.2000108L193 T207 H208 I211 G214 Y236L193-Y216 WeakPolarHBondContact CD2-OH 3.11Å; T207-Y216 WeakPolarHBondContact O-CD1 3.45Å; T207-Y216 WeakPolarHBondContact O-CE1 3.22Å; T207-Y216 WeakPolarHBondContact OG1-CE1 3.36Å; T207-Y216 VanDerWaalsContact OG1-CZ 3.24Å; T207-Y216 PolarHBondContact OG1-OH 2.75Å; H208-Y216 VanDerWaalsContact CA-CD1 3.49Å; H208-Y216 HydrophobicContact CB-CD1 4.35Å; H208-Y216 HydrophobicContact CB-CD2 4.04Å; H208-Y216 HydrophobicContact CB-CG 3.91Å; I211-Y216 HydrophobicContact CB-CD1 4.47Å; I211-Y216 HydrophobicContact CD1-CD1 3.87Å; I211-Y216 HydrophobicContact CD1-CG 4.34Å; I211-Y216 HydrophobicContact CG1-CD1 4.04Å; G214-Y216 VanDerWaalsContact C-N 3.3Å; Y216-Y236 VanDerWaalsContact CD2-O 3.28Å; Y216-Y236 WeakPolarHBondContact CD2-O 3.37Å
217G96.1Very high95.4Very high9 Ų947.6 Ų47.69%0.09324%0.24CC..  trans-72.7-54.1-175.900000113.7H221 Y236G217-H221 VanDerWaalsContact C-CB 3.43Å; G217-H221 WeakPolarHBondContact O-CB 3.37Å; G217-Y236 PolarHBondContact N-O 2.88Å
218G96.7Very high95.5Very high1 Ų151.2 Ų51.21%0.0125%0.254CS..Hα-helixtrans67.7-171.1-176.600000114D197 R220 H221 H222D197-G218 WeakPolarHBondContact OD1-CA 3.31Å; G218-R220 VanDerWaalsContact C-N 3.28Å; G218-R220 PolarHBondContact O-N 3.39Å; G218-R220 VanDerWaalsContact O-N 3.14Å; G218-H221 WeakPolarHBondContact O-CB 3.16Å; G218-H221 PolarHBondContact O-N 2.94Å; G218-H222 PolarHBondContact O-N 2.85Å
219A97.4Very high95.5Very high0 Ų051.4 Ų51.40%026%0.259CS..Hα-helixtrans-49.5-42.8-179.500000114.7L56 E196 D197 Y201 H221 H222 D223L56-A219 HydrophobicContact CD1-CB 3.95Å; E196-A219 WeakPolarHBondContact O-CB 3.42Å; D197-A219 WeakPolarHBondContact O-CA 3.24Å; Y201-A219 VanDerWaalsContact O-CB 3.3Å; Y201-A219 WeakPolarHBondContact O-CB 3.22Å; A219-H221 PolarHBondContact O-N 3.49Å; A219-H222 PolarHBondContact O-N 3.21Å; A219-D223 VanDerWaalsContact O-CB 3.26Å; A219-D223 WeakPolarHBondContact O-CB 3.34Å; A219-D223 PolarHBondContact O-N 2.91Å
220R96.3Very high95.5Very high122 Ų12253.3 Ų53.346%0.4627%0.27SS..Hα-helixtrans-65-41-178.5-179.8176.1169.2177.2-5112.4L56 G218 H222 L224 T249L56-R220 HydrophobicContact CD2-CB 4.08Å; L56-R220 HydrophobicContact CD2-CG 4.25Å; G218-R220 VanDerWaalsContact C-N 3.28Å; G218-R220 PolarHBondContact O-N 3.39Å; G218-R220 VanDerWaalsContact O-N 3.14Å; R220-H222 VanDerWaalsContact C-N 3.34Å; R220-L224 HydrophobicContact CG-CD1 4.28Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 VanDerWaalsContact O-CG 3.3Å; R220-L224 WeakPolarHBondContact O-CG 3.42Å; R220-L224 PolarHBondContact O-N 3.3Å; R220-L224 VanDerWaalsContact O-N 3.15Å; R220-T249 PolarHBondContact NH2-OXT 2.92Å
221H97.6Very high95.7Very high12 Ų1251.3 Ų51.36%0.05625%0.254CS..Hα-helixtrans-63-45.1-180177.878.5000110.9G217 G218 A219 H225 N232 A234 D241G217-H221 VanDerWaalsContact C-CB 3.43Å; G217-H221 WeakPolarHBondContact O-CB 3.37Å; G218-H221 WeakPolarHBondContact O-CB 3.16Å; G218-H221 PolarHBondContact O-N 2.94Å; A219-H221 PolarHBondContact O-N 3.49Å; H221-H225 PolarHBondContact O-N 3.49Å; H221-N232 WeakPolarHBondContact CE1-CB 3.49Å; H221-N232 PolarHBondContact CE1-OD1 3.45Å; H221-N232 VanDerWaalsContact CE1-OD1 3.23Å; H221-N232 VanDerWaalsContact ND1-CG 3.25Å; H221-N232 PolarHBondContact ND1-ND2 3.25Å; H221-N232 PolarHBondContact ND1-OD1 3.38Å; H221-N232 WeakPolarHBondContact NE2-CB 3.46Å; H221-N232 WeakPolarHBondContact O-CB 3.37Å; H221-N232 PolarHBondContact O-ND2 3.01Å; H221-A234 PolarHBondContact NE2-O 3.03Å; H221-D241 IonicContact CE1-OD2 2.66Å; H221-D241 PolarHBondContact CE1-OD2 2.73Å; H221-D241 IonicContact NE2-OD2 3.43Å; H221-D241 PolarHBondContact NE2-OD2 3.49Å
222H98.1Very high95.9Very high13 Ų1348.5 Ų48.56%0.0624%0.239CC..Hα-helixtrans-75.3-37.3-178.4-165.667.8000113.1H143 D197 H198 G218 A219 R220 L224 H225 H226H143-H222 AromaticContact NE2-NE2 3.75Å; D197-H222 HydrophobicContact CB-CB 4.06Å; D197-H222 WeakPolarHBondContact O-CB 3.25Å; H198-H222 AromaticContact CD2-CD2 3.65Å; H198-H222 AromaticContact CD2-NE2 3.49Å; H198-H222 PolarHBondContact CD2-NE2 3.07Å; H198-H222 AromaticContact CE1-CD2 3.6Å; H198-H222 AromaticContact CE1-CE1 3.99Å; H198-H222 AromaticContact CE1-NE2 3.24Å; H198-H222 PolarHBondContact CE1-NE2 3.18Å; H198-H222 AromaticContact CG-CD2 3.95Å; H198-H222 AromaticContact ND1-CD2 3.91Å; H198-H222 AromaticContact ND1-NE2 4Å; H198-H222 AromaticContact NE2-CD2 3.47Å; H198-H222 PolarHBondContact NE2-CD2 2.81Å; H198-H222 AromaticContact NE2-CE1 3.87Å; H198-H222 AromaticContact NE2-NE2 2.88Å; H198-H222 PolarHBondContact NE2-NE2 3.14Å; G218-H222 PolarHBondContact O-N 2.85Å; A219-H222 PolarHBondContact O-N 3.21Å; R220-H222 VanDerWaalsContact C-N 3.34Å; H222-L224 VanDerWaalsContact C-N 3.33Å; H222-L224 PolarHBondContact O-N 3.36Å; H222-H225 WeakPolarHBondContact O-CA 3.42Å; H222-H225 WeakPolarHBondContact O-CB 3.14Å; H222-H225 PolarHBondContact O-N 3.09Å; H222-H226 AromaticContact CD2-CD2 3.55Å; H222-H226 AromaticContact CD2-NE2 3.58Å; H222-H226 AromaticContact CE1-CD2 3.95Å; H222-H226 AromaticContact CE1-NE2 3.68Å; H222-H226 AromaticContact NE2-CD2 3.25Å; H222-H226 PolarHBondContact NE2-CD2 2.97Å; H222-H226 AromaticContact NE2-NE2 2.86Å; H222-H226 PolarHBondContact NE2-NE2 2.65Å; H222-H226 PolarHBondContact O-CD2 2.77Å; H222-H226 PolarHBondContact O-N 3.38Å
223D97.7Very high96.4Very high6 Ų645 Ų453%0.03222%0.216CC..Hα-helixtrans-61.2-41.5173-174.377.5000111.7L56 Q57 A219 H225 H226 I227L56-D223 HydrophobicContact CD1-CB 3.71Å; Q57-D223 VanDerWaalsContact NE2-CG 3.33Å; Q57-D223 PolarHBondContact NE2-OD1 2.88Å; Q57-D223 PolarHBondContact NE2-OD2 2.91Å; A219-D223 VanDerWaalsContact O-CB 3.26Å; A219-D223 WeakPolarHBondContact O-CB 3.34Å; A219-D223 PolarHBondContact O-N 2.91Å; D223-H225 PolarHBondContact O-N 2.85Å; D223-H226 PolarHBondContact O-N 3.4Å; D223-H226 VanDerWaalsContact O-N 3.14Å; D223-I227 WeakPolarHBondContact O-CG1 3.4Å; D223-I227 PolarHBondContact O-N 3.33Å; D223-I227 WeakPolarHBondContact OD2-CD1 3.23Å
224L97.4Very high96.6Very high30 Ų3036.6 Ų36.616%0.15718%0.179CC..Hα-helixtrans-61.2-33.1172.3-74.5172.6000112.6R220 H222 I227 K228 Y248R220-L224 HydrophobicContact CG-CD1 4.28Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 VanDerWaalsContact O-CG 3.3Å; R220-L224 WeakPolarHBondContact O-CG 3.42Å; R220-L224 PolarHBondContact O-N 3.3Å; R220-L224 VanDerWaalsContact O-N 3.15Å; H222-L224 VanDerWaalsContact C-N 3.33Å; H222-L224 PolarHBondContact O-N 3.36Å; L224-I227 PolarHBondContact O-N 3.15Å; L224-K228 WeakPolarHBondContact O-CB 3.26Å; L224-K228 PolarHBondContact O-N 3.49Å; L224-Y248 HydrophobicContact CD1-CD1 4.31Å; L224-Y248 HydrophobicContact CD2-CD1 4.44Å; L224-Y248 HydrophobicContact CD2-CE1 4.32Å
225H98.3Very high96.7Very high0 Ų035.7 Ų35.70%017%0.166CC..Hα-helixtrans-62.7-48.3172.2175.174000111.3H126 H130 H140 H144 H221 H222 D223 I227 K228 S229 Y231 N232 Y233H126-H225 AromaticContact CE1-CD2 3.68Å; H126-H225 AromaticContact CE1-CE1 3.41Å; H126-H225 PolarHBondContact CE1-CE1 3.31Å; H126-H225 VanDerWaalsContact CE1-CE1 3.41Å; H126-H225 AromaticContact CE1-ND1 3.9Å; H126-H225 AromaticContact CE1-NE2 3.27Å; H126-H225 PolarHBondContact CE1-NE2 2.86Å; H126-H225 VanDerWaalsContact CE1-NE2 3.27Å; H126-H225 AromaticContact NE2-CD2 3.8Å; H126-H225 AromaticContact NE2-CE1 3.23Å; H126-H225 PolarHBondContact NE2-CE1 2.93Å; H126-H225 AromaticContact NE2-NE2 2.96Å; H126-H225 PolarHBondContact NE2-NE2 3.4Å; H130-H225 AromaticContact CD2-CE1 3.69Å; H130-H225 AromaticContact CE1-CE1 3.66Å; H130-H225 AromaticContact CE1-NE2 3.66Å; H130-H225 AromaticContact NE2-CE1 3.09Å; H130-H225 PolarHBondContact NE2-CE1 3.26Å; H130-H225 AromaticContact NE2-NE2 3.1Å; H130-H225 PolarHBondContact NE2-NE2 3.2Å; H130-H225 VanDerWaalsContact NE2-NE2 3.1Å; H140-H225 AromaticContact NE2-NE2 3.74Å; H144-H225 AromaticContact CE1-CD2 3.43Å; H144-H225 PolarHBondContact CE1-CD2 2.8Å; H144-H225 VanDerWaalsContact CE1-CD2 3.43Å; H144-H225 AromaticContact CE1-NE2 3.06Å; H144-H225 PolarHBondContact CE1-NE2 2.87Å; H144-H225 AromaticContact NE2-CD2 3.58Å; H144-H225 AromaticContact NE2-NE2 2.95Å; H144-H225 PolarHBondContact NE2-NE2 3.08Å; H221-H225 PolarHBondContact O-N 3.49Å; H222-H225 WeakPolarHBondContact O-CA 3.42Å; H222-H225 WeakPolarHBondContact O-CB 3.14Å; H222-H225 PolarHBondContact O-N 3.09Å; D223-H225 PolarHBondContact O-N 2.85Å; H225-I227 VanDerWaalsContact C-N 3.25Å; H225-I227 PolarHBondContact O-N 3.47Å; H225-K228 PolarHBondContact O-N 3.37Å; H225-S229 WeakPolarHBondContact O-CA 3.31Å; H225-S229 PolarHBondContact O-N 2.89Å; H225-Y231 PolarHBondContact ND1-O 2.93Å; H225-N232 HydrophobicContact CB-CB 3.95Å; H225-N232 WeakPolarHBondContact CB-O 3.48Å; H225-N232 PolarHBondContact ND1-O 2.93Å; H225-Y233 AromaticContact CE1-CD1 3.71Å; H225-Y233 AromaticContact CE1-CE1 3.85Å
226H97.6Very high96.8Very high5 Ų532.8 Ų32.82%0.02315%0.15CC..Hα-helixtrans-61.7-32176.9-81.4-92000112.9H143 Y146 T147 T149 H198 H222 D223H143-H226 AromaticContact CD2-CE1 3.51Å; H143-H226 AromaticContact CD2-NE2 3.83Å; H143-H226 AromaticContact NE2-CE1 3.33Å; H143-H226 PolarHBondContact NE2-CE1 2.79Å; H143-H226 VanDerWaalsContact NE2-CE1 3.33Å; H143-H226 AromaticContact NE2-NE2 3.24Å; H143-H226 PolarHBondContact NE2-NE2 3.32Å; Y146-H226 PolarHBondContact O-ND1 3.11Å; T147-H226 WeakPolarHBondContact O-CB 3.23Å; T149-H226 HydrophobicContact CG2-CB 4.01Å; T149-H226 WeakPolarHBondContact CG2-CD2 3.22Å; H198-H226 AromaticContact NE2-NE2 3.9Å; H222-H226 AromaticContact CD2-CD2 3.55Å; H222-H226 AromaticContact CD2-NE2 3.58Å; H222-H226 AromaticContact CE1-CD2 3.95Å; H222-H226 AromaticContact CE1-NE2 3.68Å; H222-H226 AromaticContact NE2-CD2 3.25Å; H222-H226 PolarHBondContact NE2-CD2 2.97Å; H222-H226 AromaticContact NE2-NE2 2.86Å; H222-H226 PolarHBondContact NE2-NE2 2.65Å; H222-H226 PolarHBondContact O-CD2 2.77Å; H222-H226 PolarHBondContact O-N 3.38Å; D223-H226 PolarHBondContact O-N 3.4Å; D223-H226 VanDerWaalsContact O-N 3.14Å
227I96.7Very high96.8Very high70 Ų7033.6 Ų33.636%0.35915%0.154SC..Hα-helixtrans-73.2-40.8176.7-65.9165.5000112.5Q57 T147 D223 L224 H225Q57-I227 HydrophobicContact CG-CD1 4.46Å; T147-I227 HydrophobicContact CG2-CG1 4.14Å; D223-I227 WeakPolarHBondContact O-CG1 3.4Å; D223-I227 PolarHBondContact O-N 3.33Å; D223-I227 WeakPolarHBondContact OD2-CD1 3.23Å; L224-I227 PolarHBondContact O-N 3.15Å; H225-I227 VanDerWaalsContact C-N 3.25Å; H225-I227 PolarHBondContact O-N 3.47Å
228K96.1Very high96.9Very high97 Ų9733.4 Ų33.442%0.42215%0.151SC..Hα-helixtrans-105.8-25.9-169.2-61.7-63.9-175.2-1780114.2L224 H225 K230 Y231L224-K228 WeakPolarHBondContact O-CB 3.26Å; L224-K228 PolarHBondContact O-N 3.49Å; H225-K228 PolarHBondContact O-N 3.37Å; K228-K230 PolarHBondContact O-N 3.45Å; K228-Y231 HydrophobicContact CB-CD2 4.03Å
229S93.8Very high96.9Very high35 Ų3536 Ų3625%0.24516%0.163CC..SBendtrans53.3-10-174.7-42.20000116.7H130 H144 H225H130-S229 PolarHBondContact ND1-O 3.42Å; H144-S229 PolarHBondContact ND1-OG 3.45Å; H225-S229 WeakPolarHBondContact O-CA 3.31Å; H225-S229 PolarHBondContact O-N 2.89Å
230K95.3Very high96.9Very high151 Ų15139 Ų3966%0.65717%0.174SC*.SBendtrans-102.4-2.1-174.2-66.6-175.4-177.5-179.10114.5K228 Y233K228-K230 PolarHBondContact O-N 3.45Å; K230-Y233 VanDerWaalsContact CA-OH 3.31Å; K230-Y233 WeakPolarHBondContact CA-OH 3.41Å; K230-Y233 PolarHBondContact O-OH 3.14Å; K230-Y233 VanDerWaalsContact O-OH 3.06Å
231Y97.7Very high97Very high95 Ų9533.1 Ų33.137%0.37315%0.152SC..SBendtrans-141.4167.9-172.1-58.3-69.7000109.6H225 K228 T246 Y248H225-Y231 PolarHBondContact ND1-O 2.93Å; K228-Y231 HydrophobicContact CB-CD2 4.03Å; Y231-T246 CarbonylContact C-O 3.58Å; Y231-T246 WeakPolarHBondContact CA-O 3.42Å; Y231-T246 VanDerWaalsContact CB-O 3.27Å; Y231-T246 WeakPolarHBondContact CB-O 3.24Å; Y231-Y248 HydrophobicContact CD2-CD2 4.27Å; Y231-Y248 HydrophobicContact CD2-CG 4.29Å; Y231-Y248 HydrophobicContact CE2-CD2 4.41Å; Y231-Y248 HydrophobicContact CG-CG 4.41Å
232N98.3Very high97Very high0 Ų038.1 Ų38.10%017%0.17CC..  trans59.559.4171.8-63.3-8.2000112.6H221 H225 D241 T246 Y248H221-N232 WeakPolarHBondContact CE1-CB 3.49Å; H221-N232 PolarHBondContact CE1-OD1 3.45Å; H221-N232 VanDerWaalsContact CE1-OD1 3.23Å; H221-N232 VanDerWaalsContact ND1-CG 3.25Å; H221-N232 PolarHBondContact ND1-ND2 3.25Å; H221-N232 PolarHBondContact ND1-OD1 3.38Å; H221-N232 WeakPolarHBondContact NE2-CB 3.46Å; H221-N232 WeakPolarHBondContact O-CB 3.37Å; H221-N232 PolarHBondContact O-ND2 3.01Å; H225-N232 HydrophobicContact CB-CB 3.95Å; H225-N232 WeakPolarHBondContact CB-O 3.48Å; H225-N232 PolarHBondContact ND1-O 2.93Å; N232-D241 WeakPolarHBondContact CA-OD2 3.33Å; N232-T246 PolarHBondContact N-O 3.13Å; N232-Y248 PolarHBondContact ND2-O 3.32Å; N232-Y248 PolarHBondContact OD1-N 3.33Å; N232-Y248 PolarHBondContact OD1-O 2.93Å
233Y98.3Very high97Very high5 Ų543.7 Ų43.72%0.0220%0.2CC..  trans-86.1-19.5-178.4-58.2-62000113.4H126 L127 H130 H225 K230 D241 T246H126-Y233 PolarHBondContact ND1-O 2.91Å; L127-Y233 HydrophobicContact CD1-CD2 3.56Å; L127-Y233 HydrophobicContact CD1-CE2 3.54Å; L127-Y233 HydrophobicContact CD1-CG 4.28Å; H130-Y233 HydrophobicContact CB-CD1 4.42Å; H130-Y233 HydrophobicContact CB-CE1 3.53Å; H130-Y233 AromaticContact CD2-CD1 3.65Å; H130-Y233 AromaticContact CD2-CE1 3.39Å; H130-Y233 WeakPolarHBondContact CD2-CE1 3.47Å; H130-Y233 AromaticContact CG-CE1 3.53Å; H225-Y233 AromaticContact CE1-CD1 3.71Å; H225-Y233 AromaticContact CE1-CE1 3.85Å; K230-Y233 VanDerWaalsContact CA-OH 3.31Å; K230-Y233 WeakPolarHBondContact CA-OH 3.41Å; K230-Y233 PolarHBondContact O-OH 3.14Å; K230-Y233 VanDerWaalsContact O-OH 3.06Å; Y233-D241 VanDerWaalsContact N-CG 3.31Å; Y233-D241 PolarHBondContact N-OD1 3.21Å; Y233-D241 PolarHBondContact N-OD2 2.98Å; Y233-T246 HydrophobicContact CD2-CG2 3.99Å; Y233-T246 HydrophobicContact CE2-CG2 3.76Å
234A97.3Very high96.9Very high0 Ų046.7 Ų46.70%022%0.219CC..  trans-67.2132.7178.400000109.3F123 H221 F237 W240 D241F123-A234 HydrophobicContact CD2-CB 4.05Å; H221-A234 PolarHBondContact NE2-O 3.03Å; A234-F237 VanDerWaalsContact CB-O 3.24Å; A234-F237 WeakPolarHBondContact CB-O 3.5Å; A234-W240 HydrophobicContact CB-CB 4.33Å; A234-D241 WeakPolarHBondContact CB-OD2 3.32Å; A234-D241 PolarHBondContact N-OD2 2.82Å
235P93.8Very high96.9Very high18 Ų1848.3 Ų48.312%0.11724%0.243CC..SBendtrans-69.1-48.2179.728.6-33.9000110.4D119D119-P235 HydrophobicContact CB-CG 4.37Å; D119-P235 WeakPolarHBondContact OD1-CD 3.29Å; D119-P235 WeakPolarHBondContact OD1-CG 3.33Å
236Y95.9Very high96.9Very high6 Ų649 Ų492%0.02425%0.247CC..SBendtrans-117.2-55.2-171.7-49.6-40.4000112.3L115 F118 D119 N190 L193 D197 Y216 G217L115-Y236 HydrophobicContact CD2-CE2 4.49Å; F118-Y236 HydrophobicContact CD1-CD2 4.42Å; F118-Y236 AromaticContact CD1-CE2 3.52Å; F118-Y236 HydrophobicContact CD1-CE2 3.52Å; F118-Y236 AromaticContact CE1-CE2 3.74Å; F118-Y236 HydrophobicContact CE1-CE2 3.74Å; F118-Y236 AromaticContact CE1-CZ 3.79Å; F118-Y236 WeakPolarHBondContact CE1-OH 3.24Å; D119-Y236 HydrophobicContact CB-CD2 4.29Å; D119-Y236 WeakPolarHBondContact OD1-CA 3.42Å; D119-Y236 WeakPolarHBondContact OD1-CB 3.48Å; D119-Y236 PolarHBondContact OD1-N 3.44Å; N190-Y236 PolarHBondContact O-OH 3.24Å; N190-Y236 WeakPolarHBondContact OD1-CE2 3.47Å; N190-Y236 PolarHBondContact OD1-OH 3.38Å; N190-Y236 VanDerWaalsContact OD1-OH 3.11Å; L193-Y236 HydrophobicContact CB-CD1 3.64Å; L193-Y236 HydrophobicContact CB-CE1 3.39Å; L193-Y236 HydrophobicContact CB-CE2 4.44Å; L193-Y236 HydrophobicContact CB-CG 4.31Å; L193-Y236 HydrophobicContact CD1-CD1 3.92Å; L193-Y236 HydrophobicContact CD1-CD2 3.73Å; L193-Y236 HydrophobicContact CD1-CE1 4.21Å; L193-Y236 HydrophobicContact CD1-CE2 3.99Å; L193-Y236 HydrophobicContact CD1-CG 3.69Å; L193-Y236 HydrophobicContact CG-CD1 4.43Å; L193-Y236 HydrophobicContact CG-CE1 4.4Å; D197-Y236 WeakPolarHBondContact OD2-CD1 3.28Å; Y216-Y236 VanDerWaalsContact CD2-O 3.28Å; Y216-Y236 WeakPolarHBondContact CD2-O 3.37Å; G217-Y236 PolarHBondContact N-O 2.88Å
237F97.2Very high96.9Very high31 Ų3151 Ų5114%0.13626%0.258CS..BIsolated β-bridgetrans-105.8121.2-170.3-55.6-67.4000112.2L116 D119 I211 L215 A234 H239L116-F237 HydrophobicContact CD2-CD2 4.18Å; L116-F237 HydrophobicContact CD2-CE2 4.1Å; D119-F237 HydrophobicContact CB-CD2 4.11Å; D119-F237 PolarHBondContact OD1-N 2.88Å; I211-F237 HydrophobicContact CD1-CD1 4.24Å; I211-F237 HydrophobicContact CD1-CE1 3.62Å; L215-F237 CarbonylContact O-C 3.29Å; L215-F237 WeakPolarHBondContact O-CA 3.32Å; A234-F237 VanDerWaalsContact CB-O 3.24Å; A234-F237 WeakPolarHBondContact CB-O 3.5Å; F237-H239 WeakPolarHBondContact CB-ND1 3.44Å; F237-H239 PolarHBondContact O-N 3.46Å; F237-H239 PolarHBondContact O-ND1 3.18Å
238T97.1Very high96.9Very high4 Ų452.3 Ų52.33%0.02526%0.259CS..THydrogen-bonded Turntrans-69.1-6.9-171.570.30000114.9G214 L215 W240 D241 R242 L247G214-T238 WeakPolarHBondContact O-CG2 3.48Å; G214-T238 PolarHBondContact O-OG1 3.25Å; L215-T238 WeakPolarHBondContact CA-OG1 3.36Å; L215-T238 PolarHBondContact O-N 3.42Å; T238-W240 VanDerWaalsContact C-N 3.28Å; T238-W240 PolarHBondContact O-N 3.31Å; T238-D241 PolarHBondContact O-N 2.9Å; T238-R242 WeakPolarHBondContact O-CG 3.41Å; T238-R242 PolarHBondContact O-N 3.15Å; T238-R242 PolarHBondContact OG1-NE 3.26Å; T238-L247 HydrophobicContact CG2-CD1 4.32Å
239H96.5Very high96.6Very high55 Ų5553.5 Ų53.526%0.25528%0.275SS..Hα-helixtrans-58.2-37.4-177.268.5-68.2000113D119 F237 R242 L243D119-H239 IonicContact OD2-CE1 3.37Å; D119-H239 PolarHBondContact OD2-CE1 2.86Å; F237-H239 WeakPolarHBondContact CB-ND1 3.44Å; F237-H239 PolarHBondContact O-N 3.46Å; F237-H239 PolarHBondContact O-ND1 3.18Å; H239-R242 PolarHBondContact O-N 2.96Å; H239-L243 WeakPolarHBondContact O-CB 3.22Å; H239-L243 WeakPolarHBondContact O-CG 3.27Å; H239-L243 PolarHBondContact O-N 3.37Å
240W97.9Very high96.8Very high63 Ų6354.5 Ų54.524%0.23928%0.276CS..Hα-helixtrans-62.5-49.5175.2-67.6120.5000112D119 F120 F123 A234 T238 R242 L243 T244D119-W240 PolarHBondContact OD2-NE1 3.42Å; F120-W240 HydrophobicContact CB-CZ2 3.9Å; F120-W240 HydrophobicContact CD2-CD2 4.39Å; F120-W240 AromaticContact CD2-CE2 3.79Å; F120-W240 AromaticContact CD2-CH2 3.56Å; F120-W240 HydrophobicContact CD2-CH2 3.56Å; F120-W240 AromaticContact CD2-CZ2 3.36Å; F120-W240 HydrophobicContact CD2-CZ2 3.36Å; F120-W240 HydrophobicContact CD2-CZ3 4.15Å; F120-W240 AromaticContact CE2-CH2 3.97Å; F120-W240 HydrophobicContact CE2-CH2 3.97Å; F120-W240 HydrophobicContact CE2-CZ2 4.24Å; F120-W240 HydrophobicContact CE2-CZ3 4.33Å; F120-W240 HydrophobicContact CG-CH2 4.47Å; F120-W240 AromaticContact CG-CZ2 3.97Å; F120-W240 HydrophobicContact CG-CZ2 3.97Å; F123-W240 HydrophobicContact CB-CB 4.37Å; F123-W240 HydrophobicContact CB-CG 4.22Å; F123-W240 HydrophobicContact CD1-CB 3.65Å; F123-W240 HydrophobicContact CD1-CD2 4.14Å; F123-W240 HydrophobicContact CD1-CE3 4.47Å; F123-W240 AromaticContact CD1-CG 3.77Å; F123-W240 HydrophobicContact CD1-CG 3.77Å; F123-W240 HydrophobicContact CD2-CB 3.53Å; F123-W240 HydrophobicContact CD2-CG 4.26Å; F123-W240 HydrophobicContact CE1-CB 3.73Å; F123-W240 HydrophobicContact CE1-CD2 4.5Å; F123-W240 HydrophobicContact CE1-CE3 4.47Å; F123-W240 HydrophobicContact CE1-CG 4.22Å; F123-W240 HydrophobicContact CE2-CB 3.59Å; F123-W240 HydrophobicContact CG-CB 3.55Å; F123-W240 AromaticContact CG-CG 3.8Å; F123-W240 HydrophobicContact CG-CG 3.8Å; F123-W240 HydrophobicContact CZ-CB 3.7Å; A234-W240 HydrophobicContact CB-CB 4.33Å; T238-W240 VanDerWaalsContact C-N 3.28Å; T238-W240 PolarHBondContact O-N 3.31Å; W240-R242 VanDerWaalsContact C-N 3.26Å; W240-R242 PolarHBondContact O-N 3.23Å; W240-L243 HydrophobicContact CE3-CD1 4.2Å; W240-L243 HydrophobicContact CZ3-CD1 4.32Å; W240-L243 PolarHBondContact O-N 3.29Å; W240-L243 VanDerWaalsContact O-N 3.1Å; W240-T244 PolarHBondContact O-N 2.84Å; W240-T244 PolarHBondContact O-OG1 3.13Å
241D98.4Very high96.8Very high0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-61.4-33.8176.5-78.8-57.5000113.3H221 N232 Y233 A234 T238 G245 T246 L247H221-D241 IonicContact CE1-OD2 2.66Å; H221-D241 PolarHBondContact CE1-OD2 2.73Å; H221-D241 IonicContact NE2-OD2 3.43Å; H221-D241 PolarHBondContact NE2-OD2 3.49Å; N232-D241 WeakPolarHBondContact CA-OD2 3.33Å; Y233-D241 VanDerWaalsContact N-CG 3.31Å; Y233-D241 PolarHBondContact N-OD1 3.21Å; Y233-D241 PolarHBondContact N-OD2 2.98Å; A234-D241 WeakPolarHBondContact CB-OD2 3.32Å; A234-D241 PolarHBondContact N-OD2 2.82Å; T238-D241 PolarHBondContact O-N 2.9Å; D241-G245 CarbonylContact O-C 3.59Å; D241-G245 PolarHBondContact O-N 3.41Å; D241-T246 WeakPolarHBondContact CA-OG1 3.42Å; D241-T246 PolarHBondContact O-N 3.36Å; D241-T246 WeakPolarHBondContact OD1-CB 3.11Å; D241-T246 PolarHBondContact OD1-OG1 3.14Å; D241-L247 HydrophobicContact CB-CB 3.92Å; D241-L247 HydrophobicContact CB-CD1 4.38Å; D241-L247 PolarHBondContact O-N 2.9Å
242R97.5Very high96.8Very high116 Ų11646.8 Ų46.844%0.43825%0.25SC..Hα-helixtrans-65-45.9173-69.7171.1-173.1-97.56.1111.3F213 G214 T238 H239 W240 G245 L247F213-R242 PolarHBondContact O-NH2 3.14Å; G214-R242 PolarHBondContact O-NH2 2.96Å; T238-R242 WeakPolarHBondContact O-CG 3.41Å; T238-R242 PolarHBondContact O-N 3.15Å; T238-R242 PolarHBondContact OG1-NE 3.26Å; H239-R242 PolarHBondContact O-N 2.96Å; W240-R242 VanDerWaalsContact C-N 3.26Å; W240-R242 PolarHBondContact O-N 3.23Å; R242-G245 PolarHBondContact O-N 3.05Å; R242-L247 HydrophobicContact CG-CB 4.39Å; R242-L247 HydrophobicContact CG-CD2 3.54Å; R242-L247 HydrophobicContact CG-CG 4.49Å
243L97.6Very high96.7Very high130 Ų13049.6 Ų49.668%0.68126%0.264SS*.Hα-helixtrans-67-37.1-179.2-70.7170.1000112.1H239 W240H239-L243 WeakPolarHBondContact O-CB 3.22Å; H239-L243 WeakPolarHBondContact O-CG 3.27Å; H239-L243 PolarHBondContact O-N 3.37Å; W240-L243 HydrophobicContact CE3-CD1 4.2Å; W240-L243 HydrophobicContact CZ3-CD1 4.32Å; W240-L243 PolarHBondContact O-N 3.29Å; W240-L243 VanDerWaalsContact O-N 3.1Å
244T97.3Very high96.6Very high69 Ų6952.4 Ų52.442%0.42328%0.28SS..Hα-helixtrans-90.8-1-179.655.50000114.3F123 W240 T246F123-T244 HydrophobicContact CE1-CG2 4.05Å; F123-T244 HydrophobicContact CZ-CG2 3.69Å; F123-T244 WeakPolarHBondContact CZ-OG1 3.3Å; W240-T244 PolarHBondContact O-N 2.84Å; W240-T244 PolarHBondContact O-OG1 3.13Å; T244-T246 VanDerWaalsContact C-N 3.33Å; T244-T246 PolarHBondContact O-N 3.07Å; T244-T246 PolarHBondContact OG1-OG1 3.27Å
245G97.4Very high96.6Very high65 Ų6555.9 Ų55.967%0.6730%0.298SS*.THydrogen-bonded Turntrans68.629.5-179.200000113.7D241 R242D241-G245 CarbonylContact O-C 3.59Å; D241-G245 PolarHBondContact O-N 3.41Å; R242-G245 PolarHBondContact O-N 3.05Å
246T97.8Very high96.8Very high14 Ų1458.6 Ų58.69%0.08631%0.311CS..  trans-110.96.6-178.751.60000113.2Y231 N232 Y233 D241 T244Y231-T246 CarbonylContact C-O 3.58Å; Y231-T246 WeakPolarHBondContact CA-O 3.42Å; Y231-T246 VanDerWaalsContact CB-O 3.27Å; Y231-T246 WeakPolarHBondContact CB-O 3.24Å; N232-T246 PolarHBondContact N-O 3.13Å; Y233-T246 HydrophobicContact CD2-CG2 3.99Å; Y233-T246 HydrophobicContact CE2-CG2 3.76Å; D241-T246 WeakPolarHBondContact CA-OG1 3.42Å; D241-T246 PolarHBondContact O-N 3.36Å; D241-T246 WeakPolarHBondContact OD1-CB 3.11Å; D241-T246 PolarHBondContact OD1-OG1 3.14Å; T244-T246 VanDerWaalsContact C-N 3.33Å; T244-T246 PolarHBondContact O-N 3.07Å; T244-T246 PolarHBondContact OG1-OG1 3.27Å
247L98Very high96.8Very high48 Ų4862.6 Ų62.625%0.25133%0.333SS..  trans-74.4133.8175.7-177.766.7000111.9T238 D241 R242 T249T238-L247 HydrophobicContact CG2-CD1 4.32Å; D241-L247 HydrophobicContact CB-CB 3.92Å; D241-L247 HydrophobicContact CB-CD1 4.38Å; D241-L247 PolarHBondContact O-N 2.9Å; R242-L247 HydrophobicContact CG-CB 4.39Å; R242-L247 HydrophobicContact CG-CD2 3.54Å; R242-L247 HydrophobicContact CG-CG 4.49Å; L247-T249 HydrophobicContact CD1-CG2 4.37Å; L247-T249 HydrophobicContact CD2-CG2 4.13Å; L247-T249 HydrophobicContact CG-CG2 4.1Å
248Y96.8Very high96.8Very high97 Ų9765.3 Ų65.338%0.3835%0.35SS..  trans-133132.1170.9-173.4-88.2000110.2L224 Y231 N232L224-Y248 HydrophobicContact CD1-CD1 4.31Å; L224-Y248 HydrophobicContact CD2-CD1 4.44Å; L224-Y248 HydrophobicContact CD2-CE1 4.32Å; Y231-Y248 HydrophobicContact CD2-CD2 4.27Å; Y231-Y248 HydrophobicContact CD2-CG 4.29Å; Y231-Y248 HydrophobicContact CE2-CD2 4.41Å; Y231-Y248 HydrophobicContact CG-CG 4.41Å; N232-Y248 PolarHBondContact ND2-O 3.32Å; N232-Y248 PolarHBondContact OD1-N 3.33Å; N232-Y248 PolarHBondContact OD1-O 2.93Å
249T89.4Confident96.8Very high122 Ų12270.8 Ų70.875%0.74838%0.379SS*.  trans-123.50-170.957.70000113.7R220 L247R220-T249 PolarHBondContact NH2-OXT 2.92Å; L247-T249 HydrophobicContact CD1-CG2 4.37Å; L247-T249 HydrophobicContact CD2-CG2 4.13Å; L247-T249 HydrophobicContact CG-CG2 4.1Å

Retrieved 249 of 249 residues in 231.1 ms (Link to these results)

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