A0A087X605_POEFO Loading...

LMBR1 domain containing 2b

AlphaFold DB , UniProt , Accession A0A087X605, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.6Very low75.5Confident198 Ų19867.1 Ų67.198%0.97543%0.425SS*.  0-1.50-73.4-175.264.500114.4
2S61.5Low76.8Confident23 Ų2370.2 Ų70.216%0.16144%0.435CS..Hα-helixtrans-71.2-42.4-178.4170.40000114.8A4 A5 L6 S111 Y112S2-A4 VanDerWaalsContact C-N 3.31Å; S2-A4 PolarHBondContact O-N 3.49Å; S2-A5 PolarHBondContact O-N 3.44Å; S2-L6 PolarHBondContact O-N 2.93Å; S2-L6 VanDerWaalsContact O-N 3.09Å; S2-S111 PolarHBondContact OG-O 3.24Å; S2-Y112 WeakPolarHBondContact CB-O 3.45Å; S2-Y112 PolarHBondContact OG-O 3.36Å
3G66.4Low78Confident58 Ų5865 Ų6560%0.59840%0.403SS*.Hα-helixtrans-64.3-28.6-17700000115.4G7G3-G7 PolarHBondContact O-N 3.1Å
4A72.2Confident79.1Confident77 Ų7766.1 Ų66.164%0.63640%0.4SS*.Hα-helixtrans-74.8-37.2177.100000112.2S2 G7 L8S2-A4 VanDerWaalsContact C-N 3.31Å; S2-A4 PolarHBondContact O-N 3.49Å; A4-G7 PolarHBondContact O-N 3.26Å; A4-L8 WeakPolarHBondContact O-CB 3.49Å; A4-L8 PolarHBondContact O-N 3.44Å
5A73.4Confident80.2Confident44 Ų4469.9 Ų69.936%0.36441%0.409SS..Hα-helixtrans-66.9-47.7175.400000110.9S2 G7 L8 E9S2-A5 PolarHBondContact O-N 3.44Å; A5-G7 VanDerWaalsContact C-N 3.33Å; A5-G7 PolarHBondContact O-N 3.29Å; A5-L8 WeakPolarHBondContact O-CB 3.3Å; A5-L8 PolarHBondContact O-N 2.75Å; A5-L8 VanDerWaalsContact O-N 3.12Å; A5-E9 WeakPolarHBondContact O-CG 3.46Å; A5-E9 PolarHBondContact O-N 3.48Å
6L77.2Confident80.9Confident43 Ų4370.7 Ų70.723%0.22541%0.41CS..Hα-helixtrans-61.5-39.9174.7-178.1132.7000112.2S2 L8 E9 I10 I51 L54 I113S2-L6 PolarHBondContact O-N 2.93Å; S2-L6 VanDerWaalsContact O-N 3.09Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 3.41Å; L6-E9 PolarHBondContact O-N 3.43Å; L6-I10 HydrophobicContact CD2-CD1 3.58Å; L6-I10 HydrophobicContact CG-CD1 4.15Å; L6-I10 WeakPolarHBondContact O-CB 3.06Å; L6-I10 VanDerWaalsContact O-CG1 3.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.32Å; L6-I10 PolarHBondContact O-N 2.98Å; L6-I51 HydrophobicContact CD1-CD1 3.88Å; L6-I51 HydrophobicContact CG-CD1 4.39Å; L6-L54 HydrophobicContact CD1-CD1 3.92Å; L6-I113 HydrophobicContact CD1-CD1 3.57Å; L6-I113 HydrophobicContact CD1-CG1 4.23Å
7G81.5Confident81.6Confident28 Ų2866.5 Ų66.529%0.28939%0.386SS..Hα-helixtrans-61.9-40.4173.200000112.9G3 A4 A5 V11G3-G7 PolarHBondContact O-N 3.1Å; A4-G7 PolarHBondContact O-N 3.26Å; A5-G7 VanDerWaalsContact C-N 3.33Å; A5-G7 PolarHBondContact O-N 3.29Å; G7-V11 VanDerWaalsContact O-CG2 3.25Å; G7-V11 WeakPolarHBondContact O-CG2 3.34Å; G7-V11 PolarHBondContact O-N 3.08Å; G7-V11 VanDerWaalsContact O-N 3.07Å
8L85.5Confident82.2Confident105 Ų10565.8 Ų65.855%0.5538%0.38SS..Hα-helixtrans-67.4-43.1177.2-176.3134.9000111.8A4 A5 L6 V11 L12A4-L8 WeakPolarHBondContact O-CB 3.49Å; A4-L8 PolarHBondContact O-N 3.44Å; A5-L8 WeakPolarHBondContact O-CB 3.3Å; A5-L8 PolarHBondContact O-N 2.75Å; A5-L8 VanDerWaalsContact O-N 3.12Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 3.41Å; L8-V11 PolarHBondContact O-N 2.91Å; L8-L12 HydrophobicContact CD2-CD1 3.54Å; L8-L12 HydrophobicContact CD2-CG 4.24Å; L8-L12 HydrophobicContact CG-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.37Å; L8-L12 PolarHBondContact O-N 2.81Å
9E84.5Confident82.7Confident47 Ų4768.7 Ų68.722%0.2239%0.388CS..Hα-helixtrans-59.8-47.2174.5-72.9177.5-17800111.9A5 L6 V11 L12 V13A5-E9 WeakPolarHBondContact O-CG 3.46Å; A5-E9 PolarHBondContact O-N 3.48Å; L6-E9 PolarHBondContact O-N 3.43Å; E9-V11 VanDerWaalsContact C-N 3.29Å; E9-V11 PolarHBondContact O-N 3.41Å; E9-L12 PolarHBondContact O-N 2.82Å; E9-V13 VanDerWaalsContact O-CG2 3.29Å; E9-V13 WeakPolarHBondContact O-CG2 3.49Å; E9-V13 PolarHBondContact O-N 3.11Å
10I87.9Confident83Confident41 Ų4167.2 Ų67.221%0.2138%0.379CS..Hα-helixtrans-54.6-46.8175.4-79169.5000111.2L6 V13 F14 Y43 L47L6-I10 HydrophobicContact CD2-CD1 3.58Å; L6-I10 HydrophobicContact CG-CD1 4.15Å; L6-I10 WeakPolarHBondContact O-CB 3.06Å; L6-I10 VanDerWaalsContact O-CG1 3.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.32Å; L6-I10 PolarHBondContact O-N 2.98Å; I10-V13 PolarHBondContact O-N 2.98Å; I10-F14 PolarHBondContact O-N 3.42Å; I10-Y43 VanDerWaalsContact CG2-OH 3.23Å; I10-Y43 WeakPolarHBondContact CG2-OH 3.22Å; I10-L47 HydrophobicContact CG1-CD1 4.12Å
11V91.4Very high83.3Confident74 Ų7464.1 Ų64.145%0.44836%0.361SS..Hα-helixtrans-67-42.4179.6170.80000111.3G7 L8 E9 V13 F14 F15G7-V11 VanDerWaalsContact O-CG2 3.25Å; G7-V11 WeakPolarHBondContact O-CG2 3.34Å; G7-V11 PolarHBondContact O-N 3.08Å; G7-V11 VanDerWaalsContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 2.91Å; E9-V11 VanDerWaalsContact C-N 3.29Å; E9-V11 PolarHBondContact O-N 3.41Å; V11-V13 PolarHBondContact O-N 2.74Å; V11-F14 WeakPolarHBondContact O-CB 3.25Å; V11-F14 PolarHBondContact O-N 3.32Å; V11-F15 HydrophobicContact CG1-CD2 3.7Å; V11-F15 HydrophobicContact CG1-CE2 3.44Å; V11-F15 VanDerWaalsContact CG1-CE2 3.44Å; V11-F15 WeakPolarHBondContact O-CD2 3.48Å; V11-F15 PolarHBondContact O-N 2.88Å
12L91.1Very high85.3Confident104 Ų10458.9 Ų58.955%0.54533%0.334SS..Hα-helixtrans-61-43.8176.7-74.7175.8000111.8L8 E9 F14 F15 L16L8-L12 HydrophobicContact CD2-CD1 3.54Å; L8-L12 HydrophobicContact CD2-CG 4.24Å; L8-L12 HydrophobicContact CG-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.37Å; L8-L12 PolarHBondContact O-N 2.81Å; E9-L12 PolarHBondContact O-N 2.82Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.14Å; L12-F15 PolarHBondContact O-N 2.79Å; L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 PolarHBondContact O-N 3.31Å
13V92.5Very high86.5Confident3 Ų363.9 Ų63.92%0.01835%0.35CS..Hα-helixtrans-64.4-37.8177.5175.60000111.2E9 I10 V11 L16 A17 Y43 F46 L47 F50E9-V13 VanDerWaalsContact O-CG2 3.29Å; E9-V13 WeakPolarHBondContact O-CG2 3.49Å; E9-V13 PolarHBondContact O-N 3.11Å; I10-V13 PolarHBondContact O-N 2.98Å; V11-V13 PolarHBondContact O-N 2.74Å; V13-L16 PolarHBondContact O-N 3.16Å; V13-A17 WeakPolarHBondContact O-CB 3.45Å; V13-A17 PolarHBondContact O-N 3.38Å; V13-Y43 HydrophobicContact CB-CE2 4.45Å; V13-Y43 HydrophobicContact CG1-CD2 4.01Å; V13-Y43 HydrophobicContact CG1-CE2 4.27Å; V13-F46 HydrophobicContact CG1-CB 3.68Å; V13-L47 HydrophobicContact CG1-CB 4.19Å; V13-F50 HydrophobicContact CG2-CD2 3.52Å; V13-F50 HydrophobicContact CG2-CE2 3.44Å; V13-F50 VanDerWaalsContact CG2-CE2 3.44Å; V13-F50 HydrophobicContact CG2-CG 4.48Å; V13-F50 HydrophobicContact CG2-CZ 4.35Å
14F94.2Very high87.3Confident81 Ų8163.1 Ų63.136%0.35533%0.329SS..Hα-helixtrans-60.9-47.4174178.9-96.9000112I10 V11 L12 L16 A17 L18 L39 Y43I10-F14 PolarHBondContact O-N 3.42Å; V11-F14 WeakPolarHBondContact O-CB 3.25Å; V11-F14 PolarHBondContact O-N 3.32Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.14Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.86Å; F14-A17 PolarHBondContact O-N 3.23Å; F14-L18 HydrophobicContact CE1-CD2 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 3.17Å; F14-L39 HydrophobicContact CE2-CD2 3.84Å; F14-L39 HydrophobicContact CE2-CG 4.33Å; F14-L39 HydrophobicContact CZ-CD2 4.03Å; F14-Y43 HydrophobicContact CB-CD2 3.97Å; F14-Y43 HydrophobicContact CB-CE2 3.89Å; F14-Y43 HydrophobicContact CD2-CD2 4.26Å
15F94.4Very high87.8Confident123 Ų12359.4 Ų59.454%0.53930%0.299SS..Hα-helixtrans-66.2-35.1176.8-75.7-64.4000112.7V11 L12 L18 F19V11-F15 HydrophobicContact CG1-CD2 3.7Å; V11-F15 HydrophobicContact CG1-CE2 3.44Å; V11-F15 VanDerWaalsContact CG1-CE2 3.44Å; V11-F15 WeakPolarHBondContact O-CD2 3.48Å; V11-F15 PolarHBondContact O-N 2.88Å; L12-F15 PolarHBondContact O-N 2.79Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; F15-L18 PolarHBondContact O-N 3.05Å; F15-F19 VanDerWaalsContact O-CB 3.3Å; F15-F19 WeakPolarHBondContact O-CB 3.37Å; F15-F19 PolarHBondContact O-N 2.79Å
16L91.6Very high88.3Confident82 Ų8258.4 Ų58.443%0.42929%0.287SS..Hα-helixtrans-61.8-48.5172.8177.966.2000111.3L12 V13 F14 L18 F19 L20L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 PolarHBondContact O-N 3.31Å; V13-L16 PolarHBondContact O-N 3.16Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.86Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.34Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-L20 HydrophobicContact CD1-CD1 4.33Å; L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.19Å
17A92.6Very high88.7Confident0 Ų060.3 Ų60.30%029%0.294CS..Hα-helixtrans-61.2-41.3177.100000111.3V13 F14 L20 L21 L39 W42 F46V13-A17 WeakPolarHBondContact O-CB 3.45Å; V13-A17 PolarHBondContact O-N 3.38Å; F14-A17 PolarHBondContact O-N 3.23Å; A17-L20 PolarHBondContact O-N 3.12Å; A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 PolarHBondContact O-N 2.97Å; A17-L39 HydrophobicContact CB-CD1 3.94Å; A17-W42 HydrophobicContact CB-CB 4.41Å; A17-F46 HydrophobicContact CB-CD2 4.12Å; A17-F46 HydrophobicContact CB-CE2 4.43Å
18L93.4Very high88.6Confident54 Ų5470.5 Ų70.528%0.28332%0.323SS..Hα-helixtrans-65.7-42.4177.2-172.466.9000112.3F14 F15 L16 L21 H22 F27 L39F14-L18 HydrophobicContact CE1-CD2 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 3.17Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; F15-L18 PolarHBondContact O-N 3.05Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-H22 WeakPolarHBondContact O-CB 3.33Å; L18-H22 PolarHBondContact O-N 3Å; L18-F27 HydrophobicContact CD1-CE2 4.13Å; L18-F27 HydrophobicContact CD1-CZ 3.98Å; L18-L39 HydrophobicContact CB-CD1 4.11Å; L18-L39 HydrophobicContact CD1-CD1 4.17Å; L18-L39 HydrophobicContact CD1-CD2 4.04Å
19F91.5Very high88.2Confident121 Ų12173.2 Ų73.253%0.53133%0.331SS..Hα-helixtrans-63-45.7176.5172.1-99.5000111.7F15 L16 L21 H22 R23F15-F19 VanDerWaalsContact O-CB 3.3Å; F15-F19 WeakPolarHBondContact O-CB 3.37Å; F15-F19 PolarHBondContact O-N 2.79Å; L16-F19 PolarHBondContact O-N 2.84Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-H22 PolarHBondContact O-N 3.2Å; F19-R23 PolarHBondContact O-N 3.34Å
20L88.2Confident88.1Confident38 Ų3872.2 Ų72.220%0.19933%0.326CS..Hα-helixtrans-63.1-43.5175.4-70.6172.9000110.7L16 A17 H22 R23 Y24 W42 F46L16-L20 HydrophobicContact CD1-CD1 4.33Å; L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.19Å; A17-L20 PolarHBondContact O-N 3.12Å; L20-H22 VanDerWaalsContact C-N 3.28Å; L20-H22 PolarHBondContact O-N 3.26Å; L20-R23 WeakPolarHBondContact O-CB 3.5Å; L20-R23 PolarHBondContact O-N 3.32Å; L20-R23 VanDerWaalsContact O-N 3.1Å; L20-Y24 HydrophobicContact CD2-CE2 4.44Å; L20-Y24 VanDerWaalsContact O-CD2 3.25Å; L20-Y24 WeakPolarHBondContact O-CD2 3.4Å; L20-Y24 PolarHBondContact O-N 3.47Å; L20-Y24 VanDerWaalsContact O-N 3.1Å; L20-W42 HydrophobicContact CB-CE3 4.15Å; L20-W42 HydrophobicContact CB-CZ3 3.82Å; L20-F46 HydrophobicContact CD1-CD2 4.49Å; L20-F46 HydrophobicContact CD1-CE2 3.58Å; L20-F46 HydrophobicContact CD1-CZ 3.87Å
21L89.9Confident87.9Confident2 Ų273.1 Ų73.11%0.0133%0.329CS..Hα-helixtrans-61.6-40.7178.5-176.162.2000111A17 L18 F19 Y24 G25 F27 L35 T38 L39 W42 L488A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 3.31Å; F19-L21 VanDerWaalsContact C-N 3.34Å; L21-Y24 PolarHBondContact O-N 2.95Å; L21-G25 WeakPolarHBondContact O-CA 3.41Å; L21-G25 PolarHBondContact O-N 3.46Å; L21-F27 HydrophobicContact CB-CE1 4.37Å; L21-F27 HydrophobicContact CB-CZ 4.49Å; L21-F27 HydrophobicContact CD2-CE1 4.23Å; L21-F27 HydrophobicContact CD2-CZ 4.44Å; L21-F27 HydrophobicContact CG-CE1 3.84Å; L21-F27 HydrophobicContact CG-CZ 4.3Å; L21-L35 HydrophobicContact CD1-CD2 4.29Å; L21-L35 HydrophobicContact CD2-CB 4.46Å; L21-L35 HydrophobicContact CD2-CD2 4.34Å; L21-L35 WeakPolarHBondContact CD2-O 3.24Å; L21-L35 HydrophobicContact CG-CD2 4.31Å; L21-T38 HydrophobicContact CD1-CG2 3.9Å; L21-L39 HydrophobicContact CD2-CB 3.69Å; L21-L39 HydrophobicContact CD2-CD1 4.06Å; L21-L39 HydrophobicContact CD2-CG 4.35Å; L21-W42 HydrophobicContact CB-CE3 4.35Å; L21-W42 HydrophobicContact CB-CZ3 4.19Å; L21-W42 HydrophobicContact CD1-CZ3 4.4Å; L21-L488 HydrophobicContact CD1-CD1 3.86Å; L21-L488 HydrophobicContact CD1-CD2 3.68Å; L21-L488 HydrophobicContact CD1-CG 4.18Å
22H89.5Confident87.7Confident88 Ų8880.3 Ų80.341%0.40735%0.348SS..Hα-helixtrans-62.1-45.6173.1-176.9-95.7000110.9L18 F19 L20 Y24 F27 H481L18-H22 WeakPolarHBondContact O-CB 3.33Å; L18-H22 PolarHBondContact O-N 3Å; F19-H22 PolarHBondContact O-N 3.2Å; L20-H22 VanDerWaalsContact C-N 3.28Å; L20-H22 PolarHBondContact O-N 3.26Å; H22-Y24 VanDerWaalsContact C-N 3.29Å; H22-Y24 PolarHBondContact O-N 3.39Å; H22-F27 VanDerWaalsContact CA-CE1 3.49Å; H22-F27 HydrophobicContact CB-CE1 4.04Å; H22-F27 HydrophobicContact CB-CE2 4.23Å; H22-F27 HydrophobicContact CB-CZ 3.68Å; H22-H481 AromaticContact CE1-CE1 3.57Å; H22-H481 AromaticContact CE1-NE2 3.49Å; H22-H481 PolarHBondContact CE1-NE2 2.9Å; H22-H481 AromaticContact ND1-NE2 3.67Å; H22-H481 AromaticContact NE2-CE1 3.74Å; H22-H481 AromaticContact NE2-NE2 3.98Å; H22-H481 PolarHBondContact O-CD2 3.34Å; H22-H481 PolarHBondContact O-NE2 3.46Å
23R87.2Confident87.5Confident128 Ų12879.9 Ų79.948%0.48335%0.345SS..Hα-helixtrans-59-36.2-179.5-177.4175-178154.92.5113.8F19 L20 H480 H481F19-R23 PolarHBondContact O-N 3.34Å; L20-R23 WeakPolarHBondContact O-CB 3.5Å; L20-R23 PolarHBondContact O-N 3.32Å; L20-R23 VanDerWaalsContact O-N 3.1Å; R23-H480 PolarHBondContact O-N 3.12Å; R23-H480 VanDerWaalsContact O-N 3.17Å; R23-H481 PolarHBondContact O-N 3.38Å
24Y84.1Confident87.2Confident42 Ų4279.8 Ų79.817%0.16534%0.344CS..Hα-helixtrans-98.8-37.7-175.8-71.4-76.5000113.8L20 L21 H22 W42 L477 H481 T483L20-Y24 HydrophobicContact CD2-CE2 4.44Å; L20-Y24 VanDerWaalsContact O-CD2 3.25Å; L20-Y24 WeakPolarHBondContact O-CD2 3.4Å; L20-Y24 PolarHBondContact O-N 3.47Å; L20-Y24 VanDerWaalsContact O-N 3.1Å; L21-Y24 PolarHBondContact O-N 2.95Å; H22-Y24 VanDerWaalsContact C-N 3.29Å; H22-Y24 PolarHBondContact O-N 3.39Å; Y24-W42 HydrophobicContact CD2-CH2 4.15Å; Y24-W42 HydrophobicContact CD2-CZ3 4.47Å; Y24-L477 HydrophobicContact CD1-CB 4.04Å; Y24-L477 HydrophobicContact CD1-CD2 4.01Å; Y24-L477 HydrophobicContact CE1-CB 4.2Å; Y24-L477 HydrophobicContact CE1-CD2 4.48Å; Y24-L477 HydrophobicContact CG-CD2 4.04Å; Y24-H481 CarbonylContact O-C 3.57Å; Y24-H481 WeakPolarHBondContact O-CA 3.16Å; Y24-T483 WeakPolarHBondContact O-CB 3.31Å; Y24-T483 PolarHBondContact O-N 3.36Å; Y24-T483 PolarHBondContact O-OG1 3.14Å
25G82.7Confident87.1Confident0 Ų076.8 Ų76.80%033%0.332CS..SBendtrans-104.9146-176.200000113.7L21L21-G25 WeakPolarHBondContact O-CA 3.41Å; L21-G25 PolarHBondContact O-N 3.46Å
26D83.4Confident86.9Confident23 Ų2377 Ų7712%0.12333%0.333CS..  trans-89.2110.7174.4-169.8-31.4000110.9R28 K29 Q30 H481D26-R28 PolarHBondContact O-N 3.41Å; D26-R28 WeakPolarHBondContact OD1-CB 3.45Å; D26-R28 PolarHBondContact OD1-N 3.13Å; D26-K29 HydrophobicContact CB-CB 4.05Å; D26-K29 HydrophobicContact CB-CG 4.47Å; D26-K29 PolarHBondContact O-N 3.12Å; D26-K29 PolarHBondContact OD1-N 3.5Å; D26-K29 VanDerWaalsContact OD1-N 3.17Å; D26-K29 WeakPolarHBondContact OD2-CD 3.31Å; D26-K29 WeakPolarHBondContact OD2-CE 3.27Å; D26-K29 VanDerWaalsContact OD2-CG 3.26Å; D26-K29 WeakPolarHBondContact OD2-CG 3.02Å; D26-Q30 VanDerWaalsContact O-CB 3.26Å; D26-Q30 WeakPolarHBondContact O-CB 3.34Å; D26-Q30 WeakPolarHBondContact O-CG 3.36Å; D26-Q30 PolarHBondContact O-N 3.24Å; D26-H481 HydrophobicContact CB-CB 3.88Å
27F84.9Confident87Confident82 Ų8273 Ų7336%0.3631%0.312SS..THydrogen-bonded Turntrans-66.7-22.1-178-72.612.1000113.7L18 L21 H22 L35L18-F27 HydrophobicContact CD1-CE2 4.13Å; L18-F27 HydrophobicContact CD1-CZ 3.98Å; L21-F27 HydrophobicContact CB-CE1 4.37Å; L21-F27 HydrophobicContact CB-CZ 4.49Å; L21-F27 HydrophobicContact CD2-CE1 4.23Å; L21-F27 HydrophobicContact CD2-CZ 4.44Å; L21-F27 HydrophobicContact CG-CE1 3.84Å; L21-F27 HydrophobicContact CG-CZ 4.3Å; H22-F27 VanDerWaalsContact CA-CE1 3.49Å; H22-F27 HydrophobicContact CB-CE1 4.04Å; H22-F27 HydrophobicContact CB-CE2 4.23Å; H22-F27 HydrophobicContact CB-CZ 3.68Å; F27-L35 HydrophobicContact CB-CD1 4.41Å; F27-L35 HydrophobicContact CD1-CD1 4.19Å; F27-L35 HydrophobicContact CD1-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD2 4.13Å; F27-L35 HydrophobicContact CG-CD1 4.46Å
28R80.6Confident86.9Confident243 Ų24373 Ų7392%0.91731%0.312SS*.THydrogen-bonded Turntrans-89.1-36-178.6-63.6-175.2-179.4-175.21.1111.7D26D26-R28 PolarHBondContact O-N 3.41Å; D26-R28 WeakPolarHBondContact OD1-CB 3.45Å; D26-R28 PolarHBondContact OD1-N 3.13Å
29K76.7Confident87Confident162 Ų16271.5 Ų71.570%0.70430%0.304SS*.THydrogen-bonded Turntrans-89.2-33.1-177.3-65.7-176.7-171.91760113.4D26D26-K29 HydrophobicContact CB-CB 4.05Å; D26-K29 HydrophobicContact CB-CG 4.47Å; D26-K29 PolarHBondContact O-N 3.12Å; D26-K29 PolarHBondContact OD1-N 3.5Å; D26-K29 VanDerWaalsContact OD1-N 3.17Å; D26-K29 WeakPolarHBondContact OD2-CD 3.31Å; D26-K29 WeakPolarHBondContact OD2-CE 3.27Å; D26-K29 VanDerWaalsContact OD2-CG 3.26Å; D26-K29 WeakPolarHBondContact OD2-CG 3.02Å
30Q82.9Confident87.1Confident25 Ų2568.3 Ų68.312%0.11729%0.292CS..SBendtrans-81.1151.5-176.3-65-175.7-12.500112.1D26 L35 T483 L488D26-Q30 VanDerWaalsContact O-CB 3.26Å; D26-Q30 WeakPolarHBondContact O-CB 3.34Å; D26-Q30 WeakPolarHBondContact O-CG 3.36Å; D26-Q30 PolarHBondContact O-N 3.24Å; Q30-L35 HydrophobicContact CB-CD1 4.22Å; Q30-L35 HydrophobicContact CB-CD2 4.17Å; Q30-L35 HydrophobicContact CB-CG 4.05Å; Q30-T483 PolarHBondContact NE2-O 3.22Å; Q30-L488 VanDerWaalsContact OE1-CD2 3.28Å
31Q83.7Confident87.4Confident61 Ų6166.5 Ų66.529%0.28528%0.283SS..  trans-68.2137.6177-63.1171.7-9.100110.2M33 V34 L35 Y143Q31-M33 PolarHBondContact O-N 3.48Å; Q31-M33 VanDerWaalsContact O-N 3.15Å; Q31-V34 HydrophobicContact CB-CG2 3.85Å; Q31-V34 WeakPolarHBondContact O-CB 3.45Å; Q31-V34 PolarHBondContact O-N 2.77Å; Q31-L35 PolarHBondContact O-N 3.42Å; Q31-Y143 VanDerWaalsContact OE1-CD1 3.25Å
32R87.5Confident87.6Confident224 Ų22466.4 Ų66.485%0.84528%0.282SS*.Hα-helixtrans-55.3-36.7-178.4-65-176.6179.9175.4-0.4113.4L35 F36R32-L35 PolarHBondContact O-N 3.41Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 3.22Å
33M86.4Confident87.8Confident95 Ų9564.1 Ų64.147%0.46827%0.27SS..Hα-helixtrans-63.4-40.2177.3-73.4-159.8-6900112.7Q31 F36 G37 M140 Y143Q31-M33 PolarHBondContact O-N 3.48Å; Q31-M33 VanDerWaalsContact O-N 3.15Å; M33-F36 PolarHBondContact O-N 2.89Å; M33-G37 PolarHBondContact O-N 2.98Å; M33-M140 HydrophobicContact CB-CE 4.07Å; M33-M140 WeakPolarHBondContact O-CE 3.41Å; M33-M140 VanDerWaalsContact O-SD 3.33Å; M33-Y143 HydrophobicContact CE-CE1 4.14Å
34V86.6Confident88.1Confident1 Ų158.6 Ų58.61%0.00625%0.25CS..Hα-helixtrans-62.6-47.3177.2175.40000110.2Q31 T38 A144 A485 L488 Q489Q31-V34 HydrophobicContact CB-CG2 3.85Å; Q31-V34 WeakPolarHBondContact O-CB 3.45Å; Q31-V34 PolarHBondContact O-N 2.77Å; V34-T38 WeakPolarHBondContact O-CB 3.39Å; V34-T38 PolarHBondContact O-N 3.49Å; V34-T38 PolarHBondContact O-OG1 2.9Å; V34-A144 HydrophobicContact CG2-CB 4.17Å; V34-A485 HydrophobicContact CG1-CB 3.68Å; V34-A485 HydrophobicContact CG2-CB 4.22Å; V34-L488 HydrophobicContact CG1-CD2 4.36Å; V34-Q489 HydrophobicContact CG1-CG 3.82Å; V34-Q489 VanDerWaalsContact CG2-NE2 3.35Å
35L90.4Very high88.4Confident19 Ų1956.6 Ų56.610%0.09924%0.243CC..Hα-helixtrans-63.5-47.1179.6-67.8168.7000111.2L21 F27 Q30 Q31 R32 T38 L39 L488L21-L35 HydrophobicContact CD1-CD2 4.29Å; L21-L35 HydrophobicContact CD2-CB 4.46Å; L21-L35 HydrophobicContact CD2-CD2 4.34Å; L21-L35 WeakPolarHBondContact CD2-O 3.24Å; L21-L35 HydrophobicContact CG-CD2 4.31Å; F27-L35 HydrophobicContact CB-CD1 4.41Å; F27-L35 HydrophobicContact CD1-CD1 4.19Å; F27-L35 HydrophobicContact CD1-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD2 4.13Å; F27-L35 HydrophobicContact CG-CD1 4.46Å; Q30-L35 HydrophobicContact CB-CD1 4.22Å; Q30-L35 HydrophobicContact CB-CD2 4.17Å; Q30-L35 HydrophobicContact CB-CG 4.05Å; Q31-L35 PolarHBondContact O-N 3.42Å; R32-L35 PolarHBondContact O-N 3.41Å; L35-T38 PolarHBondContact O-N 3.08Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.31Å; L35-L39 PolarHBondContact O-N 2.86Å; L35-L488 HydrophobicContact CD2-CD2 4.41Å
36F92Very high88.9Confident126 Ų12657.6 Ų57.655%0.55325%0.247SC*.Hα-helixtrans-62.6-47.8178.9177.2-99.4000112.4R32 M33 T38 L39 L40R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 3.22Å; M33-F36 PolarHBondContact O-N 2.89Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 3.01Å; F36-L39 PolarHBondContact O-N 3.29Å; F36-L40 HydrophobicContact CE1-CD2 4.31Å; F36-L40 HydrophobicContact CZ-CD2 4.39Å; F36-L40 WeakPolarHBondContact O-CB 3.27Å; F36-L40 PolarHBondContact O-N 3.15Å
37G92.1Very high89.3Confident0 Ų056.6 Ų56.60%024%0.242CC..Hα-helixtrans-60.8-40.6178.800000112.3M33 A41M33-G37 PolarHBondContact O-N 2.98Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 2.99Å; G37-A41 VanDerWaalsContact O-N 3.07Å
38T92.1Very high89.6Confident0 Ų052.7 Ų52.70%022%0.224CC..Hα-helixtrans-68.8-45.6176.3-49.80000111.5L21 V34 L35 F36 L40 A41 W42 L488L21-T38 HydrophobicContact CD1-CG2 3.9Å; V34-T38 WeakPolarHBondContact O-CB 3.39Å; V34-T38 PolarHBondContact O-N 3.49Å; V34-T38 PolarHBondContact O-OG1 2.9Å; L35-T38 PolarHBondContact O-N 3.08Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 3.01Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 3.39Å; T38-A41 PolarHBondContact O-N 3.47Å; T38-W42 HydrophobicContact CG2-CD2 3.95Å; T38-W42 HydrophobicContact CG2-CG 4.19Å; T38-W42 HydrophobicContact CG2-CZ2 3.95Å; T38-W42 WeakPolarHBondContact O-CB 3.17Å; T38-W42 PolarHBondContact O-N 3.07Å; T38-L488 HydrophobicContact CG2-CD1 3.75Å; T38-L488 HydrophobicContact CG2-CD2 4.15Å; T38-L488 HydrophobicContact CG2-CG 3.52Å
39L94.6Very high90.1Very high22 Ų2241.6 Ų41.612%0.11518%0.183CC..Hα-helixtrans-56-48.2178.4-175.960.5000110.7F14 A17 L18 L21 L35 F36 W42 Y43F14-L39 HydrophobicContact CE2-CD2 3.84Å; F14-L39 HydrophobicContact CE2-CG 4.33Å; F14-L39 HydrophobicContact CZ-CD2 4.03Å; A17-L39 HydrophobicContact CB-CD1 3.94Å; L18-L39 HydrophobicContact CB-CD1 4.11Å; L18-L39 HydrophobicContact CD1-CD1 4.17Å; L18-L39 HydrophobicContact CD1-CD2 4.04Å; L21-L39 HydrophobicContact CD2-CB 3.69Å; L21-L39 HydrophobicContact CD2-CD1 4.06Å; L21-L39 HydrophobicContact CD2-CG 4.35Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.31Å; L35-L39 PolarHBondContact O-N 2.86Å; F36-L39 PolarHBondContact O-N 3.29Å; L39-W42 PolarHBondContact O-N 3.06Å; L39-Y43 WeakPolarHBondContact O-CB 3.43Å; L39-Y43 PolarHBondContact O-N 2.93Å
40L94.3Very high90.8Very high53 Ų5336.6 Ų36.628%0.27716%0.162SC..Hα-helixtrans-63-44.1180-17462.6000111.2F36 T38 L44 L132F36-L40 HydrophobicContact CE1-CD2 4.31Å; F36-L40 HydrophobicContact CZ-CD2 4.39Å; F36-L40 WeakPolarHBondContact O-CB 3.27Å; F36-L40 PolarHBondContact O-N 3.15Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 3.39Å; L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CG 4.43Å; L40-L44 HydrophobicContact CG-CD1 4.23Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.25Å; L40-L132 HydrophobicContact CB-CD1 4.48Å; L40-L132 HydrophobicContact CD2-CD1 3.99Å; L40-L132 HydrophobicContact CD2-CD2 4.22Å; L40-L132 HydrophobicContact CG-CD1 3.92Å
41A93.9Very high91.1Very high0 Ų035.6 Ų35.60%016%0.157CC..Hα-helixtrans-60.9-49.917700000112.4G37 T38 L44 C45 L132 L137 C496G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 2.99Å; G37-A41 VanDerWaalsContact O-N 3.07Å; T38-A41 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 3.33Å; A41-C45 PolarHBondContact O-N 3.26Å; A41-C45 VanDerWaalsContact O-N 3.16Å; A41-C45 PolarHBondContact O-SG 3.18Å; A41-L132 HydrophobicContact CB-CD1 4.49Å; A41-L137 HydrophobicContact CB-CD1 4.08Å; A41-C496 VanDerWaalsContact CB-SG 3.57Å
42W93.6Very high91.4Very high0 Ų032.7 Ų32.70%014%0.144CC..Hα-helixtrans-64.6-42.8179.6-71.910.2000111.9A17 L20 L21 Y24 T38 L39 C45 F46 F467 L477 L488 S491 F495A17-W42 HydrophobicContact CB-CB 4.41Å; L20-W42 HydrophobicContact CB-CE3 4.15Å; L20-W42 HydrophobicContact CB-CZ3 3.82Å; L21-W42 HydrophobicContact CB-CE3 4.35Å; L21-W42 HydrophobicContact CB-CZ3 4.19Å; L21-W42 HydrophobicContact CD1-CZ3 4.4Å; Y24-W42 HydrophobicContact CD2-CH2 4.15Å; Y24-W42 HydrophobicContact CD2-CZ3 4.47Å; T38-W42 HydrophobicContact CG2-CD2 3.95Å; T38-W42 HydrophobicContact CG2-CG 4.19Å; T38-W42 HydrophobicContact CG2-CZ2 3.95Å; T38-W42 WeakPolarHBondContact O-CB 3.17Å; T38-W42 PolarHBondContact O-N 3.07Å; L39-W42 PolarHBondContact O-N 3.06Å; W42-C45 PolarHBondContact O-N 3.16Å; W42-F46 HydrophobicContact CB-CD2 4.4Å; W42-F46 HydrophobicContact CB-CE2 3.94Å; W42-F46 HydrophobicContact CB-CZ 4.4Å; W42-F46 VanDerWaalsContact O-CD2 3.32Å; W42-F46 WeakPolarHBondContact O-CD2 3.49Å; W42-F46 VanDerWaalsContact O-CG 3.28Å; W42-F46 WeakPolarHBondContact O-CG 3.21Å; W42-F46 PolarHBondContact O-N 2.91Å; W42-F467 HydrophobicContact CH2-CE1 4.49Å; W42-F467 HydrophobicContact CZ2-CE1 4.31Å; W42-L477 HydrophobicContact CH2-CD2 4.16Å; W42-L477 HydrophobicContact CZ2-CD2 4.05Å; W42-L488 HydrophobicContact CH2-CD1 3.71Å; W42-L488 HydrophobicContact CZ2-CD1 3.63Å; W42-S491 WeakPolarHBondContact CZ2-OG 3.44Å; W42-S491 PolarHBondContact NE1-OG 3.01Å; W42-F495 AromaticContact CD1-CD2 3.48Å; W42-F495 VanDerWaalsContact CD1-CD2 3.48Å; W42-F495 AromaticContact CD1-CE2 3.85Å; W42-F495 HydrophobicContact CG-CD2 4.26Å; W42-F495 HydrophobicContact CG-CE2 4.41Å; W42-F495 AromaticContact NE1-CD2 3.6Å; W42-F495 AromaticContact NE1-CE2 3.6Å
43Y94.2Very high91.6Very high41 Ų4122.1 Ų22.116%0.16110%0.104CC..Hα-helixtrans-57.7-51177168.4-109.4000111.9I10 V13 F14 L39 C45 F46 L47I10-Y43 VanDerWaalsContact CG2-OH 3.23Å; I10-Y43 WeakPolarHBondContact CG2-OH 3.22Å; V13-Y43 HydrophobicContact CB-CE2 4.45Å; V13-Y43 HydrophobicContact CG1-CD2 4.01Å; V13-Y43 HydrophobicContact CG1-CE2 4.27Å; F14-Y43 HydrophobicContact CB-CD2 3.97Å; F14-Y43 HydrophobicContact CB-CE2 3.89Å; F14-Y43 HydrophobicContact CD2-CD2 4.26Å; L39-Y43 WeakPolarHBondContact O-CB 3.43Å; L39-Y43 PolarHBondContact O-N 2.93Å; Y43-C45 VanDerWaalsContact C-N 3.26Å; Y43-C45 PolarHBondContact O-N 3.39Å; Y43-F46 PolarHBondContact O-N 3.47Å; Y43-L47 HydrophobicContact CE1-CD1 4.15Å; Y43-L47 HydrophobicContact CE2-CD1 3.94Å; Y43-L47 WeakPolarHBondContact O-CB 3.26Å; Y43-L47 PolarHBondContact O-N 3.13Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.46Å
44L92.4Very high91.7Very high12 Ų1217.8 Ų17.86%0.0638%0.083CC..Hα-helixtrans-60.5-36.5178.6-68.5171.8000112.2L40 A41 V125 T128 L132L40-L44 HydrophobicContact CD1-CD1 4.39Å; L40-L44 HydrophobicContact CD1-CG 4.43Å; L40-L44 HydrophobicContact CG-CD1 4.23Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.25Å; A41-L44 PolarHBondContact O-N 3.33Å; L44-V125 HydrophobicContact CD2-CG1 4.46Å; L44-V125 HydrophobicContact CD2-CG2 4.15Å; L44-T128 VanDerWaalsContact CD1-OG1 3.31Å; L44-T128 WeakPolarHBondContact CD1-OG1 3.23Å; L44-L132 HydrophobicContact CD1-CD1 3.68Å
45C91.9Very high91.9Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-76.8-35.7-180-61.50000113.1A41 W42 Y43 L47 I48 Y463 F495 C496 T499A41-C45 PolarHBondContact O-N 3.26Å; A41-C45 VanDerWaalsContact O-N 3.16Å; A41-C45 PolarHBondContact O-SG 3.18Å; W42-C45 PolarHBondContact O-N 3.16Å; Y43-C45 VanDerWaalsContact C-N 3.26Å; Y43-C45 PolarHBondContact O-N 3.39Å; C45-L47 VanDerWaalsContact C-N 3.3Å; C45-I48 WeakPolarHBondContact O-CG1 3.43Å; C45-Y463 PolarHBondContact O-OH 2.8Å; C45-F495 HydrophobicContact CB-CB 4.01Å; C45-F495 VanDerWaalsContact SG-CB 3.55Å; C45-C496 PolarHBondContact SG-N 3.47Å; C45-T499 PolarHBondContact SG-OG1 3.34Å
46F92Very high91.8Very high20 Ų2017 Ų179%0.0888%0.078CC..Hα-helixtrans-74.9-26.6176.2-62.5-27.9000112.5V13 A17 L20 W42 Y43 I48 V49 Y463V13-F46 HydrophobicContact CG1-CB 3.68Å; A17-F46 HydrophobicContact CB-CD2 4.12Å; A17-F46 HydrophobicContact CB-CE2 4.43Å; L20-F46 HydrophobicContact CD1-CD2 4.49Å; L20-F46 HydrophobicContact CD1-CE2 3.58Å; L20-F46 HydrophobicContact CD1-CZ 3.87Å; W42-F46 HydrophobicContact CB-CD2 4.4Å; W42-F46 HydrophobicContact CB-CE2 3.94Å; W42-F46 HydrophobicContact CB-CZ 4.4Å; W42-F46 VanDerWaalsContact O-CD2 3.32Å; W42-F46 WeakPolarHBondContact O-CD2 3.49Å; W42-F46 VanDerWaalsContact O-CG 3.28Å; W42-F46 WeakPolarHBondContact O-CG 3.21Å; W42-F46 PolarHBondContact O-N 2.91Å; Y43-F46 PolarHBondContact O-N 3.47Å; F46-I48 VanDerWaalsContact C-N 3.28Å; F46-I48 PolarHBondContact O-N 2.92Å; F46-V49 WeakPolarHBondContact O-CB 3.35Å; F46-V49 PolarHBondContact O-N 3.14Å; F46-Y463 HydrophobicContact CD1-CD2 4.3Å; F46-Y463 HydrophobicContact CD1-CE2 4.1Å; F46-Y463 AromaticContact CE1-CD2 3.99Å; F46-Y463 HydrophobicContact CE1-CD2 3.99Å; F46-Y463 HydrophobicContact CE1-CE2 4.18Å
47L92.2Very high91.7Very high3 Ų311 Ų112%0.0165%0.052CC..Hα-helixtrans-66.2-29.4-179.6-176.9149.4000112.7I10 V13 Y43 C45 V49 F50 I51 F121I10-L47 HydrophobicContact CG1-CD1 4.12Å; V13-L47 HydrophobicContact CG1-CB 4.19Å; Y43-L47 HydrophobicContact CE1-CD1 4.15Å; Y43-L47 HydrophobicContact CE2-CD1 3.94Å; Y43-L47 WeakPolarHBondContact O-CB 3.26Å; Y43-L47 PolarHBondContact O-N 3.13Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.46Å; C45-L47 VanDerWaalsContact C-N 3.3Å; L47-V49 PolarHBondContact O-N 3.32Å; L47-F50 PolarHBondContact O-N 3.41Å; L47-F50 VanDerWaalsContact O-N 3.15Å; L47-I51 HydrophobicContact CD2-CB 4.14Å; L47-I51 HydrophobicContact CD2-CG1 3.37Å; L47-I51 HydrophobicContact CG-CG1 4.01Å; L47-I51 PolarHBondContact O-N 2.9Å; L47-I51 VanDerWaalsContact O-N 3.11Å; L47-F121 HydrophobicContact CD1-CZ 3.98Å; L47-F121 HydrophobicContact CD2-CE1 3.45Å; L47-F121 VanDerWaalsContact CD2-CE1 3.45Å; L47-F121 HydrophobicContact CD2-CZ 3.26Å; L47-F121 HydrophobicContact CG-CZ 4.23Å
48I90.9Very high91.5Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-62.7-25.1178.862.2127.2000113.7C45 F46 F50 L52 W122 T499 L502C45-I48 WeakPolarHBondContact O-CG1 3.43Å; F46-I48 VanDerWaalsContact C-N 3.28Å; F46-I48 PolarHBondContact O-N 2.92Å; I48-F50 PolarHBondContact O-N 3.37Å; I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.23Å; I48-L52 VanDerWaalsContact O-N 3.1Å; I48-W122 HydrophobicContact CB-CH2 4.3Å; I48-W122 HydrophobicContact CG2-CH2 3.91Å; I48-W122 HydrophobicContact CG2-CZ3 3.78Å; I48-T499 HydrophobicContact CB-CG2 4.37Å; I48-T499 HydrophobicContact CD1-CG2 4.04Å; I48-T499 HydrophobicContact CG1-CG2 4.01Å; I48-T499 HydrophobicContact CG2-CG2 3.63Å; I48-L502 HydrophobicContact CD1-CD2 3.49Å; I48-L502 VanDerWaalsContact CD1-CD2 3.49Å
49V92.3Very high91.3Very high9 Ų911.3 Ų11.36%0.0555%0.054CC..Hα-helixtrans-61.8-31.3177.9176.80000111.4F46 L47 P53 F452 I455 F456 C459F46-V49 WeakPolarHBondContact O-CB 3.35Å; F46-V49 PolarHBondContact O-N 3.14Å; L47-V49 PolarHBondContact O-N 3.32Å; V49-P53 VanDerWaalsContact O-CD 3.25Å; V49-P53 WeakPolarHBondContact O-CD 3.38Å; V49-P53 VanDerWaalsContact O-CG 3.31Å; V49-P53 WeakPolarHBondContact O-CG 3.23Å; V49-F452 HydrophobicContact CG1-CD2 4.03Å; V49-F452 HydrophobicContact CG1-CE2 3.69Å; V49-I455 HydrophobicContact CG1-CG2 4.21Å; V49-I455 WeakPolarHBondContact O-CG2 3.36Å; V49-F456 HydrophobicContact CG1-CB 4.03Å; V49-F456 HydrophobicContact CG1-CD2 4.04Å; V49-C459 HydrophobicContact CG2-CB 4.13Å
50F90Very high90.9Very high58 Ų5810.7 Ų10.725%0.2545%0.051SC..Hα-helixtrans-97.7-42.6-178.5-61.8-87.3000111.8V13 L47 I48 P53 L54 F452V13-F50 HydrophobicContact CG2-CD2 3.52Å; V13-F50 HydrophobicContact CG2-CE2 3.44Å; V13-F50 VanDerWaalsContact CG2-CE2 3.44Å; V13-F50 HydrophobicContact CG2-CG 4.48Å; V13-F50 HydrophobicContact CG2-CZ 4.35Å; L47-F50 PolarHBondContact O-N 3.41Å; L47-F50 VanDerWaalsContact O-N 3.15Å; I48-F50 PolarHBondContact O-N 3.37Å; F50-P53 WeakPolarHBondContact O-CD 3.19Å; F50-L54 WeakPolarHBondContact O-CG 3.37Å; F50-F452 HydrophobicContact CD1-CD2 4.26Å; F50-F452 AromaticContact CD1-CE2 3.78Å; F50-F452 HydrophobicContact CD1-CE2 3.78Å; F50-F452 HydrophobicContact CE1-CD2 4.33Å; F50-F452 AromaticContact CE1-CE2 3.44Å; F50-F452 HydrophobicContact CE1-CE2 3.44Å; F50-F452 VanDerWaalsContact CE1-CE2 3.44Å; F50-F452 HydrophobicContact CE1-CZ 4.07Å; F50-F452 AromaticContact CZ-CE2 3.9Å; F50-F452 HydrophobicContact CZ-CE2 3.9Å; F50-F452 HydrophobicContact CZ-CZ 4.4Å
51I90.4Very high90.5Very high3 Ų38.7 Ų8.72%0.0154%0.04CC..Hα-helixtrans-74-32.5-175.4-61.9-47000113.3L6 L47 L54 D55 M118 F121 W122L6-I51 HydrophobicContact CD1-CD1 3.88Å; L6-I51 HydrophobicContact CG-CD1 4.39Å; L47-I51 HydrophobicContact CD2-CB 4.14Å; L47-I51 HydrophobicContact CD2-CG1 3.37Å; L47-I51 HydrophobicContact CG-CG1 4.01Å; L47-I51 PolarHBondContact O-N 2.9Å; L47-I51 VanDerWaalsContact O-N 3.11Å; I51-L54 HydrophobicContact CD1-CD1 4.06Å; I51-L54 WeakPolarHBondContact O-CB 3.4Å; I51-L54 PolarHBondContact O-N 3.09Å; I51-D55 PolarHBondContact O-N 3.03Å; I51-M118 HydrophobicContact CG2-CE 4.16Å; I51-M118 HydrophobicContact CG2-SD 3.65Å; I51-F121 HydrophobicContact CB-CE1 4.32Å; I51-F121 HydrophobicContact CG1-CE1 3.92Å; I51-F121 HydrophobicContact CG1-CZ 4.26Å; I51-F121 HydrophobicContact CG2-CD1 3.93Å; I51-F121 HydrophobicContact CG2-CE1 3.88Å; I51-W122 HydrophobicContact CB-CZ2 4.46Å; I51-W122 HydrophobicContact CG2-CH2 4.45Å; I51-W122 HydrophobicContact CG2-CZ2 3.83Å
52L90.3Very high90.2Very high0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-67.2-43.7-178.3-168.666.1000112.9I48 L54 D55 V56 W122 I455 C503 F506 L507 Y526I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.23Å; I48-L52 VanDerWaalsContact O-N 3.1Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.3Å; L52-D55 PolarHBondContact O-N 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.19Å; L52-V56 PolarHBondContact O-N 3.37Å; L52-W122 HydrophobicContact CB-CH2 4.4Å; L52-W122 HydrophobicContact CB-CZ2 4.28Å; L52-W122 HydrophobicContact CD1-CH2 4.22Å; L52-W122 HydrophobicContact CD1-CZ2 3.84Å; L52-I455 HydrophobicContact CD2-CD1 4.07Å; L52-I455 HydrophobicContact CD2-CG1 4.33Å; L52-C503 HydrophobicContact CD2-CB 3.97Å; L52-F506 HydrophobicContact CD2-CD1 3.36Å; L52-F506 HydrophobicContact CD2-CE1 3.87Å; L52-F506 HydrophobicContact CD2-CG 4.21Å; L52-F506 HydrophobicContact CG-CD1 4Å; L52-F506 HydrophobicContact CG-CE1 4.02Å; L52-L507 HydrophobicContact CD1-CD1 4.42Å; L52-L507 HydrophobicContact CD1-CD2 4.37Å; L52-L507 HydrophobicContact CD1-CG 4.49Å; L52-Y526 HydrophobicContact CD1-CG 4.33Å
53P91.3Very high89.8Confident2 Ų211.6 Ų11.61%0.0135%0.052CC..Hα-helixtrans-54.6-39.4168.8-28.735.5000114.1V49 F50 V56 S57 E448 C451 F452 I455V49-P53 VanDerWaalsContact O-CD 3.25Å; V49-P53 WeakPolarHBondContact O-CD 3.38Å; V49-P53 VanDerWaalsContact O-CG 3.31Å; V49-P53 WeakPolarHBondContact O-CG 3.23Å; F50-P53 WeakPolarHBondContact O-CD 3.19Å; P53-V56 PolarHBondContact O-N 2.9Å; P53-S57 PolarHBondContact O-N 2.85Å; P53-S57 PolarHBondContact O-OG 2.49Å; P53-E448 HydrophobicContact CB-CG 4.19Å; P53-C451 HydrophobicContact CB-CB 3.77Å; P53-C451 HydrophobicContact CG-CB 4.03Å; P53-F452 HydrophobicContact CG-CB 4.1Å; P53-I455 HydrophobicContact CG-CG2 4.04Å
54L89.1Confident89.4Confident5 Ų510 Ų103%0.0265%0.046CC..Hα-helixtrans-67.9-37.2177.5-65.3178.8000113L6 F50 I51 L52 S57 T58 S111 I113 M118 E448L6-L54 HydrophobicContact CD1-CD1 3.92Å; F50-L54 WeakPolarHBondContact O-CG 3.37Å; I51-L54 HydrophobicContact CD1-CD1 4.06Å; I51-L54 WeakPolarHBondContact O-CB 3.4Å; I51-L54 PolarHBondContact O-N 3.09Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.3Å; L54-S57 PolarHBondContact O-OG 3.06Å; L54-T58 VanDerWaalsContact O-CB 3.25Å; L54-T58 WeakPolarHBondContact O-CB 3.47Å; L54-T58 PolarHBondContact O-N 3.06Å; L54-T58 PolarHBondContact O-OG1 3.21Å; L54-S111 VanDerWaalsContact CD2-CB 3.4Å; L54-I113 HydrophobicContact CB-CD1 4.15Å; L54-I113 HydrophobicContact CD1-CD1 4.26Å; L54-M118 HydrophobicContact CB-CE 4.28Å; L54-E448 HydrophobicContact CD2-CG 4.33Å; L54-E448 WeakPolarHBondContact CD2-OE1 3.49Å
55D90Very high89.1Confident2 Ų211.8 Ų11.81%0.0116%0.056CC..Hα-helixtrans-63.3-47.4173.4-163.79.3000110I51 L52 S57 T58 T59 M118 W122 A525 Y526I51-D55 PolarHBondContact O-N 3.03Å; L52-D55 PolarHBondContact O-N 3.27Å; D55-S57 PolarHBondContact O-N 3.47Å; D55-T58 PolarHBondContact O-N 3.45Å; D55-T59 WeakPolarHBondContact O-CB 3.44Å; D55-T59 PolarHBondContact O-N 3.38Å; D55-T59 PolarHBondContact O-OG1 3.37Å; D55-M118 HydrophobicContact CB-CE 4.09Å; D55-M118 HydrophobicContact CB-CG 4.31Å; D55-M118 HydrophobicContact CB-SD 4.26Å; D55-W122 PolarHBondContact OD2-NE1 3.19Å; D55-A525 WeakPolarHBondContact OD1-CB 3.25Å; D55-A525 PolarHBondContact OD1-N 3.12Å; D55-A525 VanDerWaalsContact OD1-N 3.14Å; D55-A525 PolarHBondContact OD2-N 2.91Å; D55-Y526 WeakPolarHBondContact OD2-CB 3.47Å; D55-Y526 PolarHBondContact OD2-N 2.94Å
56V88.9Confident88.7Confident0 Ų015.7 Ų15.70%07%0.074CC..Hα-helixtrans-59.8-49.4177.9174.40000112L52 P53 T58 T59 I60 I447 F506 L507 I510 M512 T524L52-V56 WeakPolarHBondContact O-CG2 3.19Å; L52-V56 PolarHBondContact O-N 3.37Å; P53-V56 PolarHBondContact O-N 2.9Å; V56-T58 VanDerWaalsContact C-N 3.33Å; V56-T58 PolarHBondContact O-N 2.94Å; V56-T59 PolarHBondContact O-N 3.19Å; V56-I60 HydrophobicContact CG1-CD1 3.8Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; V56-I60 PolarHBondContact O-N 3.15Å; V56-I447 HydrophobicContact CG1-CG2 4.36Å; V56-F506 HydrophobicContact CG2-CE1 4.24Å; V56-L507 HydrophobicContact CG2-CD2 3.82Å; V56-I510 HydrophobicContact CG1-CD1 4.06Å; V56-I510 HydrophobicContact CG2-CD1 3.87Å; V56-M512 HydrophobicContact CG1-CG 4.36Å; V56-T524 HydrophobicContact CG2-CG2 4.44Å
57S88.6Confident88.2Confident0 Ų017.8 Ų17.80%09%0.086CC..Hα-helixtrans-64.5-37.7-179.768.40000112.1P53 L54 D55 Y61P53-S57 PolarHBondContact O-N 2.85Å; P53-S57 PolarHBondContact O-OG 2.49Å; L54-S57 PolarHBondContact O-OG 3.06Å; D55-S57 PolarHBondContact O-N 3.47Å; S57-Y61 WeakPolarHBondContact O-CB 3.33Å; S57-Y61 PolarHBondContact O-N 2.74Å
58T87.8Confident87.7Confident2 Ų219.9 Ų19.91%0.01210%0.096CC..Hα-helixtrans-67.4-40.6175.4-57.80000111.6L54 D55 V56 Y61 R62 Y112L54-T58 VanDerWaalsContact O-CB 3.25Å; L54-T58 WeakPolarHBondContact O-CB 3.47Å; L54-T58 PolarHBondContact O-N 3.06Å; L54-T58 PolarHBondContact O-OG1 3.21Å; D55-T58 PolarHBondContact O-N 3.45Å; V56-T58 VanDerWaalsContact C-N 3.33Å; V56-T58 PolarHBondContact O-N 2.94Å; T58-Y61 PolarHBondContact O-N 3.49Å; T58-R62 WeakPolarHBondContact O-CG 3.44Å; T58-R62 PolarHBondContact O-N 3.16Å; T58-Y112 HydrophobicContact CG2-CE2 4.49Å
59T87.8Confident87.2Confident6 Ų625.6 Ų25.64%0.03712%0.122CC..Hα-helixtrans-64-44.6176.4-62.90000111.7D55 V56 Y61 R62 Q63 L522 T524D55-T59 WeakPolarHBondContact O-CB 3.44Å; D55-T59 PolarHBondContact O-N 3.38Å; D55-T59 PolarHBondContact O-OG1 3.37Å; V56-T59 PolarHBondContact O-N 3.19Å; T59-Y61 VanDerWaalsContact C-N 3.32Å; T59-Y61 PolarHBondContact O-N 3.15Å; T59-R62 PolarHBondContact O-N 3.01Å; T59-Q63 PolarHBondContact O-N 3.4Å; T59-L522 HydrophobicContact CG2-CB 4.12Å; T59-L522 WeakPolarHBondContact CG2-O 3.26Å; T59-T524 HydrophobicContact CG2-CG2 4.39Å
60I86.3Confident86.4Confident8 Ų831.3 Ų31.34%0.04115%0.148CC..Hα-helixtrans-64.3-38.8177.1-67.1166.9000110.9V56 Q63 C64 I435 E439 Y444 I447 M512V56-I60 HydrophobicContact CG1-CD1 3.8Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; V56-I60 PolarHBondContact O-N 3.15Å; I60-Q63 PolarHBondContact O-N 2.82Å; I60-C64 PolarHBondContact O-N 3.04Å; I60-I435 HydrophobicContact CD1-CG2 4.16Å; I60-E439 HydrophobicContact CG2-CG 4.07Å; I60-Y444 HydrophobicContact CG2-CE1 4.3Å; I60-I447 HydrophobicContact CD1-CD1 4.2Å; I60-I447 HydrophobicContact CD1-CG2 3.9Å; I60-I447 HydrophobicContact CG2-CD1 4.39Å; I60-M512 HydrophobicContact CD1-SD 4.3Å; I60-M512 HydrophobicContact CG1-SD 4.13Å
61Y87.1Confident85.5Confident12 Ų1234.4 Ų34.45%0.04716%0.163CC..Hα-helixtrans-62.2-42173.6171.7-102.6000112.4S57 T58 T59 C64 I65 C106 H107 R108 P109 Y112S57-Y61 WeakPolarHBondContact O-CB 3.33Å; S57-Y61 PolarHBondContact O-N 2.74Å; T58-Y61 PolarHBondContact O-N 3.49Å; T59-Y61 VanDerWaalsContact C-N 3.32Å; T59-Y61 PolarHBondContact O-N 3.15Å; Y61-C64 WeakPolarHBondContact O-CB 3.34Å; Y61-C64 PolarHBondContact O-N 3.43Å; Y61-I65 HydrophobicContact CD1-CD1 4.17Å; Y61-I65 HydrophobicContact CE1-CD1 3.47Å; Y61-I65 VanDerWaalsContact CE1-CD1 3.47Å; Y61-I65 HydrophobicContact CE1-CG1 4.35Å; Y61-I65 HydrophobicContact CE2-CD1 4.35Å; Y61-I65 HydrophobicContact CE2-CG1 4.48Å; Y61-I65 PolarHBondContact O-N 3.17Å; Y61-C106 HydrophobicContact CE2-CB 4.25Å; Y61-H107 WeakPolarHBondContact CD2-O 3.33Å; Y61-H107 WeakPolarHBondContact CE2-O 3.42Å; Y61-R108 HydrophobicContact CE1-CG 4.39Å; Y61-R108 HydrophobicContact CE2-CB 4.42Å; Y61-R108 HydrophobicContact CE2-CG 3.96Å; Y61-R108 WeakPolarHBondContact OH-CG 3.39Å; Y61-P109 HydrophobicContact CG-CG 4.23Å; Y61-Y112 AromaticContact CD1-CD2 3.72Å; Y61-Y112 HydrophobicContact CD1-CD2 3.72Å; Y61-Y112 AromaticContact CD1-CE2 3.59Å; Y61-Y112 HydrophobicContact CD1-CE2 3.59Å; Y61-Y112 AromaticContact CE1-CD2 3.76Å; Y61-Y112 HydrophobicContact CE1-CD2 3.76Å; Y61-Y112 AromaticContact CE1-CE2 3.44Å; Y61-Y112 HydrophobicContact CE1-CE2 3.44Å; Y61-Y112 VanDerWaalsContact CE1-CE2 3.44Å
62R86.2Confident84.5Confident40 Ų4039 Ų3915%0.15119%0.187CC..Hα-helixtrans-65.1-42.7175.5-73.4-172.7-174.6145.819.1112.5T58 T59 C64 I65 E66 E115 L522T58-R62 WeakPolarHBondContact O-CG 3.44Å; T58-R62 PolarHBondContact O-N 3.16Å; T59-R62 PolarHBondContact O-N 3.01Å; R62-C64 VanDerWaalsContact C-N 3.25Å; R62-C64 PolarHBondContact O-N 3.13Å; R62-I65 WeakPolarHBondContact O-CB 3.25Å; R62-I65 PolarHBondContact O-N 2.86Å; R62-I65 VanDerWaalsContact O-N 3.07Å; R62-E66 PolarHBondContact O-N 2.87Å; R62-E115 IonicContact CZ-OE1 3.3Å; R62-E115 IonicContact NE-OE1 3.65Å; R62-E115 PolarHBondContact NE-OE1 3.04Å; R62-L522 HydrophobicContact CB-CD2 4.17Å
63Q85.8Confident83.1Confident20 Ų2043.1 Ų43.19%0.09321%0.213CC..Hα-helixtrans-56-43.2174.1-172.869.751.400111T59 I60 I65 E66 D67T59-Q63 PolarHBondContact O-N 3.4Å; I60-Q63 PolarHBondContact O-N 2.82Å; Q63-I65 VanDerWaalsContact C-N 3.32Å; Q63-I65 PolarHBondContact O-N 2.82Å; Q63-E66 PolarHBondContact O-N 3.44Å; Q63-D67 PolarHBondContact NE2-OD1 3.43Å; Q63-D67 WeakPolarHBondContact O-CB 3.42Å; Q63-D67 PolarHBondContact O-N 3.24Å
64C85.9Confident81.5Confident7 Ų747.6 Ų47.65%0.04724%0.24CC..Hα-helixtrans-57.7-43.4175.7-173.90000112.5I60 Y61 R62 H68 C106 Y442I60-C64 PolarHBondContact O-N 3.04Å; Y61-C64 WeakPolarHBondContact O-CB 3.34Å; Y61-C64 PolarHBondContact O-N 3.43Å; R62-C64 VanDerWaalsContact C-N 3.25Å; R62-C64 PolarHBondContact O-N 3.13Å; C64-H68 VanDerWaalsContact O-CB 3.28Å; C64-H68 WeakPolarHBondContact O-CB 3.49Å; C64-H68 PolarHBondContact O-N 3.48Å; C64-C106 HydrophobicContact CB-CB 3.98Å; C64-C106 WeakPolarHBondContact CB-SG 3.34Å; C64-C106 PolarHBondContact O-SG 2.69Å; C64-C106 WeakPolarHBondContact SG-CB 3.26Å; C64-C106 CovalentContact SG-SG 2.04Å; C64-C106 PolarHBondContact SG-SG 3.35Å; C64-Y442 HydrophobicContact CB-CE1 4.01Å; C64-Y442 WeakPolarHBondContact SG-CE1 3.35Å
65I86.3Confident80Confident51 Ų5151.4 Ų51.426%0.26227%0.267SS..Hα-helixtrans-63.2-49.8178.3-63.9173.2000110.3Y61 R62 Q63 D67 H68 E69Y61-I65 HydrophobicContact CD1-CD1 4.17Å; Y61-I65 HydrophobicContact CE1-CD1 3.47Å; Y61-I65 VanDerWaalsContact CE1-CD1 3.47Å; Y61-I65 HydrophobicContact CE1-CG1 4.35Å; Y61-I65 HydrophobicContact CE2-CD1 4.35Å; Y61-I65 HydrophobicContact CE2-CG1 4.48Å; Y61-I65 PolarHBondContact O-N 3.17Å; R62-I65 WeakPolarHBondContact O-CB 3.25Å; R62-I65 PolarHBondContact O-N 2.86Å; R62-I65 VanDerWaalsContact O-N 3.07Å; Q63-I65 VanDerWaalsContact C-N 3.32Å; Q63-I65 PolarHBondContact O-N 2.82Å; I65-D67 PolarHBondContact O-N 2.96Å; I65-H68 PolarHBondContact O-N 2.85Å; I65-H68 VanDerWaalsContact O-N 3.16Å; I65-E69 HydrophobicContact CG2-CG 4.38Å; I65-E69 WeakPolarHBondContact O-CG 3.49Å; I65-E69 PolarHBondContact O-N 2.98Å
66E83.6Confident78.2Confident81 Ų8156.9 Ų56.938%0.37930%0.301SS..Hα-helixtrans-60.6-46.6-179-71-178.5-171.300111.2R62 Q63 H68 E69 E70 L522R62-E66 PolarHBondContact O-N 2.87Å; Q63-E66 PolarHBondContact O-N 3.44Å; E66-H68 VanDerWaalsContact C-N 3.26Å; E66-H68 PolarHBondContact O-N 3.43Å; E66-E69 PolarHBondContact O-N 3.32Å; E66-E69 VanDerWaalsContact O-N 3.17Å; E66-E70 PolarHBondContact O-N 3.28Å; E66-L522 WeakPolarHBondContact OE2-CD1 3.29Å
67D80.6Confident76.5Confident64 Ų6462.6 Ų62.634%0.34234%0.335SS..Hα-helixtrans-59.2-39.2176.4-67.1-9.9000111Q63 I65 H71Q63-D67 PolarHBondContact NE2-OD1 3.43Å; Q63-D67 WeakPolarHBondContact O-CB 3.42Å; Q63-D67 PolarHBondContact O-N 3.24Å; I65-D67 PolarHBondContact O-N 2.96Å; D67-H71 WeakPolarHBondContact O-CB 3.31Å; D67-H71 PolarHBondContact O-CD2 3.18Å; D67-H71 PolarHBondContact O-N 3.4Å
68H81.6Confident74.3Confident48 Ų4867.4 Ų67.422%0.22237%0.369CS..Hα-helixtrans-70.9-36.2178.4-163.8-54.1000112.5C64 I65 E66 L72C64-H68 VanDerWaalsContact O-CB 3.28Å; C64-H68 WeakPolarHBondContact O-CB 3.49Å; C64-H68 PolarHBondContact O-N 3.48Å; I65-H68 PolarHBondContact O-N 2.85Å; I65-H68 VanDerWaalsContact O-N 3.16Å; E66-H68 VanDerWaalsContact C-N 3.26Å; E66-H68 PolarHBondContact O-N 3.43Å; H68-L72 WeakPolarHBondContact ND1-CD1 3.37Å; H68-L72 WeakPolarHBondContact O-CD1 3.41Å; H68-L72 VanDerWaalsContact O-CG 3.3Å; H68-L72 WeakPolarHBondContact O-CG 3.3Å; H68-L72 PolarHBondContact O-N 3.39Å; H68-L72 VanDerWaalsContact O-N 3.16Å
69E80.7Confident72.4Confident120 Ų12073.5 Ų73.556%0.56141%0.408SS*.Hα-helixtrans-69.3-41.1174.7-74.2-175.7-17900111.9I65 E66 L72 T73I65-E69 HydrophobicContact CG2-CG 4.38Å; I65-E69 WeakPolarHBondContact O-CG 3.49Å; I65-E69 PolarHBondContact O-N 2.98Å; E66-E69 PolarHBondContact O-N 3.32Å; E66-E69 VanDerWaalsContact O-N 3.17Å; E69-L72 PolarHBondContact O-N 3.13Å; E69-T73 WeakPolarHBondContact O-CG2 3.35Å; E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 2.93Å
70E76.4Confident70.2Confident129 Ų12979.5 Ų79.560%0.60345%0.445SS*.Hα-helixtrans-62-43.1173.3-73.5-166.6170.700111.7E66 L72 T73 V74E66-E70 PolarHBondContact O-N 3.28Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.26Å; E70-T73 WeakPolarHBondContact CA-OG1 3.36Å; E70-T73 PolarHBondContact O-N 3.09Å; E70-T73 PolarHBondContact O-OG1 3.05Å; E70-V74 VanDerWaalsContact O-CG2 3.32Å; E70-V74 WeakPolarHBondContact O-CG2 3.42Å; E70-V74 PolarHBondContact O-N 3.35Å
71H70.3Confident68.2Low122 Ų12285.9 Ų85.957%0.56548%0.48SS*.Hα-helixtrans-65-32.8177-83.2-58.7000113.7D67 S75D67-H71 WeakPolarHBondContact O-CB 3.31Å; D67-H71 PolarHBondContact O-CD2 3.18Å; D67-H71 PolarHBondContact O-N 3.4Å; H71-S75 WeakPolarHBondContact O-CB 3.45Å; H71-S75 PolarHBondContact O-N 2.71Å; H71-S75 PolarHBondContact O-OG 3.45Å
72L69.2Low65.9Low99 Ų9997.5 Ų97.552%0.51852%0.523SS..Hα-helixtrans-70.4-42.1174.8-76.3164.4000112H68 E69 E70 S75 T76H68-L72 WeakPolarHBondContact ND1-CD1 3.37Å; H68-L72 WeakPolarHBondContact O-CD1 3.41Å; H68-L72 VanDerWaalsContact O-CG 3.3Å; H68-L72 WeakPolarHBondContact O-CG 3.3Å; H68-L72 PolarHBondContact O-N 3.39Å; H68-L72 VanDerWaalsContact O-N 3.16Å; E69-L72 PolarHBondContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.26Å; L72-S75 PolarHBondContact O-N 3.18Å; L72-T76 PolarHBondContact O-N 3.18Å; L72-T76 PolarHBondContact O-OG1 2.8Å
73T61.2Low64Low87 Ų87102.4 Ų102.453%0.53456%0.558SS.*Hα-helixtrans-68.5-40.7179.551.80000112.4E69 E70 S75 T76E69-T73 WeakPolarHBondContact O-CG2 3.35Å; E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 2.93Å; E70-T73 WeakPolarHBondContact CA-OG1 3.36Å; E70-T73 PolarHBondContact O-N 3.09Å; E70-T73 PolarHBondContact O-OG1 3.05Å; T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.41Å; T73-T76 PolarHBondContact O-N 2.76Å
74V58.8Low61.7Low96 Ų96105.2 Ų105.258%0.58259%0.592SS**Hα-helixtrans-67.5-32.6176.6175.70000112.4E70 T76 V77E70-V74 VanDerWaalsContact O-CG2 3.32Å; E70-V74 WeakPolarHBondContact O-CG2 3.42Å; E70-V74 PolarHBondContact O-N 3.35Å; V74-T76 PolarHBondContact O-N 3.41Å; V74-V77 PolarHBondContact O-N 3.05Å
75S55.9Low59.4Low85 Ų85110.2 Ų110.259%0.59463%0.627SS**Hα-helixtrans-72.7-18177-59.30000113.4H71 L72 T73H71-S75 WeakPolarHBondContact O-CB 3.45Å; H71-S75 PolarHBondContact O-N 2.71Å; H71-S75 PolarHBondContact O-OG 3.45Å; L72-S75 PolarHBondContact O-N 3.18Å; T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.41Å
76T53.7Low57.2Low118 Ų118113.4 Ų113.472%0.72465%0.654SS**Hα-helixtrans-91.7-11.7-179.4-41.70000112.4L72 T73 V74L72-T76 PolarHBondContact O-N 3.18Å; L72-T76 PolarHBondContact O-OG1 2.8Å; T73-T76 PolarHBondContact O-N 2.76Å; V74-T76 PolarHBondContact O-N 3.41Å
77V52.8Low54.9Low120 Ų120112.8 Ų112.873%0.72767%0.669SS**  trans-113.788.4178.6-171.90000110V74V74-V77 PolarHBondContact O-N 3.05Å
78S42.2Very low53.4Low100 Ų100116.2 Ų116.270%0.69970%0.695SS**  trans-136.3144.9159.5-75.70000108.8
79P48.2Very low51.4Low130 Ų130121.3 Ų121.384%0.84472%0.724SS**  -89.4126.5-128.831.9-33.8000113.2
80T41.4Very low50.2Low133 Ų133120.3 Ų120.382%0.81673%0.728SS**  trans-89.9127.6163.83.60000110.7
81N44.1Very low48.6Very low142 Ų142120.1 Ų120.176%0.75974%0.738SS**  trans88.780.4158.4-59.6-6.9000118.4
82R38.9Very low47.4Very low255 Ų255121.7 Ų121.796%0.96275%0.75SS**  trans-103.9106.2136.5-79.8-172.4178.1-177.60.1109
83T45.4Very low45.9Very low144 Ų144123.2 Ų123.288%0.88376%0.763SS**  trans-70.9119.9162.240.20000109.3
84G38.1Very low44.8Very low78 Ų78124.7 Ų124.780%0.80478%0.777SS**  trans-174.2130.1174.300000110.6
85S38Very low43.7Very low112 Ų112128.5 Ų128.578%0.78379%0.791SS**  trans-81.2146.4-15652.90000117.5
86S40Very low42.6Very low119 Ų119128.4 Ų128.483%0.83280%0.795SS**  trans48.5115.3140.862.90000121.8
87G36Very low41.9Very low68 Ų68128.6 Ų128.670%0.70180%0.799SS**  trans179.8140.4155.400000112
88P47.4Very low41Very low135 Ų135129.1 Ų129.188%0.87780%0.802SS**  trans-88.2147.9-16534.3-33000115.5
89N40.1Very low40.8Very low155 Ų155135.9 Ų135.983%0.82981%0.812SS**  trans-67.5-178.5178.7-69.2-26.5000115.3
90P55.9Low40.4Very low100 Ų100139.3 Ų139.365%0.64981%0.808SS**  cis-134-167.5-4837.7-18.7000112.5
91P42.7Very low40.7Very low124 Ų124138.7 Ų138.781%0.80581%0.807SS**  -135.7153.1102.636.6-24.9000115V93P91-V93 PolarHBondContact O-N 2.75Å
92N44.7Very low40.8Very low155 Ų155139.4 Ų139.483%0.82981%0.809SS**  trans-56.5118.2-176.6-72-26.6000113.9
93V38.3Very low41.7Very low131 Ų131130.2 Ų130.279%0.79478%0.782SS**  trans-113.2104.1150.6-176.90000106.6P91 M95P91-V93 PolarHBondContact O-N 2.75Å; V93-M95 VanDerWaalsContact C-N 3.27Å; V93-M95 PolarHBondContact O-N 2.83Å
94S37.8Very low42.6Very low118 Ų118126 Ų12683%0.82576%0.759SS**  trans-67.983.5172.648.90000109.9A96S94-A96 PolarHBondContact O-N 2.88Å
95M35.3Very low44.2Very low177 Ų177126.3 Ų126.387%0.87275%0.746SS**  trans-74.5104.9157.2-87.1-179.6131.800107.3V93V93-M95 VanDerWaalsContact C-N 3.27Å; V93-M95 PolarHBondContact O-N 2.83Å
96A32.6Very low46.2Very low82 Ų82122.2 Ų122.268%0.67872%0.718SS**  trans-49.7135.9166.100000109.2S94 T98S94-A96 PolarHBondContact O-N 2.88Å; A96-T98 PolarHBondContact O-N 3.23Å
97P40.8Very low48.2Very low123 Ų123122.5 Ų122.580%0.79971%0.706SS**  trans-65.7110.1169.127.2-29000106.5R99P97-R99 VanDerWaalsContact C-N 3.35Å; P97-R99 PolarHBondContact O-N 3.08Å
98T33.3Very low50.3Low131 Ų131128 Ų12880%0.80471%0.705SS**  trans-54.5104.7163.526.60000106.6A96 R100A96-T98 PolarHBondContact O-N 3.23Å; T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.21Å
99R38.1Very low51.9Low242 Ų242122 Ų12291%0.91367%0.666SS**  trans-51.3102.5166.4-90.4179.9170.5176.2-3106.5P97P97-R99 VanDerWaalsContact C-N 3.35Å; P97-R99 PolarHBondContact O-N 3.08Å
100R39.9Very low53.6Low201 Ų201124.3 Ų124.376%0.75866%0.663SS**PPolyproline II helixtrans-59.4129.3164.5-67-178.1-179.9-179.5-0.5106T98 I102T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.21Å; R100-I102 PolarHBondContact O-N 3.03Å
101P46.3Very low54.6Low120 Ų120120.3 Ų120.378%0.77964%0.638SS**PPolyproline II helixtrans-58.1128.1179.922.9-29.8000108.1
102I47.6Very low56.4Low158 Ų158116.7 Ų116.781%0.8161%0.608SS**PPolyproline II helixtrans-57.9122.4170.6-62.1161.6000105.4R100 S104R100-I102 PolarHBondContact O-N 3.03Å; I102-S104 PolarHBondContact O-N 3.36Å
103P57.9Low58.2Low61 Ų61109.9 Ų109.940%0.39657%0.572SS.*PPolyproline II helixtrans-58.9125.9178.321.8-29.7000108.4
104S63.3Low60.2Low57 Ų57106.9 Ų106.940%0.39956%0.555SS.*PPolyproline II helixtrans-60.5138.4173.643.10000109.1I102 C106 Y442I102-S104 PolarHBondContact O-N 3.36Å; S104-C106 PolarHBondContact O-N 3.45Å; S104-Y442 WeakPolarHBondContact OG-CE2 3.36Å
105P72.5Confident62Low83 Ų83107.2 Ų107.254%0.53954%0.543SS..PPolyproline II helixtrans-61129.7-179.624.5-32.9000110.6H107P105-H107 PolarHBondContact O-CD2 2.93Å; P105-H107 PolarHBondContact O-N 3.01Å
106C80.4Confident64.2Low27 Ų27100.8 Ų100.818%0.18252%0.523CS..  trans-64.8107.2173.6-56.30000109.4Y61 C64 S104Y61-C106 HydrophobicContact CE2-CB 4.25Å; C64-C106 HydrophobicContact CB-CB 3.98Å; C64-C106 WeakPolarHBondContact CB-SG 3.34Å; C64-C106 PolarHBondContact O-SG 2.69Å; C64-C106 WeakPolarHBondContact SG-CB 3.26Å; C64-C106 CovalentContact SG-SG 2.04Å; C64-C106 PolarHBondContact SG-SG 3.35Å; S104-C106 PolarHBondContact O-N 3.45Å
107H80.4Confident66.7Low125 Ų125101.4 Ų101.458%0.57951%0.514SS*.PPolyproline II helixtrans-79.1137.1177.2-69.7-67.9000110.8Y61 P105 Y444Y61-H107 WeakPolarHBondContact CD2-O 3.33Å; Y61-H107 WeakPolarHBondContact CE2-O 3.42Å; P105-H107 PolarHBondContact O-CD2 2.93Å; P105-H107 PolarHBondContact O-N 3.01Å; H107-Y444 WeakPolarHBondContact O-CE2 3.31Å
108R80.6Confident68.8Low184 Ų18495.8 Ų95.869%0.69448%0.477SS*.PPolyproline II helixtrans-64.1129.3175.5-76.2176.4-174.9-159.61.4110Y61Y61-R108 HydrophobicContact CE1-CG 4.39Å; Y61-R108 HydrophobicContact CE2-CB 4.42Å; Y61-R108 HydrophobicContact CE2-CG 3.96Å; Y61-R108 WeakPolarHBondContact OH-CG 3.39Å
109P81Confident71.4Confident8 Ų891.3 Ų91.35%0.05245%0.45CS..PPolyproline II helixtrans-63.3148.117323.8-29.7000109.8Y61 S111 Y112 Y444Y61-P109 HydrophobicContact CG-CG 4.23Å; P109-S111 PolarHBondContact O-N 3.11Å; P109-Y112 HydrophobicContact CG-CD2 4.32Å; P109-Y112 VanDerWaalsContact O-CB 3.31Å; P109-Y112 WeakPolarHBondContact O-CB 3.33Å; P109-Y112 PolarHBondContact O-N 2.95Å; P109-Y112 VanDerWaalsContact O-N 3.1Å; P109-Y444 HydrophobicContact CB-CD1 4.42Å; P109-Y444 HydrophobicContact CB-CD2 4.21Å; P109-Y444 HydrophobicContact CB-CG 3.87Å
110W76.3Confident73.8Confident203 Ų20384.1 Ų84.177%0.76943%0.433SS*.THydrogen-bonded Turntrans-52.8-44.1176.4-173.7-36.8000110.6Y112W110-Y112 VanDerWaalsContact C-N 3.27Å; W110-Y112 PolarHBondContact O-N 3.19Å
111S77.4Confident76.1Confident16 Ų1677 Ų7711%0.11241%0.407CS..THydrogen-bonded Turntrans-85.517-176.657.30000114.1S2 L54 P109 I113 E448S2-S111 PolarHBondContact OG-O 3.24Å; L54-S111 VanDerWaalsContact CD2-CB 3.4Å; P109-S111 PolarHBondContact O-N 3.11Å; S111-I113 PolarHBondContact O-N 3.35Å; S111-E448 WeakPolarHBondContact CB-OE2 3.25Å; S111-E448 PolarHBondContact OG-OE2 2.98Å
112Y80.8Confident78.1Confident49 Ų4971.4 Ų71.419%0.19237%0.371CS..  trans-53.7129.4-178178.6-103.7000113.1S2 T58 Y61 P109 W110S2-Y112 WeakPolarHBondContact CB-O 3.45Å; S2-Y112 PolarHBondContact OG-O 3.36Å; T58-Y112 HydrophobicContact CG2-CE2 4.49Å; Y61-Y112 AromaticContact CD1-CD2 3.72Å; Y61-Y112 HydrophobicContact CD1-CD2 3.72Å; Y61-Y112 AromaticContact CD1-CE2 3.59Å; Y61-Y112 HydrophobicContact CD1-CE2 3.59Å; Y61-Y112 AromaticContact CE1-CD2 3.76Å; Y61-Y112 HydrophobicContact CE1-CD2 3.76Å; Y61-Y112 AromaticContact CE1-CE2 3.44Å; Y61-Y112 HydrophobicContact CE1-CE2 3.44Å; Y61-Y112 VanDerWaalsContact CE1-CE2 3.44Å; P109-Y112 HydrophobicContact CG-CD2 4.32Å; P109-Y112 VanDerWaalsContact O-CB 3.31Å; P109-Y112 WeakPolarHBondContact O-CB 3.33Å; P109-Y112 PolarHBondContact O-N 2.95Å; P109-Y112 VanDerWaalsContact O-N 3.1Å; W110-Y112 VanDerWaalsContact C-N 3.27Å; W110-Y112 PolarHBondContact O-N 3.19Å
113I80.9Confident80Confident11 Ų1171 Ų716%0.05636%0.359CS..  trans-109.2129.2176.5-64.8162.5000109.2L6 L54 S111 I117 M118L6-I113 HydrophobicContact CD1-CD1 3.57Å; L6-I113 HydrophobicContact CD1-CG1 4.23Å; L54-I113 HydrophobicContact CB-CD1 4.15Å; L54-I113 HydrophobicContact CD1-CD1 4.26Å; S111-I113 PolarHBondContact O-N 3.35Å; I113-I117 HydrophobicContact CG2-CB 3.93Å; I113-I117 HydrophobicContact CG2-CG2 4.14Å; I113-M118 HydrophobicContact CD1-CE 3.33Å
114P81.4Confident81.5Confident68 Ų6872 Ų7244%0.44236%0.364SS..  trans-53.7151.7176.4-26.532.4000114.1I117P114-I117 HydrophobicContact CB-CD1 3.94Å; P114-I117 HydrophobicContact CB-CG1 4.47Å; P114-I117 HydrophobicContact CG-CD1 3.99Å; P114-I117 PolarHBondContact O-N 3.34Å
115E75.2Confident82.7Confident125 Ų12569.6 Ų69.658%0.58435%0.347SS*.THydrogen-bonded Turntrans-62.6143.2178.5-48.2-154.4147.600111.9R62 I117R62-E115 IonicContact CZ-OE1 3.3Å; R62-E115 IonicContact NE-OE1 3.65Å; R62-E115 PolarHBondContact NE-OE1 3.04Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.39Å
116G80.5Confident83.4Confident43 Ų4366.8 Ų66.844%0.44333%0.326SS..THydrogen-bonded Turntrans88.7-28.1-177.300000115.8P119 V120G116-P119 WeakPolarHBondContact O-CD 3.5Å; G116-V120 VanDerWaalsContact O-CG2 3.32Å; G116-V120 WeakPolarHBondContact O-CG2 3.24Å; G116-V120 PolarHBondContact O-N 3.3Å
117I85.2Confident83.7Confident94 Ų9472 Ų7248%0.48234%0.341SS..Hα-helixtrans-69.4-48-178.9-59.4179.2000111.4I113 P114 E115 V120 F121I113-I117 HydrophobicContact CG2-CB 3.93Å; I113-I117 HydrophobicContact CG2-CG2 4.14Å; P114-I117 HydrophobicContact CB-CD1 3.94Å; P114-I117 HydrophobicContact CB-CG1 4.47Å; P114-I117 HydrophobicContact CG-CD1 3.99Å; P114-I117 PolarHBondContact O-N 3.34Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.39Å; I117-V120 PolarHBondContact O-N 2.92Å; I117-F121 WeakPolarHBondContact O-CB 3.46Å; I117-F121 PolarHBondContact O-N 2.86Å
118M85.9Confident84.2Confident5 Ų568.3 Ų68.33%0.02533%0.328CS..Hα-helixtrans-61.4-44.3-176.4-169.566.580.300113.2I51 L54 D55 I113 V120 F121 W122 A525I51-M118 HydrophobicContact CG2-CE 4.16Å; I51-M118 HydrophobicContact CG2-SD 3.65Å; L54-M118 HydrophobicContact CB-CE 4.28Å; D55-M118 HydrophobicContact CB-CE 4.09Å; D55-M118 HydrophobicContact CB-CG 4.31Å; D55-M118 HydrophobicContact CB-SD 4.26Å; I113-M118 HydrophobicContact CD1-CE 3.33Å; M118-V120 PolarHBondContact O-N 2.95Å; M118-F121 WeakPolarHBondContact O-CB 3.39Å; M118-F121 PolarHBondContact O-N 3.43Å; M118-W122 PolarHBondContact O-N 2.92Å; M118-A525 HydrophobicContact CB-CB 4.04Å; M118-A525 HydrophobicContact CG-CB 3.57Å
119P87.9Confident84.7Confident37 Ų3759.7 Ų59.724%0.2430%0.296CS..Hα-helixtrans-62.8-38172.9-24.234.3000114.2G116 R123 A525 I529G116-P119 WeakPolarHBondContact O-CD 3.5Å; P119-R123 VanDerWaalsContact O-CB 3.31Å; P119-R123 WeakPolarHBondContact O-CB 3.39Å; P119-R123 PolarHBondContact O-N 2.86Å; P119-A525 HydrophobicContact CG-CB 4.04Å; P119-I529 HydrophobicContact CB-CD1 4.37Å; P119-I529 WeakPolarHBondContact O-CD1 3.37Å
120V88.4Confident85Confident91 Ų9160.6 Ų60.655%0.55230%0.3SS*.Hα-helixtrans-66-43.7176.1173.30000110.2G116 I117 M118 R123 V124G116-V120 VanDerWaalsContact O-CG2 3.32Å; G116-V120 WeakPolarHBondContact O-CG2 3.24Å; G116-V120 PolarHBondContact O-N 3.3Å; I117-V120 PolarHBondContact O-N 2.92Å; M118-V120 PolarHBondContact O-N 2.95Å; V120-R123 WeakPolarHBondContact O-CB 3.47Å; V120-R123 PolarHBondContact O-N 3.33Å; V120-V124 WeakPolarHBondContact O-CG2 3.38Å; V120-V124 PolarHBondContact O-N 3.43Å
121F87.6Confident85.7Confident51 Ų5154 Ų5422%0.22428%0.284CS..Hα-helixtrans-56.9-54.6178-175-92.1000111.8L47 I51 I117 M118 R123 V124 V125L47-F121 HydrophobicContact CD1-CZ 3.98Å; L47-F121 HydrophobicContact CD2-CE1 3.45Å; L47-F121 VanDerWaalsContact CD2-CE1 3.45Å; L47-F121 HydrophobicContact CD2-CZ 3.26Å; L47-F121 HydrophobicContact CG-CZ 4.23Å; I51-F121 HydrophobicContact CB-CE1 4.32Å; I51-F121 HydrophobicContact CG1-CE1 3.92Å; I51-F121 HydrophobicContact CG1-CZ 4.26Å; I51-F121 HydrophobicContact CG2-CD1 3.93Å; I51-F121 HydrophobicContact CG2-CE1 3.88Å; I117-F121 WeakPolarHBondContact O-CB 3.46Å; I117-F121 PolarHBondContact O-N 2.86Å; M118-F121 WeakPolarHBondContact O-CB 3.39Å; M118-F121 PolarHBondContact O-N 3.43Å; F121-R123 VanDerWaalsContact C-N 3.27Å; F121-R123 PolarHBondContact O-N 2.93Å; F121-V124 WeakPolarHBondContact O-CB 3.27Å; F121-V124 PolarHBondContact O-N 3.27Å; F121-V124 VanDerWaalsContact O-N 3.12Å; F121-V125 HydrophobicContact CD1-CG2 4.02Å; F121-V125 HydrophobicContact CE1-CG2 3.4Å; F121-V125 VanDerWaalsContact CE1-CG2 3.4Å; F121-V125 HydrophobicContact CE2-CG2 4.43Å; F121-V125 HydrophobicContact CZ-CG2 3.6Å; F121-V125 WeakPolarHBondContact O-CG2 3.47Å; F121-V125 PolarHBondContact O-N 2.98Å
122W88.4Confident86.3Confident4 Ų453.4 Ų53.42%0.01528%0.279CS..Hα-helixtrans-63.4-32.1178.8-79.7128.2000113.1I48 I51 L52 D55 M118 V125 Y126 Y526 I529I48-W122 HydrophobicContact CB-CH2 4.3Å; I48-W122 HydrophobicContact CG2-CH2 3.91Å; I48-W122 HydrophobicContact CG2-CZ3 3.78Å; I51-W122 HydrophobicContact CB-CZ2 4.46Å; I51-W122 HydrophobicContact CG2-CH2 4.45Å; I51-W122 HydrophobicContact CG2-CZ2 3.83Å; L52-W122 HydrophobicContact CB-CH2 4.4Å; L52-W122 HydrophobicContact CB-CZ2 4.28Å; L52-W122 HydrophobicContact CD1-CH2 4.22Å; L52-W122 HydrophobicContact CD1-CZ2 3.84Å; D55-W122 PolarHBondContact OD2-NE1 3.19Å; M118-W122 PolarHBondContact O-N 2.92Å; W122-V125 HydrophobicContact CE3-CB 4.32Å; W122-V125 HydrophobicContact CE3-CG1 4.32Å; W122-V125 HydrophobicContact CZ3-CG1 4.36Å; W122-V125 PolarHBondContact O-N 2.91Å; W122-Y126 WeakPolarHBondContact O-CB 3.42Å; W122-Y126 PolarHBondContact O-N 3.48Å; W122-Y526 AromaticContact CD2-CD2 3.59Å; W122-Y526 HydrophobicContact CD2-CD2 3.59Å; W122-Y526 HydrophobicContact CD2-CE2 4.46Å; W122-Y526 HydrophobicContact CD2-CG 4.42Å; W122-Y526 AromaticContact CE2-CD2 3.8Å; W122-Y526 AromaticContact CE3-CD2 3.46Å; W122-Y526 HydrophobicContact CE3-CD2 3.46Å; W122-Y526 VanDerWaalsContact CE3-CD2 3.46Å; W122-Y526 AromaticContact CE3-CE2 3.89Å; W122-Y526 HydrophobicContact CE3-CE2 3.89Å; W122-Y526 HydrophobicContact CG-CD2 4.23Å; W122-Y526 AromaticContact CH2-CD2 3.81Å; W122-Y526 HydrophobicContact CH2-CD2 3.81Å; W122-Y526 HydrophobicContact CH2-CE2 4.26Å; W122-Y526 AromaticContact CZ2-CD2 3.93Å; W122-Y526 HydrophobicContact CZ2-CD2 3.93Å; W122-Y526 HydrophobicContact CZ2-CG 4.36Å; W122-Y526 AromaticContact CZ3-CD2 3.57Å; W122-Y526 HydrophobicContact CZ3-CD2 3.57Å; W122-Y526 AromaticContact CZ3-CE2 3.78Å; W122-Y526 HydrophobicContact CZ3-CE2 3.78Å; W122-I529 HydrophobicContact CB-CD1 3.51Å
123R88.3Confident86.7Confident148 Ų14851.1 Ų51.156%0.55827%0.27SS*.Hα-helixtrans-63.1-45.2173.5-172.8-179.8-57.5-119.2-1.8110.8P119 V120 F121 W127 I529P119-R123 VanDerWaalsContact O-CB 3.31Å; P119-R123 WeakPolarHBondContact O-CB 3.39Å; P119-R123 PolarHBondContact O-N 2.86Å; V120-R123 WeakPolarHBondContact O-CB 3.47Å; V120-R123 PolarHBondContact O-N 3.33Å; F121-R123 VanDerWaalsContact C-N 3.27Å; F121-R123 PolarHBondContact O-N 2.93Å; R123-W127 PolarHBondContact O-N 2.63Å; R123-I529 HydrophobicContact CB-CD1 4.23Å
124V89.2Confident87Confident84 Ų8455 Ų5551%0.50928%0.284SS..Hα-helixtrans-62.1-51.81761740000110.1V120 F121 Y126 T128V120-V124 WeakPolarHBondContact O-CG2 3.38Å; V120-V124 PolarHBondContact O-N 3.43Å; F121-V124 WeakPolarHBondContact O-CB 3.27Å; F121-V124 PolarHBondContact O-N 3.27Å; F121-V124 VanDerWaalsContact O-N 3.12Å; V124-Y126 PolarHBondContact O-N 3.37Å; V124-T128 HydrophobicContact CG1-CG2 4.15Å; V124-T128 VanDerWaalsContact O-CB 3.26Å; V124-T128 WeakPolarHBondContact O-CB 3.47Å; V124-T128 WeakPolarHBondContact O-CG2 3.17Å; V124-T128 PolarHBondContact O-N 3.22Å; V124-T128 PolarHBondContact O-OG1 3.25Å
125V89.3Confident87.4Confident6 Ų657.4 Ų57.44%0.03629%0.293CS..Hα-helixtrans-58-48.7179.91740000111.3L44 F121 W122 T128 S129L44-V125 HydrophobicContact CD2-CG1 4.46Å; L44-V125 HydrophobicContact CD2-CG2 4.15Å; F121-V125 HydrophobicContact CD1-CG2 4.02Å; F121-V125 HydrophobicContact CE1-CG2 3.4Å; F121-V125 VanDerWaalsContact CE1-CG2 3.4Å; F121-V125 HydrophobicContact CE2-CG2 4.43Å; F121-V125 HydrophobicContact CZ-CG2 3.6Å; F121-V125 WeakPolarHBondContact O-CG2 3.47Å; F121-V125 PolarHBondContact O-N 2.98Å; W122-V125 HydrophobicContact CE3-CB 4.32Å; W122-V125 HydrophobicContact CE3-CG1 4.32Å; W122-V125 HydrophobicContact CZ3-CG1 4.36Å; W122-V125 PolarHBondContact O-N 2.91Å; V125-T128 PolarHBondContact O-OG1 3.46Å; V125-S129 VanDerWaalsContact O-CB 3.3Å; V125-S129 WeakPolarHBondContact O-CB 3.49Å; V125-S129 PolarHBondContact O-N 2.96Å; V125-S129 PolarHBondContact O-OG 3.02Å; V125-S129 VanDerWaalsContact O-OG 3.06Å
126Y86.2Confident88.1Confident23 Ų2354.2 Ų54.29%0.0928%0.279CS..Hα-helixtrans-61.3-55.6-178.3178.1-98.2000112.2W122 V124 T128 S129 Q130 I529W122-Y126 WeakPolarHBondContact O-CB 3.42Å; W122-Y126 PolarHBondContact O-N 3.48Å; V124-Y126 PolarHBondContact O-N 3.37Å; Y126-T128 VanDerWaalsContact C-N 3.33Å; Y126-T128 PolarHBondContact O-N 2.82Å; Y126-S129 PolarHBondContact O-N 3.42Å; Y126-Q130 HydrophobicContact CD1-CG 4.3Å; Y126-Q130 HydrophobicContact CE1-CG 3.93Å; Y126-Q130 HydrophobicContact CE2-CG 4.16Å; Y126-Q130 WeakPolarHBondContact O-CG 3.31Å; Y126-Q130 PolarHBondContact O-N 3.4Å; Y126-I529 HydrophobicContact CD1-CG2 4.46Å; Y126-I529 HydrophobicContact CG-CG2 4.38Å
127W87Confident88.6Confident136 Ų13652.1 Ų52.152%0.51526%0.258SS..Hα-helixtrans-68.6-33.3-175.9-73.7109.3000112.7R123 Q130 C131R123-W127 PolarHBondContact O-N 2.63Å; W127-Q130 PolarHBondContact O-N 2.97Å; W127-C131 WeakPolarHBondContact O-CB 3.23Å; W127-C131 PolarHBondContact O-N 3.43Å
128T91.3Very high88.9Confident48 Ų4848 Ų4829%0.29424%0.237SC..Hα-helixtrans-66.3-44.2172.855.40000111.3L44 V124 V125 Y126 Q130 C131 L132L44-T128 VanDerWaalsContact CD1-OG1 3.31Å; L44-T128 WeakPolarHBondContact CD1-OG1 3.23Å; V124-T128 HydrophobicContact CG1-CG2 4.15Å; V124-T128 VanDerWaalsContact O-CB 3.26Å; V124-T128 WeakPolarHBondContact O-CB 3.47Å; V124-T128 WeakPolarHBondContact O-CG2 3.17Å; V124-T128 PolarHBondContact O-N 3.22Å; V124-T128 PolarHBondContact O-OG1 3.25Å; V125-T128 PolarHBondContact O-OG1 3.46Å; Y126-T128 VanDerWaalsContact C-N 3.33Å; Y126-T128 PolarHBondContact O-N 2.82Å; T128-Q130 PolarHBondContact O-N 3.03Å; T128-C131 PolarHBondContact O-N 2.97Å; T128-L132 WeakPolarHBondContact O-CB 2.94Å; T128-L132 WeakPolarHBondContact O-CD1 3.38Å; T128-L132 VanDerWaalsContact O-CG 3.26Å; T128-L132 WeakPolarHBondContact O-CG 3.47Å; T128-L132 PolarHBondContact O-N 3.45Å
129S90Very high89.2Confident4 Ų450.1 Ų50.13%0.02825%0.246CC..Hα-helixtrans-61.7-39.7174.2-69.30000112.7V125 Y126 L132 T133V125-S129 VanDerWaalsContact O-CB 3.3Å; V125-S129 WeakPolarHBondContact O-CB 3.49Å; V125-S129 PolarHBondContact O-N 2.96Å; V125-S129 PolarHBondContact O-OG 3.02Å; V125-S129 VanDerWaalsContact O-OG 3.06Å; Y126-S129 PolarHBondContact O-N 3.42Å; S129-L132 PolarHBondContact O-N 2.85Å; S129-T133 WeakPolarHBondContact O-CB 3.34Å; S129-T133 PolarHBondContact O-N 2.95Å; S129-T133 PolarHBondContact O-OG1 3.44Å
130Q87.3Confident89.2Confident27 Ų2748.9 Ų48.913%0.12624%0.238CC..Hα-helixtrans-65.9-45.6175.7-66.6-57.5-23.500111.8Y126 W127 T128 L132 T133 W134Y126-Q130 HydrophobicContact CD1-CG 4.3Å; Y126-Q130 HydrophobicContact CE1-CG 3.93Å; Y126-Q130 HydrophobicContact CE2-CG 4.16Å; Y126-Q130 WeakPolarHBondContact O-CG 3.31Å; Y126-Q130 PolarHBondContact O-N 3.4Å; W127-Q130 PolarHBondContact O-N 2.97Å; T128-Q130 PolarHBondContact O-N 3.03Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.49Å; Q130-T133 PolarHBondContact O-N 3.05Å; Q130-W134 PolarHBondContact O-N 2.89Å; Q130-W134 VanDerWaalsContact OE1-CD1 3.28Å; Q130-W134 VanDerWaalsContact OE1-NE1 3.12Å
131C90.6Very high89.3Confident64 Ų6445.3 Ų45.343%0.43222%0.215SC..Hα-helixtrans-60.7-42.7175.7-1770000111.8W127 T128 L135 L136W127-C131 WeakPolarHBondContact O-CB 3.23Å; W127-C131 PolarHBondContact O-N 3.43Å; T128-C131 PolarHBondContact O-N 2.97Å; C131-L135 WeakPolarHBondContact O-CA 3.46Å; C131-L135 WeakPolarHBondContact O-CB 3.47Å; C131-L135 PolarHBondContact O-N 3.24Å; C131-L136 PolarHBondContact O-N 3.32Å
132L91.6Very high89.3Confident4 Ų443.4 Ų43.42%0.02121%0.208CC..Iπ-helixtrans-61.5-45175.6-76.7164.1000112L40 A41 L44 T128 S129 Q130 L136 L137L40-L132 HydrophobicContact CB-CD1 4.48Å; L40-L132 HydrophobicContact CD2-CD1 3.99Å; L40-L132 HydrophobicContact CD2-CD2 4.22Å; L40-L132 HydrophobicContact CG-CD1 3.92Å; A41-L132 HydrophobicContact CB-CD1 4.49Å; L44-L132 HydrophobicContact CD1-CD1 3.68Å; T128-L132 WeakPolarHBondContact O-CB 2.94Å; T128-L132 WeakPolarHBondContact O-CD1 3.38Å; T128-L132 VanDerWaalsContact O-CG 3.26Å; T128-L132 WeakPolarHBondContact O-CG 3.47Å; T128-L132 PolarHBondContact O-N 3.45Å; S129-L132 PolarHBondContact O-N 2.85Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.49Å; L132-L136 HydrophobicContact CD2-CB 4.25Å; L132-L136 HydrophobicContact CD2-CD2 3.6Å; L132-L136 HydrophobicContact CD2-CG 4.47Å; L132-L137 HydrophobicContact CB-CD1 4.23Å; L132-L137 HydrophobicContact CB-CG 4.44Å; L132-L137 HydrophobicContact CD2-CG 4.37Å; L132-L137 VanDerWaalsContact O-CB 3.23Å; L132-L137 WeakPolarHBondContact O-CB 3.29Å; L132-L137 VanDerWaalsContact O-CG 3.26Å; L132-L137 WeakPolarHBondContact O-CG 3.43Å; L132-L137 PolarHBondContact O-N 3.29Å
133T89.3Confident89.4Confident1 Ų144.4 Ų44.41%0.00621%0.212CC..Iπ-helixtrans-69.7-43.3-175.3-56.70000112.6S129 Q130 P138 M493 C496 R497S129-T133 WeakPolarHBondContact O-CB 3.34Å; S129-T133 PolarHBondContact O-N 2.95Å; S129-T133 PolarHBondContact O-OG1 3.44Å; Q130-T133 PolarHBondContact O-N 3.05Å; T133-P138 WeakPolarHBondContact O-CD 3.4Å; T133-P138 WeakPolarHBondContact O-CG 3.38Å; T133-M493 HydrophobicContact CG2-CG 4.19Å; T133-C496 WeakPolarHBondContact OG1-CB 3.44Å; T133-R497 HydrophobicContact CG2-CB 4.08Å
134W86.7Confident89.2Confident92 Ų9238.7 Ų38.735%0.34820%0.196SC..Iπ-helixtrans-103-15.4-168.7-66.3105.9000114.6Q130 Y166 A204Q130-W134 PolarHBondContact O-N 2.89Å; Q130-W134 VanDerWaalsContact OE1-CD1 3.28Å; Q130-W134 VanDerWaalsContact OE1-NE1 3.12Å; W134-Y166 HydrophobicContact CE3-CE1 4.1Å; W134-Y166 PolarHBondContact O-OH 2.9Å; W134-A204 HydrophobicContact CZ2-CB 4.04Å
135L89Confident89Confident119 Ų11938.9 Ų38.962%0.62319%0.188SC*.Iπ-helixtrans-125.9-60.9-176.7-173.967.5000111.6C131 F139C131-L135 WeakPolarHBondContact O-CA 3.46Å; C131-L135 WeakPolarHBondContact O-CB 3.47Å; C131-L135 PolarHBondContact O-N 3.24Å; L135-F139 WeakPolarHBondContact O-CB 3.46Å; L135-F139 PolarHBondContact O-N 3.44Å
136L91.4Very high88.8Confident57 Ų5738.7 Ų38.730%0.29819%0.187SC..Iπ-helixtrans-73.1-53.5-166.2-163.969000112.8C131 L132 F139 M140C131-L136 PolarHBondContact O-N 3.32Å; L132-L136 HydrophobicContact CD2-CB 4.25Å; L132-L136 HydrophobicContact CD2-CD2 3.6Å; L132-L136 HydrophobicContact CD2-CG 4.47Å; L136-F139 PolarHBondContact O-N 2.88Å; L136-M140 HydrophobicContact CD1-CE 3.65Å; L136-M140 HydrophobicContact CD2-CE 3.64Å; L136-M140 HydrophobicContact CD2-SD 4.48Å; L136-M140 HydrophobicContact CG-CE 3.47Å; L136-M140 VanDerWaalsContact CG-CE 3.47Å; L136-M140 HydrophobicContact CG-CG 4.47Å; L136-M140 HydrophobicContact CG-SD 4.06Å; L136-M140 WeakPolarHBondContact O-CB 3.18Å; L136-M140 WeakPolarHBondContact O-CG 3.44Å; L136-M140 PolarHBondContact O-N 3.46Å
137L90.8Very high88.7Confident0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-67.2-43.7-175.6-63.6171.7000112.9A41 L132 F139 M140 Q141 Q489 M493A41-L137 HydrophobicContact CB-CD1 4.08Å; L132-L137 HydrophobicContact CB-CD1 4.23Å; L132-L137 HydrophobicContact CB-CG 4.44Å; L132-L137 HydrophobicContact CD2-CG 4.37Å; L132-L137 VanDerWaalsContact O-CB 3.23Å; L132-L137 WeakPolarHBondContact O-CB 3.29Å; L132-L137 VanDerWaalsContact O-CG 3.26Å; L132-L137 WeakPolarHBondContact O-CG 3.43Å; L132-L137 PolarHBondContact O-N 3.29Å; L137-F139 VanDerWaalsContact C-N 3.34Å; L137-F139 PolarHBondContact O-N 3.26Å; L137-M140 PolarHBondContact O-N 3.01Å; L137-Q141 WeakPolarHBondContact O-CG 3.38Å; L137-Q141 PolarHBondContact O-N 3.41Å; L137-Q489 HydrophobicContact CD2-CB 4.44Å; L137-Q489 HydrophobicContact CD2-CG 4.35Å; L137-M493 HydrophobicContact CB-CB 4.28Å; L137-M493 HydrophobicContact CD1-CB 3.98Å; L137-M493 VanDerWaalsContact CD1-N 3.35Å
138P91.1Very high88.6Confident6 Ų631.6 Ų31.64%0.03916%0.163CC..Hα-helixtrans-60.6-41.2175.2-25.136.4000112.9T133 Q141 S142 N162 Y166 M493T133-P138 WeakPolarHBondContact O-CD 3.4Å; T133-P138 WeakPolarHBondContact O-CG 3.38Å; P138-Q141 PolarHBondContact O-N 3.16Å; P138-S142 PolarHBondContact O-N 3.17Å; P138-N162 WeakPolarHBondContact CB-OD1 3.42Å; P138-N162 PolarHBondContact O-ND2 2.97Å; P138-Y166 WeakPolarHBondContact CB-OH 3.43Å; P138-Y166 VanDerWaalsContact CG-OH 3.31Å; P138-Y166 WeakPolarHBondContact CG-OH 3.48Å; P138-M493 HydrophobicContact CG-CE 3.92Å; P138-M493 HydrophobicContact CG-SD 4.05Å
139F91Very high88.3Confident50 Ų5032.1 Ų32.122%0.21916%0.161CC..Hα-helixtrans-60.9-49.1173.6174-97.2000111.6L135 L136 L137 Q141 S142 Y143 I155 A158 L159 N162L135-F139 WeakPolarHBondContact O-CB 3.46Å; L135-F139 PolarHBondContact O-N 3.44Å; L136-F139 PolarHBondContact O-N 2.88Å; L137-F139 VanDerWaalsContact C-N 3.34Å; L137-F139 PolarHBondContact O-N 3.26Å; F139-Q141 VanDerWaalsContact C-N 3.27Å; F139-Q141 PolarHBondContact O-N 3.44Å; F139-S142 PolarHBondContact O-N 3.47Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.24Å; F139-I155 HydrophobicContact CE2-CG2 4.42Å; F139-I155 HydrophobicContact CZ-CG1 4.35Å; F139-I155 HydrophobicContact CZ-CG2 4.23Å; F139-A158 HydrophobicContact CD2-CB 4.05Å; F139-A158 HydrophobicContact CE2-CB 3.77Å; F139-A158 HydrophobicContact CZ-CB 4.37Å; F139-L159 HydrophobicContact CD2-CD2 4.15Å; F139-L159 HydrophobicContact CE2-CD2 3.96Å; F139-L159 HydrophobicContact CE2-CG 4.05Å; F139-N162 WeakPolarHBondContact CA-ND2 3.45Å
140M89.9Confident88.2Confident12 Ų1234.7 Ų34.76%0.05918%0.179CC..Hα-helixtrans-66.3-29.3-178.8-65.3176.4172.300112.5M33 L136 L137 Y143 A144 Q489M33-M140 HydrophobicContact CB-CE 4.07Å; M33-M140 WeakPolarHBondContact O-CE 3.41Å; M33-M140 VanDerWaalsContact O-SD 3.33Å; L136-M140 HydrophobicContact CD1-CE 3.65Å; L136-M140 HydrophobicContact CD2-CE 3.64Å; L136-M140 HydrophobicContact CD2-SD 4.48Å; L136-M140 HydrophobicContact CG-CE 3.47Å; L136-M140 VanDerWaalsContact CG-CE 3.47Å; L136-M140 HydrophobicContact CG-CG 4.47Å; L136-M140 HydrophobicContact CG-SD 4.06Å; L136-M140 WeakPolarHBondContact O-CB 3.18Å; L136-M140 WeakPolarHBondContact O-CG 3.44Å; L136-M140 PolarHBondContact O-N 3.46Å; L137-M140 PolarHBondContact O-N 3.01Å; M140-Y143 PolarHBondContact O-N 3.32Å; M140-A144 VanDerWaalsContact O-CB 3.32Å; M140-A144 WeakPolarHBondContact O-CB 3.42Å; M140-A144 PolarHBondContact O-N 2.94Å; M140-Q489 PolarHBondContact O-OE1 3.31Å
141Q89.3Confident88.1Confident16 Ų1639 Ų398%0.07520%0.201CC..Hα-helixtrans-63.2-51.9172.8-79.5177.5-24.500111.9L137 P138 F139 Y143 A144 R145 Y486 Q489 F490L137-Q141 WeakPolarHBondContact O-CG 3.38Å; L137-Q141 PolarHBondContact O-N 3.41Å; P138-Q141 PolarHBondContact O-N 3.16Å; F139-Q141 VanDerWaalsContact C-N 3.27Å; F139-Q141 PolarHBondContact O-N 3.44Å; Q141-Y143 VanDerWaalsContact C-N 3.27Å; Q141-Y143 PolarHBondContact O-N 3.14Å; Q141-A144 PolarHBondContact O-N 3.1Å; Q141-R145 WeakPolarHBondContact O-CB 3.27Å; Q141-R145 PolarHBondContact O-N 3.43Å; Q141-Y486 HydrophobicContact CB-CD2 4Å; Q141-Y486 HydrophobicContact CB-CE2 4.21Å; Q141-Y486 HydrophobicContact CG-CD2 4.01Å; Q141-Y486 HydrophobicContact CG-CE2 4.26Å; Q141-Y486 PolarHBondContact NE2-O 2.8Å; Q141-Q489 HydrophobicContact CG-CB 3.56Å; Q141-Q489 HydrophobicContact CG-CG 4.44Å; Q141-F490 VanDerWaalsContact NE2-CB 3.31Å
142S88.9Confident88Confident11 Ų1141 Ų418%0.07721%0.212CC..Hα-helixtrans-64.4-35.1176.5-66.90000111.8P138 F139 R145 S146 E161 N162P138-S142 PolarHBondContact O-N 3.17Å; F139-S142 PolarHBondContact O-N 3.47Å; S142-R145 PolarHBondContact O-N 2.92Å; S142-S146 PolarHBondContact O-N 3.25Å; S142-S146 VanDerWaalsContact O-N 3.11Å; S142-E161 WeakPolarHBondContact CB-OE2 3.44Å; S142-E161 PolarHBondContact OG-OE2 2.98Å; S142-E161 VanDerWaalsContact OG-OE2 3.11Å; S142-N162 WeakPolarHBondContact CB-ND2 3.5Å; S142-N162 PolarHBondContact OG-ND2 2.9Å
143Y89.3Confident87.7Confident24 Ų2441.9 Ų41.99%0.09422%0.222CC..Hα-helixtrans-63.5-48.2174.8-178.5-91.9000112.1Q31 M33 F139 M140 Q141 R145 S146 K154 I155Q31-Y143 VanDerWaalsContact OE1-CD1 3.25Å; M33-Y143 HydrophobicContact CE-CE1 4.14Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.24Å; M140-Y143 PolarHBondContact O-N 3.32Å; Q141-Y143 VanDerWaalsContact C-N 3.27Å; Q141-Y143 PolarHBondContact O-N 3.14Å; Y143-R145 VanDerWaalsContact C-N 3.29Å; Y143-R145 PolarHBondContact O-N 3Å; Y143-S146 PolarHBondContact O-N 3.36Å; Y143-S146 PolarHBondContact O-OG 2.97Å; Y143-K154 HydrophobicContact CD2-CB 3.7Å; Y143-K154 HydrophobicContact CE2-CB 3.41Å; Y143-K154 VanDerWaalsContact CE2-CB 3.41Å; Y143-K154 HydrophobicContact CE2-CD 4.21Å; Y143-K154 HydrophobicContact CE2-CG 4.44Å; Y143-I155 HydrophobicContact CD2-CG1 4.15Å; Y143-I155 HydrophobicContact CE2-CG1 3.89Å
144A85.3Confident87.7Confident28 Ų2843.7 Ų43.723%0.23123%0.23CC..Hα-helixtrans-63.6-35.6179.200000112.2V34 M140 Q141 A485V34-A144 HydrophobicContact CG2-CB 4.17Å; M140-A144 VanDerWaalsContact O-CB 3.32Å; M140-A144 WeakPolarHBondContact O-CB 3.42Å; M140-A144 PolarHBondContact O-N 2.94Å; Q141-A144 PolarHBondContact O-N 3.1Å; A144-A485 HydrophobicContact CB-CB 3.97Å
145R83.1Confident87.9Confident89 Ų8942.5 Ų42.534%0.33623%0.23SC..Hα-helixtrans-77.2-15.6178.6175.3163.183.9165.54.9114.6Q141 S142 Y143 G147 E161 K325 Y329Q141-R145 WeakPolarHBondContact O-CB 3.27Å; Q141-R145 PolarHBondContact O-N 3.43Å; S142-R145 PolarHBondContact O-N 2.92Å; Y143-R145 VanDerWaalsContact C-N 3.29Å; Y143-R145 PolarHBondContact O-N 3Å; R145-G147 PolarHBondContact O-N 3.37Å; R145-E161 IonicContact CZ-OE2 3.73Å; R145-E161 IonicContact NE-OE2 2.86Å; R145-E161 IonicContact NH2-OE1 3.03Å; R145-E161 IonicContact NH2-OE2 2.73Å; R145-E161 PolarHBondContact NH2-OE2 3.39Å; R145-K325 WeakPolarHBondContact O-CE 3.45Å; R145-Y329 WeakPolarHBondContact CD-OH 3.23Å; R145-Y329 HydrophobicContact CG-CE2 4.19Å; R145-Y329 WeakPolarHBondContact CG-OH 3.47Å
146S86.1Confident87.9Confident2 Ų243.5 Ų43.51%0.01423%0.229CC..  trans-71.2129-175.6680000112.1S142 Y143 G148 K154S142-S146 PolarHBondContact O-N 3.25Å; S142-S146 VanDerWaalsContact O-N 3.11Å; Y143-S146 PolarHBondContact O-N 3.36Å; Y143-S146 PolarHBondContact O-OG 2.97Å; S146-G148 PolarHBondContact O-N 2.78Å; S146-K154 WeakPolarHBondContact OG-CA 3.37Å; S146-K154 WeakPolarHBondContact OG-CB 3.26Å; S146-K154 WeakPolarHBondContact OG-CD 3.32Å; S146-K154 WeakPolarHBondContact OG-CG 3.3Å
147G83Confident87.8Confident3 Ų343.2 Ų43.23%0.03123%0.23CC..  trans-79.96.1175.300000114.3R145 H324R145-G147 PolarHBondContact O-N 3.37Å; G147-H324 PolarHBondContact O-ND1 3.5Å
148G86.1Confident87.8Confident6 Ų643.2 Ų43.26%0.06223%0.23CC..  trans-61.5138.1-175.700000112.2S146 K154S146-G148 PolarHBondContact O-N 2.78Å; G148-K154 WeakPolarHBondContact O-CE 3.42Å
149F85.3Confident87.9Confident59 Ų5947.7 Ų47.726%0.25925%0.253SS..SBendtrans-77.5-23179.8-59.9-75.4000113C281 T284 I285 L320 V321 H324F149-C281 HydrophobicContact CD1-CB 4.19Å; F149-C281 HydrophobicContact CD2-CB 4.08Å; F149-C281 HydrophobicContact CE1-CB 3.93Å; F149-C281 WeakPolarHBondContact CE1-O 3.32Å; F149-C281 HydrophobicContact CE2-CB 3.82Å; F149-C281 HydrophobicContact CG-CB 4.27Å; F149-C281 HydrophobicContact CZ-CB 3.75Å; F149-T284 HydrophobicContact CD1-CG2 4.19Å; F149-I285 HydrophobicContact CE1-CD1 4.37Å; F149-I285 HydrophobicContact CE1-CG1 3.98Å; F149-I285 HydrophobicContact CZ-CD1 4.06Å; F149-I285 HydrophobicContact CZ-CG1 4.18Å; F149-L320 HydrophobicContact CE2-CB 4.07Å; F149-L320 HydrophobicContact CZ-CB 4.23Å; F149-V321 HydrophobicContact CD2-CG2 3.87Å; F149-V321 HydrophobicContact CE2-CG2 3.67Å; F149-H324 AromaticContact CD1-ND1 3.75Å; F149-H324 HydrophobicContact CE1-CB 3.97Å; F149-H324 AromaticContact CE1-CE1 3.99Å; F149-H324 AromaticContact CE1-CG 3.75Å; F149-H324 AromaticContact CE1-ND1 3.38Å; F149-H324 WeakPolarHBondContact CE1-ND1 3.26Å; F149-H324 HydrophobicContact CZ-CB 3.82Å; F149-H324 AromaticContact CZ-ND1 3.96Å
150S86.9Confident87.9Confident58 Ų5849.5 Ų49.541%0.40626%0.264SS..SBendtrans-111.6150.5179.465.90000112.6T152 G153 K154S150-T152 VanDerWaalsContact C-N 3.28Å; S150-T152 PolarHBondContact O-N 2.95Å; S150-T152 PolarHBondContact OG-OG1 3.12Å; S150-G153 PolarHBondContact O-N 2.93Å; S150-G153 PolarHBondContact OG-N 3.07Å; S150-G153 VanDerWaalsContact OG-N 3.07Å; S150-K154 WeakPolarHBondContact O-CG 3.34Å; S150-K154 PolarHBondContact O-N 3.43Å
151I86.3Confident87.9Confident117 Ų11751.1 Ų51.160%0.627%0.271SS*.Hα-helixtrans-58.9-41.4177-64.2167.6000111K154 I155I151-K154 PolarHBondContact O-N 3.17Å; I151-I155 HydrophobicContact CG2-CD1 3.9Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 WeakPolarHBondContact O-CG1 3.46Å; I151-I155 PolarHBondContact O-N 3.16Å
152T87.1Confident88Confident108 Ų10851.1 Ų51.166%0.66327%0.272SS*.Hα-helixtrans-64.3-41177.550.30000111.9S150 I155 K156S150-T152 VanDerWaalsContact C-N 3.28Å; S150-T152 PolarHBondContact O-N 2.95Å; S150-T152 PolarHBondContact OG-OG1 3.12Å; T152-I155 PolarHBondContact O-N 3.35Å; T152-K156 WeakPolarHBondContact O-CB 3.05Å; T152-K156 PolarHBondContact O-N 3.33Å
153G85.7Confident88.1Confident22 Ų2253.7 Ų53.723%0.22729%0.293CS..Hα-helixtrans-60.3-45.4173.200000111.8S150 K156 T157S150-G153 PolarHBondContact O-N 2.93Å; S150-G153 PolarHBondContact OG-N 3.07Å; S150-G153 VanDerWaalsContact OG-N 3.07Å; G153-K156 PolarHBondContact O-N 3.36Å; G153-T157 PolarHBondContact O-N 3.44Å; G153-T157 PolarHBondContact O-OG1 2.92Å; G153-T157 VanDerWaalsContact O-OG1 3.08Å
154K88.5Confident88.3Confident39 Ų3957.8 Ų57.817%0.1732%0.316CS..Hα-helixtrans-61.5-45.7177-65.5-163.6177.7-168.90113Y143 S146 G148 S150 I151 T157 A158Y143-K154 HydrophobicContact CD2-CB 3.7Å; Y143-K154 HydrophobicContact CE2-CB 3.41Å; Y143-K154 VanDerWaalsContact CE2-CB 3.41Å; Y143-K154 HydrophobicContact CE2-CD 4.21Å; Y143-K154 HydrophobicContact CE2-CG 4.44Å; S146-K154 WeakPolarHBondContact OG-CA 3.37Å; S146-K154 WeakPolarHBondContact OG-CB 3.26Å; S146-K154 WeakPolarHBondContact OG-CD 3.32Å; S146-K154 WeakPolarHBondContact OG-CG 3.3Å; G148-K154 WeakPolarHBondContact O-CE 3.42Å; S150-K154 WeakPolarHBondContact O-CG 3.34Å; S150-K154 PolarHBondContact O-N 3.43Å; I151-K154 PolarHBondContact O-N 3.17Å; K154-T157 PolarHBondContact O-N 2.99Å; K154-A158 VanDerWaalsContact O-CB 3.29Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.43Å
155I91.1Very high88.4Confident67 Ų6761.2 Ų61.234%0.34432%0.324SS..Hα-helixtrans-63-45.8177.4-67170.2000110.4F139 Y143 I151 T152 T157 A158 L159F139-I155 HydrophobicContact CE2-CG2 4.42Å; F139-I155 HydrophobicContact CZ-CG1 4.35Å; F139-I155 HydrophobicContact CZ-CG2 4.23Å; Y143-I155 HydrophobicContact CD2-CG1 4.15Å; Y143-I155 HydrophobicContact CE2-CG1 3.89Å; I151-I155 HydrophobicContact CG2-CD1 3.9Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 WeakPolarHBondContact O-CG1 3.46Å; I151-I155 PolarHBondContact O-N 3.16Å; T152-I155 PolarHBondContact O-N 3.35Å; I155-T157 PolarHBondContact O-N 3.09Å; I155-A158 PolarHBondContact O-N 3.16Å; I155-L159 HydrophobicContact CG2-CD1 3.95Å; I155-L159 HydrophobicContact CG2-CG 4.31Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 2.98Å
156K90.6Very high88.8Confident140 Ų14060 Ų6061%0.60932%0.32SS*.Hα-helixtrans-59.7-48178.5-177.5178.4178.6178.90111.3T152 G153 A158 L159 I160T152-K156 WeakPolarHBondContact O-CB 3.05Å; T152-K156 PolarHBondContact O-N 3.33Å; G153-K156 PolarHBondContact O-N 3.36Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.89Å; K156-L159 PolarHBondContact O-N 3.43Å; K156-I160 HydrophobicContact CG-CD1 3.85Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.36Å; K156-I160 PolarHBondContact O-N 3.4Å
157T88.8Confident89Confident51 Ų5161.3 Ų61.331%0.31333%0.333SS..Hα-helixtrans-61.2-43.5176.2-59.50000111.3G153 K154 I155 L159 I160 E161G153-T157 PolarHBondContact O-N 3.44Å; G153-T157 PolarHBondContact O-OG1 2.92Å; G153-T157 VanDerWaalsContact O-OG1 3.08Å; K154-T157 PolarHBondContact O-N 2.99Å; I155-T157 PolarHBondContact O-N 3.09Å; T157-L159 PolarHBondContact O-N 2.99Å; T157-I160 PolarHBondContact O-N 3.18Å; T157-E161 HydrophobicContact CG2-CG 4.38Å; T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 2.66Å
158A90.9Very high89.3Confident0 Ų064.4 Ų64.40%035%0.351CS..Hα-helixtrans-63.4-41.6179.500000113F139 K154 I155 K156 N162F139-A158 HydrophobicContact CD2-CB 4.05Å; F139-A158 HydrophobicContact CE2-CB 3.77Å; F139-A158 HydrophobicContact CZ-CB 4.37Å; K154-A158 VanDerWaalsContact O-CB 3.29Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.43Å; I155-A158 PolarHBondContact O-N 3.16Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.89Å; A158-N162 WeakPolarHBondContact O-CB 3.31Å; A158-N162 PolarHBondContact O-N 3.05Å; A158-N162 VanDerWaalsContact O-N 3.1Å; A158-N162 PolarHBondContact O-ND2 3.37Å
159L92.1Very high89.4Confident100 Ų10069.6 Ų69.652%0.52437%0.37SS..Hα-helixtrans-65.2-43.1175.4-73.4174.7000111.7F139 I155 K156 T157 N162 A163F139-L159 HydrophobicContact CD2-CD2 4.15Å; F139-L159 HydrophobicContact CE2-CD2 3.96Å; F139-L159 HydrophobicContact CE2-CG 4.05Å; I155-L159 HydrophobicContact CG2-CD1 3.95Å; I155-L159 HydrophobicContact CG2-CG 4.31Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 2.98Å; K156-L159 PolarHBondContact O-N 3.43Å; T157-L159 PolarHBondContact O-N 2.99Å; L159-N162 PolarHBondContact O-N 3.12Å; L159-A163 WeakPolarHBondContact O-CB 3.41Å; L159-A163 PolarHBondContact O-N 2.98Å
160I91.1Very high89.6Confident87 Ų8772.7 Ų72.745%0.44639%0.389SS..Hα-helixtrans-64.4-47.4178.8-68166.5000110.7K156 T157 N162 A163 I164K156-I160 HydrophobicContact CG-CD1 3.85Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.36Å; K156-I160 PolarHBondContact O-N 3.4Å; T157-I160 PolarHBondContact O-N 3.18Å; I160-N162 VanDerWaalsContact C-N 3.34Å; I160-N162 PolarHBondContact O-N 3.46Å; I160-A163 PolarHBondContact O-N 2.89Å; I160-I164 HydrophobicContact CG2-CD1 3.81Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.49Å; I160-I164 PolarHBondContact O-N 3.03Å
161E89.5Confident89.9Confident46 Ų4676.2 Ų76.222%0.21540%0.402CS..Hα-helixtrans-58.9-44.7178.5-74.4-172.4-17500111.6S142 R145 T157 Y165S142-E161 WeakPolarHBondContact CB-OE2 3.44Å; S142-E161 PolarHBondContact OG-OE2 2.98Å; S142-E161 VanDerWaalsContact OG-OE2 3.11Å; R145-E161 IonicContact CZ-OE2 3.73Å; R145-E161 IonicContact NE-OE2 2.86Å; R145-E161 IonicContact NH2-OE1 3.03Å; R145-E161 IonicContact NH2-OE2 2.73Å; R145-E161 PolarHBondContact NH2-OE2 3.39Å; T157-E161 HydrophobicContact CG2-CG 4.38Å; T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 2.66Å; E161-Y165 PolarHBondContact O-N 2.88Å; E161-Y165 VanDerWaalsContact O-N 3.13Å
162N91.8Very high90Very high17 Ų1775.2 Ų75.29%0.09140%0.397CS..Hα-helixtrans-70.3-39177.4-79-77.5000112.3P138 F139 S142 A158 L159 I160 I164 Y165 Y166P138-N162 WeakPolarHBondContact CB-OD1 3.42Å; P138-N162 PolarHBondContact O-ND2 2.97Å; F139-N162 WeakPolarHBondContact CA-ND2 3.45Å; S142-N162 WeakPolarHBondContact CB-ND2 3.5Å; S142-N162 PolarHBondContact OG-ND2 2.9Å; A158-N162 WeakPolarHBondContact O-CB 3.31Å; A158-N162 PolarHBondContact O-N 3.05Å; A158-N162 VanDerWaalsContact O-N 3.1Å; A158-N162 PolarHBondContact O-ND2 3.37Å; L159-N162 PolarHBondContact O-N 3.12Å; I160-N162 VanDerWaalsContact C-N 3.34Å; I160-N162 PolarHBondContact O-N 3.46Å; N162-I164 VanDerWaalsContact C-N 3.31Å; N162-I164 PolarHBondContact O-N 3.37Å; N162-Y165 PolarHBondContact O-N 3.01Å; N162-Y166 HydrophobicContact CB-CD2 4.13Å; N162-Y166 HydrophobicContact CB-CE2 4.05Å; N162-Y166 WeakPolarHBondContact O-CD2 3.41Å; N162-Y166 PolarHBondContact O-N 3.49Å
163A92Very high89.9Confident64 Ų6473.4 Ų73.453%0.52938%0.38SS..Hα-helixtrans-63.4-37.7177.400000111.9L159 I160 G167L159-A163 WeakPolarHBondContact O-CB 3.41Å; L159-A163 PolarHBondContact O-N 2.98Å; I160-A163 PolarHBondContact O-N 2.89Å; A163-G167 VanDerWaalsContact O-CA 3.31Å; A163-G167 WeakPolarHBondContact O-CA 3.35Å; A163-G167 PolarHBondContact O-N 3.02Å
164I92.3Very high89.9Confident110 Ų11073.5 Ų73.556%0.56438%0.381SS*.Hα-helixtrans-62.9-49.9172.3-67.2164.6000109.6I160 N162 G167 T168I160-I164 HydrophobicContact CG2-CD1 3.81Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.49Å; I160-I164 PolarHBondContact O-N 3.03Å; N162-I164 VanDerWaalsContact C-N 3.31Å; N162-I164 PolarHBondContact O-N 3.37Å; I164-G167 PolarHBondContact O-N 3.27Å; I164-T168 WeakPolarHBondContact O-CG2 3.49Å; I164-T168 PolarHBondContact O-N 2.95Å
165Y88.1Confident89.9Confident101 Ų10174.9 Ų74.940%0.39640%0.396SS..Hα-helixtrans-58.7-56.8-179.8-173.3-101.2000112E161 N162 G167 T168 Y169E161-Y165 PolarHBondContact O-N 2.88Å; E161-Y165 VanDerWaalsContact O-N 3.13Å; N162-Y165 PolarHBondContact O-N 3.01Å; Y165-G167 VanDerWaalsContact C-N 3.31Å; Y165-G167 PolarHBondContact O-N 2.92Å; Y165-T168 PolarHBondContact O-N 3.15Å; Y165-T168 PolarHBondContact O-OG1 3.49Å; Y165-Y169 HydrophobicContact CD1-CD2 4.01Å; Y165-Y169 AromaticContact CD1-CE2 3.71Å; Y165-Y169 HydrophobicContact CD1-CE2 3.71Å; Y165-Y169 HydrophobicContact CD2-CE2 4.14Å; Y165-Y169 AromaticContact CE1-CD2 3.91Å; Y165-Y169 HydrophobicContact CE1-CD2 3.91Å; Y165-Y169 AromaticContact CE1-CE2 3.24Å; Y165-Y169 HydrophobicContact CE1-CE2 3.24Å; Y165-Y169 AromaticContact CE2-CE2 3.73Å; Y165-Y169 HydrophobicContact CE2-CE2 3.73Å; Y165-Y169 HydrophobicContact CG-CD2 4.5Å; Y165-Y169 HydrophobicContact CG-CE2 4.14Å; Y165-Y169 AromaticContact CZ-CE2 3.27Å; Y165-Y169 AromaticContact CZ-CZ 3.85Å; Y165-Y169 VanDerWaalsContact O-CD2 3.26Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.43Å; Y165-Y169 PolarHBondContact O-N 3.34Å; Y165-Y169 PolarHBondContact OH-OH 2.85Å
166Y90.6Very high89.5Confident64 Ų6476.4 Ų76.425%0.25140%0.404SS..Hα-helixtrans-66.5-31.7178.4-67.3-62.6000113.2W134 P138 N162 T168 Y169 L170W134-Y166 HydrophobicContact CE3-CE1 4.1Å; W134-Y166 PolarHBondContact O-OH 2.9Å; P138-Y166 WeakPolarHBondContact CB-OH 3.43Å; P138-Y166 VanDerWaalsContact CG-OH 3.31Å; P138-Y166 WeakPolarHBondContact CG-OH 3.48Å; N162-Y166 HydrophobicContact CB-CD2 4.13Å; N162-Y166 HydrophobicContact CB-CE2 4.05Å; N162-Y166 WeakPolarHBondContact O-CD2 3.41Å; N162-Y166 PolarHBondContact O-N 3.49Å; Y166-T168 VanDerWaalsContact C-N 3.33Å; Y166-T168 PolarHBondContact O-N 2.89Å; Y166-Y169 PolarHBondContact O-N 3.49Å; Y166-L170 WeakPolarHBondContact O-CB 3.09Å; Y166-L170 PolarHBondContact O-N 3.48Å
167G91.5Very high88.9Confident29 Ų2971.7 Ų71.730%0.29939%0.385SS..Hα-helixtrans-59.3-43.9172.700000111.7A163 I164 Y165 L170 L171A163-G167 VanDerWaalsContact O-CA 3.31Å; A163-G167 WeakPolarHBondContact O-CA 3.35Å; A163-G167 PolarHBondContact O-N 3.02Å; I164-G167 PolarHBondContact O-N 3.27Å; Y165-G167 VanDerWaalsContact C-N 3.31Å; Y165-G167 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 3.5Å; G167-L171 WeakPolarHBondContact O-CG 3.46Å; G167-L171 PolarHBondContact O-N 2.9Å
168T90.1Very high88.7Confident67 Ų6774.7 Ų74.741%0.41140%0.398SS..Hα-helixtrans-64-40.7175.260.80000112.8I164 Y165 Y166 L170 L171 I172I164-T168 WeakPolarHBondContact O-CG2 3.49Å; I164-T168 PolarHBondContact O-N 2.95Å; Y165-T168 PolarHBondContact O-N 3.15Å; Y165-T168 PolarHBondContact O-OG1 3.49Å; Y166-T168 VanDerWaalsContact C-N 3.33Å; Y166-T168 PolarHBondContact O-N 2.89Å; T168-L170 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 3.42Å; T168-L171 PolarHBondContact O-N 3.29Å; T168-I172 WeakPolarHBondContact O-CG1 3.26Å; T168-I172 PolarHBondContact O-N 2.99Å; T168-I172 VanDerWaalsContact O-N 3.07Å
169Y87.6Confident88.3Confident116 Ų11681.9 Ų81.946%0.45543%0.427SS..Hα-helixtrans-63-40.7173.8-78.3-72.4000112.6Y165 Y166 L171 I172 F173Y165-Y169 HydrophobicContact CD1-CD2 4.01Å; Y165-Y169 AromaticContact CD1-CE2 3.71Å; Y165-Y169 HydrophobicContact CD1-CE2 3.71Å; Y165-Y169 HydrophobicContact CD2-CE2 4.14Å; Y165-Y169 AromaticContact CE1-CD2 3.91Å; Y165-Y169 HydrophobicContact CE1-CD2 3.91Å; Y165-Y169 AromaticContact CE1-CE2 3.24Å; Y165-Y169 HydrophobicContact CE1-CE2 3.24Å; Y165-Y169 AromaticContact CE2-CE2 3.73Å; Y165-Y169 HydrophobicContact CE2-CE2 3.73Å; Y165-Y169 HydrophobicContact CG-CD2 4.5Å; Y165-Y169 HydrophobicContact CG-CE2 4.14Å; Y165-Y169 AromaticContact CZ-CE2 3.27Å; Y165-Y169 AromaticContact CZ-CZ 3.85Å; Y165-Y169 VanDerWaalsContact O-CD2 3.26Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.43Å; Y165-Y169 PolarHBondContact O-N 3.34Å; Y165-Y169 PolarHBondContact OH-OH 2.85Å; Y166-Y169 PolarHBondContact O-N 3.49Å; Y169-L171 VanDerWaalsContact C-N 3.31Å; Y169-L171 PolarHBondContact O-N 3.48Å; Y169-I172 PolarHBondContact O-N 3.24Å; Y169-F173 VanDerWaalsContact O-CB 3.26Å; Y169-F173 WeakPolarHBondContact O-CB 3.21Å; Y169-F173 PolarHBondContact O-N 2.61Å
170L88.8Confident87.6Confident124 Ų12479.7 Ų79.765%0.64942%0.417SS*.Hα-helixtrans-64.6-37.8178.4-171.168.9000111.2Y166 G167 T168 G174Y166-L170 WeakPolarHBondContact O-CB 3.09Å; Y166-L170 PolarHBondContact O-N 3.48Å; G167-L170 PolarHBondContact O-N 3.5Å; T168-L170 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 3.42Å; L170-G174 PolarHBondContact O-N 2.88Å
171L92.5Very high86.8Confident131 Ų13177 Ų7769%0.68641%0.408SS*.Hα-helixtrans-65-44.8174.7-71.7176.3000112.2G167 T168 Y169 G174 S175G167-L171 WeakPolarHBondContact O-CG 3.46Å; G167-L171 PolarHBondContact O-N 2.9Å; T168-L171 PolarHBondContact O-N 3.29Å; Y169-L171 VanDerWaalsContact C-N 3.31Å; Y169-L171 PolarHBondContact O-N 3.48Å; L171-G174 PolarHBondContact O-N 3.42Å; L171-S175 PolarHBondContact O-N 3.47Å; L171-S175 PolarHBondContact O-OG 2.86Å
172I89.1Confident86.3Confident97 Ų9780.3 Ų80.350%0.49743%0.431SS..Hα-helixtrans-64.3-44.4176.8-64.9165.1000110.6T168 Y169 S175 L176T168-I172 WeakPolarHBondContact O-CG1 3.26Å; T168-I172 PolarHBondContact O-N 2.99Å; T168-I172 VanDerWaalsContact O-N 3.07Å; Y169-I172 PolarHBondContact O-N 3.24Å; I172-S175 PolarHBondContact O-N 2.9Å; I172-S175 PolarHBondContact O-OG 3.5Å; I172-L176 HydrophobicContact CG2-CD1 4.15Å; I172-L176 WeakPolarHBondContact O-CG 3.4Å; I172-L176 PolarHBondContact O-N 3.43Å
173F84.8Confident85.6Confident69 Ų6983.1 Ų83.130%0.30344%0.444SS..Hα-helixtrans-65-41.6177.9-177.1-108.1000111.4Y169 L176 L177 L196 I199Y169-F173 VanDerWaalsContact O-CB 3.26Å; Y169-F173 WeakPolarHBondContact O-CB 3.21Å; Y169-F173 PolarHBondContact O-N 2.61Å; F173-L176 PolarHBondContact O-N 2.92Å; F173-L177 HydrophobicContact CD1-CD1 3.87Å; F173-L177 HydrophobicContact CD1-CG 4.34Å; F173-L177 HydrophobicContact CE1-CD1 3.41Å; F173-L177 VanDerWaalsContact CE1-CD1 3.41Å; F173-L177 HydrophobicContact CE1-CG 4.02Å; F173-L177 HydrophobicContact CZ-CD1 3.89Å; F173-L177 HydrophobicContact CZ-CD2 4.26Å; F173-L177 HydrophobicContact CZ-CG 4.1Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 2.89Å; F173-L196 HydrophobicContact CE1-CD1 3.98Å; F173-L196 HydrophobicContact CZ-CD1 3.75Å; F173-I199 HydrophobicContact CE2-CG2 4.32Å
174G87Confident84.4Confident25 Ų2585.6 Ų85.626%0.25845%0.454SS..Hα-helixtrans-62.2-42.2175.300000112.8L170 L171 L177 I178L170-G174 PolarHBondContact O-N 2.88Å; L171-G174 PolarHBondContact O-N 3.42Å; G174-L177 PolarHBondContact O-N 3.43Å; G174-I178 VanDerWaalsContact O-CG1 3.28Å; G174-I178 WeakPolarHBondContact O-CG1 3.33Å; G174-I178 PolarHBondContact O-N 3.07Å
175S87.4Confident83.2Confident68 Ų6886 Ų8648%0.47646%0.458SS..Hα-helixtrans-67.3-38.5177.167.10000112.3L171 I172 I178 Y179L171-S175 PolarHBondContact O-N 3.47Å; L171-S175 PolarHBondContact O-OG 2.86Å; I172-S175 PolarHBondContact O-N 2.9Å; I172-S175 PolarHBondContact O-OG 3.5Å; S175-I178 PolarHBondContact O-N 2.88Å; S175-Y179 PolarHBondContact O-N 3.2Å
176L82.7Confident82Confident98 Ų9888.8 Ų88.851%0.51347%0.468SS..Hα-helixtrans-64-40.9172.5-74.9168.7000112I172 F173 Y179 V180I172-L176 HydrophobicContact CG2-CD1 4.15Å; I172-L176 WeakPolarHBondContact O-CG 3.4Å; I172-L176 PolarHBondContact O-N 3.43Å; F173-L176 PolarHBondContact O-N 2.92Å; L176-Y179 WeakPolarHBondContact O-CB 3.41Å; L176-Y179 PolarHBondContact O-N 3.47Å; L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 2.97Å
177L79.3Confident80.4Confident42 Ų4289 Ų8922%0.2248%0.476CS..Hα-helixtrans-63.6-40.6174.5-77.5-178.8000112F173 G174 Y179 V180 A181 L191 L196F173-L177 HydrophobicContact CD1-CD1 3.87Å; F173-L177 HydrophobicContact CD1-CG 4.34Å; F173-L177 HydrophobicContact CE1-CD1 3.41Å; F173-L177 VanDerWaalsContact CE1-CD1 3.41Å; F173-L177 HydrophobicContact CE1-CG 4.02Å; F173-L177 HydrophobicContact CZ-CD1 3.89Å; F173-L177 HydrophobicContact CZ-CD2 4.26Å; F173-L177 HydrophobicContact CZ-CG 4.1Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 2.89Å; G174-L177 PolarHBondContact O-N 3.43Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-V180 PolarHBondContact O-N 3.24Å; L177-A181 VanDerWaalsContact O-CB 3.27Å; L177-A181 WeakPolarHBondContact O-CB 3.28Å; L177-A181 PolarHBondContact O-N 3.13Å; L177-L191 HydrophobicContact CD2-CD2 4.27Å; L177-L196 HydrophobicContact CD1-CD1 3.98Å; L177-L196 HydrophobicContact CD2-CD1 4.19Å
178I83.9Confident78.8Confident114 Ų11492.9 Ų92.959%0.58549%0.49SS*.Hα-helixtrans-63.9-41.1174.7-67.7163.9000110.6G174 S175 V180 A181 V182G174-I178 VanDerWaalsContact O-CG1 3.28Å; G174-I178 WeakPolarHBondContact O-CG1 3.33Å; G174-I178 PolarHBondContact O-N 3.07Å; S175-I178 PolarHBondContact O-N 2.88Å; I178-V180 PolarHBondContact O-N 3.23Å; I178-A181 WeakPolarHBondContact O-CB 3.43Å; I178-A181 PolarHBondContact O-N 3.49Å; I178-V182 HydrophobicContact CG2-CG2 4.39Å; I178-V182 VanDerWaalsContact O-CG2 3.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.37Å; I178-V182 PolarHBondContact O-N 3.34Å; I178-V182 VanDerWaalsContact O-N 3.09Å
179Y82.6Confident77.4Confident151 Ų15194.6 Ų94.659%0.59251%0.505SS*.Hα-helixtrans-59-47.2174.9172-97.9000111.8S175 L176 L177 A181 V182 H183S175-Y179 PolarHBondContact O-N 3.2Å; L176-Y179 WeakPolarHBondContact O-CB 3.41Å; L176-Y179 PolarHBondContact O-N 3.47Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-A181 VanDerWaalsContact C-N 3.34Å; Y179-A181 PolarHBondContact O-N 3.22Å; Y179-V182 PolarHBondContact O-N 3.03Å; Y179-H183 PolarHBondContact O-N 2.93Å
180V76.3Confident76.2Confident53 Ų5395.6 Ų95.632%0.32151%0.513SS..Hα-helixtrans-63.6-40.8176.7173.80000111.1L176 L177 I178 V182 H183 W186L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 2.97Å; L177-V180 PolarHBondContact O-N 3.24Å; I178-V180 PolarHBondContact O-N 3.23Å; V180-V182 VanDerWaalsContact C-N 3.26Å; V180-V182 PolarHBondContact O-N 2.92Å; V180-H183 PolarHBondContact O-N 2.95Å; V180-W186 HydrophobicContact CG1-CB 4.28Å; V180-W186 HydrophobicContact CG1-CE3 3.85Å
181A74.4Confident75.1Confident32 Ų3292.8 Ų92.826%0.26450%0.498SS..Hα-helixtrans-60.4-32.8178.700000114.3L177 I178 Y179 L188L177-A181 VanDerWaalsContact O-CB 3.27Å; L177-A181 WeakPolarHBondContact O-CB 3.28Å; L177-A181 PolarHBondContact O-N 3.13Å; I178-A181 WeakPolarHBondContact O-CB 3.43Å; I178-A181 PolarHBondContact O-N 3.49Å; Y179-A181 VanDerWaalsContact C-N 3.34Å; Y179-A181 PolarHBondContact O-N 3.22Å; A181-L188 HydrophobicContact CB-CD1 3.18Å; A181-L188 HydrophobicContact CB-CG 4.42Å
182V79.8Confident74.3Confident115 Ų11589 Ų8970%0.69748%0.483SS*.Hα-helixtrans-89-15.4-177.9175.90000111.1I178 Y179 V180I178-V182 HydrophobicContact CG2-CG2 4.39Å; I178-V182 VanDerWaalsContact O-CG2 3.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.37Å; I178-V182 PolarHBondContact O-N 3.34Å; I178-V182 VanDerWaalsContact O-N 3.09Å; Y179-V182 PolarHBondContact O-N 3.03Å; V180-V182 VanDerWaalsContact C-N 3.26Å; V180-V182 PolarHBondContact O-N 2.92Å
183H76.7Confident73.7Confident76 Ų7694 Ų9435%0.35250%0.496SS..SBendtrans-70.1123.4179.1-150.7-78.6000110.2Y179 V180 D185 W186Y179-H183 PolarHBondContact O-N 2.93Å; V180-H183 PolarHBondContact O-N 2.95Å; H183-D185 IonicContact CE1-OD2 2.66Å; H183-D185 PolarHBondContact CE1-OD2 3.44Å; H183-D185 VanDerWaalsContact CE1-OD2 3.26Å; H183-D185 IonicContact ND1-OD2 2.61Å; H183-D185 PolarHBondContact ND1-OD2 3.32Å; H183-D185 PolarHBondContact O-N 3.1Å; H183-W186 PolarHBondContact O-N 3.49Å; H183-W186 VanDerWaalsContact O-N 3.1Å
184P66.5Low73.1Confident115 Ų11598.1 Ų98.175%0.74751%0.51SS*.THydrogen-bonded Turntrans-63.1-18.6-169.819.9-30.8000114.6
185D66.8Low72.5Confident120 Ų120100.9 Ų100.964%0.64252%0.516SS*.THydrogen-bonded Turntrans-84.7-19.5179.8-55.7-50.8000113.8H183H183-D185 IonicContact CE1-OD2 2.66Å; H183-D185 PolarHBondContact CE1-OD2 3.44Å; H183-D185 VanDerWaalsContact CE1-OD2 3.26Å; H183-D185 IonicContact ND1-OD2 2.61Å; H183-D185 PolarHBondContact ND1-OD2 3.32Å; H183-D185 PolarHBondContact O-N 3.1Å
186W62.9Low71.8Confident159 Ų15999.8 Ų99.860%0.60251%0.505SS*.SBendtrans-13066.9-172.1-81.940.3000111.5V180 H183 L536V180-W186 HydrophobicContact CG1-CB 4.28Å; V180-W186 HydrophobicContact CG1-CE3 3.85Å; H183-W186 PolarHBondContact O-N 3.49Å; H183-W186 VanDerWaalsContact O-N 3.1Å; W186-L536 HydrophobicContact CH2-CD2 4.24Å
187P57.5Low71.5Confident67 Ų6799.4 Ų99.444%0.43550%0.501SS..  trans-63.2140.7-178.623.6-31000112.2S189 H190P187-S189 PolarHBondContact O-N 3.39Å; P187-H190 PolarHBondContact O-N 2.69Å
188L59.1Low71.1Confident111 Ų11198.1 Ų98.158%0.58150%0.495SS*.G310 helixtrans-55.5-14-177.7-152.999.7000114.7A181 H190 L191A181-L188 HydrophobicContact CB-CD1 3.18Å; A181-L188 HydrophobicContact CB-CG 4.42Å; L188-H190 PolarHBondContact O-N 3.17Å; L188-L191 PolarHBondContact O-N 2.97Å
189S60Low70.6Confident103 Ų10394.9 Ų94.972%0.7248%0.478SS*.G310 helixtrans-67.7-17.8179.652.80000114.4P187P187-S189 PolarHBondContact O-N 3.39Å
190H61.4Low70.2Confident138 Ų13889.3 Ų89.364%0.63947%0.466SS*.G310 helixtrans-89.8-17.6175.5-75.2-75.9000113.7P187 L188 S192P187-H190 PolarHBondContact O-N 2.69Å; L188-H190 PolarHBondContact O-N 3.17Å; H190-S192 PolarHBondContact O-N 3.46Å
191L67Low70.1Confident64 Ų6489.1 Ų89.134%0.33546%0.463SS..  trans-76.184.9-169.8-158.477.1000112.1L177 L188 E195 L196 I199L177-L191 HydrophobicContact CD2-CD2 4.27Å; L188-L191 PolarHBondContact O-N 2.97Å; L191-E195 HydrophobicContact CD1-CB 4.44Å; L191-L196 HydrophobicContact CD2-CD1 4.48Å; L191-I199 HydrophobicContact CD1-CD1 3.86Å
192S75.1Confident70Confident52 Ų5288.3 Ų88.336%0.36446%0.455SS..  trans-70.9158.1173.371.50000111.8H190 Y194 E195 L196H190-S192 PolarHBondContact O-N 3.46Å; S192-Y194 PolarHBondContact O-N 3.25Å; S192-Y194 VanDerWaalsContact O-N 3.16Å; S192-E195 PolarHBondContact O-N 3.27Å; S192-E195 WeakPolarHBondContact OG-CG 3.26Å; S192-E195 PolarHBondContact OG-N 3.18Å; S192-L196 PolarHBondContact O-N 3.08Å
193W75.9Confident69.8Low202 Ų20285.2 Ų85.277%0.76544%0.441SS*.Hα-helixtrans-53.7-34.4172.2174.5-102.9000112.4L196 Q197W193-L196 HydrophobicContact CE3-CD2 4.32Å; W193-L196 HydrophobicContact CZ3-CD2 4.33Å; W193-L196 PolarHBondContact O-N 3.21Å; W193-Q197 WeakPolarHBondContact O-CB 3.41Å; W193-Q197 PolarHBondContact O-N 2.93Å
194Y73.9Confident69.7Low156 Ų15682.7 Ų82.761%0.61243%0.434SS*.Hα-helixtrans-67.4-42.2177.1178.2-97.4000112.5S192 Q197 T198S192-Y194 PolarHBondContact O-N 3.25Å; S192-Y194 VanDerWaalsContact O-N 3.16Å; Y194-Q197 PolarHBondContact O-N 2.89Å; Y194-T198 WeakPolarHBondContact O-CB 3.19Å; Y194-T198 PolarHBondContact O-N 3.49Å; Y194-T198 PolarHBondContact O-OG1 3.12Å
195E72.6Confident70.1Confident82 Ų8277.7 Ų77.738%0.38340%0.401SS..Hα-helixtrans-66.4-40.5175.3-72.6176-171.200111.4L191 S192 T198 I199L191-E195 HydrophobicContact CD1-CB 4.44Å; S192-E195 PolarHBondContact O-N 3.27Å; S192-E195 WeakPolarHBondContact OG-CG 3.26Å; S192-E195 PolarHBondContact OG-N 3.18Å; E195-T198 CarbonylContact O-C 3.59Å; E195-T198 PolarHBondContact O-N 2.94Å; E195-T198 VanDerWaalsContact O-N 3.1Å; E195-I199 VanDerWaalsContact O-CG1 3.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 3.5Å
196L74.3Confident70.4Confident46 Ų4674.1 Ų74.124%0.24138%0.383CS..Hα-helixtrans-62.1-44.9175.3-175.265.1000111.9F173 L177 L191 S192 W193 T198 I199 G200F173-L196 HydrophobicContact CE1-CD1 3.98Å; F173-L196 HydrophobicContact CZ-CD1 3.75Å; L177-L196 HydrophobicContact CD1-CD1 3.98Å; L177-L196 HydrophobicContact CD2-CD1 4.19Å; L191-L196 HydrophobicContact CD2-CD1 4.48Å; S192-L196 PolarHBondContact O-N 3.08Å; W193-L196 HydrophobicContact CE3-CD2 4.32Å; W193-L196 HydrophobicContact CZ3-CD2 4.33Å; W193-L196 PolarHBondContact O-N 3.21Å; L196-T198 PolarHBondContact O-N 2.87Å; L196-I199 PolarHBondContact O-N 2.89Å; L196-G200 PolarHBondContact O-N 3.28Å
197Q75.3Confident71.2Confident89 Ų8972.3 Ų72.342%0.41638%0.376SS..Hα-helixtrans-58.4-40.2173.2-179.6178.1-800110.8W193 Y194 G200 I201W193-Q197 WeakPolarHBondContact O-CB 3.41Å; W193-Q197 PolarHBondContact O-N 2.93Å; Y194-Q197 PolarHBondContact O-N 2.89Å; Q197-G200 PolarHBondContact O-N 2.94Å; Q197-I201 HydrophobicContact CG-CD1 3.97Å; Q197-I201 WeakPolarHBondContact O-CG1 3.26Å; Q197-I201 PolarHBondContact O-N 3.2Å
198T71.3Confident72.3Confident16 Ų1669.1 Ų69.110%0.09836%0.355CS..Hα-helixtrans-71.3-39.4-179-52.80000112.7Y194 E195 L196 G200 I201 T202 V535Y194-T198 WeakPolarHBondContact O-CB 3.19Å; Y194-T198 PolarHBondContact O-N 3.49Å; Y194-T198 PolarHBondContact O-OG1 3.12Å; E195-T198 CarbonylContact O-C 3.59Å; E195-T198 PolarHBondContact O-N 2.94Å; E195-T198 VanDerWaalsContact O-N 3.1Å; L196-T198 PolarHBondContact O-N 2.87Å; T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.27Å; T198-I201 PolarHBondContact O-N 3.48Å; T198-T202 WeakPolarHBondContact O-CB 3.45Å; T198-T202 PolarHBondContact O-N 3.26Å; T198-T202 PolarHBondContact O-OG1 3.07Å; T198-V535 HydrophobicContact CG2-CB 3.36Å; T198-V535 HydrophobicContact CG2-CG1 3.18Å; T198-V535 HydrophobicContact CG2-CG2 3.82Å
199I73.7Confident73.3Confident46 Ų4664.2 Ų64.224%0.23633%0.33CS..Hα-helixtrans-59.4-43.8171.9-69.3164.3000109.7F173 L191 E195 L196 T202 A203 L536F173-I199 HydrophobicContact CE2-CG2 4.32Å; L191-I199 HydrophobicContact CD1-CD1 3.86Å; E195-I199 VanDerWaalsContact O-CG1 3.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 3.5Å; L196-I199 PolarHBondContact O-N 2.89Å; I199-T202 PolarHBondContact O-N 3.34Å; I199-A203 VanDerWaalsContact O-CB 3.27Å; I199-A203 WeakPolarHBondContact O-CB 3.47Å; I199-A203 PolarHBondContact O-N 3.33Å; I199-L536 HydrophobicContact CG1-CD1 4.47Å
200G74.1Confident74.4Confident33 Ų3363.8 Ų63.834%0.3432%0.315SS..Hα-helixtrans-61.1-46.9176.900000113.3L196 Q197 T198 A203 A204L196-G200 PolarHBondContact O-N 3.28Å; Q197-G200 PolarHBondContact O-N 2.94Å; T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.27Å; G200-A203 PolarHBondContact O-N 3.46Å; G200-A204 WeakPolarHBondContact O-CB 3.32Å; G200-A204 PolarHBondContact O-N 3.47Å
201I73.6Confident75.5Confident50 Ų5058.6 Ų58.626%0.25629%0.292SS..Hα-helixtrans-62.9-43.9176.2-67.7166.5000110.5Q197 T198 A204 N205Q197-I201 HydrophobicContact CG-CD1 3.97Å; Q197-I201 WeakPolarHBondContact O-CG1 3.26Å; Q197-I201 PolarHBondContact O-N 3.2Å; T198-I201 PolarHBondContact O-N 3.48Å; I201-A204 PolarHBondContact O-N 3.05Å; I201-N205 WeakPolarHBondContact O-CB 3.3Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 2.84Å; I201-N205 PolarHBondContact O-ND2 3.05Å
202T72.4Confident76.4Confident15 Ų1555.5 Ų55.59%0.09228%0.276CS..Hα-helixtrans-64.3-45.7-179.9-53.90000110.9T198 I199 A204 N205 T206 L536T198-T202 WeakPolarHBondContact O-CB 3.45Å; T198-T202 PolarHBondContact O-N 3.26Å; T198-T202 PolarHBondContact O-OG1 3.07Å; I199-T202 PolarHBondContact O-N 3.34Å; T202-A204 PolarHBondContact O-N 3.34Å; T202-N205 PolarHBondContact O-N 3.39Å; T202-T206 HydrophobicContact CG2-CG2 4.21Å; T202-T206 VanDerWaalsContact O-CG2 3.32Å; T202-T206 WeakPolarHBondContact O-CG2 3.47Å; T202-T206 PolarHBondContact O-N 2.87Å; T202-T206 PolarHBondContact O-OG1 3.34Å; T202-L536 HydrophobicContact CG2-CD1 3.88Å
203A74.8Confident77Confident49 Ų4953.3 Ų53.341%0.40526%0.26SS..Hα-helixtrans-63.2-40.6177.900000112.8I199 G200 N205 T206 W207I199-A203 VanDerWaalsContact O-CB 3.27Å; I199-A203 WeakPolarHBondContact O-CB 3.47Å; I199-A203 PolarHBondContact O-N 3.33Å; G200-A203 PolarHBondContact O-N 3.46Å; A203-N205 VanDerWaalsContact C-N 3.31Å; A203-N205 PolarHBondContact O-N 2.91Å; A203-T206 WeakPolarHBondContact CA-OG1 3.46Å; A203-T206 PolarHBondContact O-OG1 2.91Å; A203-W207 PolarHBondContact O-N 2.88Å
204A74.8Confident77.5Confident24 Ų2446.8 Ų46.820%0.19824%0.24CC..Hα-helixtrans-62.8-40.3174.900000111.7W134 G200 I201 T202 G208W134-A204 HydrophobicContact CZ2-CB 4.04Å; G200-A204 WeakPolarHBondContact O-CB 3.32Å; G200-A204 PolarHBondContact O-N 3.47Å; I201-A204 PolarHBondContact O-N 3.05Å; T202-A204 PolarHBondContact O-N 3.34Å; A204-G208 PolarHBondContact O-N 2.86Å
205N74.7Confident78.2Confident10 Ų1040 Ų405%0.05321%0.214CC..Hα-helixtrans-72.8-40.4178.9-70.9-21.1000112.5I201 T202 A203 W207 G208 L209 M530 M533I201-N205 WeakPolarHBondContact O-CB 3.3Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 2.84Å; I201-N205 PolarHBondContact O-ND2 3.05Å; T202-N205 PolarHBondContact O-N 3.39Å; A203-N205 VanDerWaalsContact C-N 3.31Å; A203-N205 PolarHBondContact O-N 2.91Å; N205-W207 VanDerWaalsContact C-N 3.35Å; N205-W207 PolarHBondContact O-N 2.79Å; N205-G208 PolarHBondContact O-N 3.17Å; N205-L209 WeakPolarHBondContact O-CB 3.3Å; N205-L209 PolarHBondContact O-N 3.39Å; N205-M530 HydrophobicContact CB-CE 4.29Å; N205-M530 VanDerWaalsContact CG-CE 3.48Å; N205-M530 WeakPolarHBondContact ND2-CE 3.47Å; N205-M530 WeakPolarHBondContact OD1-CE 3.3Å; N205-M533 HydrophobicContact CB-CE 3.73Å
206T74.9Confident79Confident44 Ų4436.1 Ų36.127%0.2720%0.196SC..Hα-helixtrans-64.4-37.6178.853.70000112.1T202 A203 L209 F210 I539T202-T206 HydrophobicContact CG2-CG2 4.21Å; T202-T206 VanDerWaalsContact O-CG2 3.32Å; T202-T206 WeakPolarHBondContact O-CG2 3.47Å; T202-T206 PolarHBondContact O-N 2.87Å; T202-T206 PolarHBondContact O-OG1 3.34Å; A203-T206 WeakPolarHBondContact CA-OG1 3.46Å; A203-T206 PolarHBondContact O-OG1 2.91Å; T206-L209 PolarHBondContact O-N 2.86Å; T206-F210 PolarHBondContact O-N 2.84Å; T206-I539 HydrophobicContact CG2-CG2 4.13Å
207W77.9Confident79.7Confident121 Ų12133.9 Ų33.946%0.45818%0.184SC..Hα-helixtrans-62.5-46.3172.4174.9-112.7000112.3A203 N205 L209 F210 L211A203-W207 PolarHBondContact O-N 2.88Å; N205-W207 VanDerWaalsContact C-N 3.35Å; N205-W207 PolarHBondContact O-N 2.79Å; W207-L209 VanDerWaalsContact C-N 3.26Å; W207-L209 PolarHBondContact O-N 3.25Å; W207-F210 HydrophobicContact CE3-CD1 4.29Å; W207-F210 HydrophobicContact CZ3-CD1 4.03Å; W207-F210 HydrophobicContact CZ3-CE1 4.33Å; W207-F210 PolarHBondContact O-N 3.42Å; W207-L211 HydrophobicContact CH2-CD2 4.45Å; W207-L211 HydrophobicContact CZ2-CD1 4.08Å; W207-L211 HydrophobicContact CZ2-CD2 4.15Å; W207-L211 HydrophobicContact CZ2-CG 4.24Å; W207-L211 WeakPolarHBondContact O-CG 3.25Å; W207-L211 PolarHBondContact O-N 3.24Å; W207-L211 VanDerWaalsContact O-N 3.09Å
208G81.5Confident80.4Confident0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-61.7-36.4175.600000112.5A204 N205 L211 L212A204-G208 PolarHBondContact O-N 2.86Å; N205-G208 PolarHBondContact O-N 3.17Å; G208-L211 PolarHBondContact O-N 2.77Å; G208-L212 WeakPolarHBondContact O-CB 3.46Å; G208-L212 PolarHBondContact O-N 3.05Å
209L80Confident81.3Confident8 Ų832 Ų324%0.04217%0.172CC..Hα-helixtrans-71.9-39.3-179.9-166.757.4000112.3N205 T206 W207 L212 V213 P501 M533 F543 Y547N205-L209 WeakPolarHBondContact O-CB 3.3Å; N205-L209 PolarHBondContact O-N 3.39Å; T206-L209 PolarHBondContact O-N 2.86Å; W207-L209 VanDerWaalsContact C-N 3.26Å; W207-L209 PolarHBondContact O-N 3.25Å; L209-L212 HydrophobicContact CD1-CD2 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.15Å; L209-L212 PolarHBondContact O-N 3.17Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.49Å; L209-P501 HydrophobicContact CB-CB 3.96Å; L209-P501 HydrophobicContact CD1-CB 3.65Å; L209-P501 HydrophobicContact CG-CB 4.4Å; L209-M533 HydrophobicContact CD2-CE 4.28Å; L209-M533 HydrophobicContact CD2-SD 4.41Å; L209-F543 HydrophobicContact CD1-CE1 4.46Å; L209-F543 HydrophobicContact CD1-CE2 4.35Å; L209-F543 HydrophobicContact CD1-CZ 3.67Å; L209-F543 HydrophobicContact CD2-CD1 4.31Å; L209-F543 HydrophobicContact CD2-CD2 3.96Å; L209-F543 HydrophobicContact CD2-CE1 3.6Å; L209-F543 HydrophobicContact CD2-CE2 3.16Å; L209-F543 HydrophobicContact CD2-CG 4.47Å; L209-F543 HydrophobicContact CD2-CZ 2.96Å; L209-F543 HydrophobicContact CG-CE1 4.22Å; L209-F543 HydrophobicContact CG-CE2 3.42Å; L209-F543 VanDerWaalsContact CG-CE2 3.42Å; L209-F543 HydrophobicContact CG-CZ 3.21Å; L209-Y547 HydrophobicContact CD1-CE2 3.74Å; L209-Y547 HydrophobicContact CG-CE2 4.04Å
210F82.4Confident82.2Confident94 Ų9430 Ų3041%0.41216%0.162SC..Hα-helixtrans-59.3-47.6169.5172.8-103.4000111.6T206 W207 L212 V213 L214T206-F210 PolarHBondContact O-N 2.84Å; W207-F210 HydrophobicContact CE3-CD1 4.29Å; W207-F210 HydrophobicContact CZ3-CD1 4.03Å; W207-F210 HydrophobicContact CZ3-CE1 4.33Å; W207-F210 PolarHBondContact O-N 3.42Å; F210-L212 VanDerWaalsContact C-N 3.29Å; F210-L212 PolarHBondContact O-N 3.21Å; F210-V213 PolarHBondContact O-N 3.09Å; F210-L214 HydrophobicContact CD1-CD1 4.12Å; F210-L214 HydrophobicContact CE1-CD1 3.48Å; F210-L214 VanDerWaalsContact CE1-CD1 3.48Å; F210-L214 HydrophobicContact CE1-CG 4.37Å; F210-L214 HydrophobicContact CE2-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD1 3.64Å; F210-L214 HydrophobicContact CZ-CD2 4.48Å; F210-L214 HydrophobicContact CZ-CG 4.23Å; F210-L214 PolarHBondContact O-N 2.92Å
211L84.8Confident83.1Confident29 Ų2929.6 Ų29.615%0.15215%0.153CC..Hα-helixtrans-61.2-39174.9-69.4176.9000111.6W207 G208 V213 L214 L215 L494 L498W207-L211 HydrophobicContact CH2-CD2 4.45Å; W207-L211 HydrophobicContact CZ2-CD1 4.08Å; W207-L211 HydrophobicContact CZ2-CD2 4.15Å; W207-L211 HydrophobicContact CZ2-CG 4.24Å; W207-L211 WeakPolarHBondContact O-CG 3.25Å; W207-L211 PolarHBondContact O-N 3.24Å; W207-L211 VanDerWaalsContact O-N 3.09Å; G208-L211 PolarHBondContact O-N 2.77Å; L211-V213 PolarHBondContact O-N 3.41Å; L211-L214 PolarHBondContact O-N 2.77Å; L211-L215 WeakPolarHBondContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.39Å; L211-L215 PolarHBondContact O-N 3.33Å; L211-L494 HydrophobicContact CD1-CD1 4.1Å; L211-L498 HydrophobicContact CB-CD2 3.82Å
212L87.5Confident83.8Confident0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-58.9-46.1175.5178.868.1000111.3G208 L209 F210 L214 L215 L216 V462 L498 P501 L502 N505G208-L212 WeakPolarHBondContact O-CB 3.46Å; G208-L212 PolarHBondContact O-N 3.05Å; L209-L212 HydrophobicContact CD1-CD2 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.15Å; L209-L212 PolarHBondContact O-N 3.17Å; F210-L212 VanDerWaalsContact C-N 3.29Å; F210-L212 PolarHBondContact O-N 3.21Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 2.87Å; L212-L215 PolarHBondContact O-N 3.39Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 PolarHBondContact O-N 3.5Å; L212-V462 HydrophobicContact CD1-CG1 4.32Å; L212-V462 HydrophobicContact CD1-CG2 3.54Å; L212-L498 HydrophobicContact CB-CD2 4.32Å; L212-P501 HydrophobicContact CB-CB 4.46Å; L212-P501 HydrophobicContact CD2-CB 4.02Å; L212-P501 WeakPolarHBondContact CD2-O 3.31Å; L212-L502 HydrophobicContact CD1-CB 4.13Å; L212-L502 HydrophobicContact CD1-CD1 4.03Å; L212-L502 HydrophobicContact CD2-CB 4.45Å; L212-N505 HydrophobicContact CD2-CB 3.75Å
213V86.6Confident84.7Confident5 Ų528 Ų283%0.0314%0.143CC..Hα-helixtrans-57.7-47.5177.81780000111.6L209 F210 L211 G217 Y547 L550 I551 L554L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.49Å; F210-V213 PolarHBondContact O-N 3.09Å; L211-V213 PolarHBondContact O-N 3.41Å; V213-G217 PolarHBondContact O-N 2.94Å; V213-Y547 HydrophobicContact CB-CE2 4.37Å; V213-Y547 HydrophobicContact CG2-CD2 3.14Å; V213-Y547 HydrophobicContact CG2-CE2 2.97Å; V213-Y547 HydrophobicContact CG2-CG 4.2Å; V213-L550 HydrophobicContact CB-CD2 4.33Å; V213-L550 HydrophobicContact CG1-CB 4.13Å; V213-L550 HydrophobicContact CG1-CD2 3.22Å; V213-L550 HydrophobicContact CG1-CG 4.19Å; V213-I551 HydrophobicContact CB-CG1 4.49Å; V213-I551 HydrophobicContact CG1-CG1 3.73Å; V213-I551 HydrophobicContact CG2-CG1 4.42Å; V213-L554 HydrophobicContact CG1-CD1 3.68Å
214L86.3Confident85.6Confident66 Ų6625.9 Ų25.935%0.34613%0.125SC..Hα-helixtrans-60.5-48.3179.9-67.2176.9000111.6F210 L211 L212 Y218 L554F210-L214 HydrophobicContact CD1-CD1 4.12Å; F210-L214 HydrophobicContact CE1-CD1 3.48Å; F210-L214 VanDerWaalsContact CE1-CD1 3.48Å; F210-L214 HydrophobicContact CE1-CG 4.37Å; F210-L214 HydrophobicContact CE2-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD1 3.64Å; F210-L214 HydrophobicContact CZ-CD2 4.48Å; F210-L214 HydrophobicContact CZ-CG 4.23Å; F210-L214 PolarHBondContact O-N 2.92Å; L211-L214 PolarHBondContact O-N 2.77Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 2.87Å; L214-Y218 PolarHBondContact O-N 2.96Å; L214-L554 HydrophobicContact CD2-CD1 3.88Å; L214-L554 HydrophobicContact CD2-CD2 4.25Å
215L89.1Confident86.4Confident13 Ų1327.9 Ų27.97%0.06813%0.128CC..Hα-helixtrans-71.7-41.2-176.4-65.2172.2000112.3L211 L212 G219 V462 T465 V466 I469 L498L211-L215 WeakPolarHBondContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.39Å; L211-L215 PolarHBondContact O-N 3.33Å; L212-L215 PolarHBondContact O-N 3.39Å; L215-G219 PolarHBondContact O-N 3.15Å; L215-V462 HydrophobicContact CB-CG1 4.29Å; L215-V462 HydrophobicContact CD1-CG1 4.23Å; L215-T465 HydrophobicContact CB-CG2 4.48Å; L215-T465 HydrophobicContact CD2-CG2 3.82Å; L215-V466 HydrophobicContact CD1-CG2 3.76Å; L215-V466 HydrophobicContact CD2-CG2 4.28Å; L215-I469 HydrophobicContact CD2-CD1 3.17Å; L215-L498 HydrophobicContact CD1-CD1 3.32Å; L215-L498 HydrophobicContact CD1-CD2 3.87Å; L215-L498 HydrophobicContact CD1-CG 4.24Å
216L89.9Confident87Confident0 Ų028.6 Ų28.60%013%0.133CC..Hα-helixtrans-68.7-46.8178.7-174.563.4000110.5L212 Y218 G219 L220 L458 C461 V462 I551L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 PolarHBondContact O-N 3.5Å; L216-Y218 VanDerWaalsContact C-N 3.3Å; L216-Y218 PolarHBondContact O-N 3Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.15Å; L216-L220 HydrophobicContact CD1-CD1 4.22Å; L216-L220 HydrophobicContact CD1-CD2 4.39Å; L216-L220 HydrophobicContact CD1-CG 4.07Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 HydrophobicContact CG-CG 4.22Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.26Å; L216-L458 HydrophobicContact CD1-CD2 3.89Å; L216-L458 HydrophobicContact CD2-CD2 4.49Å; L216-C461 HydrophobicContact CD1-CB 3.92Å; L216-V462 HydrophobicContact CB-CG2 4.22Å; L216-V462 HydrophobicContact CD1-CG2 4.12Å; L216-I551 HydrophobicContact CD2-CD1 4.3Å
217G89.1Confident87.8Confident0 Ų030.6 Ų30.60%014%0.137CC..Hα-helixtrans-58.6-38.9177.600000113.1V213V213-G217 PolarHBondContact O-N 2.94Å
218Y89.3Confident88.6Confident65 Ų6529 Ų2926%0.25513%0.131SC..Hα-helixtrans-70.5-48.1171.5179.4-85.7000112.5L214 L216 L220 V221 E222 T465 T558L214-Y218 PolarHBondContact O-N 2.96Å; L216-Y218 VanDerWaalsContact C-N 3.3Å; L216-Y218 PolarHBondContact O-N 3Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.4Å; Y218-V221 PolarHBondContact O-N 2.69Å; Y218-E222 HydrophobicContact CD1-CB 3.97Å; Y218-E222 HydrophobicContact CE1-CB 3.62Å; Y218-E222 HydrophobicContact CE1-CG 3.73Å; Y218-E222 HydrophobicContact CE2-CB 4.39Å; Y218-E222 HydrophobicContact CE2-CG 4.48Å; Y218-E222 WeakPolarHBondContact O-CB 3.26Å; Y218-E222 PolarHBondContact O-N 3.07Å; Y218-T465 HydrophobicContact CD1-CG2 3.28Å; Y218-T465 HydrophobicContact CE1-CG2 3.87Å; Y218-T465 HydrophobicContact CG-CG2 4.09Å; Y218-T558 HydrophobicContact CD2-CG2 3.97Å
219G90.4Very high89Confident0 Ų030.7 Ų30.70%014%0.14CC..Hα-helixtrans-63.4-34.2-175.200000113.9L215 L216 V221 I223 T465L215-G219 PolarHBondContact O-N 3.15Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.15Å; G219-V221 PolarHBondContact O-N 3.21Å; G219-I223 WeakPolarHBondContact O-CB 3.21Å; G219-I223 WeakPolarHBondContact O-CG1 3.42Å; G219-I223 PolarHBondContact O-N 3.45Å; G219-T465 VanDerWaalsContact CA-OG1 3.26Å; G219-T465 WeakPolarHBondContact CA-OG1 3.48Å
220L92.6Very high89.4Confident4 Ų431.5 Ų31.52%0.02115%0.148CC..Hα-helixtrans-63.2-29.3177.8-73.6168.9000112.8L216 Y218 P224 S411 V414 V415 F457 I551L216-L220 HydrophobicContact CD1-CD1 4.22Å; L216-L220 HydrophobicContact CD1-CD2 4.39Å; L216-L220 HydrophobicContact CD1-CG 4.07Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 HydrophobicContact CG-CG 4.22Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.26Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.4Å; L220-P224 WeakPolarHBondContact O-CD 3.18Å; L220-P224 WeakPolarHBondContact O-CG 3.44Å; L220-S411 VanDerWaalsContact O-CB 3.27Å; L220-S411 WeakPolarHBondContact O-CB 3.38Å; L220-S411 PolarHBondContact O-OG 3.37Å; L220-V414 HydrophobicContact CD1-CG1 4.2Å; L220-V414 HydrophobicContact CD2-CB 4.05Å; L220-V414 HydrophobicContact CD2-CG1 3.93Å; L220-V415 HydrophobicContact CD1-CG2 3.87Å; L220-F457 HydrophobicContact CD2-CE1 3.63Å; L220-F457 HydrophobicContact CD2-CZ 4.08Å; L220-I551 HydrophobicContact CD1-CG2 4.27Å
221V92.4Very high89.7Confident24 Ų2427 Ų2715%0.14513%0.128CC..Hα-helixtrans-99.5-45.1-178.9179.80000111.8Y218 G219 P224 R225 C555 Y559Y218-V221 PolarHBondContact O-N 2.69Å; G219-V221 PolarHBondContact O-N 3.21Å; V221-P224 WeakPolarHBondContact O-CD 3.48Å; V221-R225 VanDerWaalsContact O-CB 3.26Å; V221-R225 WeakPolarHBondContact O-CB 3.48Å; V221-R225 PolarHBondContact O-N 2.86Å; V221-C555 HydrophobicContact CG2-CB 3.93Å; V221-Y559 HydrophobicContact CG1-CD2 4.22Å
222E88.8Confident89.8Confident28 Ų2831.3 Ų31.313%0.13114%0.142CC..Hα-helixtrans-74.9-31-171.7-171.357.5-147.200112.8Y218 R225 S226Y218-E222 HydrophobicContact CD1-CB 3.97Å; Y218-E222 HydrophobicContact CE1-CB 3.62Å; Y218-E222 HydrophobicContact CE1-CG 3.73Å; Y218-E222 HydrophobicContact CE2-CB 4.39Å; Y218-E222 HydrophobicContact CE2-CG 4.48Å; Y218-E222 WeakPolarHBondContact O-CB 3.26Å; Y218-E222 PolarHBondContact O-N 3.07Å; E222-R225 WeakPolarHBondContact OE2-CD 3.38Å; E222-R225 IonicContact OE2-NH1 3.26Å; E222-S226 WeakPolarHBondContact O-CB 3.4Å; E222-S226 PolarHBondContact O-N 3.38Å
223I91.5Very high89.7Confident4 Ų432.4 Ų32.42%0.02115%0.147CC..Hα-helixtrans-65.7-55.7179.2-65.4-175000111.7G219 R225 S226 Y227 L407 T460 C461 S464G219-I223 WeakPolarHBondContact O-CB 3.21Å; G219-I223 WeakPolarHBondContact O-CG1 3.42Å; G219-I223 PolarHBondContact O-N 3.45Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.43Å; I223-S226 WeakPolarHBondContact O-CB 3.45Å; I223-S226 PolarHBondContact O-N 2.93Å; I223-Y227 HydrophobicContact CG2-CD2 3.98Å; I223-Y227 HydrophobicContact CG2-CE2 3.89Å; I223-Y227 WeakPolarHBondContact O-CD2 3.35Å; I223-Y227 PolarHBondContact O-N 2.79Å; I223-L407 HydrophobicContact CG2-CD1 4.08Å; I223-T460 HydrophobicContact CD1-CG2 4.3Å; I223-T460 WeakPolarHBondContact CD1-O 3.25Å; I223-C461 VanDerWaalsContact CD1-CA 3.49Å; I223-C461 HydrophobicContact CD1-CB 4.44Å; I223-S464 WeakPolarHBondContact CD1-OG 3.31Å; I223-S464 WeakPolarHBondContact CG1-OG 3.23Å
224P93.8Very high89.7Confident4 Ų434.5 Ų34.53%0.02617%0.17CC..Hα-helixtrans-59.6-40.6178-1928.7000112.3L220 V221 S226 Y227 W228 S404 L407 T408 S411L220-P224 WeakPolarHBondContact O-CD 3.18Å; L220-P224 WeakPolarHBondContact O-CG 3.44Å; V221-P224 WeakPolarHBondContact O-CD 3.48Å; P224-S226 PolarHBondContact O-N 3.33Å; P224-Y227 PolarHBondContact O-N 3.08Å; P224-W228 PolarHBondContact O-N 3.16Å; P224-S404 PolarHBondContact O-OG 3.02Å; P224-L407 HydrophobicContact CB-CB 4.14Å; P224-L407 HydrophobicContact CG-CB 3.99Å; P224-T408 VanDerWaalsContact CB-OG1 3.24Å; P224-T408 WeakPolarHBondContact CB-OG1 3.07Å; P224-S411 WeakPolarHBondContact CG-OG 3.45Å
225R90.4Very high89.7Confident66 Ų6634.4 Ų34.425%0.24917%0.168CC..Hα-helixtrans-60.2-43.5175.5176.9-175.6-70.3175.8-10.4112.2V221 E222 I223 Y227 W228 N229 T558 Y559V221-R225 VanDerWaalsContact O-CB 3.26Å; V221-R225 WeakPolarHBondContact O-CB 3.48Å; V221-R225 PolarHBondContact O-N 2.86Å; E222-R225 WeakPolarHBondContact OE2-CD 3.38Å; E222-R225 IonicContact OE2-NH1 3.26Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.43Å; R225-Y227 VanDerWaalsContact C-N 3.33Å; R225-Y227 PolarHBondContact O-N 2.85Å; R225-W228 WeakPolarHBondContact O-CB 3.38Å; R225-W228 PolarHBondContact O-N 3.12Å; R225-N229 WeakPolarHBondContact O-CB 3.47Å; R225-N229 PolarHBondContact O-N 3.21Å; R225-T558 PolarHBondContact NH1-O 3.02Å; R225-Y559 VanDerWaalsContact NH2-CA 3.3Å; R225-Y559 PolarHBondContact NH2-O 3.23Å
226S88.4Confident89.7Confident25 Ų2535.5 Ų35.518%0.17517%0.173CC..Hα-helixtrans-60.5-42.7178.9178.80000111.6E222 I223 P224 A230 R468E222-S226 WeakPolarHBondContact O-CB 3.4Å; E222-S226 PolarHBondContact O-N 3.38Å; I223-S226 WeakPolarHBondContact O-CB 3.45Å; I223-S226 PolarHBondContact O-N 2.93Å; P224-S226 PolarHBondContact O-N 3.33Å; S226-A230 WeakPolarHBondContact O-CB 3.4Å; S226-A230 PolarHBondContact O-N 3.28Å; S226-R468 PolarHBondContact OG-NH1 3.07Å; S226-R468 PolarHBondContact OG-NH2 3.03Å
227Y91.8Very high89.7Confident86 Ų8636.6 Ų36.634%0.33718%0.179SC..Hα-helixtrans-69.6-37.9175.9-79.4-71.8000112.2I223 P224 R225 N229 A230 S231 Y400 V403 L407I223-Y227 HydrophobicContact CG2-CD2 3.98Å; I223-Y227 HydrophobicContact CG2-CE2 3.89Å; I223-Y227 WeakPolarHBondContact O-CD2 3.35Å; I223-Y227 PolarHBondContact O-N 2.79Å; P224-Y227 PolarHBondContact O-N 3.08Å; R225-Y227 VanDerWaalsContact C-N 3.33Å; R225-Y227 PolarHBondContact O-N 2.85Å; Y227-N229 PolarHBondContact O-N 3.46Å; Y227-A230 PolarHBondContact O-N 2.97Å; Y227-S231 PolarHBondContact O-N 3.07Å; Y227-Y400 AromaticContact CD1-CD1 3.56Å; Y227-Y400 HydrophobicContact CD1-CD1 3.56Å; Y227-Y400 AromaticContact CD1-CE1 3.89Å; Y227-Y400 HydrophobicContact CD1-CE1 3.89Å; Y227-Y400 HydrophobicContact CE1-CD1 4.04Å; Y227-Y400 AromaticContact CE1-CE1 3.93Å; Y227-Y400 HydrophobicContact CE1-CE1 3.93Å; Y227-V403 HydrophobicContact CD1-CG1 4.36Å; Y227-V403 HydrophobicContact CG-CG1 4.32Å; Y227-L407 HydrophobicContact CD2-CD1 3.58Å; Y227-L407 HydrophobicContact CE2-CD1 3.83Å; Y227-L407 HydrophobicContact CG-CD1 4.4Å
228W93.4Very high89.7Confident88 Ų8840.2 Ų40.233%0.33320%0.197SC..Hα-helixtrans-60-47.5173.8-170.5-103.4000111.7P224 R225 A230 S231 R401 S404 V405P224-W228 PolarHBondContact O-N 3.16Å; R225-W228 WeakPolarHBondContact O-CB 3.38Å; R225-W228 PolarHBondContact O-N 3.12Å; W228-A230 VanDerWaalsContact C-N 3.34Å; W228-S231 WeakPolarHBondContact O-CB 2.85Å; W228-S231 PolarHBondContact O-N 3.18Å; W228-S231 VanDerWaalsContact O-N 3.16Å; W228-S231 PolarHBondContact O-OG 3.43Å; W228-R401 HydrophobicContact CE3-CG 4.4Å; W228-R401 HydrophobicContact CZ3-CB 4.35Å; W228-R401 HydrophobicContact CZ3-CG 4.18Å; W228-S404 WeakPolarHBondContact CB-OG 3.38Å; W228-S404 PolarHBondContact N-OG 2.95Å; W228-V405 HydrophobicContact CZ3-CG2 4.1Å
229N89.9Confident89.7Confident36 Ų3638.6 Ų38.619%0.19319%0.191CC..Hα-helixtrans-68.8-33.5179.9-72.2-16.8000111.9R225 Y227 S231 R232R225-N229 WeakPolarHBondContact O-CB 3.47Å; R225-N229 PolarHBondContact O-N 3.21Å; Y227-N229 PolarHBondContact O-N 3.46Å; N229-S231 PolarHBondContact O-N 2.94Å; N229-R232 PolarHBondContact O-N 3.36Å; N229-R232 VanDerWaalsContact O-N 3.12Å
230A88.5Confident89.7Confident25 Ų2538.7 Ų38.721%0.20719%0.192CC..Hα-helixtrans-63.1-25.9172.500000113S226 Y227 W228 R232S226-A230 WeakPolarHBondContact O-CB 3.4Å; S226-A230 PolarHBondContact O-N 3.28Å; Y227-A230 PolarHBondContact O-N 2.97Å; W228-A230 VanDerWaalsContact C-N 3.34Å; A230-R232 VanDerWaalsContact C-N 3.25Å; A230-R232 PolarHBondContact O-N 2.96Å
231S88.6Confident89.6Confident0 Ų039 Ų390%019%0.193CC..THydrogen-bonded Turntrans-73-13.5174.781.20000114.3Y227 W228 N229 R397 R401Y227-S231 PolarHBondContact O-N 3.07Å; W228-S231 WeakPolarHBondContact O-CB 2.85Å; W228-S231 PolarHBondContact O-N 3.18Å; W228-S231 VanDerWaalsContact O-N 3.16Å; W228-S231 PolarHBondContact O-OG 3.43Å; N229-S231 PolarHBondContact O-N 2.94Å; S231-R397 WeakPolarHBondContact O-CG 3.44Å; S231-R401 WeakPolarHBondContact OG-CG 3.41Å
232R88.8Confident89.5Confident118 Ų11838 Ų3845%0.44519%0.186SC..  trans-100.291.1-177.2-64.6178.6178.7-169.9-5.8109.4N229 A230 G234 H235 L236N229-R232 PolarHBondContact O-N 3.36Å; N229-R232 VanDerWaalsContact O-N 3.12Å; A230-R232 VanDerWaalsContact C-N 3.25Å; A230-R232 PolarHBondContact O-N 2.96Å; R232-G234 VanDerWaalsContact C-N 3.34Å; R232-G234 PolarHBondContact O-N 3.33Å; R232-H235 HydrophobicContact CB-CB 3.92Å; R232-H235 PolarHBondContact O-N 3.32Å; R232-H235 VanDerWaalsContact O-N 3.12Å; R232-L236 WeakPolarHBondContact O-CB 3.44Å; R232-L236 PolarHBondContact O-N 3.49Å
233H84.4Confident89.5Confident23 Ų2340.4 Ų40.411%0.10620%0.197CC..Hα-helixtrans-52.4-46.1-176.4-62.3-67.5000113.5H235 L236 L237H233-H235 PolarHBondContact O-N 2.86Å; H233-L236 PolarHBondContact O-N 3.18Å; H233-L237 WeakPolarHBondContact O-CB 3.1Å; H233-L237 PolarHBondContact O-N 3.45Å
234G85.8Confident89.5Confident50 Ų5040.3 Ų40.352%0.51520%0.196SC..Hα-helixtrans-61.6-44.1177.800000113.7R232 L237 M238R232-G234 VanDerWaalsContact C-N 3.34Å; R232-G234 PolarHBondContact O-N 3.33Å; G234-L237 PolarHBondContact O-N 3.39Å; G234-M238 WeakPolarHBondContact O-CG 3.35Å; G234-M238 PolarHBondContact O-N 3.48Å; G234-M238 VanDerWaalsContact O-N 3.1Å
235H87.1Confident89.4Confident63 Ų6340.1 Ų40.129%0.29220%0.195SC..Hα-helixtrans-66.3-41176176.475.6000111.5R232 H233 L237 M238 K239R232-H235 HydrophobicContact CB-CB 3.92Å; R232-H235 PolarHBondContact O-N 3.32Å; R232-H235 VanDerWaalsContact O-N 3.12Å; H233-H235 PolarHBondContact O-N 2.86Å; H235-L237 VanDerWaalsContact C-N 3.33Å; H235-L237 PolarHBondContact O-N 3.27Å; H235-M238 PolarHBondContact O-N 2.87Å; H235-K239 VanDerWaalsContact O-CB 3.22Å; H235-K239 WeakPolarHBondContact O-CB 3.19Å; H235-K239 PolarHBondContact O-N 3.1Å
236L88.1Confident89.3Confident36 Ų3639.9 Ų39.919%0.18820%0.196CC..Hα-helixtrans-62.6-39.8177.5-176.762.7000111.8R232 H233 T240 L351R232-L236 WeakPolarHBondContact O-CB 3.44Å; R232-L236 PolarHBondContact O-N 3.49Å; H233-L236 PolarHBondContact O-N 3.18Å; L236-T240 WeakPolarHBondContact O-CB 3.35Å; L236-T240 PolarHBondContact O-N 3.43Å; L236-T240 PolarHBondContact O-OG1 3.03Å; L236-L351 HydrophobicContact CD2-CD1 4.12Å; L236-L351 HydrophobicContact CD2-CD2 3.69Å; L236-L351 HydrophobicContact CG-CD1 3.83Å; L236-L351 HydrophobicContact CG-CD2 4.22Å
237L90.8Very high89.3Confident23 Ų2339.5 Ų39.512%0.1219%0.192CC..Hα-helixtrans-63.9-50.3175.5-178.565.7000111.1H233 G234 H235 K239 T240 Y241 L351 E352H233-L237 WeakPolarHBondContact O-CB 3.1Å; H233-L237 PolarHBondContact O-N 3.45Å; G234-L237 PolarHBondContact O-N 3.39Å; H235-L237 VanDerWaalsContact C-N 3.33Å; H235-L237 PolarHBondContact O-N 3.27Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.39Å; L237-T240 WeakPolarHBondContact O-CA 3.45Å; L237-T240 WeakPolarHBondContact O-CB 3.35Å; L237-T240 PolarHBondContact O-N 2.93Å; L237-Y241 HydrophobicContact CD1-CE1 4.38Å; L237-Y241 HydrophobicContact CD1-CE2 3.95Å; L237-Y241 HydrophobicContact CD2-CE2 4Å; L237-Y241 HydrophobicContact CG-CD2 4.25Å; L237-Y241 HydrophobicContact CG-CE2 3.58Å; L237-Y241 PolarHBondContact O-N 3.28Å; L237-L351 HydrophobicContact CD1-CB 3.75Å; L237-E352 HydrophobicContact CD1-CG 4Å
238M89.3Confident89.3Confident76 Ų7637.8 Ų37.837%0.37419%0.188SC..Hα-helixtrans-61.6-41.8178.4-63.3-61.1-179.700112.4G234 H235 T240 Y241 F242 M581 I586G234-M238 WeakPolarHBondContact O-CG 3.35Å; G234-M238 PolarHBondContact O-N 3.48Å; G234-M238 VanDerWaalsContact O-N 3.1Å; H235-M238 PolarHBondContact O-N 2.87Å; M238-T240 PolarHBondContact O-N 3.37Å; M238-Y241 WeakPolarHBondContact O-CB 3.36Å; M238-Y241 PolarHBondContact O-N 2.69Å; M238-Y241 HydrophobicContact SD-CD2 4.03Å; M238-Y241 HydrophobicContact SD-CE2 4.44Å; M238-F242 PolarHBondContact O-N 3.4Å; M238-M581 HydrophobicContact CB-CE 3.31Å; M238-M581 HydrophobicContact CB-SD 3.85Å; M238-M581 HydrophobicContact CG-CE 4.25Å; M238-M581 VanDerWaalsContact O-SD 3.36Å; M238-I586 HydrophobicContact SD-CG2 3.68Å
239K88.4Confident89.1Confident31 Ų3136.8 Ų36.814%0.13519%0.191CC..Hα-helixtrans-59.2-35.8172.7176.8172.3176.6150.20112.2H235 L237 K243 D578H235-K239 VanDerWaalsContact O-CB 3.22Å; H235-K239 WeakPolarHBondContact O-CB 3.19Å; H235-K239 PolarHBondContact O-N 3.1Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.39Å; K239-K243 VanDerWaalsContact CE-NZ 3.29Å; K239-K243 HydrophobicContact CG-CD 4.5Å; K239-K243 WeakPolarHBondContact O-CB 3.42Å; K239-K243 WeakPolarHBondContact O-CG 3.38Å; K239-K243 PolarHBondContact O-N 2.89Å; K239-D578 HydrophobicContact CD-CB 4.47Å; K239-D578 WeakPolarHBondContact CE-OD2 3.36Å; K239-D578 VanDerWaalsContact NZ-CG 3.35Å; K239-D578 IonicContact NZ-OD2 3.62Å; K239-D578 PolarHBondContact NZ-OD2 3.41Å
240T90.2Very high89Confident3 Ų336.9 Ų36.92%0.01819%0.19CC..Hα-helixtrans-69.4-41.4176.7-55.70000111L236 L237 M238 K243 A244 L344 A348 L351L236-T240 WeakPolarHBondContact O-CB 3.35Å; L236-T240 PolarHBondContact O-N 3.43Å; L236-T240 PolarHBondContact O-OG1 3.03Å; L237-T240 WeakPolarHBondContact O-CA 3.45Å; L237-T240 WeakPolarHBondContact O-CB 3.35Å; L237-T240 PolarHBondContact O-N 2.93Å; M238-T240 PolarHBondContact O-N 3.37Å; T240-K243 PolarHBondContact O-N 2.99Å; T240-A244 WeakPolarHBondContact O-CB 3.18Å; T240-A244 PolarHBondContact O-N 2.97Å; T240-L344 HydrophobicContact CG2-CD1 3.79Å; T240-L344 HydrophobicContact CG2-CG 4.31Å; T240-A348 HydrophobicContact CG2-CB 3.73Å; T240-L351 WeakPolarHBondContact OG1-CD1 3.37Å
241Y92.1Very high89.2Confident10 Ų1037.5 Ų37.54%0.03919%0.189CC..Hα-helixtrans-60.4-47.2172.9-66.3-45.8000112.1L237 M238 K243 A244 S245 E352 I586 G589 K590 I593L237-Y241 HydrophobicContact CD1-CE1 4.38Å; L237-Y241 HydrophobicContact CD1-CE2 3.95Å; L237-Y241 HydrophobicContact CD2-CE2 4Å; L237-Y241 HydrophobicContact CG-CD2 4.25Å; L237-Y241 HydrophobicContact CG-CE2 3.58Å; L237-Y241 PolarHBondContact O-N 3.28Å; M238-Y241 WeakPolarHBondContact O-CB 3.36Å; M238-Y241 PolarHBondContact O-N 2.69Å; M238-Y241 HydrophobicContact SD-CD2 4.03Å; M238-Y241 HydrophobicContact SD-CE2 4.44Å; Y241-K243 VanDerWaalsContact C-N 3.35Å; Y241-K243 PolarHBondContact O-N 3.01Å; Y241-A244 WeakPolarHBondContact O-CA 3.42Å; Y241-A244 VanDerWaalsContact O-CB 3.29Å; Y241-A244 WeakPolarHBondContact O-CB 3.39Å; Y241-A244 PolarHBondContact O-N 2.97Å; Y241-S245 PolarHBondContact O-N 3.32Å; Y241-S245 VanDerWaalsContact O-N 3.11Å; Y241-E352 WeakPolarHBondContact OH-CG 3.34Å; Y241-E352 PolarHBondContact OH-OE1 3.25Å; Y241-I586 HydrophobicContact CD2-CG2 4.24Å; Y241-G589 WeakPolarHBondContact O-CA 3.49Å; Y241-K590 HydrophobicContact CD1-CB 4.07Å; Y241-K590 HydrophobicContact CD1-CG 4.49Å; Y241-K590 HydrophobicContact CD2-CB 4.31Å; Y241-K590 HydrophobicContact CD2-CG 4.49Å; Y241-K590 HydrophobicContact CE1-CB 4.25Å; Y241-K590 HydrophobicContact CE1-CG 4.17Å; Y241-K590 HydrophobicContact CE2-CB 4.44Å; Y241-K590 HydrophobicContact CE2-CG 4.14Å; Y241-K590 HydrophobicContact CG-CB 4.15Å; Y241-I593 HydrophobicContact CD1-CD1 3.46Å; Y241-I593 VanDerWaalsContact CD1-CD1 3.46Å; Y241-I593 HydrophobicContact CE1-CB 4.31Å; Y241-I593 HydrophobicContact CE1-CD1 3.82Å; Y241-I593 HydrophobicContact CE1-CG2 4.33Å
242F89.8Confident89.4Confident2 Ų239.5 Ų39.51%0.00921%0.205CC..Hα-helixtrans-58.5-44.9176.1176.7-102.3000112.7M238 A244 S245 K246 M581 L585 I586M238-F242 PolarHBondContact O-N 3.4Å; F242-A244 PolarHBondContact O-N 3Å; F242-S245 PolarHBondContact O-N 3.26Å; F242-K246 HydrophobicContact CD1-CD 4.4Å; F242-K246 HydrophobicContact CE1-CD 3.85Å; F242-K246 VanDerWaalsContact CE1-CE 3.41Å; F242-K246 HydrophobicContact CZ-CD 4.09Å; F242-K246 PolarHBondContact O-N 3.36Å; F242-M581 HydrophobicContact CB-CG 3.61Å; F242-M581 HydrophobicContact CB-SD 3.88Å; F242-M581 HydrophobicContact CD1-CG 4.38Å; F242-M581 HydrophobicContact CD2-CG 3.65Å; F242-M581 HydrophobicContact CE2-CG 4.31Å; F242-M581 HydrophobicContact CG-CG 3.65Å; F242-M581 HydrophobicContact CG-SD 4.5Å; F242-L585 HydrophobicContact CD2-CB 3.75Å; F242-L585 HydrophobicContact CD2-CD1 4.12Å; F242-L585 HydrophobicContact CE2-CB 4.07Å; F242-L585 HydrophobicContact CE2-CD1 3.56Å; F242-L585 HydrophobicContact CE2-CG 4.48Å; F242-L585 HydrophobicContact CZ-CD1 4.46Å; F242-I586 HydrophobicContact CB-CG1 4.27Å
243K88.5Confident89.6Confident80 Ų8038.2 Ų38.235%0.34821%0.207SC..Hα-helixtrans-63.8-30.8174.6-74-176.2-174.6-163.80112.2K239 T240 Y241 L247 L344 D578K239-K243 VanDerWaalsContact CE-NZ 3.29Å; K239-K243 HydrophobicContact CG-CD 4.5Å; K239-K243 WeakPolarHBondContact O-CB 3.42Å; K239-K243 WeakPolarHBondContact O-CG 3.38Å; K239-K243 PolarHBondContact O-N 2.89Å; T240-K243 PolarHBondContact O-N 2.99Å; Y241-K243 VanDerWaalsContact C-N 3.35Å; Y241-K243 PolarHBondContact O-N 3.01Å; K243-L247 WeakPolarHBondContact O-CB 3.33Å; K243-L247 PolarHBondContact O-N 3.47Å; K243-L344 HydrophobicContact CB-CD1 4.3Å; K243-L344 HydrophobicContact CB-CD2 4.08Å; K243-D578 WeakPolarHBondContact CE-OD1 3.27Å; K243-D578 WeakPolarHBondContact CE-OD2 3.01Å; K243-D578 IonicContact NZ-OD1 2.95Å; K243-D578 PolarHBondContact NZ-OD1 2.91Å; K243-D578 IonicContact NZ-OD2 3.89Å; K243-D578 PolarHBondContact NZ-OD2 3.44Å
244A92.3Very high90Very high1 Ų137.2 Ų37.21%0.00820%0.203CC..Hα-helixtrans-66.7-46.5177.800000111.3T240 Y241 F242 K246 L247 M248 W341 L344 I593T240-A244 WeakPolarHBondContact O-CB 3.18Å; T240-A244 PolarHBondContact O-N 2.97Å; Y241-A244 WeakPolarHBondContact O-CA 3.42Å; Y241-A244 VanDerWaalsContact O-CB 3.29Å; Y241-A244 WeakPolarHBondContact O-CB 3.39Å; Y241-A244 PolarHBondContact O-N 2.97Å; F242-A244 PolarHBondContact O-N 3Å; A244-K246 PolarHBondContact O-N 3.4Å; A244-L247 PolarHBondContact O-N 3.11Å; A244-M248 VanDerWaalsContact O-CB 3.26Å; A244-M248 WeakPolarHBondContact O-CB 3.44Å; A244-M248 PolarHBondContact O-N 3.17Å; A244-W341 HydrophobicContact CB-CH2 4.44Å; A244-W341 HydrophobicContact CB-CZ3 4.07Å; A244-W341 WeakPolarHBondContact O-CZ3 3.26Å; A244-L344 HydrophobicContact CB-CD2 4.02Å; A244-I593 HydrophobicContact CB-CD1 3.63Å; A244-I593 HydrophobicContact CB-CG1 4.22Å
245S90.9Very high90.3Very high1 Ų137.8 Ų37.81%0.00719%0.192CC..Hα-helixtrans-56.8-52.7174.4162.70000111.2Y241 F242 L247 M248 T249 L585 E588Y241-S245 PolarHBondContact O-N 3.32Å; Y241-S245 VanDerWaalsContact O-N 3.11Å; F242-S245 PolarHBondContact O-N 3.26Å; S245-L247 PolarHBondContact O-N 3.02Å; S245-M248 WeakPolarHBondContact O-CB 3.44Å; S245-M248 PolarHBondContact O-N 3.28Å; S245-M248 VanDerWaalsContact O-N 3.1Å; S245-T249 PolarHBondContact O-N 3.47Å; S245-T249 VanDerWaalsContact O-N 3.11Å; S245-T249 PolarHBondContact O-OG1 2.93Å; S245-L585 WeakPolarHBondContact CB-O 3.4Å; S245-L585 WeakPolarHBondContact OG-CD2 3.33Å; S245-E588 PolarHBondContact OG-OE2 2.91Å
246K87.6Confident90.7Very high60 Ų6040.4 Ų40.426%0.26120%0.204SC..Hα-helixtrans-58.1-45.8179.1-69.1-171.5170.7-172.50114F242 A244 M248 T249 E250 M576F242-K246 HydrophobicContact CD1-CD 4.4Å; F242-K246 HydrophobicContact CE1-CD 3.85Å; F242-K246 VanDerWaalsContact CE1-CE 3.41Å; F242-K246 HydrophobicContact CZ-CD 4.09Å; F242-K246 PolarHBondContact O-N 3.36Å; A244-K246 PolarHBondContact O-N 3.4Å; K246-M248 VanDerWaalsContact C-N 3.28Å; K246-M248 PolarHBondContact O-N 3.29Å; K246-T249 PolarHBondContact O-N 2.93Å; K246-E250 PolarHBondContact O-N 3.4Å; K246-M576 PolarHBondContact NZ-O 3.36Å
247L89.1Confident91Very high17 Ų1742.3 Ų42.39%0.08922%0.215CC..Hα-helixtrans-69.1-29.9-179.6-177.361.6000111.7K243 A244 S245 K251 Q340 W341 L344K243-L247 WeakPolarHBondContact O-CB 3.33Å; K243-L247 PolarHBondContact O-N 3.47Å; A244-L247 PolarHBondContact O-N 3.11Å; S245-L247 PolarHBondContact O-N 3.02Å; L247-K251 WeakPolarHBondContact O-CB 3.44Å; L247-K251 PolarHBondContact O-N 3.02Å; L247-Q340 HydrophobicContact CD1-CB 4.13Å; L247-Q340 HydrophobicContact CD2-CB 3.85Å; L247-W341 HydrophobicContact CD2-CB 4.48Å; L247-W341 HydrophobicContact CD2-CE3 4.38Å; L247-W341 HydrophobicContact CG-CE3 4.43Å; L247-L344 HydrophobicContact CB-CD2 4.21Å; L247-L344 HydrophobicContact CD2-CB 4.13Å; L247-L344 HydrophobicContact CD2-CD2 3.67Å
248M91.2Very high91.1Very high51 Ų5141.2 Ų41.225%0.25121%0.209SC..Hα-helixtrans-66.5-44.2175.3-169.1-77.2-66.700110.5A244 S245 K246 K251 A252 W341 L592A244-M248 VanDerWaalsContact O-CB 3.26Å; A244-M248 WeakPolarHBondContact O-CB 3.44Å; A244-M248 PolarHBondContact O-N 3.17Å; S245-M248 WeakPolarHBondContact O-CB 3.44Å; S245-M248 PolarHBondContact O-N 3.28Å; S245-M248 VanDerWaalsContact O-N 3.1Å; K246-M248 VanDerWaalsContact C-N 3.28Å; K246-M248 PolarHBondContact O-N 3.29Å; M248-K251 WeakPolarHBondContact O-CB 3.49Å; M248-K251 PolarHBondContact O-N 2.68Å; M248-A252 PolarHBondContact O-N 3.34Å; M248-W341 HydrophobicContact CB-CE3 4.49Å; M248-W341 HydrophobicContact CB-CH2 4.19Å; M248-W341 HydrophobicContact CB-CZ3 3.87Å; M248-W341 HydrophobicContact CG-CH2 4.35Å; M248-W341 HydrophobicContact CG-CZ3 4.45Å; M248-L592 HydrophobicContact CB-CD1 3.94Å; M248-L592 HydrophobicContact CE-CD1 3.74Å; M248-L592 HydrophobicContact CE-CD2 4.03Å; M248-L592 HydrophobicContact CG-CD1 3.94Å; M248-L592 HydrophobicContact CG-CD2 4.23Å
249T90.2Very high91.3Very high67 Ų6742.8 Ų42.841%0.41122%0.215SC..Hα-helixtrans-59-51.3172.1-45.50000111.3S245 K246 K251 A252 D253S245-T249 PolarHBondContact O-N 3.47Å; S245-T249 VanDerWaalsContact O-N 3.11Å; S245-T249 PolarHBondContact O-OG1 2.93Å; K246-T249 PolarHBondContact O-N 2.93Å; T249-K251 PolarHBondContact O-N 3.1Å; T249-K251 VanDerWaalsContact O-N 3.15Å; T249-A252 PolarHBondContact O-N 3.26Å; T249-A252 VanDerWaalsContact O-N 3.09Å; T249-D253 VanDerWaalsContact O-CG 3.27Å; T249-D253 PolarHBondContact O-N 3.11Å
250E88.4Confident91.5Very high37 Ų3745.4 Ų45.417%0.17323%0.231CC..Hα-helixtrans-59.2-31177.5-73.9-173.7-147.400113K246 A254 R333 R470K246-E250 PolarHBondContact O-N 3.4Å; E250-A254 VanDerWaalsContact O-CB 3.32Å; E250-A254 WeakPolarHBondContact O-CB 3.29Å; E250-A254 PolarHBondContact O-N 3.04Å; E250-R333 IonicContact OE2-NH2 2.81Å; E250-R470 IonicContact OE1-NH1 3.54Å
251K92Very high91.7Very high39 Ų3945.6 Ų45.617%0.1723%0.232CC..Hα-helixtrans-73.1-44.5176.8-178.4-164.9162.5-154.10110.8L247 M248 T249 A254 E255 W341L247-K251 WeakPolarHBondContact O-CB 3.44Å; L247-K251 PolarHBondContact O-N 3.02Å; M248-K251 WeakPolarHBondContact O-CB 3.49Å; M248-K251 PolarHBondContact O-N 2.68Å; T249-K251 PolarHBondContact O-N 3.1Å; T249-K251 VanDerWaalsContact O-N 3.15Å; K251-A254 PolarHBondContact O-N 3.09Å; K251-E255 WeakPolarHBondContact CE-OE1 3.33Å; K251-E255 IonicContact NZ-OE1 2.82Å; K251-E255 WeakPolarHBondContact O-CG 3.19Å; K251-E255 PolarHBondContact O-N 3.18Å; K251-W341 HydrophobicContact CD-CB 4.18Å; K251-W341 HydrophobicContact CD-CG 4.15Å
252A93.4Very high91.7Very high42 Ų4245.4 Ų45.435%0.34723%0.231SC..Hα-helixtrans-60.4-47.9176.200000111M248 T249 A254 E255 E256M248-A252 PolarHBondContact O-N 3.34Å; T249-A252 PolarHBondContact O-N 3.26Å; T249-A252 VanDerWaalsContact O-N 3.09Å; A252-A254 PolarHBondContact O-N 3.15Å; A252-E255 WeakPolarHBondContact O-CB 3.39Å; A252-E255 PolarHBondContact O-N 3.4Å; A252-E256 PolarHBondContact O-N 3.39Å
253D92.5Very high91.6Very high90 Ų9050 Ų5048%0.48125%0.253SS..Hα-helixtrans-58-37.4175.8-60.9-14.5000112.2T249 N257T249-D253 VanDerWaalsContact O-CG 3.27Å; T249-D253 PolarHBondContact O-N 3.11Å; D253-N257 VanDerWaalsContact O-CB 3.3Å; D253-N257 WeakPolarHBondContact O-CB 3.21Å; D253-N257 PolarHBondContact O-N 2.95Å; D253-N257 VanDerWaalsContact O-N 3.08Å
254A91.8Very high91.7Very high2 Ų250.5 Ų50.52%0.01726%0.257CS..Hα-helixtrans-75-28.1178.200000113.2E250 K251 A252 L258 R333 T337E250-A254 VanDerWaalsContact O-CB 3.32Å; E250-A254 WeakPolarHBondContact O-CB 3.29Å; E250-A254 PolarHBondContact O-N 3.04Å; K251-A254 PolarHBondContact O-N 3.09Å; A252-A254 PolarHBondContact O-N 3.15Å; A254-L258 WeakPolarHBondContact O-CB 3.17Å; A254-L258 PolarHBondContact O-N 2.92Å; A254-R333 HydrophobicContact CB-CG 3.98Å; A254-T337 HydrophobicContact CB-CG2 4.13Å
255E93.6Very high91.6Very high62 Ų6250.6 Ų50.629%0.2926%0.257SS..Hα-helixtrans-72.3-47.4173.3-79.8173.617000110.4K251 A252 L258 E259 H334K251-E255 WeakPolarHBondContact CE-OE1 3.33Å; K251-E255 IonicContact NZ-OE1 2.82Å; K251-E255 WeakPolarHBondContact O-CG 3.19Å; K251-E255 PolarHBondContact O-N 3.18Å; A252-E255 WeakPolarHBondContact O-CB 3.39Å; A252-E255 PolarHBondContact O-N 3.4Å; E255-L258 WeakPolarHBondContact O-CB 3.4Å; E255-L258 PolarHBondContact O-N 3.09Å; E255-L258 VanDerWaalsContact O-N 3.17Å; E255-E259 WeakPolarHBondContact O-CG 3.34Å; E255-E259 PolarHBondContact O-N 3.21Å; E255-H334 VanDerWaalsContact CG-ND1 3.29Å; E255-H334 WeakPolarHBondContact CG-ND1 3.49Å; E255-H334 IonicContact OE1-CE1 2.75Å
256E94.6Very high91.4Very high119 Ų11955.2 Ų55.256%0.55627%0.274SS*.Hα-helixtrans-59.9-51.2176.3-176.2178.4-178.400111.9A252 L258 E259 D260A252-E256 PolarHBondContact O-N 3.39Å; E256-L258 PolarHBondContact O-N 3.45Å; E256-E259 WeakPolarHBondContact O-CA 3.49Å; E256-E259 WeakPolarHBondContact O-CB 3.29Å; E256-E259 PolarHBondContact O-N 3.46Å; E256-D260 PolarHBondContact O-N 3.23Å
257N93.8Very high91.3Very high75 Ų7557.9 Ų57.940%0.40129%0.286SS..Hα-helixtrans-62-28.8177.3179.736.4000112.7D253 V261D253-N257 VanDerWaalsContact O-CB 3.3Å; D253-N257 WeakPolarHBondContact O-CB 3.21Å; D253-N257 PolarHBondContact O-N 2.95Å; D253-N257 VanDerWaalsContact O-N 3.08Å; N257-V261 VanDerWaalsContact O-CG2 3.23Å; N257-V261 WeakPolarHBondContact O-CG2 3.32Å; N257-V261 PolarHBondContact O-N 3Å
258L94.1Very high91.2Very high1 Ų158.5 Ų58.51%0.00529%0.29CS..Hα-helixtrans-69.6-44172.4177.563.6000110.6A254 E255 E256 V261 M262 P290 Y293 A330 V331 H334A254-L258 WeakPolarHBondContact O-CB 3.17Å; A254-L258 PolarHBondContact O-N 2.92Å; E255-L258 WeakPolarHBondContact O-CB 3.4Å; E255-L258 PolarHBondContact O-N 3.09Å; E255-L258 VanDerWaalsContact O-N 3.17Å; E256-L258 PolarHBondContact O-N 3.45Å; L258-V261 PolarHBondContact O-N 3.41Å; L258-M262 HydrophobicContact CD1-CE 3.89Å; L258-M262 HydrophobicContact CD1-CG 4.07Å; L258-M262 HydrophobicContact CD1-SD 4.42Å; L258-M262 HydrophobicContact CG-CG 4.27Å; L258-M262 WeakPolarHBondContact O-CB 3.49Å; L258-M262 WeakPolarHBondContact O-CG 3.37Å; L258-M262 PolarHBondContact O-N 3.29Å; L258-P290 HydrophobicContact CD2-CG 4.24Å; L258-Y293 HydrophobicContact CD2-CE2 4.43Å; L258-A330 HydrophobicContact CD1-CB 3.96Å; L258-V331 HydrophobicContact CD1-CG2 3.75Å; L258-H334 HydrophobicContact CB-CB 4.46Å; L258-H334 HydrophobicContact CD2-CB 3.75Å
259E92Very high90.9Very high109 Ų10956.5 Ų56.551%0.50928%0.282SS..Hα-helixtrans-58.9-47.2177-72.7177.1-179.300111.9E255 E256 V261 M262 E263 Y293E255-E259 WeakPolarHBondContact O-CG 3.34Å; E255-E259 PolarHBondContact O-N 3.21Å; E256-E259 WeakPolarHBondContact O-CA 3.49Å; E256-E259 WeakPolarHBondContact O-CB 3.29Å; E256-E259 PolarHBondContact O-N 3.46Å; E259-V261 PolarHBondContact O-N 2.89Å; E259-M262 PolarHBondContact O-N 3.44Å; E259-M262 VanDerWaalsContact O-N 3.16Å; E259-E263 PolarHBondContact O-N 3.48Å; E259-Y293 VanDerWaalsContact CG-OH 3.25Å; E259-Y293 WeakPolarHBondContact CG-OH 3.41Å
260D93.8Very high90.5Very high86 Ų8658.2 Ų58.246%0.4629%0.285SS..Hα-helixtrans-56.4-49.8176.7-70.4-19.9000111.9E256 M262 E263 E264E256-D260 PolarHBondContact O-N 3.23Å; D260-M262 VanDerWaalsContact C-N 3.32Å; D260-M262 PolarHBondContact O-N 3.18Å; D260-E263 WeakPolarHBondContact O-CB 3.45Å; D260-E263 PolarHBondContact O-N 2.88Å; D260-E264 PolarHBondContact O-N 3.23Å
261V93.8Very high90.1Very high7 Ų757.5 Ų57.54%0.04228%0.284CS..Hα-helixtrans-67-35.2179.9174.70000111N257 L258 E259 E263 E264 V265 Q326 V327 A330N257-V261 VanDerWaalsContact O-CG2 3.23Å; N257-V261 WeakPolarHBondContact O-CG2 3.32Å; N257-V261 PolarHBondContact O-N 3Å; L258-V261 PolarHBondContact O-N 3.41Å; E259-V261 PolarHBondContact O-N 2.89Å; V261-E263 VanDerWaalsContact C-N 3.31Å; V261-E264 PolarHBondContact O-N 2.63Å; V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.23Å; V261-V265 PolarHBondContact O-N 2.94Å; V261-Q326 HydrophobicContact CG1-CB 4.32Å; V261-Q326 HydrophobicContact CG2-CB 4.49Å; V261-V327 HydrophobicContact CG1-CB 4.35Å; V261-V327 HydrophobicContact CG1-CG2 3.54Å; V261-A330 HydrophobicContact CB-CB 4.36Å; V261-A330 HydrophobicContact CG2-CB 4.3Å
262M91.8Very high89.5Confident5 Ų555.8 Ų55.83%0.02528%0.276CS..Hα-helixtrans-67-33.6174.9-70.3-56.197.300111.7L258 E259 D260 V265 R266 C289 Y293 M297 V327L258-M262 HydrophobicContact CD1-CE 3.89Å; L258-M262 HydrophobicContact CD1-CG 4.07Å; L258-M262 HydrophobicContact CD1-SD 4.42Å; L258-M262 HydrophobicContact CG-CG 4.27Å; L258-M262 WeakPolarHBondContact O-CB 3.49Å; L258-M262 WeakPolarHBondContact O-CG 3.37Å; L258-M262 PolarHBondContact O-N 3.29Å; E259-M262 PolarHBondContact O-N 3.44Å; E259-M262 VanDerWaalsContact O-N 3.16Å; D260-M262 VanDerWaalsContact C-N 3.32Å; D260-M262 PolarHBondContact O-N 3.18Å; M262-V265 HydrophobicContact CE-CG2 4.41Å; M262-V265 PolarHBondContact O-N 3.43Å; M262-R266 PolarHBondContact O-N 3.07Å; M262-C289 HydrophobicContact SD-CB 3.84Å; M262-Y293 HydrophobicContact CB-CD1 3.83Å; M262-Y293 HydrophobicContact CB-CE1 3.98Å; M262-Y293 HydrophobicContact CG-CD1 3.7Å; M262-Y293 HydrophobicContact CG-CD2 4.36Å; M262-Y293 HydrophobicContact CG-CE1 3.91Å; M262-Y293 HydrophobicContact CG-CG 3.94Å; M262-Y293 HydrophobicContact SD-CG 4.33Å; M262-M297 VanDerWaalsContact O-CE 3.25Å; M262-M297 WeakPolarHBondContact O-CE 3.22Å; M262-V327 HydrophobicContact CE-CG1 4.02Å; M262-V327 HydrophobicContact CE-CG2 4.05Å
263E89.3Confident88.6Confident98 Ų9859.3 Ų59.346%0.45828%0.284SS..Hα-helixtrans-67.3-40.8173.3-162-170.215300111.8E259 D260 V261 V265 R266 K267E259-E263 PolarHBondContact O-N 3.48Å; D260-E263 WeakPolarHBondContact O-CB 3.45Å; D260-E263 PolarHBondContact O-N 2.88Å; V261-E263 VanDerWaalsContact C-N 3.31Å; E263-V265 PolarHBondContact O-N 2.86Å; E263-R266 VanDerWaalsContact O-CB 3.31Å; E263-R266 WeakPolarHBondContact O-CB 3.32Å; E263-R266 PolarHBondContact O-N 3.04Å; E263-K267 WeakPolarHBondContact O-CG 3.24Å; E263-K267 PolarHBondContact O-N 3.31Å; E263-K267 WeakPolarHBondContact OE1-CE 3.33Å; E263-K267 IonicContact OE1-NZ 3.63Å; E263-K267 PolarHBondContact OE1-NZ 3.15Å
264E90.3Very high87.6Confident92 Ų9262.5 Ų62.543%0.4329%0.29SS..Hα-helixtrans-61.2-43.2172.8-68.9-162.7142.300112D260 V261 R266 K267 V268 L323D260-E264 PolarHBondContact O-N 3.23Å; V261-E264 PolarHBondContact O-N 2.63Å; E264-R266 VanDerWaalsContact C-N 3.27Å; E264-R266 PolarHBondContact O-N 2.94Å; E264-K267 PolarHBondContact O-N 3.42Å; E264-V268 WeakPolarHBondContact O-CB 3.49Å; E264-V268 WeakPolarHBondContact O-CG2 3.28Å; E264-V268 PolarHBondContact O-N 3.23Å; E264-L323 HydrophobicContact CB-CD1 3.95Å
265V90.3Very high86.6Confident3 Ų370.1 Ų70.12%0.01833%0.331CS..Hα-helixtrans-59.9-40.7174.5173.50000110.7V261 M262 E263 V268 S269 I285 L286 M297 L323 V327V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.23Å; V261-V265 PolarHBondContact O-N 2.94Å; M262-V265 HydrophobicContact CE-CG2 4.41Å; M262-V265 PolarHBondContact O-N 3.43Å; E263-V265 PolarHBondContact O-N 2.86Å; V265-V268 PolarHBondContact O-N 3.45Å; V265-S269 VanDerWaalsContact O-CB 3.29Å; V265-S269 WeakPolarHBondContact O-CB 3.39Å; V265-S269 PolarHBondContact O-N 2.89Å; V265-S269 PolarHBondContact O-OG 3.22Å; V265-I285 HydrophobicContact CG1-CG2 4.21Å; V265-I285 HydrophobicContact CG2-CG2 3.96Å; V265-L286 HydrophobicContact CG1-CD2 3.74Å; V265-M297 HydrophobicContact CB-CE 4.25Å; V265-M297 HydrophobicContact CG1-CE 4.05Å; V265-M297 HydrophobicContact CG1-SD 4.45Å; V265-L323 HydrophobicContact CG2-CD1 4.1Å; V265-L323 HydrophobicContact CG2-CD2 4.17Å; V265-L323 HydrophobicContact CG2-CG 4.15Å; V265-V327 HydrophobicContact CG2-CG2 3.4Å
266R86.4Confident85.9Confident98 Ų9869.8 Ų69.837%0.3733%0.329SS..Hα-helixtrans-59.3-55.6176.6-168.4177.2171.7161.61.1111.5M262 E263 E264 V268 S269 E270 M297 N300M262-R266 PolarHBondContact O-N 3.07Å; E263-R266 VanDerWaalsContact O-CB 3.31Å; E263-R266 WeakPolarHBondContact O-CB 3.32Å; E263-R266 PolarHBondContact O-N 3.04Å; E264-R266 VanDerWaalsContact C-N 3.27Å; E264-R266 PolarHBondContact O-N 2.94Å; R266-V268 VanDerWaalsContact C-N 3.29Å; R266-V268 PolarHBondContact O-N 3.38Å; R266-S269 PolarHBondContact O-N 3.3Å; R266-S269 PolarHBondContact O-OG 3.4Å; R266-E270 VanDerWaalsContact CG-OE1 3.31Å; R266-E270 WeakPolarHBondContact CG-OE1 3.32Å; R266-E270 IonicContact CZ-OE1 3.67Å; R266-E270 IonicContact NE-OE1 3.15Å; R266-E270 PolarHBondContact NE-OE1 3.01Å; R266-E270 IonicContact NH2-OE1 3.62Å; R266-E270 WeakPolarHBondContact O-CG 3.37Å; R266-E270 PolarHBondContact O-N 3.38Å; R266-M297 VanDerWaalsContact CA-CE 3.47Å; R266-M297 HydrophobicContact CB-CE 3.48Å; R266-M297 VanDerWaalsContact CB-CE 3.48Å; R266-M297 HydrophobicContact CG-CE 4.11Å; R266-N300 PolarHBondContact NH2-ND2 2.64Å
267K85.9Confident85.1Confident116 Ų11669.1 Ų69.150%0.50434%0.335SS..Hα-helixtrans-55.7-44.7179.7-70.7170.1-178.2163.40111.6E263 E264 E270 S271E263-K267 WeakPolarHBondContact O-CG 3.24Å; E263-K267 PolarHBondContact O-N 3.31Å; E263-K267 WeakPolarHBondContact OE1-CE 3.33Å; E263-K267 IonicContact OE1-NZ 3.63Å; E263-K267 PolarHBondContact OE1-NZ 3.15Å; E264-K267 PolarHBondContact O-N 3.42Å; K267-E270 PolarHBondContact O-N 3.23Å; K267-S271 WeakPolarHBondContact O-CB 3.1Å; K267-S271 PolarHBondContact O-N 3.35Å
268V86.9Confident84.6Confident29 Ų2966.9 Ų66.918%0.17632%0.323CS..Hα-helixtrans-67.3-38.9177.71690000111.8E264 V265 R266 S271 I272 I282 P315 L320 L323E264-V268 WeakPolarHBondContact O-CB 3.49Å; E264-V268 WeakPolarHBondContact O-CG2 3.28Å; E264-V268 PolarHBondContact O-N 3.23Å; V265-V268 PolarHBondContact O-N 3.45Å; R266-V268 VanDerWaalsContact C-N 3.29Å; R266-V268 PolarHBondContact O-N 3.38Å; V268-S271 PolarHBondContact O-N 2.87Å; V268-S271 PolarHBondContact O-OG 3.47Å; V268-I272 HydrophobicContact CG1-CD1 4.41Å; V268-I272 PolarHBondContact O-N 2.87Å; V268-I282 HydrophobicContact CG1-CD1 3.95Å; V268-I282 HydrophobicContact CG1-CG1 4.21Å; V268-P315 HydrophobicContact CG1-CG 4.02Å; V268-L320 HydrophobicContact CG1-CD2 4.13Å; V268-L323 HydrophobicContact CB-CD2 4.11Å; V268-L323 HydrophobicContact CG1-CD2 4.19Å; V268-L323 HydrophobicContact CG2-CD2 3.98Å
269S84.9Confident84.1Confident10 Ų1068.3 Ų68.37%0.0733%0.328CS..Hα-helixtrans-65.1-38.617777.70000112.7V265 R266 M301V265-S269 VanDerWaalsContact O-CB 3.29Å; V265-S269 WeakPolarHBondContact O-CB 3.39Å; V265-S269 PolarHBondContact O-N 2.89Å; V265-S269 PolarHBondContact O-OG 3.22Å; R266-S269 PolarHBondContact O-N 3.3Å; R266-S269 PolarHBondContact O-OG 3.4Å; S269-M301 WeakPolarHBondContact OG-CE 3.37Å
270E81.1Confident83.7Confident102 Ų10271.1 Ų71.148%0.47734%0.339SS..Hα-helixtrans-70.1-34.2177.1-70.6169.6-178.600111.2R266 K267 I272 M301R266-E270 VanDerWaalsContact CG-OE1 3.31Å; R266-E270 WeakPolarHBondContact CG-OE1 3.32Å; R266-E270 IonicContact CZ-OE1 3.67Å; R266-E270 IonicContact NE-OE1 3.15Å; R266-E270 PolarHBondContact NE-OE1 3.01Å; R266-E270 IonicContact NH2-OE1 3.62Å; R266-E270 WeakPolarHBondContact O-CG 3.37Å; R266-E270 PolarHBondContact O-N 3.38Å; K267-E270 PolarHBondContact O-N 3.23Å; E270-I272 VanDerWaalsContact C-N 3.34Å; E270-I272 PolarHBondContact O-N 2.93Å; E270-M301 HydrophobicContact CB-CE 4.33Å; E270-M301 HydrophobicContact CG-CE 3.5Å; E270-M301 VanDerWaalsContact CG-CE 3.5Å
271S80.4Confident83.3Confident22 Ų2267.9 Ų67.915%0.15432%0.323CS..Hα-helixtrans-71.1-22.4179.574.90000114.9K267 V268K267-S271 WeakPolarHBondContact O-CB 3.1Å; K267-S271 PolarHBondContact O-N 3.35Å; V268-S271 PolarHBondContact O-N 2.87Å; V268-S271 PolarHBondContact O-OG 3.47Å
272I78.7Confident82.9Confident3 Ų367.7 Ų67.72%0.01532%0.322CS..SBendtrans-107.2108.3-172.5-64-175.1000111V268 E270 H276 L278 R279 I282 P315 L320V268-I272 HydrophobicContact CG1-CD1 4.41Å; V268-I272 PolarHBondContact O-N 2.87Å; E270-I272 VanDerWaalsContact C-N 3.34Å; E270-I272 PolarHBondContact O-N 2.93Å; I272-H276 HydrophobicContact CG2-CB 3.65Å; I272-L278 HydrophobicContact CD1-CB 4.21Å; I272-R279 PolarHBondContact O-NH1 2.91Å; I272-I282 HydrophobicContact CB-CD1 3.56Å; I272-I282 HydrophobicContact CD1-CD1 3.29Å; I272-I282 HydrophobicContact CD1-CG1 4.33Å; I272-I282 HydrophobicContact CG1-CD1 3.76Å; I272-I282 HydrophobicContact CG2-CD1 3.99Å; I272-P315 HydrophobicContact CD1-CG 3.6Å; I272-P315 HydrophobicContact CG1-CG 4.21Å; I272-L320 HydrophobicContact CD1-CD1 4.42Å
273K74.6Confident82.6Confident116 Ų11670.3 Ų70.350%0.50434%0.336SS..  trans-58.2152.3175.3-60.5-168.2-179.4-168.30112.2N275 H276K273-N275 PolarHBondContact O-N 3.04Å; K273-N275 VanDerWaalsContact O-N 3.13Å; K273-H276 WeakPolarHBondContact O-CB 3.48Å; K273-H276 PolarHBondContact O-N 3.36Å; K273-H276 VanDerWaalsContact O-N 3.14Å
274Y71.1Confident82.5Confident157 Ų15768.4 Ų68.462%0.61633%0.331SS*.THydrogen-bonded Turntrans-54.4-32.6-177.3-91.2-87000114.6H276 R279Y274-H276 VanDerWaalsContact C-N 3.35Å; Y274-H276 PolarHBondContact O-N 3.35Å; Y274-R279 PolarHBondContact OH-NH2 3.41Å
275N71.8Confident82.4Confident163 Ų16364.1 Ų64.187%0.87231%0.311SS*.THydrogen-bonded Turntrans-85.3-1.4-175.8-66.4-18.8000114.4K273K273-N275 PolarHBondContact O-N 3.04Å; K273-N275 VanDerWaalsContact O-N 3.13Å
276H78.3Confident82.2Confident54 Ų5465.8 Ų65.825%0.2532%0.319CS..SBendtrans-78.4139.8-175.5-164.5-90.8000112I272 K273 Y274 L278 R279I272-H276 HydrophobicContact CG2-CB 3.65Å; K273-H276 WeakPolarHBondContact O-CB 3.48Å; K273-H276 PolarHBondContact O-N 3.36Å; K273-H276 VanDerWaalsContact O-N 3.14Å; Y274-H276 VanDerWaalsContact C-N 3.35Å; Y274-H276 PolarHBondContact O-N 3.35Å; H276-L278 VanDerWaalsContact CE1-CD1 3.41Å; H276-L278 WeakPolarHBondContact CE1-CD1 3.4Å; H276-L278 VanDerWaalsContact CE1-CG 3.45Å; H276-L278 WeakPolarHBondContact CE1-CG 3.03Å; H276-L278 WeakPolarHBondContact ND1-CB 3.06Å; H276-L278 PolarHBondContact ND1-N 3.11Å; H276-L278 VanDerWaalsContact ND1-N 3.19Å; H276-L278 PolarHBondContact O-N 3.46Å; H276-L278 VanDerWaalsContact O-N 3.11Å; H276-R279 WeakPolarHBondContact O-CB 3.48Å; H276-R279 PolarHBondContact O-N 3.48Å
277P78.8Confident82.3Confident105 Ų10570.8 Ų70.868%0.68234%0.338SS*.THydrogen-bonded Turntrans-58.1-29.3179.921.6-34.2000114R279P277-R279 PolarHBondContact O-N 2.88Å
278L82.4Confident82.3Confident28 Ų2870.8 Ų70.815%0.14734%0.338CS..THydrogen-bonded Turntrans-74.1-7.4176.7-59173.2000113.9I272 H276 K280 C281 I282 P315 E317 L320I272-L278 HydrophobicContact CD1-CB 4.21Å; H276-L278 VanDerWaalsContact CE1-CD1 3.41Å; H276-L278 WeakPolarHBondContact CE1-CD1 3.4Å; H276-L278 VanDerWaalsContact CE1-CG 3.45Å; H276-L278 WeakPolarHBondContact CE1-CG 3.03Å; H276-L278 WeakPolarHBondContact ND1-CB 3.06Å; H276-L278 PolarHBondContact ND1-N 3.11Å; H276-L278 VanDerWaalsContact ND1-N 3.19Å; H276-L278 PolarHBondContact O-N 3.46Å; H276-L278 VanDerWaalsContact O-N 3.11Å; L278-K280 VanDerWaalsContact C-N 3.29Å; L278-K280 PolarHBondContact O-N 2.9Å; L278-C281 VanDerWaalsContact O-CB 3.3Å; L278-C281 WeakPolarHBondContact O-CB 3.21Å; L278-C281 PolarHBondContact O-N 3.48Å; L278-I282 PolarHBondContact O-N 3.47Å; L278-P315 WeakPolarHBondContact CD1-O 3.45Å; L278-E317 HydrophobicContact CD2-CB 4.35Å; L278-E317 HydrophobicContact CD2-CG 4.49Å; L278-L320 HydrophobicContact CB-CD1 3.99Å; L278-L320 HydrophobicContact CD1-CD1 3.69Å; L278-L320 HydrophobicContact CD2-CD1 4.05Å; L278-L320 HydrophobicContact CG-CD1 4.12Å
279R83.3Confident82.3Confident31 Ų3169.8 Ų69.812%0.11733%0.333CS..Hα-helixtrans-60.2-39.6178.8-175.758.3-179-109.6-3.2112.1I272 Y274 H276 P277 C281 I282 D283I272-R279 PolarHBondContact O-NH1 2.91Å; Y274-R279 PolarHBondContact OH-NH2 3.41Å; H276-R279 WeakPolarHBondContact O-CB 3.48Å; H276-R279 PolarHBondContact O-N 3.48Å; P277-R279 PolarHBondContact O-N 2.88Å; R279-C281 PolarHBondContact O-N 3.23Å; R279-I282 PolarHBondContact O-N 3.08Å; R279-I282 VanDerWaalsContact O-N 3.08Å; R279-D283 IonicContact NE-OD1 3.78Å; R279-D283 PolarHBondContact NE-OD1 2.94Å; R279-D283 VanDerWaalsContact O-CG 3.24Å; R279-D283 PolarHBondContact O-N 3.48Å
280K84.8Confident82.4Confident168 Ų16870.7 Ų70.773%0.7334%0.338SS*.Hα-helixtrans-57.1-35.1174.2-66.2-179-179.7177.10112.7L278 T284L278-K280 VanDerWaalsContact C-N 3.29Å; L278-K280 PolarHBondContact O-N 2.9Å; K280-T284 PolarHBondContact O-N 3.37Å; K280-T284 PolarHBondContact O-OG1 3.26Å
281C84.4Confident82.6Confident19 Ų1969.9 Ų69.913%0.12834%0.34CS..Hα-helixtrans-69.6-44.2177.5-59.70000110.7F149 L278 R279 T284 I285F149-C281 HydrophobicContact CD1-CB 4.19Å; F149-C281 HydrophobicContact CD2-CB 4.08Å; F149-C281 HydrophobicContact CE1-CB 3.93Å; F149-C281 WeakPolarHBondContact CE1-O 3.32Å; F149-C281 HydrophobicContact CE2-CB 3.82Å; F149-C281 HydrophobicContact CG-CB 4.27Å; F149-C281 HydrophobicContact CZ-CB 3.75Å; L278-C281 VanDerWaalsContact O-CB 3.3Å; L278-C281 WeakPolarHBondContact O-CB 3.21Å; L278-C281 PolarHBondContact O-N 3.48Å; R279-C281 PolarHBondContact O-N 3.23Å; C281-T284 WeakPolarHBondContact O-CB 3.47Å; C281-T284 PolarHBondContact O-N 2.87Å; C281-I285 WeakPolarHBondContact O-CG1 3.38Å; C281-I285 PolarHBondContact O-N 3.16Å; C281-I285 VanDerWaalsContact O-N 3.09Å
282I85.9Confident82.6Confident3 Ų374 Ų742%0.01536%0.36CS..Hα-helixtrans-63.5-45.2175.2-70.5167.5000111.3V268 I272 L278 R279 T284 I285 L286 L320V268-I282 HydrophobicContact CG1-CD1 3.95Å; V268-I282 HydrophobicContact CG1-CG1 4.21Å; I272-I282 HydrophobicContact CB-CD1 3.56Å; I272-I282 HydrophobicContact CD1-CD1 3.29Å; I272-I282 HydrophobicContact CD1-CG1 4.33Å; I272-I282 HydrophobicContact CG1-CD1 3.76Å; I272-I282 HydrophobicContact CG2-CD1 3.99Å; L278-I282 PolarHBondContact O-N 3.47Å; R279-I282 PolarHBondContact O-N 3.08Å; R279-I282 VanDerWaalsContact O-N 3.08Å; I282-T284 PolarHBondContact O-N 2.91Å; I282-I285 CarbonylContact O-C 3.6Å; I282-I285 WeakPolarHBondContact O-CA 3.29Å; I282-I285 WeakPolarHBondContact O-CB 3.33Å; I282-I285 PolarHBondContact O-N 3.4Å; I282-L286 HydrophobicContact CG2-CD1 3.82Å; I282-L286 HydrophobicContact CG2-CG 4Å; I282-L286 WeakPolarHBondContact O-CG 3.39Å; I282-L286 PolarHBondContact O-N 2.62Å; I282-L320 HydrophobicContact CD1-CD2 4.38Å; I282-L320 HydrophobicContact CG1-CD2 3.65Å
283D85.3Confident82.7Confident60 Ų6076.2 Ų76.232%0.32137%0.369SS..Hα-helixtrans-59.8-33.3178.9-61-25.3000111R279 R287R279-D283 IonicContact NE-OD1 3.78Å; R279-D283 PolarHBondContact NE-OD1 2.94Å; R279-D283 VanDerWaalsContact O-CG 3.24Å; R279-D283 PolarHBondContact O-N 3.48Å; D283-R287 VanDerWaalsContact O-CG 3.27Å; D283-R287 WeakPolarHBondContact O-CG 3.37Å; D283-R287 PolarHBondContact O-N 2.89Å; D283-R287 VanDerWaalsContact O-N 3.13Å
284T86.9Confident83Confident57 Ų5774 Ų7435%0.3536%0.36SS..Hα-helixtrans-66.6-39.5172.4-55.70000112.1F149 K280 C281 I282F149-T284 HydrophobicContact CD1-CG2 4.19Å; K280-T284 PolarHBondContact O-N 3.37Å; K280-T284 PolarHBondContact O-OG1 3.26Å; C281-T284 WeakPolarHBondContact O-CB 3.47Å; C281-T284 PolarHBondContact O-N 2.87Å; I282-T284 PolarHBondContact O-N 2.91Å
285I88.2Confident83.3Confident2 Ų272.4 Ų72.41%0.0136%0.358CS..Hα-helixtrans-65.6-48.2174.6-63.7171000110.6F149 V265 C281 I282 R287 K288 C289 L320 L323 H324 V327F149-I285 HydrophobicContact CE1-CD1 4.37Å; F149-I285 HydrophobicContact CE1-CG1 3.98Å; F149-I285 HydrophobicContact CZ-CD1 4.06Å; F149-I285 HydrophobicContact CZ-CG1 4.18Å; V265-I285 HydrophobicContact CG1-CG2 4.21Å; V265-I285 HydrophobicContact CG2-CG2 3.96Å; C281-I285 WeakPolarHBondContact O-CG1 3.38Å; C281-I285 PolarHBondContact O-N 3.16Å; C281-I285 VanDerWaalsContact O-N 3.09Å; I282-I285 CarbonylContact O-C 3.6Å; I282-I285 WeakPolarHBondContact O-CA 3.29Å; I282-I285 WeakPolarHBondContact O-CB 3.33Å; I282-I285 PolarHBondContact O-N 3.4Å; I285-R287 VanDerWaalsContact C-N 3.27Å; I285-R287 PolarHBondContact O-N 3.12Å; I285-K288 WeakPolarHBondContact O-CA 3.44Å; I285-K288 WeakPolarHBondContact O-CB 3.38Å; I285-K288 PolarHBondContact O-N 3.12Å; I285-C289 PolarHBondContact O-N 3.12Å; I285-L320 HydrophobicContact CD1-CD2 3.99Å; I285-L323 HydrophobicContact CD1-CD2 4.4Å; I285-H324 HydrophobicContact CD1-CB 4.01Å; I285-H324 HydrophobicContact CG1-CB 3.75Å; I285-V327 HydrophobicContact CG2-CB 4.32Å; I285-V327 HydrophobicContact CG2-CG1 4.31Å; I285-V327 HydrophobicContact CG2-CG2 3.84Å
286L86.9Confident83.4Confident38 Ų3871 Ų7120%0.19934%0.344CS..Hα-helixtrans-59-38.5-179-71.4173.9000111.9V265 I282 K288 C289 Q294 M297V265-L286 HydrophobicContact CG1-CD2 3.74Å; I282-L286 HydrophobicContact CG2-CD1 3.82Å; I282-L286 HydrophobicContact CG2-CG 4Å; I282-L286 WeakPolarHBondContact O-CG 3.39Å; I282-L286 PolarHBondContact O-N 2.62Å; L286-K288 PolarHBondContact O-N 3.42Å; L286-K288 VanDerWaalsContact O-N 3.13Å; L286-C289 WeakPolarHBondContact O-CB 3.44Å; L286-C289 PolarHBondContact O-N 3.48Å; L286-Q294 PolarHBondContact O-NE2 3.21Å; L286-M297 HydrophobicContact CD2-SD 3.58Å; L286-M297 VanDerWaalsContact CD2-SD 3.58Å
287R86.6Confident83Confident204 Ų20469.5 Ų69.577%0.7734%0.338SS*.THydrogen-bonded Turntrans-61-18.9173.4-76174.5-179.4-167.70.9114.1D283 I285D283-R287 VanDerWaalsContact O-CG 3.27Å; D283-R287 WeakPolarHBondContact O-CG 3.37Å; D283-R287 PolarHBondContact O-N 2.89Å; D283-R287 VanDerWaalsContact O-N 3.13Å; I285-R287 VanDerWaalsContact C-N 3.27Å; I285-R287 PolarHBondContact O-N 3.12Å
288K87.1Confident82.2Confident116 Ų11666.5 Ų66.550%0.50433%0.326SS..THydrogen-bonded Turntrans-91.4-15.5176-62.4-60.7-175.8-177.90113.3I285 L286 V327I285-K288 WeakPolarHBondContact O-CA 3.44Å; I285-K288 WeakPolarHBondContact O-CB 3.38Å; I285-K288 PolarHBondContact O-N 3.12Å; L286-K288 PolarHBondContact O-N 3.42Å; L286-K288 VanDerWaalsContact O-N 3.13Å; K288-V327 HydrophobicContact CB-CG1 4.17Å
289C87.6Confident81.1Confident8 Ų875.1 Ų75.15%0.05436%0.357CS..SBendtrans-68.2153.7175.8-59.80000111.4M262 I285 L286 Q294M262-C289 HydrophobicContact SD-CB 3.84Å; I285-C289 PolarHBondContact O-N 3.12Å; L286-C289 WeakPolarHBondContact O-CB 3.44Å; L286-C289 PolarHBondContact O-N 3.48Å; C289-Q294 HydrophobicContact CB-CG 4.2Å; C289-Q294 PolarHBondContact O-NE2 3.2Å
290P87Confident79.7Confident28 Ų2877.8 Ų77.818%0.18237%0.373CS..  trans-63.5149.6173.7-14.728.6000111.4L258 D292 Y293 Q294 V331L258-P290 HydrophobicContact CD2-CG 4.24Å; P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 2.96Å; P290-Y293 HydrophobicContact CB-CD2 4.09Å; P290-Y293 HydrophobicContact CG-CD2 3.94Å; P290-Y293 HydrophobicContact CG-CE2 4.47Å; P290-Y293 PolarHBondContact O-N 3.26Å; P290-Q294 PolarHBondContact O-N 2.93Å; P290-V331 HydrophobicContact CG-CG2 4.3Å
291V83.4Confident78.2Confident85 Ų8572.5 Ų72.552%0.51535%0.352SS..Hα-helixtrans-56.5-40.9-176.9-174.50000111.4Y293 Q294 E295V291-Y293 PolarHBondContact O-N 3.37Å; V291-Y293 VanDerWaalsContact O-N 3.16Å; V291-Q294 WeakPolarHBondContact O-CB 3.4Å; V291-Q294 PolarHBondContact O-N 3.16Å; V291-E295 HydrophobicContact CG1-CG 4.4Å; V291-E295 PolarHBondContact O-N 3.32Å
292D80.8Confident76.8Confident109 Ų10978 Ų7858%0.58338%0.38SS*.Hα-helixtrans-57-33.2178.1-52.9-30.6000113.2P290 K296P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 2.96Å; D292-K296 WeakPolarHBondContact O-CD 3.21Å; D292-K296 VanDerWaalsContact O-CG 3.24Å; D292-K296 WeakPolarHBondContact O-CG 3.34Å
293Y81.4Confident75.2Confident49 Ų4984.9 Ų84.919%0.19242%0.417CS..Hα-helixtrans-86.2-33.4177.3-73.3-91.6000112L258 E259 M262 P290 V291 E295 K296 M297L258-Y293 HydrophobicContact CD2-CE2 4.43Å; E259-Y293 VanDerWaalsContact CG-OH 3.25Å; E259-Y293 WeakPolarHBondContact CG-OH 3.41Å; M262-Y293 HydrophobicContact CB-CD1 3.83Å; M262-Y293 HydrophobicContact CB-CE1 3.98Å; M262-Y293 HydrophobicContact CG-CD1 3.7Å; M262-Y293 HydrophobicContact CG-CD2 4.36Å; M262-Y293 HydrophobicContact CG-CE1 3.91Å; M262-Y293 HydrophobicContact CG-CG 3.94Å; M262-Y293 HydrophobicContact SD-CG 4.33Å; P290-Y293 HydrophobicContact CB-CD2 4.09Å; P290-Y293 HydrophobicContact CG-CD2 3.94Å; P290-Y293 HydrophobicContact CG-CE2 4.47Å; P290-Y293 PolarHBondContact O-N 3.26Å; V291-Y293 PolarHBondContact O-N 3.37Å; V291-Y293 VanDerWaalsContact O-N 3.16Å; Y293-E295 VanDerWaalsContact C-N 3.32Å; Y293-E295 PolarHBondContact O-N 3.35Å; Y293-K296 PolarHBondContact O-N 2.86Å; Y293-M297 WeakPolarHBondContact O-CB 3.33Å; Y293-M297 PolarHBondContact O-N 3.31Å
294Q80.9Confident73.7Confident69 Ų6991.6 Ų91.632%0.32244%0.439SS..Hα-helixtrans-59.4-44.3174.2-69.2175.1-1000111L286 C289 P290 V291 M297 G298L286-Q294 PolarHBondContact O-NE2 3.21Å; C289-Q294 HydrophobicContact CB-CG 4.2Å; C289-Q294 PolarHBondContact O-NE2 3.2Å; P290-Q294 PolarHBondContact O-N 2.93Å; V291-Q294 WeakPolarHBondContact O-CB 3.4Å; V291-Q294 PolarHBondContact O-N 3.16Å; Q294-M297 PolarHBondContact O-N 3.34Å; Q294-G298 PolarHBondContact O-N 3.18Å
295E77.1Confident72.1Confident124 Ų12497.4 Ų97.458%0.57946%0.462SS*.Hα-helixtrans-66-40.1178.1-68.9-179.6-175.700112.4V291 Y293 G298 R299V291-E295 HydrophobicContact CG1-CG 4.4Å; V291-E295 PolarHBondContact O-N 3.32Å; Y293-E295 VanDerWaalsContact C-N 3.32Å; Y293-E295 PolarHBondContact O-N 3.35Å; E295-G298 PolarHBondContact O-N 2.95Å; E295-R299 PolarHBondContact O-N 3.5Å
296K73.3Confident70.5Confident134 Ų134104.2 Ų104.258%0.58350%0.499SS*.Hα-helixtrans-66.8-35.3176.3-72.4173.2-174.41790112.8D292 Y293D292-K296 WeakPolarHBondContact O-CD 3.21Å; D292-K296 VanDerWaalsContact O-CG 3.24Å; D292-K296 WeakPolarHBondContact O-CG 3.34Å; Y293-K296 PolarHBondContact O-N 2.86Å
297M69.9Low68.8Low23 Ų23110.8 Ų110.811%0.11353%0.526CS..Hα-helixtrans-73.6-41.4174.4-89.5169.9-179.400112.4M262 V265 R266 L286 Y293 Q294 R299 N300M262-M297 VanDerWaalsContact O-CE 3.25Å; M262-M297 WeakPolarHBondContact O-CE 3.22Å; V265-M297 HydrophobicContact CB-CE 4.25Å; V265-M297 HydrophobicContact CG1-CE 4.05Å; V265-M297 HydrophobicContact CG1-SD 4.45Å; R266-M297 VanDerWaalsContact CA-CE 3.47Å; R266-M297 HydrophobicContact CB-CE 3.48Å; R266-M297 VanDerWaalsContact CB-CE 3.48Å; R266-M297 HydrophobicContact CG-CE 4.11Å; L286-M297 HydrophobicContact CD2-SD 3.58Å; L286-M297 VanDerWaalsContact CD2-SD 3.58Å; Y293-M297 WeakPolarHBondContact O-CB 3.33Å; Y293-M297 PolarHBondContact O-N 3.31Å; Q294-M297 PolarHBondContact O-N 3.34Å; M297-R299 VanDerWaalsContact C-N 3.31Å; M297-R299 PolarHBondContact O-N 3.01Å; M297-N300 PolarHBondContact O-N 2.92Å
298G62.3Low67.2Low42 Ų42106.4 Ų106.443%0.43352%0.518SS..Hα-helixtrans-61.9-36.8-178.600000113.1Q294 E295 N300Q294-G298 PolarHBondContact O-N 3.18Å; E295-G298 PolarHBondContact O-N 2.95Å; G298-N300 VanDerWaalsContact C-N 3.3Å; G298-N300 PolarHBondContact O-N 3Å
299R59Low65.5Low209 Ų209108.6 Ų108.679%0.78954%0.535SS*.THydrogen-bonded Turntrans-68.7-20.4-179.5-78.3-179.8167.3176.1-1.7115.5E295 M297E295-R299 PolarHBondContact O-N 3.5Å; M297-R299 VanDerWaalsContact C-N 3.31Å; M297-R299 PolarHBondContact O-N 3.01Å
300N54.4Low63.8Low87 Ų87115.2 Ų115.247%0.46556%0.563SS.*THydrogen-bonded Turntrans-105.3-0.4-175.7-72.7-22.4000113.6R266 M297 G298R266-N300 PolarHBondContact NH2-ND2 2.64Å; M297-N300 PolarHBondContact O-N 2.92Å; G298-N300 VanDerWaalsContact C-N 3.3Å; G298-N300 PolarHBondContact O-N 3Å
301M53.8Low62.1Low56 Ų56123.2 Ų123.228%0.27660%0.598SS.*SBendtrans-88.8-11.7-178.2-85.4-76.8161.300113.8S269 E270S269-M301 WeakPolarHBondContact OG-CE 3.37Å; E270-M301 HydrophobicContact CB-CE 4.33Å; E270-M301 HydrophobicContact CG-CE 3.5Å; E270-M301 VanDerWaalsContact CG-CE 3.5Å
302D54.2Low60.8Low135 Ų135123.4 Ų123.472%0.72260%0.596SS**SBendtrans-85.8-9.9-175.4-65.2-22.1000113.3
303D52.1Low60.1Low147 Ų147123.8 Ų123.879%0.78661%0.607SS**SBendtrans-1044.1-170.4-89.4-9000115.5E305D303-E305 PolarHBondContact O-N 3.43Å
304Y54.8Low59.6Low201 Ų201126.7 Ų126.779%0.78862%0.619SS**  trans-103.380.5-175.3-129.6-88.6000113
305E52.2Low59.5Low179 Ų179124.6 Ų124.684%0.83661%0.611SS**  trans-74.6117.3159.9-75-159.9156.800110.7D303 F307D303-E305 PolarHBondContact O-N 3.43Å; E305-F307 PolarHBondContact O-N 2.68Å
306D56.1Low59.9Low146 Ų146122.9 Ų122.978%0.78161%0.609SS**SBendtrans26.855.2143.9-104.3-0.3000119.8
307F51.4Low60.4Low175 Ų175122.4 Ų122.477%0.76861%0.609SS**  trans-125.5127.9162-88.6-91000113.4E305E305-F307 PolarHBondContact O-N 2.68Å
308D52.4Low61.1Low113 Ų113129.9 Ų129.960%0.60464%0.641SS**  trans81100.3176.2-86.2-3.4000118.5K310D308-K310 HydrophobicContact CB-CG 4.43Å; D308-K310 PolarHBondContact O-N 2.75Å; D308-K310 IonicContact OD2-NZ 3.97Å; D308-K310 PolarHBondContact OD2-NZ 3.07Å
309D50.9Low62.3Low162 Ų162130.2 Ų130.287%0.86664%0.636SS**  trans-71.241.9163.7-131.66.3000111.6Q311D309-Q311 PolarHBondContact O-N 3.07Å
310K52.5Low63.7Low147 Ų147120.3 Ų120.364%0.63960%0.599SS**  trans-76.492.3172-84.2178.6-177.91250108.2D308 N312D308-K310 HydrophobicContact CB-CG 4.43Å; D308-K310 PolarHBondContact O-N 2.75Å; D308-K310 IonicContact OD2-NZ 3.97Å; D308-K310 PolarHBondContact OD2-NZ 3.07Å; K310-N312 PolarHBondContact O-N 3.26Å; K310-N312 PolarHBondContact O-OD1 3.02Å
311Q50.6Low65.3Low195 Ų195118 Ų11891%0.91159%0.588SS**  trans12.962.5153.2-149.4145.917.500115.4D309 S313D309-Q311 PolarHBondContact O-N 3.07Å; Q311-S313 PolarHBondContact O-N 3.26Å
312N56.6Low67Low89 Ų89121.9 Ų121.948%0.47660%0.604SS.*  trans-69.2110179-87.7-24.5000106.6K310 Y314K310-N312 PolarHBondContact O-N 3.26Å; K310-N312 PolarHBondContact O-OD1 3.02Å; N312-Y314 VanDerWaalsContact C-N 3.34Å; N312-Y314 WeakPolarHBondContact O-CD2 3.33Å; N312-Y314 PolarHBondContact O-N 3.23Å
313S65.5Low68.7Low117 Ų117115.9 Ų115.982%0.81857%0.571SS**  trans-63.598.9171.9-175.60000107.6Q311Q311-S313 PolarHBondContact O-N 3.26Å
314Y72Confident70.6Confident111 Ų111109.3 Ų109.344%0.43554%0.536SS..PPolyproline II helixtrans-61.3130.1-178.2-67.1-74.7000109.7N312 T316N312-Y314 VanDerWaalsContact C-N 3.34Å; N312-Y314 WeakPolarHBondContact O-CD2 3.33Å; N312-Y314 PolarHBondContact O-N 3.23Å; Y314-T316 PolarHBondContact O-N 2.98Å
315P79.1Confident72.2Confident25 Ų25102.6 Ų102.616%0.16251%0.511CS..PPolyproline II helixtrans-65138.4179.122.8-29.4000110.4V268 I272 L278V268-P315 HydrophobicContact CG1-CG 4.02Å; I272-P315 HydrophobicContact CD1-CG 3.6Å; I272-P315 HydrophobicContact CG1-CG 4.21Å; L278-P315 WeakPolarHBondContact CD1-O 3.45Å
316T84.9Confident74Confident88 Ų8897.4 Ų97.454%0.5449%0.487SS..PPolyproline II helixtrans-65.5156.2177.364.90000112.3Y314 K318 S319 L320Y314-T316 PolarHBondContact O-N 2.98Å; T316-K318 PolarHBondContact O-N 2.96Å; T316-S319 PolarHBondContact N-OG 2.93Å; T316-S319 VanDerWaalsContact N-OG 3.08Å; T316-S319 PolarHBondContact O-N 3Å; T316-S319 VanDerWaalsContact O-N 3.12Å; T316-S319 PolarHBondContact O-OG 3.24Å; T316-S319 PolarHBondContact OG1-N 2.96Å; T316-S319 VanDerWaalsContact OG1-N 3.16Å; T316-S319 PolarHBondContact OG1-OG 3.33Å; T316-L320 PolarHBondContact O-N 3.15Å; T316-L320 VanDerWaalsContact O-N 3.07Å
317E83.8Confident75.7Confident124 Ų12490.5 Ų90.558%0.57945%0.449SS*.Hα-helixtrans-57.3-35.3173.4-170.2-175.5171.900112.1L278 L320 V321L278-E317 HydrophobicContact CD2-CB 4.35Å; L278-E317 HydrophobicContact CD2-CG 4.49Å; E317-L320 WeakPolarHBondContact O-CB 3.09Å; E317-L320 PolarHBondContact O-N 3.33Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.29Å
318K85.3Confident77.4Confident179 Ų17984.9 Ų84.978%0.77843%0.427SS*.Hα-helixtrans-65-40.2176.9-68.5-176.8-178.2176.20112.5T316 V321 K322T316-K318 PolarHBondContact O-N 2.96Å; K318-V321 PolarHBondContact O-N 3.11Å; K318-K322 PolarHBondContact O-N 3.2Å
319S86.6Confident79.1Confident49 Ų4983.3 Ų83.334%0.34341%0.413SS..Hα-helixtrans-69.2-36.7176.254.60000111.4T316 K322 L323T316-S319 PolarHBondContact N-OG 2.93Å; T316-S319 VanDerWaalsContact N-OG 3.08Å; T316-S319 PolarHBondContact O-N 3Å; T316-S319 VanDerWaalsContact O-N 3.12Å; T316-S319 PolarHBondContact O-OG 3.24Å; T316-S319 PolarHBondContact OG1-N 2.96Å; T316-S319 VanDerWaalsContact OG1-N 3.16Å; T316-S319 PolarHBondContact OG1-OG 3.33Å; S319-K322 PolarHBondContact O-N 3.37Å; S319-L323 WeakPolarHBondContact O-CB 2.86Å; S319-L323 PolarHBondContact O-N 3.03Å
320L88Confident81Confident1 Ų175.7 Ų75.71%0.00537%0.373CS..Hα-helixtrans-62.3-40.4171.6-82146.7000112.7F149 V268 I272 L278 I282 I285 T316 E317 K322 L323 H324F149-L320 HydrophobicContact CE2-CB 4.07Å; F149-L320 HydrophobicContact CZ-CB 4.23Å; V268-L320 HydrophobicContact CG1-CD2 4.13Å; I272-L320 HydrophobicContact CD1-CD1 4.42Å; L278-L320 HydrophobicContact CB-CD1 3.99Å; L278-L320 HydrophobicContact CD1-CD1 3.69Å; L278-L320 HydrophobicContact CD2-CD1 4.05Å; L278-L320 HydrophobicContact CG-CD1 4.12Å; I282-L320 HydrophobicContact CD1-CD2 4.38Å; I282-L320 HydrophobicContact CG1-CD2 3.65Å; I285-L320 HydrophobicContact CD1-CD2 3.99Å; T316-L320 PolarHBondContact O-N 3.15Å; T316-L320 VanDerWaalsContact O-N 3.07Å; E317-L320 WeakPolarHBondContact O-CB 3.09Å; E317-L320 PolarHBondContact O-N 3.33Å; L320-K322 VanDerWaalsContact C-N 3.34Å; L320-L323 PolarHBondContact O-N 3.33Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 2.87Å; L320-H324 PolarHBondContact O-N 2.87Å
321V88.2Confident82.7Confident39 Ų3969.7 Ų69.724%0.23635%0.348CS..Hα-helixtrans-64.1-39.8174.1167.30000111.3F149 E317 K318 K325F149-V321 HydrophobicContact CD2-CG2 3.87Å; F149-V321 HydrophobicContact CE2-CG2 3.67Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.29Å; K318-V321 PolarHBondContact O-N 3.11Å; V321-K325 WeakPolarHBondContact O-CB 3.48Å; V321-K325 PolarHBondContact O-N 3.24Å
322K89.3Confident84.4Confident138 Ų13862.9 Ų62.960%0.632%0.316SS*.Hα-helixtrans-65.5-45.8175.8-171.2-176.6175.9-171.80111.3K318 S319 L320 K325 Q326K318-K322 PolarHBondContact O-N 3.2Å; S319-K322 PolarHBondContact O-N 3.37Å; L320-K322 VanDerWaalsContact C-N 3.34Å; K322-K325 WeakPolarHBondContact O-CB 3.17Å; K322-K325 PolarHBondContact O-N 3.24Å; K322-Q326 WeakPolarHBondContact O-CG 3.45Å; K322-Q326 PolarHBondContact O-N 3.5Å; K322-Q326 PolarHBondContact O-OE1 3.46Å
323L91.1Very high85.8Confident9 Ų961.9 Ų61.95%0.04731%0.306CS..Hα-helixtrans-61.6-46177.1-176.162.9000111.4E264 V265 V268 I285 S319 L320 K325 Q326 V327E264-L323 HydrophobicContact CB-CD1 3.95Å; V265-L323 HydrophobicContact CG2-CD1 4.1Å; V265-L323 HydrophobicContact CG2-CD2 4.17Å; V265-L323 HydrophobicContact CG2-CG 4.15Å; V268-L323 HydrophobicContact CB-CD2 4.11Å; V268-L323 HydrophobicContact CG1-CD2 4.19Å; V268-L323 HydrophobicContact CG2-CD2 3.98Å; I285-L323 HydrophobicContact CD1-CD2 4.4Å; S319-L323 WeakPolarHBondContact O-CB 2.86Å; S319-L323 PolarHBondContact O-N 3.03Å; L320-L323 PolarHBondContact O-N 3.33Å; L323-K325 VanDerWaalsContact C-N 3.28Å; L323-K325 PolarHBondContact O-N 3.33Å; L323-Q326 WeakPolarHBondContact O-CB 3.45Å; L323-Q326 PolarHBondContact O-N 2.88Å; L323-Q326 VanDerWaalsContact O-N 3.09Å; L323-V327 WeakPolarHBondContact O-CG2 3.21Å; L323-V327 PolarHBondContact O-N 3.29Å
324H90.4Very high86.9Confident8 Ų857.8 Ų57.84%0.03727%0.274CS..Hα-helixtrans-58-42.1175.7-176.3-155000111.9G147 F149 I285 L320 V327 I328G147-H324 PolarHBondContact O-ND1 3.5Å; F149-H324 AromaticContact CD1-ND1 3.75Å; F149-H324 HydrophobicContact CE1-CB 3.97Å; F149-H324 AromaticContact CE1-CE1 3.99Å; F149-H324 AromaticContact CE1-CG 3.75Å; F149-H324 AromaticContact CE1-ND1 3.38Å; F149-H324 WeakPolarHBondContact CE1-ND1 3.26Å; F149-H324 HydrophobicContact CZ-CB 3.82Å; F149-H324 AromaticContact CZ-ND1 3.96Å; I285-H324 HydrophobicContact CD1-CB 4.01Å; I285-H324 HydrophobicContact CG1-CB 3.75Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 2.87Å; L320-H324 PolarHBondContact O-N 2.87Å; H324-V327 PolarHBondContact O-N 2.98Å; H324-I328 VanDerWaalsContact O-CG1 3.3Å; H324-I328 WeakPolarHBondContact O-CG1 3.03Å; H324-I328 PolarHBondContact O-N 2.89Å; H324-I328 VanDerWaalsContact O-N 3.12Å
325K88.3Confident87.6Confident61 Ų6154.5 Ų54.527%0.26526%0.264SS..Hα-helixtrans-61.4-46.4173.8-175.5177.6179.41780111.3R145 V321 K322 L323 I328 Y329R145-K325 WeakPolarHBondContact O-CE 3.45Å; V321-K325 WeakPolarHBondContact O-CB 3.48Å; V321-K325 PolarHBondContact O-N 3.24Å; K322-K325 WeakPolarHBondContact O-CB 3.17Å; K322-K325 PolarHBondContact O-N 3.24Å; L323-K325 VanDerWaalsContact C-N 3.28Å; L323-K325 PolarHBondContact O-N 3.33Å; K325-I328 PolarHBondContact O-N 3.31Å; K325-Y329 HydrophobicContact CD-CE2 4.37Å; K325-Y329 HydrophobicContact CG-CD2 3.87Å; K325-Y329 HydrophobicContact CG-CE2 3.71Å; K325-Y329 WeakPolarHBondContact O-CD2 3.42Å; K325-Y329 PolarHBondContact O-N 2.77Å; K325-Y329 VanDerWaalsContact O-N 3.17Å
326Q91.3Very high87.9Confident70 Ų7055 Ų5533%0.32726%0.262SS..Hα-helixtrans-60.4-45178-74.8166.3-61.600112.1V261 K322 L323 I328 Y329 A330V261-Q326 HydrophobicContact CG1-CB 4.32Å; V261-Q326 HydrophobicContact CG2-CB 4.49Å; K322-Q326 WeakPolarHBondContact O-CG 3.45Å; K322-Q326 PolarHBondContact O-N 3.5Å; K322-Q326 PolarHBondContact O-OE1 3.46Å; L323-Q326 WeakPolarHBondContact O-CB 3.45Å; L323-Q326 PolarHBondContact O-N 2.88Å; L323-Q326 VanDerWaalsContact O-N 3.09Å; Q326-I328 PolarHBondContact O-N 3.34Å; Q326-Y329 PolarHBondContact O-N 3.48Å; Q326-A330 WeakPolarHBondContact O-CB 3.42Å; Q326-A330 PolarHBondContact O-N 3.31Å
327V91.8Very high88.1Confident0 Ų050.8 Ų50.80%024%0.237CC..Hα-helixtrans-58.9-47.2177.3170.40000111.6V261 M262 V265 I285 K288 L323 H324 Y329 A330 V331V261-V327 HydrophobicContact CG1-CB 4.35Å; V261-V327 HydrophobicContact CG1-CG2 3.54Å; M262-V327 HydrophobicContact CE-CG1 4.02Å; M262-V327 HydrophobicContact CE-CG2 4.05Å; V265-V327 HydrophobicContact CG2-CG2 3.4Å; I285-V327 HydrophobicContact CG2-CB 4.32Å; I285-V327 HydrophobicContact CG2-CG1 4.31Å; I285-V327 HydrophobicContact CG2-CG2 3.84Å; K288-V327 HydrophobicContact CB-CG1 4.17Å; L323-V327 WeakPolarHBondContact O-CG2 3.21Å; L323-V327 PolarHBondContact O-N 3.29Å; H324-V327 PolarHBondContact O-N 2.98Å; V327-Y329 VanDerWaalsContact C-N 3.29Å; V327-Y329 PolarHBondContact O-N 3.49Å; V327-A330 PolarHBondContact O-N 3.45Å; V327-V331 HydrophobicContact CG1-CG2 4.22Å; V327-V331 WeakPolarHBondContact O-CB 3.2Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.18Å; V327-V331 PolarHBondContact O-N 3.09Å
328I87.7Confident88.4Confident58 Ų5849.2 Ų49.230%0.29723%0.225SC..Hα-helixtrans-57.1-46.7177.7-68.2164.9000110.3H324 K325 Q326 Q332H324-I328 VanDerWaalsContact O-CG1 3.3Å; H324-I328 WeakPolarHBondContact O-CG1 3.03Å; H324-I328 PolarHBondContact O-N 2.89Å; H324-I328 VanDerWaalsContact O-N 3.12Å; K325-I328 PolarHBondContact O-N 3.31Å; Q326-I328 PolarHBondContact O-N 3.34Å; I328-Q332 WeakPolarHBondContact O-CB 2.93Å; I328-Q332 PolarHBondContact O-N 3.45Å; I328-Q332 VanDerWaalsContact O-N 3.09Å
329Y86.8Confident88.5Confident80 Ų8041.6 Ų41.631%0.31419%0.194SC..Hα-helixtrans-66.2-45.7-179.7-83.7-62.6000113.3R145 K325 Q326 V327 Q332 R333R145-Y329 WeakPolarHBondContact CD-OH 3.23Å; R145-Y329 HydrophobicContact CG-CE2 4.19Å; R145-Y329 WeakPolarHBondContact CG-OH 3.47Å; K325-Y329 HydrophobicContact CD-CE2 4.37Å; K325-Y329 HydrophobicContact CG-CD2 3.87Å; K325-Y329 HydrophobicContact CG-CE2 3.71Å; K325-Y329 WeakPolarHBondContact O-CD2 3.42Å; K325-Y329 PolarHBondContact O-N 2.77Å; K325-Y329 VanDerWaalsContact O-N 3.17Å; Q326-Y329 PolarHBondContact O-N 3.48Å; V327-Y329 VanDerWaalsContact C-N 3.29Å; V327-Y329 PolarHBondContact O-N 3.49Å; Y329-Q332 PolarHBondContact O-N 3.16Å; Y329-R333 WeakPolarHBondContact O-CB 3.28Å; Y329-R333 PolarHBondContact O-N 2.64Å
330A90.3Very high88.5Confident2 Ų240.3 Ų40.32%0.01718%0.183CC..Hα-helixtrans-63.3-49.2-179.200000111.3L258 V261 Q326 V327 Q332 R333 H334L258-A330 HydrophobicContact CD1-CB 3.96Å; V261-A330 HydrophobicContact CB-CB 4.36Å; V261-A330 HydrophobicContact CG2-CB 4.3Å; Q326-A330 WeakPolarHBondContact O-CB 3.42Å; Q326-A330 PolarHBondContact O-N 3.31Å; V327-A330 PolarHBondContact O-N 3.45Å; A330-Q332 VanDerWaalsContact C-N 3.31Å; A330-Q332 PolarHBondContact O-N 2.88Å; A330-R333 PolarHBondContact O-N 3.46Å; A330-H334 WeakPolarHBondContact O-CB 3.27Å; A330-H334 PolarHBondContact O-N 3.35Å
331V89.6Confident88.6Confident20 Ų2041.1 Ų41.112%0.12119%0.185CC..Hα-helixtrans-61.6-40.6179171.90000111.5L258 P290 V327 N335L258-V331 HydrophobicContact CD1-CG2 3.75Å; P290-V331 HydrophobicContact CG-CG2 4.3Å; V327-V331 HydrophobicContact CG1-CG2 4.22Å; V327-V331 WeakPolarHBondContact O-CB 3.2Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.18Å; V327-V331 PolarHBondContact O-N 3.09Å; V331-N335 WeakPolarHBondContact O-CB 3.36Å; V331-N335 PolarHBondContact O-N 2.87Å; V331-N335 PolarHBondContact O-ND2 3.45Å
332Q85.3Confident88.7Confident52 Ų5243.2 Ų43.224%0.24319%0.193CC..Hα-helixtrans-68.7-43.5178.1-175.2171.817.100112I328 Y329 A330 N335 R336 D484I328-Q332 WeakPolarHBondContact O-CB 2.93Å; I328-Q332 PolarHBondContact O-N 3.45Å; I328-Q332 VanDerWaalsContact O-N 3.09Å; Y329-Q332 PolarHBondContact O-N 3.16Å; A330-Q332 VanDerWaalsContact C-N 3.31Å; A330-Q332 PolarHBondContact O-N 2.88Å; Q332-N335 PolarHBondContact O-N 2.96Å; Q332-R336 VanDerWaalsContact O-CB 3.31Å; Q332-R336 WeakPolarHBondContact O-CB 3.33Å; Q332-R336 PolarHBondContact O-N 3.47Å; Q332-D484 PolarHBondContact NE2-OD1 3.01Å; Q332-D484 PolarHBondContact OE1-OD1 2.98Å
333R85.9Confident88.6Confident68 Ų6838.8 Ų38.826%0.25718%0.175SC..Hα-helixtrans-64.4-43.5179.3-173.9157.2177.5105.910.6111.4E250 A254 Y329 A330 R336 T337E250-R333 IonicContact OE2-NH2 2.81Å; A254-R333 HydrophobicContact CB-CG 3.98Å; Y329-R333 WeakPolarHBondContact O-CB 3.28Å; Y329-R333 PolarHBondContact O-N 2.64Å; A330-R333 PolarHBondContact O-N 3.46Å; R333-R336 PolarHBondContact O-N 3.44Å; R333-T337 WeakPolarHBondContact O-CG2 3.31Å; R333-T337 PolarHBondContact O-N 3.33Å; R333-T337 PolarHBondContact O-OG1 2.81Å; R333-T337 VanDerWaalsContact O-OG1 3.13Å
334H90.1Very high88.6Confident31 Ų3139.2 Ų39.214%0.14418%0.177CC..Hα-helixtrans-59.6-50174.2172.476.4000112.4E255 L258 A330 R336 T337 R338E255-H334 VanDerWaalsContact CG-ND1 3.29Å; E255-H334 WeakPolarHBondContact CG-ND1 3.49Å; E255-H334 IonicContact OE1-CE1 2.75Å; L258-H334 HydrophobicContact CB-CB 4.46Å; L258-H334 HydrophobicContact CD2-CB 3.75Å; A330-H334 WeakPolarHBondContact O-CB 3.27Å; A330-H334 PolarHBondContact O-N 3.35Å; H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.19Å; H334-T337 PolarHBondContact O-N 3.29Å; H334-T337 PolarHBondContact O-OG1 3.11Å; H334-T337 VanDerWaalsContact O-OG1 3.07Å; H334-R338 VanDerWaalsContact O-CB 3.23Å; H334-R338 WeakPolarHBondContact O-CB 3.14Å; H334-R338 PolarHBondContact O-N 3.23Å
335N86.8Confident88.6Confident42 Ų4239 Ų3923%0.22518%0.176CC..Hα-helixtrans-61-39.2178.5-82.2-54.8000112.3V331 Q332 R338 V339V331-N335 WeakPolarHBondContact O-CB 3.36Å; V331-N335 PolarHBondContact O-N 2.87Å; V331-N335 PolarHBondContact O-ND2 3.45Å; Q332-N335 PolarHBondContact O-N 2.96Å; N335-R338 PolarHBondContact OD1-NH2 3.3Å; N335-R338 VanDerWaalsContact OD1-NH2 3.15Å; N335-V339 WeakPolarHBondContact O-CG2 3.34Å; N335-V339 PolarHBondContact O-N 3.01Å
336R84.9Confident88.7Confident35 Ų3541.6 Ų41.613%0.13219%0.19CC..Hα-helixtrans-64.1-53.5178.2-173.6-172.470.6179.11.9111.5Q332 R333 H334 R338 V339 Q340 A478 Q482Q332-R336 VanDerWaalsContact O-CB 3.31Å; Q332-R336 WeakPolarHBondContact O-CB 3.33Å; Q332-R336 PolarHBondContact O-N 3.47Å; R333-R336 PolarHBondContact O-N 3.44Å; H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.19Å; R336-R338 VanDerWaalsContact C-N 3.26Å; R336-R338 PolarHBondContact O-N 3.44Å; R336-V339 PolarHBondContact O-N 2.85Å; R336-Q340 HydrophobicContact CG-CG 4.45Å; R336-Q340 WeakPolarHBondContact O-CB 3.31Å; R336-Q340 VanDerWaalsContact O-CG 3.26Å; R336-Q340 WeakPolarHBondContact O-CG 3.47Å; R336-Q340 PolarHBondContact O-N 3.32Å; R336-Q340 PolarHBondContact O-OE1 3Å; R336-A478 HydrophobicContact CG-CB 4.2Å; R336-Q482 HydrophobicContact CG-CB 4.19Å
337T88.8Confident88.6Confident0 Ų042.1 Ų42.10%019%0.192CC..Hα-helixtrans-62-37.1-179.653.20000111.1A254 R333 H334 Q340 W341A254-T337 HydrophobicContact CB-CG2 4.13Å; R333-T337 WeakPolarHBondContact O-CG2 3.31Å; R333-T337 PolarHBondContact O-N 3.33Å; R333-T337 PolarHBondContact O-OG1 2.81Å; R333-T337 VanDerWaalsContact O-OG1 3.13Å; H334-T337 PolarHBondContact O-N 3.29Å; H334-T337 PolarHBondContact O-OG1 3.11Å; H334-T337 VanDerWaalsContact O-OG1 3.07Å; T337-Q340 PolarHBondContact O-N 3.48Å; T337-W341 VanDerWaalsContact O-CB 3.31Å; T337-W341 WeakPolarHBondContact O-CB 3.26Å; T337-W341 PolarHBondContact O-N 3.42Å
338R89.2Confident88.6Confident91 Ų9142.1 Ų42.134%0.34319%0.192SC..Hα-helixtrans-61.5-47.3173.9-173.1177.764.880.9-0113.2H334 N335 R336 W341 Q342H334-R338 VanDerWaalsContact O-CB 3.23Å; H334-R338 WeakPolarHBondContact O-CB 3.14Å; H334-R338 PolarHBondContact O-N 3.23Å; N335-R338 PolarHBondContact OD1-NH2 3.3Å; N335-R338 VanDerWaalsContact OD1-NH2 3.15Å; R336-R338 VanDerWaalsContact C-N 3.26Å; R336-R338 PolarHBondContact O-N 3.44Å; R338-W341 WeakPolarHBondContact O-CB 3.36Å; R338-W341 PolarHBondContact O-N 2.98Å; R338-Q342 WeakPolarHBondContact O-CG 3.26Å; R338-Q342 PolarHBondContact O-N 3.23Å; R338-Q342 VanDerWaalsContact O-N 3.14Å
339V87.3Confident88.7Confident20 Ų2039.9 Ų39.912%0.12118%0.181CC..Hα-helixtrans-68-41.5178.1170.20000111.1N335 R336 W341 Q342 I343 H480 Q482N335-V339 WeakPolarHBondContact O-CG2 3.34Å; N335-V339 PolarHBondContact O-N 3.01Å; R336-V339 PolarHBondContact O-N 2.85Å; V339-W341 VanDerWaalsContact C-N 3.29Å; V339-W341 PolarHBondContact O-N 2.93Å; V339-Q342 WeakPolarHBondContact O-CB 3.41Å; V339-Q342 PolarHBondContact O-N 3.1Å; V339-Q342 VanDerWaalsContact O-N 3.16Å; V339-I343 HydrophobicContact CG1-CD1 3.8Å; V339-I343 HydrophobicContact CG1-CG1 4.47Å; V339-I343 WeakPolarHBondContact O-CG1 3.4Å; V339-I343 PolarHBondContact O-N 2.94Å; V339-H480 HydrophobicContact CG1-CB 4.35Å; V339-Q482 HydrophobicContact CB-CG 3.86Å; V339-Q482 HydrophobicContact CG1-CG 3.71Å; V339-Q482 HydrophobicContact CG2-CG 4.1Å
340Q87.4Confident88.9Confident22 Ų2238.7 Ų38.710%0.10318%0.178CC..Hα-helixtrans-59.9-42.1175.2-71.8175-56.300111.6L247 R336 T337 Q342 I343 L344 Y476L247-Q340 HydrophobicContact CD1-CB 4.13Å; L247-Q340 HydrophobicContact CD2-CB 3.85Å; R336-Q340 HydrophobicContact CG-CG 4.45Å; R336-Q340 WeakPolarHBondContact O-CB 3.31Å; R336-Q340 VanDerWaalsContact O-CG 3.26Å; R336-Q340 WeakPolarHBondContact O-CG 3.47Å; R336-Q340 PolarHBondContact O-N 3.32Å; R336-Q340 PolarHBondContact O-OE1 3Å; T337-Q340 PolarHBondContact O-N 3.48Å; Q340-Q342 VanDerWaalsContact C-N 3.3Å; Q340-Q342 PolarHBondContact O-N 3.4Å; Q340-I343 PolarHBondContact O-N 3.47Å; Q340-L344 WeakPolarHBondContact O-CB 3.41Å; Q340-L344 PolarHBondContact O-N 3.44Å; Q340-Y476 VanDerWaalsContact NE2-CZ 3.34Å; Q340-Y476 PolarHBondContact NE2-OH 3.27Å
341W91Very high88.8Confident17 Ų1739.3 Ų39.36%0.06418%0.181CC..Hα-helixtrans-58.7-44.3175.6177-108.3000111.2A244 L247 M248 K251 T337 R338 V339 L344 L345 L592 E596A244-W341 HydrophobicContact CB-CH2 4.44Å; A244-W341 HydrophobicContact CB-CZ3 4.07Å; A244-W341 WeakPolarHBondContact O-CZ3 3.26Å; L247-W341 HydrophobicContact CD2-CB 4.48Å; L247-W341 HydrophobicContact CD2-CE3 4.38Å; L247-W341 HydrophobicContact CG-CE3 4.43Å; M248-W341 HydrophobicContact CB-CE3 4.49Å; M248-W341 HydrophobicContact CB-CH2 4.19Å; M248-W341 HydrophobicContact CB-CZ3 3.87Å; M248-W341 HydrophobicContact CG-CH2 4.35Å; M248-W341 HydrophobicContact CG-CZ3 4.45Å; K251-W341 HydrophobicContact CD-CB 4.18Å; K251-W341 HydrophobicContact CD-CG 4.15Å; T337-W341 VanDerWaalsContact O-CB 3.31Å; T337-W341 WeakPolarHBondContact O-CB 3.26Å; T337-W341 PolarHBondContact O-N 3.42Å; R338-W341 WeakPolarHBondContact O-CB 3.36Å; R338-W341 PolarHBondContact O-N 2.98Å; V339-W341 VanDerWaalsContact C-N 3.29Å; V339-W341 PolarHBondContact O-N 2.93Å; W341-L344 PolarHBondContact O-N 3.38Å; W341-L345 WeakPolarHBondContact O-CB 3.44Å; W341-L345 PolarHBondContact O-N 2.72Å; W341-L592 HydrophobicContact CH2-CB 4.32Å; W341-E596 HydrophobicContact CZ2-CG 3.9Å
342Q89.6Confident88.9Confident83 Ų8339.2 Ų39.239%0.38818%0.179SC..Hα-helixtrans-62.9-44.3178.1-71.8179.5-28.800112.7R338 V339 Q340 L345 Q346R338-Q342 WeakPolarHBondContact O-CG 3.26Å; R338-Q342 PolarHBondContact O-N 3.23Å; R338-Q342 VanDerWaalsContact O-N 3.14Å; V339-Q342 WeakPolarHBondContact O-CB 3.41Å; V339-Q342 PolarHBondContact O-N 3.1Å; V339-Q342 VanDerWaalsContact O-N 3.16Å; Q340-Q342 VanDerWaalsContact C-N 3.3Å; Q340-Q342 PolarHBondContact O-N 3.4Å; Q342-L345 PolarHBondContact O-N 2.88Å; Q342-Q346 WeakPolarHBondContact O-CG 3.22Å; Q342-Q346 PolarHBondContact O-N 3.46Å
343I87.9Confident89.1Confident45 Ų4537 Ų3723%0.23117%0.169CC..Hα-helixtrans-63.8-47177.8-65.9159.7000110.4V339 Q340 L345 Q346 Q347 H480V339-I343 HydrophobicContact CG1-CD1 3.8Å; V339-I343 HydrophobicContact CG1-CG1 4.47Å; V339-I343 WeakPolarHBondContact O-CG1 3.4Å; V339-I343 PolarHBondContact O-N 2.94Å; Q340-I343 PolarHBondContact O-N 3.47Å; I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 2.74Å; I343-Q346 PolarHBondContact O-N 3.27Å; I343-Q347 WeakPolarHBondContact O-CB 3.23Å; I343-Q347 PolarHBondContact O-N 3.23Å; I343-H480 HydrophobicContact CD1-CB 4.35Å; I343-H480 WeakPolarHBondContact CD1-CD2 3.49Å
344L90.2Very high89.2Confident18 Ų1833.9 Ų33.99%0.09416%0.158CC..Hα-helixtrans-64.4-39.2-179.6-171.667.9000111.4T240 K243 A244 L247 Q340 W341 Q347 A348T240-L344 HydrophobicContact CG2-CD1 3.79Å; T240-L344 HydrophobicContact CG2-CG 4.31Å; K243-L344 HydrophobicContact CB-CD1 4.3Å; K243-L344 HydrophobicContact CB-CD2 4.08Å; A244-L344 HydrophobicContact CB-CD2 4.02Å; L247-L344 HydrophobicContact CB-CD2 4.21Å; L247-L344 HydrophobicContact CD2-CB 4.13Å; L247-L344 HydrophobicContact CD2-CD2 3.67Å; Q340-L344 WeakPolarHBondContact O-CB 3.41Å; Q340-L344 PolarHBondContact O-N 3.44Å; W341-L344 PolarHBondContact O-N 3.38Å; L344-Q347 PolarHBondContact O-N 2.96Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.44Å
345L91.6Very high89.1Confident3 Ų334.1 Ų34.12%0.01617%0.165CC..Hα-helixtrans-65.4-40.7175.6-178.356.5000111.8W341 Q342 I343 A348 V349 I593 E596W341-L345 WeakPolarHBondContact O-CB 3.44Å; W341-L345 PolarHBondContact O-N 2.72Å; Q342-L345 PolarHBondContact O-N 2.88Å; I343-L345 VanDerWaalsContact C-N 3.31Å; I343-L345 PolarHBondContact O-N 2.74Å; L345-A348 PolarHBondContact O-N 3.16Å; L345-V349 HydrophobicContact CD1-CG2 4.42Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.49Å; L345-I593 HydrophobicContact CD1-CB 4.42Å; L345-I593 HydrophobicContact CD1-CG1 4.05Å; L345-I593 HydrophobicContact CD1-CG2 4.12Å; L345-E596 HydrophobicContact CD1-CB 4.12Å; L345-E596 HydrophobicContact CD2-CB 3.75Å; L345-E596 HydrophobicContact CD2-CG 4.21Å
346Q89.2Confident89.2Confident117 Ų11737.2 Ų37.255%0.54718%0.177SC..Hα-helixtrans-62.7-43.8172.6-76.3174.2-18.600111.7Q342 I343 A348 V349 H350Q342-Q346 WeakPolarHBondContact O-CG 3.22Å; Q342-Q346 PolarHBondContact O-N 3.46Å; I343-Q346 PolarHBondContact O-N 3.27Å; Q346-A348 PolarHBondContact O-N 2.89Å; Q346-V349 PolarHBondContact O-N 3.18Å; Q346-H350 WeakPolarHBondContact O-CB 3.47Å; Q346-H350 PolarHBondContact O-N 2.79Å
347Q89.7Confident89.3Confident81 Ų8136 Ų3638%0.37917%0.173SC..Hα-helixtrans-61.7-43.7176.3-177.4178.7-9.400111.6I343 L344 H350 L351I343-Q347 WeakPolarHBondContact O-CB 3.23Å; I343-Q347 PolarHBondContact O-N 3.23Å; L344-Q347 PolarHBondContact O-N 2.96Å; Q347-H350 PolarHBondContact O-N 3.35Å; Q347-L351 HydrophobicContact CG-CD1 4.06Å; Q347-L351 WeakPolarHBondContact O-CB 3.26Å; Q347-L351 VanDerWaalsContact O-CG 3.26Å; Q347-L351 WeakPolarHBondContact O-CG 3.14Å; Q347-L351 PolarHBondContact O-N 3.25Å
348A91.6Very high89.1Confident0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-61.9-47.9177.900000111.9T240 L344 L345 Q346 H350 L351 E352 I593T240-A348 HydrophobicContact CG2-CB 3.73Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.44Å; L345-A348 PolarHBondContact O-N 3.16Å; Q346-A348 PolarHBondContact O-N 2.89Å; A348-H350 VanDerWaalsContact C-N 3.35Å; A348-H350 PolarHBondContact O-N 3.33Å; A348-L351 PolarHBondContact O-N 2.79Å; A348-E352 WeakPolarHBondContact O-CG 3.39Å; A348-E352 PolarHBondContact O-N 3.17Å; A348-I593 HydrophobicContact CB-CD1 3.43Å; A348-I593 VanDerWaalsContact CB-CD1 3.43Å; A348-I593 HydrophobicContact CB-CG1 4.18Å; A348-I593 HydrophobicContact CB-CG2 4.2Å
349V90.6Very high88.9Confident10 Ų1041.7 Ų41.76%0.06121%0.211CC..Hα-helixtrans-59.9-45.3177.3167.30000111.2L345 Q346 L351 E352 D353 F369L345-V349 HydrophobicContact CD1-CG2 4.42Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.49Å; Q346-V349 PolarHBondContact O-N 3.18Å; V349-L351 VanDerWaalsContact C-N 3.35Å; V349-L351 PolarHBondContact O-N 3.21Å; V349-E352 WeakPolarHBondContact O-CB 3.37Å; V349-E352 PolarHBondContact O-N 3.29Å; V349-D353 VanDerWaalsContact O-CG 3.26Å; V349-D353 PolarHBondContact O-N 3.19Å; V349-F369 HydrophobicContact CG1-CD2 3.55Å; V349-F369 HydrophobicContact CG1-CE2 3.88Å; V349-F369 HydrophobicContact CG2-CE2 4.35Å
350H89.8Confident88.7Confident55 Ų5542.8 Ų42.826%0.25522%0.22SC..Hα-helixtrans-62.1-41.7177.4177.167.8000112.2Q346 Q347 A348 D353 V354 E392Q346-H350 WeakPolarHBondContact O-CB 3.47Å; Q346-H350 PolarHBondContact O-N 2.79Å; Q347-H350 PolarHBondContact O-N 3.35Å; A348-H350 VanDerWaalsContact C-N 3.35Å; A348-H350 PolarHBondContact O-N 3.33Å; H350-D353 PolarHBondContact O-N 2.7Å; H350-V354 WeakPolarHBondContact O-CG2 2.95Å; H350-V354 PolarHBondContact O-N 2.94Å; H350-E392 IonicContact NE2-OE2 3.16Å
351L89.3Confident88.3Confident16 Ų1649.8 Ų49.88%0.08426%0.257CS..Hα-helixtrans-67.7-35.4176.9-69.6171.3000112.7L236 L237 T240 Q347 A348 V349 D353 A355L236-L351 HydrophobicContact CD2-CD1 4.12Å; L236-L351 HydrophobicContact CD2-CD2 3.69Å; L236-L351 HydrophobicContact CG-CD1 3.83Å; L236-L351 HydrophobicContact CG-CD2 4.22Å; L237-L351 HydrophobicContact CD1-CB 3.75Å; T240-L351 WeakPolarHBondContact OG1-CD1 3.37Å; Q347-L351 HydrophobicContact CG-CD1 4.06Å; Q347-L351 WeakPolarHBondContact O-CB 3.26Å; Q347-L351 VanDerWaalsContact O-CG 3.26Å; Q347-L351 WeakPolarHBondContact O-CG 3.14Å; Q347-L351 PolarHBondContact O-N 3.25Å; A348-L351 PolarHBondContact O-N 2.79Å; V349-L351 VanDerWaalsContact C-N 3.35Å; V349-L351 PolarHBondContact O-N 3.21Å; L351-D353 VanDerWaalsContact C-N 3.31Å; L351-A355 WeakPolarHBondContact O-CB 3.2Å; L351-A355 PolarHBondContact O-N 3.4Å
352E90.8Very high87.5Confident18 Ų1851.9 Ų51.98%0.08428%0.275CS..Hα-helixtrans-62.7-39.5170.7-73.9-177.2176.400111.6L237 Y241 A348 V349 A355 K356 R597L237-E352 HydrophobicContact CD1-CG 4Å; Y241-E352 WeakPolarHBondContact OH-CG 3.34Å; Y241-E352 PolarHBondContact OH-OE1 3.25Å; A348-E352 WeakPolarHBondContact O-CG 3.39Å; A348-E352 PolarHBondContact O-N 3.17Å; V349-E352 WeakPolarHBondContact O-CB 3.37Å; V349-E352 PolarHBondContact O-N 3.29Å; E352-A355 PolarHBondContact O-N 3.19Å; E352-K356 WeakPolarHBondContact O-CG 3.4Å; E352-K356 PolarHBondContact O-N 2.84Å; E352-R597 IonicContact OE2-CZ 3.18Å; E352-R597 IonicContact OE2-NH1 2.94Å; E352-R597 PolarHBondContact OE2-NH1 3.26Å
353D89.3Confident87Confident5 Ų552.1 Ų52.13%0.02728%0.275CS..Hα-helixtrans-67.7-43.1178.3-69.2-10.3000111.5V349 H350 L351 A355 K356 N357 F365 S368V349-D353 VanDerWaalsContact O-CG 3.26Å; V349-D353 PolarHBondContact O-N 3.19Å; H350-D353 PolarHBondContact O-N 2.7Å; L351-D353 VanDerWaalsContact C-N 3.31Å; D353-A355 VanDerWaalsContact C-N 3.32Å; D353-A355 PolarHBondContact O-N 3.16Å; D353-K356 PolarHBondContact O-N 3.41Å; D353-N357 WeakPolarHBondContact O-CB 3.26Å; D353-N357 VanDerWaalsContact O-CG 3.29Å; D353-N357 PolarHBondContact O-N 2.93Å; D353-N357 PolarHBondContact O-ND2 3.02Å; D353-F365 HydrophobicContact CB-CZ 4.31Å; D353-S368 VanDerWaalsContact CG-OG 3.31Å; D353-S368 VanDerWaalsContact OD1-CB 3.23Å; D353-S368 WeakPolarHBondContact OD1-CB 3.33Å; D353-S368 PolarHBondContact OD1-OG 3.27Å; D353-S368 WeakPolarHBondContact OD2-CB 3.43Å; D353-S368 PolarHBondContact OD2-N 3.31Å; D353-S368 PolarHBondContact OD2-OG 3.39Å
354V88.2Confident86.7Confident2 Ų255 Ų551%0.01229%0.288CS..Hα-helixtrans-57.5-46.4172.3173.80000110.6H350 K356 N357 E358 F365 E392H350-V354 WeakPolarHBondContact O-CG2 2.95Å; H350-V354 PolarHBondContact O-N 2.94Å; V354-K356 VanDerWaalsContact C-N 3.34Å; V354-K356 PolarHBondContact O-N 2.85Å; V354-N357 PolarHBondContact O-N 3.35Å; V354-E358 WeakPolarHBondContact O-CB 3.43Å; V354-E358 PolarHBondContact O-N 2.87Å; V354-F365 HydrophobicContact CG2-CE2 3.86Å; V354-F365 HydrophobicContact CG2-CZ 3.99Å; V354-E392 HydrophobicContact CG2-CB 4.44Å
355A88.8Confident86.3Confident37 Ų3754.6 Ų54.631%0.30629%0.285SS..Hα-helixtrans-64.1-37179.900000112.8L351 E352 D353L351-A355 WeakPolarHBondContact O-CB 3.2Å; L351-A355 PolarHBondContact O-N 3.4Å; E352-A355 PolarHBondContact O-N 3.19Å; D353-A355 VanDerWaalsContact C-N 3.32Å; D353-A355 PolarHBondContact O-N 3.16Å
356K87.9Confident85.8Confident107 Ų10758.6 Ų58.647%0.46531%0.31SS..Hα-helixtrans-71.6-38.4175-72.5176.1-177.1-174.50112.7E352 D353 V354 E358 T359 S360E352-K356 WeakPolarHBondContact O-CG 3.4Å; E352-K356 PolarHBondContact O-N 2.84Å; D353-K356 PolarHBondContact O-N 3.41Å; V354-K356 VanDerWaalsContact C-N 3.34Å; V354-K356 PolarHBondContact O-N 2.85Å; K356-E358 VanDerWaalsContact C-N 3.34Å; K356-T359 PolarHBondContact O-N 3.28Å; K356-T359 PolarHBondContact O-OG1 3.44Å; K356-S360 PolarHBondContact O-N 2.88Å
357N86.7Confident85.3Confident10 Ų1056.2 Ų56.25%0.05330%0.299CS..Hα-helixtrans-74.2-26.6179.8-72.3-32.6000112.2D353 V354 T359 S360 F365 V366 W389D353-N357 WeakPolarHBondContact O-CB 3.26Å; D353-N357 VanDerWaalsContact O-CG 3.29Å; D353-N357 PolarHBondContact O-N 2.93Å; D353-N357 PolarHBondContact O-ND2 3.02Å; V354-N357 PolarHBondContact O-N 3.35Å; N357-T359 VanDerWaalsContact C-N 3.28Å; N357-S360 PolarHBondContact O-N 3.44Å; N357-F365 HydrophobicContact CB-CD2 4.24Å; N357-F365 HydrophobicContact CB-CE2 4.39Å; N357-F365 WeakPolarHBondContact ND2-CD2 3.5Å; N357-F365 WeakPolarHBondContact ND2-CE2 3.39Å; N357-V366 PolarHBondContact ND2-N 3.46Å; N357-V366 VanDerWaalsContact ND2-N 3.12Å; N357-V366 PolarHBondContact ND2-O 3.36Å; N357-V366 PolarHBondContact OD1-N 3.06Å; N357-W389 PolarHBondContact O-NE1 2.94Å
358E85.2Confident84.7Confident90 Ų9054.3 Ų54.342%0.42129%0.294SS..Hα-helixtrans-65.6-31.7172-171.1176.5-174.800111.8V354 K356V354-E358 WeakPolarHBondContact O-CB 3.43Å; V354-E358 PolarHBondContact O-N 2.87Å; K356-E358 VanDerWaalsContact C-N 3.34Å
359T85.8Confident83.9Confident119 Ų11956.2 Ų56.273%0.7330%0.303SS*.Hα-helixtrans-87.5-12.6176.362.90000113.9K356 N357K356-T359 PolarHBondContact O-N 3.28Å; K356-T359 PolarHBondContact O-OG1 3.44Å; N357-T359 VanDerWaalsContact C-N 3.28Å
360S83.1Confident82.5Confident44 Ų4463.9 Ų63.931%0.30834%0.338SS..  trans-80.1135.9179.1-1760000112K356 N357 S362K356-S360 PolarHBondContact O-N 2.88Å; N357-S360 PolarHBondContact O-N 3.44Å; S360-S362 VanDerWaalsContact C-N 3.27Å; S360-S362 PolarHBondContact O-N 3.4Å; S360-S362 PolarHBondContact OG-N 3.29Å; S360-S362 PolarHBondContact OG-OG 3.41Å
361L78.1Confident80.9Confident168 Ų16865.9 Ų65.988%0.8836%0.358SS*.THydrogen-bonded Turntrans-76.4-10.8176.8-64.5171.6000113.6H363L361-H363 VanDerWaalsContact C-N 3.29Å; L361-H363 PolarHBondContact O-N 2.96Å
362S75.3Confident78.9Confident61 Ų6170.4 Ų70.443%0.42740%0.397SS..THydrogen-bonded Turntrans-77-7.7-170.959.30000114.8S360 Q364S360-S362 VanDerWaalsContact C-N 3.27Å; S360-S362 PolarHBondContact O-N 3.4Å; S360-S362 PolarHBondContact OG-N 3.29Å; S360-S362 PolarHBondContact OG-OG 3.41Å; S362-Q364 WeakPolarHBondContact O-CG 3.36Å; S362-Q364 PolarHBondContact O-N 2.85Å
363H78.9Confident76.9Confident88 Ų8877.4 Ų77.441%0.40743%0.43SS..  trans44.228.1-176.4-66174.9000114.1L361 W389L361-H363 VanDerWaalsContact C-N 3.29Å; L361-H363 PolarHBondContact O-N 2.96Å; H363-W389 HydrophobicContact CB-CD2 4.39Å; H363-W389 HydrophobicContact CB-CE3 4.44Å; H363-W389 AromaticContact CD2-CH2 3.62Å; H363-W389 AromaticContact CD2-CZ2 3.58Å; H363-W389 AromaticContact NE2-CH2 3.78Å
364Q81.6Confident75.1Confident105 Ų10582 Ų8249%0.49146%0.46SS..  trans-120127.2177.1-73.6177.517.700107.3S362 V366 T386S362-Q364 WeakPolarHBondContact O-CG 3.36Å; S362-Q364 PolarHBondContact O-N 2.85Å; Q364-V366 PolarHBondContact O-N 3.42Å; Q364-T386 HydrophobicContact CG-CG2 4.22Å
365F80.7Confident73.7Confident10 Ų1085.1 Ų85.14%0.04448%0.481CS..  trans-74.1114.8177.9-163-83.2000110.1D353 V354 N357 H367 P385 E388 W389 E392D353-F365 HydrophobicContact CB-CZ 4.31Å; V354-F365 HydrophobicContact CG2-CE2 3.86Å; V354-F365 HydrophobicContact CG2-CZ 3.99Å; N357-F365 HydrophobicContact CB-CD2 4.24Å; N357-F365 HydrophobicContact CB-CE2 4.39Å; N357-F365 WeakPolarHBondContact ND2-CD2 3.5Å; N357-F365 WeakPolarHBondContact ND2-CE2 3.39Å; F365-H367 AromaticContact CD1-CD2 3.59Å; F365-H367 AromaticContact CD1-CE1 3.6Å; F365-H367 AromaticContact CD1-NE2 3.29Å; F365-H367 VanDerWaalsContact CD1-NE2 3.29Å; F365-H367 WeakPolarHBondContact CD1-NE2 3.26Å; F365-H367 AromaticContact CE1-CD2 3.85Å; F365-H367 AromaticContact CE1-CE1 3.26Å; F365-H367 WeakPolarHBondContact CE1-CE1 3.5Å; F365-H367 AromaticContact CE1-CG 3.84Å; F365-H367 AromaticContact CE1-ND1 3.5Å; F365-H367 AromaticContact CE1-NE2 3.49Å; F365-H367 WeakPolarHBondContact CE1-NE2 3.07Å; F365-P385 PolarHBondContact N-O 3.42Å; F365-E388 HydrophobicContact CB-CB 4.12Å; F365-E388 HydrophobicContact CB-CG 3.86Å; F365-E388 HydrophobicContact CD1-CG 4.14Å; F365-E388 HydrophobicContact CD2-CG 4.28Å; F365-E388 HydrophobicContact CG-CG 3.81Å; F365-W389 HydrophobicContact CB-CB 4.24Å; F365-E392 HydrophobicContact CD2-CB 4.44Å; F365-E392 HydrophobicContact CE2-CB 4.14Å
366V81.1Confident72.4Confident87 Ų8785.7 Ų85.753%0.52749%0.49SS..  trans-103.4122.1175.5-177.50000109N357 Q364N357-V366 PolarHBondContact ND2-N 3.46Å; N357-V366 VanDerWaalsContact ND2-N 3.12Å; N357-V366 PolarHBondContact ND2-O 3.36Å; N357-V366 PolarHBondContact OD1-N 3.06Å; Q364-V366 PolarHBondContact O-N 3.42Å
367H80Confident71.2Confident67 Ų6791.8 Ų91.831%0.3151%0.51SS..  trans-86.9134.8174.5-67.3-91.9000110F365 F369 E388F365-H367 AromaticContact CD1-CD2 3.59Å; F365-H367 AromaticContact CD1-CE1 3.6Å; F365-H367 AromaticContact CD1-NE2 3.29Å; F365-H367 VanDerWaalsContact CD1-NE2 3.29Å; F365-H367 WeakPolarHBondContact CD1-NE2 3.26Å; F365-H367 AromaticContact CE1-CD2 3.85Å; F365-H367 AromaticContact CE1-CE1 3.26Å; F365-H367 WeakPolarHBondContact CE1-CE1 3.5Å; F365-H367 AromaticContact CE1-CG 3.84Å; F365-H367 AromaticContact CE1-ND1 3.5Å; F365-H367 AromaticContact CE1-NE2 3.49Å; F365-H367 WeakPolarHBondContact CE1-NE2 3.07Å; H367-F369 VanDerWaalsContact C-N 3.29Å; H367-F369 PolarHBondContact O-N 2.59Å; H367-E388 IonicContact CE1-OE1 2.64Å; H367-E388 PolarHBondContact CE1-OE1 3.21Å; H367-E388 VanDerWaalsContact NE2-CD 3.33Å; H367-E388 IonicContact NE2-OE1 2.92Å; H367-E388 PolarHBondContact NE2-OE1 2.93Å; H367-E388 IonicContact NE2-OE2 3.53Å; H367-E388 PolarHBondContact NE2-OE2 3.11Å; H367-E388 VanDerWaalsContact NE2-OE2 3.15Å
368S76Confident70Confident42 Ų4299.4 Ų99.429%0.29454%0.543SS..SBendtrans-70.5-27.4175.3-730000113.1D353 R597D353-S368 VanDerWaalsContact CG-OG 3.31Å; D353-S368 VanDerWaalsContact OD1-CB 3.23Å; D353-S368 WeakPolarHBondContact OD1-CB 3.33Å; D353-S368 PolarHBondContact OD1-OG 3.27Å; D353-S368 WeakPolarHBondContact OD2-CB 3.43Å; D353-S368 PolarHBondContact OD2-N 3.31Å; D353-S368 PolarHBondContact OD2-OG 3.39Å; S368-R597 VanDerWaalsContact CB-NH2 3.34Å; S368-R597 PolarHBondContact OG-NH2 2.9Å
369F74.1Confident68.9Low40 Ų4097.7 Ų97.718%0.17554%0.541CS..SBendtrans-134.3128.6176.6-61.6-85.7000107.7V349 H367 S371 R597 R600 E604V349-F369 HydrophobicContact CG1-CD2 3.55Å; V349-F369 HydrophobicContact CG1-CE2 3.88Å; V349-F369 HydrophobicContact CG2-CE2 4.35Å; H367-F369 VanDerWaalsContact C-N 3.29Å; H367-F369 PolarHBondContact O-N 2.59Å; F369-S371 PolarHBondContact O-N 3.4Å; F369-R597 HydrophobicContact CE2-CG 3.92Å; F369-R597 HydrophobicContact CZ-CG 3.8Å; F369-R600 HydrophobicContact CE1-CB 3.95Å; F369-R600 HydrophobicContact CZ-CB 4.16Å; F369-E604 VanDerWaalsContact CD1-OE2 3.27Å; F369-E604 WeakPolarHBondContact CD1-OE2 2.96Å
370Q62.9Low67.8Low171 Ų17199.5 Ų99.580%0.79953%0.534SS*.  trans-68.9134.6177.1-71.7-179.74.400109.7A372Q370-A372 PolarHBondContact O-N 2.92Å
371S56.4Low67Low97 Ų97106.7 Ų106.768%0.67856%0.556SS**  trans-60.9132.6174-74.10000110.2F369 E373F369-S371 PolarHBondContact O-N 3.4Å; S371-E373 PolarHBondContact O-N 3.32Å; S371-E373 VanDerWaalsContact O-N 3.15Å
372A47Very low66.8Low110 Ų110102.6 Ų102.691%0.90954%0.538SS*.SBendtrans-64.8-16.6-178.300000113.6Q370Q370-A372 PolarHBondContact O-N 2.92Å
373E48.1Very low66.7Low166 Ų166103.8 Ų103.878%0.77653%0.533SS*.SBendtrans-101.1121.5174.2-68.7-172.3169.200110.5S371S371-E373 PolarHBondContact O-N 3.32Å; S371-E373 VanDerWaalsContact O-N 3.15Å
374P52Low66.7Low101 Ų101102 Ų10266%0.65653%0.529SS*.PPolyproline II helixtrans-64.9132.7175.125.5-31.3000109.2G376P374-G376 PolarHBondContact O-N 3.25Å
375P57.8Low66.7Low68 Ų68100 Ų10044%0.44253%0.525SS..PPolyproline II helixtrans-58.2133.4177.321.9-31.5000109.4
376G62.2Low66.8Low48 Ų48102.3 Ų102.350%0.49554%0.54SS..PPolyproline II helixtrans-53.2152.3176.700000111.4P374 F378 S379 R380P374-G376 PolarHBondContact O-N 3.25Å; G376-F378 PolarHBondContact O-N 2.6Å; G376-S379 WeakPolarHBondContact O-CA 3.33Å; G376-S379 WeakPolarHBondContact O-CB 3.49Å; G376-S379 PolarHBondContact O-N 2.93Å; G376-R380 PolarHBondContact O-N 2.86Å
377R61.5Low66.9Low236 Ų236101.3 Ų101.389%0.89153%0.534SS*.Hα-helixtrans-52.2-34.7-171.4-165.9-179.6-71.6170.9-3113.7
378F61.6Low67.1Low170 Ų17099.6 Ų99.675%0.74653%0.526SS*.Hα-helixtrans-74.9-40.4176.5-161.2-95.4000113.1G376 R380 Y381 V382G376-F378 PolarHBondContact O-N 2.6Å; F378-R380 VanDerWaalsContact C-N 3.33Å; F378-R380 PolarHBondContact O-N 2.8Å; F378-Y381 PolarHBondContact O-N 2.98Å; F378-V382 HydrophobicContact CD1-CG2 4.14Å; F378-V382 HydrophobicContact CE1-CG2 3.86Å; F378-V382 HydrophobicContact CZ-CG2 4.29Å; F378-V382 PolarHBondContact O-N 3.32Å; F378-V382 VanDerWaalsContact O-N 3.12Å
379S62.6Low67.6Low54 Ų5499.1 Ų99.138%0.37852%0.518SS..Hα-helixtrans-62.5-40.9174.9178.90000111G376 Y381 V382 Y383G376-S379 WeakPolarHBondContact O-CA 3.33Å; G376-S379 WeakPolarHBondContact O-CB 3.49Å; G376-S379 PolarHBondContact O-N 2.93Å; S379-Y381 PolarHBondContact O-N 3.1Å; S379-V382 PolarHBondContact O-N 3.32Å; S379-Y383 VanDerWaalsContact O-CA 3.31Å; S379-Y383 WeakPolarHBondContact O-CA 3.37Å; S379-Y383 WeakPolarHBondContact O-CB 3.44Å; S379-Y383 PolarHBondContact O-N 3.41Å
380R63.6Low68.2Low157 Ų157103 Ų10359%0.59253%0.532SS*.Hα-helixtrans-63.4-27.7176.7-167.1177.8-65.5176.6-1.7114G376 F378G376-R380 PolarHBondContact O-N 2.86Å; F378-R380 VanDerWaalsContact C-N 3.33Å; F378-R380 PolarHBondContact O-N 2.8Å
381Y66.3Low69.4Low195 Ų19599.5 Ų99.577%0.76551%0.512SS*.Hα-helixtrans-83.7-39.9179.8-172.9-99.8000112.4F378 S379F378-Y381 PolarHBondContact O-N 2.98Å; S379-Y381 PolarHBondContact O-N 3.1Å
382V72.4Confident70.8Confident81 Ų8195.6 Ų95.649%0.49148%0.483SS..Hα-helixtrans-86.5-35.5-177.9179.80000111.9F378 S379 T384F378-V382 HydrophobicContact CD1-CG2 4.14Å; F378-V382 HydrophobicContact CE1-CG2 3.86Å; F378-V382 HydrophobicContact CZ-CG2 4.29Å; F378-V382 PolarHBondContact O-N 3.32Å; F378-V382 VanDerWaalsContact O-N 3.12Å; S379-V382 PolarHBondContact O-N 3.32Å; V382-T384 PolarHBondContact O-N 3.17Å
383Y73.8Confident72.5Confident86 Ų8690.8 Ų90.834%0.33744%0.442SS..  trans-100.171.7-174.6-137.7-102.1000109.8S379 E388S379-Y383 VanDerWaalsContact O-CA 3.31Å; S379-Y383 WeakPolarHBondContact O-CA 3.37Å; S379-Y383 WeakPolarHBondContact O-CB 3.44Å; S379-Y383 PolarHBondContact O-N 3.41Å; Y383-E388 HydrophobicContact CD1-CB 3.94Å; Y383-E388 HydrophobicContact CD1-CG 4.23Å; Y383-E388 HydrophobicContact CE1-CB 3.61Å; Y383-E388 HydrophobicContact CE1-CG 3.52Å
384T80.2Confident74.3Confident50 Ų5087 Ų8731%0.30743%0.427SS..  trans-73.9153.3170.554.90000110V382 T386 V387 E388V382-T384 PolarHBondContact O-N 3.17Å; T384-T386 PolarHBondContact O-N 2.74Å; T384-T386 PolarHBondContact OG1-OG1 3.23Å; T384-V387 PolarHBondContact O-N 3.35Å; T384-V387 WeakPolarHBondContact OG1-CG2 3.31Å; T384-E388 PolarHBondContact O-N 3.23Å
385P79.9Confident76.1Confident63 Ų6386.7 Ų86.741%0.40942%0.419SS..Hα-helixtrans-60.2-22.3-177.122.8-34.5000113.8F365 W389F365-P385 PolarHBondContact N-O 3.42Å; P385-W389 PolarHBondContact O-N 3.03Å
386T82.5Confident77.5Confident59 Ų5985.5 Ų85.536%0.36241%0.407SS..Hα-helixtrans-75.7-42.8172.250.50000111.8Q364 T384 E388 W389 Y390Q364-T386 HydrophobicContact CG-CG2 4.22Å; T384-T386 PolarHBondContact O-N 2.74Å; T384-T386 PolarHBondContact OG1-OG1 3.23Å; T386-E388 VanDerWaalsContact C-N 3.33Å; T386-W389 PolarHBondContact O-N 2.94Å; T386-Y390 VanDerWaalsContact O-CD2 3.22Å; T386-Y390 WeakPolarHBondContact O-CD2 3.29Å; T386-Y390 PolarHBondContact O-N 3.22Å; T386-Y390 VanDerWaalsContact O-N 3.09Å
387V83.5Confident78.9Confident66 Ų6687.3 Ų87.340%0.440%0.399SS..Hα-helixtrans-65.5-39.8175.7171.40000110.5T384 W389 Y390 W391T384-V387 PolarHBondContact O-N 3.35Å; T384-V387 WeakPolarHBondContact OG1-CG2 3.31Å; V387-W389 VanDerWaalsContact C-N 3.33Å; V387-W389 PolarHBondContact O-N 3.1Å; V387-Y390 PolarHBondContact O-N 3.31Å; V387-W391 WeakPolarHBondContact O-CB 3.47Å; V387-W391 PolarHBondContact O-N 2.91Å
388E84.7Confident80.3Confident31 Ų3183.5 Ų83.515%0.14539%0.385CS..Hα-helixtrans-59.2-43.8173.7-177.9167.7-153.400111.6F365 H367 Y383 T384 T386 W391 E392F365-E388 HydrophobicContact CB-CB 4.12Å; F365-E388 HydrophobicContact CB-CG 3.86Å; F365-E388 HydrophobicContact CD1-CG 4.14Å; F365-E388 HydrophobicContact CD2-CG 4.28Å; F365-E388 HydrophobicContact CG-CG 3.81Å; H367-E388 IonicContact CE1-OE1 2.64Å; H367-E388 PolarHBondContact CE1-OE1 3.21Å; H367-E388 VanDerWaalsContact NE2-CD 3.33Å; H367-E388 IonicContact NE2-OE1 2.92Å; H367-E388 PolarHBondContact NE2-OE1 2.93Å; H367-E388 IonicContact NE2-OE2 3.53Å; H367-E388 PolarHBondContact NE2-OE2 3.11Å; H367-E388 VanDerWaalsContact NE2-OE2 3.15Å; Y383-E388 HydrophobicContact CD1-CB 3.94Å; Y383-E388 HydrophobicContact CD1-CG 4.23Å; Y383-E388 HydrophobicContact CE1-CB 3.61Å; Y383-E388 HydrophobicContact CE1-CG 3.52Å; T384-E388 PolarHBondContact O-N 3.23Å; T386-E388 VanDerWaalsContact C-N 3.33Å; E388-W391 PolarHBondContact O-N 3.06Å; E388-E392 HydrophobicContact CG-CG 4.38Å; E388-E392 WeakPolarHBondContact O-CB 3.41Å; E388-E392 PolarHBondContact O-N 3.09Å
389W86.1Confident81.8Confident32 Ų3280.3 Ų80.312%0.12137%0.371CS..Hα-helixtrans-60.8-48.6175.9-17394.7000112N357 H363 F365 P385 T386 V387 W391 C393N357-W389 PolarHBondContact O-NE1 2.94Å; H363-W389 HydrophobicContact CB-CD2 4.39Å; H363-W389 HydrophobicContact CB-CE3 4.44Å; H363-W389 AromaticContact CD2-CH2 3.62Å; H363-W389 AromaticContact CD2-CZ2 3.58Å; H363-W389 AromaticContact NE2-CH2 3.78Å; F365-W389 HydrophobicContact CB-CB 4.24Å; P385-W389 PolarHBondContact O-N 3.03Å; T386-W389 PolarHBondContact O-N 2.94Å; V387-W389 VanDerWaalsContact C-N 3.33Å; V387-W389 PolarHBondContact O-N 3.1Å; W389-W391 VanDerWaalsContact C-N 3.31Å; W389-W391 PolarHBondContact O-N 3.19Å; W389-C393 HydrophobicContact CD2-CB 4.36Å; W389-C393 HydrophobicContact CZ2-CB 4.45Å; W389-C393 VanDerWaalsContact O-CB 3.26Å; W389-C393 WeakPolarHBondContact O-CB 3.42Å; W389-C393 PolarHBondContact O-N 3.45Å
390Y87.3Confident83.2Confident123 Ų12380.8 Ų80.848%0.48237%0.365SS..Iπ-helixtrans-62.2-38.7177.5-81.6-70.9000112.6T386 V387 L394 L395T386-Y390 VanDerWaalsContact O-CD2 3.22Å; T386-Y390 WeakPolarHBondContact O-CD2 3.29Å; T386-Y390 PolarHBondContact O-N 3.22Å; T386-Y390 VanDerWaalsContact O-N 3.09Å; V387-Y390 PolarHBondContact O-N 3.31Å; Y390-L394 HydrophobicContact CD1-CD2 4.46Å; Y390-L394 PolarHBondContact O-N 3.39Å; Y390-L395 WeakPolarHBondContact O-CB 3.34Å; Y390-L395 PolarHBondContact O-N 3.33Å
391W87.5Confident84.7Confident96 Ų9676 Ų7636%0.36435%0.347SS..Iπ-helixtrans-65.8-56.9176.9177.9-105.2000111.4V387 E388 W389 L395 K396V387-W391 WeakPolarHBondContact O-CB 3.47Å; V387-W391 PolarHBondContact O-N 2.91Å; E388-W391 PolarHBondContact O-N 3.06Å; W389-W391 VanDerWaalsContact C-N 3.31Å; W389-W391 PolarHBondContact O-N 3.19Å; W391-L395 HydrophobicContact CE3-CB 4.2Å; W391-L395 HydrophobicContact CE3-CD2 3.6Å; W391-L395 HydrophobicContact CE3-CG 3.94Å; W391-L395 HydrophobicContact CZ3-CD2 3.71Å; W391-L395 HydrophobicContact CZ3-CG 3.93Å; W391-L395 PolarHBondContact O-N 2.87Å; W391-K396 WeakPolarHBondContact O-CB 3.06Å; W391-K396 PolarHBondContact O-N 3.47Å
392E85.6Confident86.1Confident16 Ų1672.2 Ų72.28%0.07534%0.339CS..Iπ-helixtrans-73.6-41.5-171.3-74.4-62.6152.400113.4H350 V354 F365 E388 K396H350-E392 IonicContact NE2-OE2 3.16Å; V354-E392 HydrophobicContact CG2-CB 4.44Å; F365-E392 HydrophobicContact CD2-CB 4.44Å; F365-E392 HydrophobicContact CE2-CB 4.14Å; E388-E392 HydrophobicContact CG-CG 4.38Å; E388-E392 WeakPolarHBondContact O-CB 3.41Å; E388-E392 PolarHBondContact O-N 3.09Å; E392-K396 IonicContact OE1-NZ 3.43Å; E392-K396 PolarHBondContact OE1-NZ 3.47Å; E392-K396 WeakPolarHBondContact OE2-CD 3.49Å; E392-K396 WeakPolarHBondContact OE2-CE 3.46Å; E392-K396 IonicContact OE2-NZ 2.82Å; E392-K396 PolarHBondContact OE2-NZ 3.2Å
393C83.8Confident87.1Confident8 Ų870 Ų705%0.05433%0.326CS..Iπ-helixtrans-86-31.6-175.2-62.60000113.4W389W389-C393 HydrophobicContact CD2-CB 4.36Å; W389-C393 HydrophobicContact CZ2-CB 4.45Å; W389-C393 VanDerWaalsContact O-CB 3.26Å; W389-C393 WeakPolarHBondContact O-CB 3.42Å; W389-C393 PolarHBondContact O-N 3.45Å
394L85.9Confident88.1Confident87 Ų8766.1 Ų66.146%0.45531%0.311SS..Iπ-helixtrans-117.3-62.2-173.3-17172.1000113.6Y390 K396 R397 W398Y390-L394 HydrophobicContact CD1-CD2 4.46Å; Y390-L394 PolarHBondContact O-N 3.39Å; L394-K396 PolarHBondContact O-N 2.98Å; L394-R397 PolarHBondContact O-N 3.32Å; L394-W398 PolarHBondContact O-N 2.82Å
395L88.9Confident88.9Confident95 Ų9567 Ų6750%0.49732%0.316SS..Iπ-helixtrans-68.6-40.6-166.9-17655.2000112.2Y390 W391 R397 W398 F399Y390-L395 WeakPolarHBondContact O-CB 3.34Å; Y390-L395 PolarHBondContact O-N 3.33Å; W391-L395 HydrophobicContact CE3-CB 4.2Å; W391-L395 HydrophobicContact CE3-CD2 3.6Å; W391-L395 HydrophobicContact CE3-CG 3.94Å; W391-L395 HydrophobicContact CZ3-CD2 3.71Å; W391-L395 HydrophobicContact CZ3-CG 3.93Å; W391-L395 PolarHBondContact O-N 2.87Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 3.05Å; L395-W398 PolarHBondContact O-N 3.46Å; L395-F399 WeakPolarHBondContact O-CB 3.41Å; L395-F399 PolarHBondContact O-N 3.06Å
396K88.6Confident89.6Confident43 Ų4368 Ų6819%0.18732%0.321CS..Hα-helixtrans-58.3-39.6178.3-176.4173.8-175.6174.30112.4W391 E392 L394 F399 Y400W391-K396 WeakPolarHBondContact O-CB 3.06Å; W391-K396 PolarHBondContact O-N 3.47Å; E392-K396 IonicContact OE1-NZ 3.43Å; E392-K396 PolarHBondContact OE1-NZ 3.47Å; E392-K396 WeakPolarHBondContact OE2-CD 3.49Å; E392-K396 WeakPolarHBondContact OE2-CE 3.46Å; E392-K396 IonicContact OE2-NZ 2.82Å; E392-K396 PolarHBondContact OE2-NZ 3.2Å; L394-K396 PolarHBondContact O-N 2.98Å; K396-F399 PolarHBondContact O-N 3.42Å; K396-Y400 HydrophobicContact CD-CE2 4.21Å; K396-Y400 HydrophobicContact CG-CD2 3.82Å; K396-Y400 HydrophobicContact CG-CE2 3.46Å; K396-Y400 VanDerWaalsContact CG-CE2 3.46Å; K396-Y400 WeakPolarHBondContact O-CD2 3.28Å; K396-Y400 PolarHBondContact O-N 2.97Å
397R90Very high90.3Very high85 Ų8566.6 Ų66.632%0.32131%0.311SS..Hα-helixtrans-61.2-48.3175.2174172.2-177.9-1710.6112S231 L394 L395 R401S231-R397 WeakPolarHBondContact O-CG 3.44Å; L394-R397 PolarHBondContact O-N 3.32Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 3.05Å; R397-R401 VanDerWaalsContact NH2-NH2 3.12Å; R397-R401 WeakPolarHBondContact O-CG 3.36Å; R397-R401 PolarHBondContact O-N 3.25Å; R397-R401 VanDerWaalsContact O-N 3.16Å
398W91.1Very high90.8Very high156 Ų15666.4 Ų66.459%0.59131%0.31SS*.Hα-helixtrans-68.3-40179.2-75.6106.4000112.4L394 L395 R401 L402L394-W398 PolarHBondContact O-N 2.82Å; L395-W398 PolarHBondContact O-N 3.46Å; W398-R401 PolarHBondContact O-N 3.12Å; W398-L402 PolarHBondContact O-N 2.94Å
399F93.3Very high91.4Very high103 Ų10370.6 Ų70.645%0.45233%0.333SS..Hα-helixtrans-57.6-50.9175.4176.8-102.3000111.7L395 K396 R401 L402 V403L395-F399 WeakPolarHBondContact O-CB 3.41Å; L395-F399 PolarHBondContact O-N 3.06Å; K396-F399 PolarHBondContact O-N 3.42Å; F399-R401 VanDerWaalsContact C-N 3.31Å; F399-R401 PolarHBondContact O-N 2.92Å; F399-L402 PolarHBondContact O-N 3.47Å; F399-V403 HydrophobicContact CD1-CG2 4.45Å; F399-V403 HydrophobicContact CD2-CG2 4.38Å; F399-V403 HydrophobicContact CE1-CG2 4.07Å; F399-V403 HydrophobicContact CE2-CG2 3.99Å; F399-V403 HydrophobicContact CZ-CG2 3.82Å; F399-V403 WeakPolarHBondContact O-CG2 3.31Å; F399-V403 PolarHBondContact O-N 3.24Å
400Y92.8Very high91.8Very high65 Ų6571.2 Ų71.226%0.25534%0.336SS..Hα-helixtrans-64.2-33.9178.2-75.4-50000113.5Y227 K396 S404Y227-Y400 AromaticContact CD1-CD1 3.56Å; Y227-Y400 HydrophobicContact CD1-CD1 3.56Å; Y227-Y400 AromaticContact CD1-CE1 3.89Å; Y227-Y400 HydrophobicContact CD1-CE1 3.89Å; Y227-Y400 HydrophobicContact CE1-CD1 4.04Å; Y227-Y400 AromaticContact CE1-CE1 3.93Å; Y227-Y400 HydrophobicContact CE1-CE1 3.93Å; K396-Y400 HydrophobicContact CD-CE2 4.21Å; K396-Y400 HydrophobicContact CG-CD2 3.82Å; K396-Y400 HydrophobicContact CG-CE2 3.46Å; K396-Y400 VanDerWaalsContact CG-CE2 3.46Å; K396-Y400 WeakPolarHBondContact O-CD2 3.28Å; K396-Y400 PolarHBondContact O-N 2.97Å; Y400-S404 WeakPolarHBondContact O-CB 3.43Å; Y400-S404 PolarHBondContact O-N 2.9Å
401R94.3Very high92.1Very high57 Ų5765.7 Ų65.722%0.21532%0.316CS..Hα-helixtrans-64.8-47.8173.2-76.5177173.2-165.4-9.3111.9W228 S231 R397 W398 F399 S404 V405W228-R401 HydrophobicContact CE3-CG 4.4Å; W228-R401 HydrophobicContact CZ3-CB 4.35Å; W228-R401 HydrophobicContact CZ3-CG 4.18Å; S231-R401 WeakPolarHBondContact OG-CG 3.41Å; R397-R401 VanDerWaalsContact NH2-NH2 3.12Å; R397-R401 WeakPolarHBondContact O-CG 3.36Å; R397-R401 PolarHBondContact O-N 3.25Å; R397-R401 VanDerWaalsContact O-N 3.16Å; W398-R401 PolarHBondContact O-N 3.12Å; F399-R401 VanDerWaalsContact C-N 3.31Å; F399-R401 PolarHBondContact O-N 2.92Å; R401-S404 PolarHBondContact O-N 3.41Å; R401-V405 WeakPolarHBondContact O-CG2 3.42Å; R401-V405 PolarHBondContact O-N 3.01Å
402L95.4Very high92.4Very high114 Ų11465.6 Ų65.660%0.59733%0.326SS*.Hα-helixtrans-59.8-49.2178.5-179.766000110.8W398 F399 S404 V405 V406W398-L402 PolarHBondContact O-N 2.94Å; F399-L402 PolarHBondContact O-N 3.47Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 2.68Å; L402-V405 PolarHBondContact O-N 2.94Å; L402-V406 WeakPolarHBondContact O-CG2 3.34Å; L402-V406 PolarHBondContact O-N 3.13Å
403V94.6Very high92.7Very high36 Ų3665.8 Ų65.822%0.21833%0.33CS..Hα-helixtrans-58.3-44.5176.8170.80000110.9Y227 F399 V405 V406 L407Y227-V403 HydrophobicContact CD1-CG1 4.36Å; Y227-V403 HydrophobicContact CG-CG1 4.32Å; F399-V403 HydrophobicContact CD1-CG2 4.45Å; F399-V403 HydrophobicContact CD2-CG2 4.38Å; F399-V403 HydrophobicContact CE1-CG2 4.07Å; F399-V403 HydrophobicContact CE2-CG2 3.99Å; F399-V403 HydrophobicContact CZ-CG2 3.82Å; F399-V403 WeakPolarHBondContact O-CG2 3.31Å; F399-V403 PolarHBondContact O-N 3.24Å; V403-V405 PolarHBondContact O-N 2.83Å; V403-V406 PolarHBondContact O-N 2.94Å; V403-L407 HydrophobicContact CG1-CD1 3.62Å; V403-L407 HydrophobicContact CG1-CG 4.2Å; V403-L407 WeakPolarHBondContact O-CB 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.42Å; V403-L407 PolarHBondContact O-N 2.8Å
404S95.2Very high93.1Very high3 Ų365.4 Ų65.42%0.02133%0.327CS..Hα-helixtrans-61.6-42.6177.5176.60000113P224 W228 Y400 R401 L402 L407 T408P224-S404 PolarHBondContact O-OG 3.02Å; W228-S404 WeakPolarHBondContact CB-OG 3.38Å; W228-S404 PolarHBondContact N-OG 2.95Å; Y400-S404 WeakPolarHBondContact O-CB 3.43Å; Y400-S404 PolarHBondContact O-N 2.9Å; R401-S404 PolarHBondContact O-N 3.41Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 2.68Å; S404-L407 PolarHBondContact O-N 2.98Å; S404-T408 WeakPolarHBondContact O-CB 3.25Å; S404-T408 PolarHBondContact O-N 3.26Å; S404-T408 PolarHBondContact O-OG1 3.4Å
405V96.1Very high93.4Very high69 Ų6962.7 Ų62.742%0.41832%0.315SS..Hα-helixtrans-64.2-47.1177.3171.90000110.6W228 R401 L402 V403 L407 T408 L409W228-V405 HydrophobicContact CZ3-CG2 4.1Å; R401-V405 WeakPolarHBondContact O-CG2 3.42Å; R401-V405 PolarHBondContact O-N 3.01Å; L402-V405 PolarHBondContact O-N 2.94Å; V403-V405 PolarHBondContact O-N 2.83Å; V405-L407 PolarHBondContact O-N 2.82Å; V405-T408 PolarHBondContact O-N 3.2Å; V405-L409 HydrophobicContact CG1-CD1 4.31Å; V405-L409 WeakPolarHBondContact O-CG 3.31Å; V405-L409 PolarHBondContact O-N 3.44Å
406V95.6Very high93.4Very high83 Ų8364.6 Ų64.650%0.50332%0.315SS..Hα-helixtrans-59.5-46.9177.5172.30000111.1L402 V403 T408 L409 F410L402-V406 WeakPolarHBondContact O-CG2 3.34Å; L402-V406 PolarHBondContact O-N 3.13Å; V403-V406 PolarHBondContact O-N 2.94Å; V406-T408 VanDerWaalsContact C-N 3.32Å; V406-T408 PolarHBondContact O-N 3.28Å; V406-L409 PolarHBondContact O-N 2.96Å; V406-F410 PolarHBondContact O-N 3.19Å
407L95.4Very high93.4Very high31 Ų3162.6 Ų62.616%0.16231%0.306CS..Hα-helixtrans-64.2-36.2177.5-67.5170.6000112I223 P224 Y227 V403 S404 V405 F410 S411 F457I223-L407 HydrophobicContact CG2-CD1 4.08Å; P224-L407 HydrophobicContact CB-CB 4.14Å; P224-L407 HydrophobicContact CG-CB 3.99Å; Y227-L407 HydrophobicContact CD2-CD1 3.58Å; Y227-L407 HydrophobicContact CE2-CD1 3.83Å; Y227-L407 HydrophobicContact CG-CD1 4.4Å; V403-L407 HydrophobicContact CG1-CD1 3.62Å; V403-L407 HydrophobicContact CG1-CG 4.2Å; V403-L407 WeakPolarHBondContact O-CB 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.42Å; V403-L407 PolarHBondContact O-N 2.8Å; S404-L407 PolarHBondContact O-N 2.98Å; V405-L407 PolarHBondContact O-N 2.82Å; L407-F410 PolarHBondContact O-N 3.27Å; L407-S411 WeakPolarHBondContact O-CB 3.43Å; L407-S411 PolarHBondContact O-N 3.02Å; L407-S411 PolarHBondContact O-OG 3.42Å; L407-S411 VanDerWaalsContact O-OG 3.11Å; L407-F457 HydrophobicContact CD2-CD2 3.92Å; L407-F457 HydrophobicContact CD2-CE2 3.71Å
408T95.8Very high93.2Very high62 Ų6258.7 Ų58.738%0.3829%0.292SS..Hα-helixtrans-65.1-44.3176.4-56.30000111.3P224 S404 V405 V406 F410 S411 V412P224-T408 VanDerWaalsContact CB-OG1 3.24Å; P224-T408 WeakPolarHBondContact CB-OG1 3.07Å; S404-T408 WeakPolarHBondContact O-CB 3.25Å; S404-T408 PolarHBondContact O-N 3.26Å; S404-T408 PolarHBondContact O-OG1 3.4Å; V405-T408 PolarHBondContact O-N 3.2Å; V406-T408 VanDerWaalsContact C-N 3.32Å; V406-T408 PolarHBondContact O-N 3.28Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 3.32Å; T408-S411 PolarHBondContact O-N 3.45Å; T408-V412 WeakPolarHBondContact O-CG2 3.4Å; T408-V412 PolarHBondContact O-N 3.48Å
409L95.6Very high92.7Very high119 Ų11954.1 Ų54.162%0.62328%0.283SS*.Hα-helixtrans-60.5-42.8175.8-69.8172.8000111.1V405 V406 V412 A413V405-L409 HydrophobicContact CG1-CD1 4.31Å; V405-L409 WeakPolarHBondContact O-CG 3.31Å; V405-L409 PolarHBondContact O-N 3.44Å; V406-L409 PolarHBondContact O-N 2.96Å; L409-V412 PolarHBondContact O-N 3.46Å; L409-A413 WeakPolarHBondContact O-CB 3.12Å; L409-A413 PolarHBondContact O-N 2.74Å
410F94.4Very high92.1Very high44 Ų4450 Ų5019%0.19327%0.266CS..Hα-helixtrans-67.4-40.6177.8-150.7-86.8000112.1V406 L407 T408 V412 A413 V414 F431 I453 F457V406-F410 PolarHBondContact O-N 3.19Å; L407-F410 PolarHBondContact O-N 3.27Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 3.32Å; F410-V412 PolarHBondContact O-N 3.32Å; F410-A413 PolarHBondContact O-N 3.05Å; F410-V414 HydrophobicContact CD1-CG2 4.03Å; F410-V414 HydrophobicContact CE1-CG2 4.05Å; F410-V414 WeakPolarHBondContact O-CG2 3.25Å; F410-V414 PolarHBondContact O-N 2.85Å; F410-F431 HydrophobicContact CD1-CZ 4.41Å; F410-F431 HydrophobicContact CE1-CE1 4.16Å; F410-F431 AromaticContact CE1-CZ 3.79Å; F410-F431 HydrophobicContact CE1-CZ 3.79Å; F410-F431 AromaticContact CE2-CE1 3.93Å; F410-F431 HydrophobicContact CE2-CE1 3.93Å; F410-F431 HydrophobicContact CE2-CZ 4.11Å; F410-F431 AromaticContact CZ-CE1 3.53Å; F410-F431 HydrophobicContact CZ-CE1 3.53Å; F410-F431 AromaticContact CZ-CZ 3.63Å; F410-F431 HydrophobicContact CZ-CZ 3.63Å; F410-I453 HydrophobicContact CE2-CG2 3.87Å; F410-I453 HydrophobicContact CZ-CG2 3.99Å; F410-F457 HydrophobicContact CB-CD2 4.39Å; F410-F457 HydrophobicContact CB-CE2 4.12Å; F410-F457 HydrophobicContact CB-CZ 4.23Å; F410-F457 HydrophobicContact CD1-CB 3.76Å; F410-F457 AromaticContact CD1-CD1 3.17Å; F410-F457 HydrophobicContact CD1-CD1 3.17Å; F410-F457 AromaticContact CD1-CD2 3.65Å; F410-F457 HydrophobicContact CD1-CD2 3.65Å; F410-F457 AromaticContact CD1-CE1 3.51Å; F410-F457 HydrophobicContact CD1-CE1 3.51Å; F410-F457 AromaticContact CD1-CE2 3.97Å; F410-F457 HydrophobicContact CD1-CE2 3.97Å; F410-F457 AromaticContact CD1-CG 3.22Å; F410-F457 HydrophobicContact CD1-CG 3.22Å; F410-F457 AromaticContact CD1-CZ 3.89Å; F410-F457 HydrophobicContact CD1-CZ 3.89Å; F410-F457 HydrophobicContact CE1-CB 3.44Å; F410-F457 VanDerWaalsContact CE1-CB 3.44Å; F410-F457 AromaticContact CE1-CD1 3.42Å; F410-F457 HydrophobicContact CE1-CD1 3.42Å; F410-F457 VanDerWaalsContact CE1-CD1 3.42Å; F410-F457 HydrophobicContact CE1-CD2 4.26Å; F410-F457 HydrophobicContact CE1-CE1 4.18Å; F410-F457 AromaticContact CE1-CG 3.44Å; F410-F457 HydrophobicContact CE1-CG 3.44Å; F410-F457 VanDerWaalsContact CE1-CG 3.44Å; F410-F457 HydrophobicContact CG-CD1 4.38Å; F410-F457 HydrophobicContact CG-CD2 4.25Å; F410-F457 HydrophobicContact CG-CE2 4.42Å; F410-F457 HydrophobicContact CG-CG 4.21Å; F410-F457 HydrophobicContact CZ-CB 4.26Å
411S94.9Very high91.1Very high8 Ų847.3 Ų47.36%0.05626%0.256CS..Hα-helixtrans-58.1-46.1172.7-69.50000112.1L220 P224 L407 T408 A413 V414 V415 F457L220-S411 VanDerWaalsContact O-CB 3.27Å; L220-S411 WeakPolarHBondContact O-CB 3.38Å; L220-S411 PolarHBondContact O-OG 3.37Å; P224-S411 WeakPolarHBondContact CG-OG 3.45Å; L407-S411 WeakPolarHBondContact O-CB 3.43Å; L407-S411 PolarHBondContact O-N 3.02Å; L407-S411 PolarHBondContact O-OG 3.42Å; L407-S411 VanDerWaalsContact O-OG 3.11Å; T408-S411 PolarHBondContact O-N 3.45Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 2.91Å; S411-V414 PolarHBondContact O-N 2.91Å; S411-V415 WeakPolarHBondContact O-CG2 3.39Å; S411-V415 PolarHBondContact O-N 2.9Å; S411-F457 WeakPolarHBondContact OG-CZ 3.47Å
412V93.6Very high89.9Confident93 Ų9351.3 Ų51.356%0.56428%0.275SS*.Hα-helixtrans-63.3-41.2177.5172.20000110.7T408 L409 F410 V414 V415 W416T408-V412 WeakPolarHBondContact O-CG2 3.4Å; T408-V412 PolarHBondContact O-N 3.48Å; L409-V412 PolarHBondContact O-N 3.46Å; F410-V412 PolarHBondContact O-N 3.32Å; V412-V414 VanDerWaalsContact C-N 3.34Å; V412-V414 PolarHBondContact O-N 3.43Å; V412-V415 PolarHBondContact O-N 2.96Å; V412-W416 VanDerWaalsContact O-CB 3.27Å; V412-W416 WeakPolarHBondContact O-CB 3.19Å; V412-W416 PolarHBondContact O-N 3.11Å
413A92.3Very high88.4Confident20 Ų2047.6 Ų47.617%0.16526%0.258CS..Hα-helixtrans-62.5-39.7176.100000112.5L409 F410 S411 S417 L430 F431L409-A413 WeakPolarHBondContact O-CB 3.12Å; L409-A413 PolarHBondContact O-N 2.74Å; F410-A413 PolarHBondContact O-N 3.05Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 2.91Å; A413-S417 VanDerWaalsContact O-CB 3.26Å; A413-S417 WeakPolarHBondContact O-CB 3.49Å; A413-S417 PolarHBondContact O-N 2.91Å; A413-S417 PolarHBondContact O-OG 2.67Å; A413-L430 HydrophobicContact CB-CD1 3.83Å; A413-F431 HydrophobicContact CB-CE2 4.36Å; A413-F431 HydrophobicContact CB-CZ 4.27Å
414V92Very high87Confident0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-64.9-52.6173.8171.30000110.7L220 F410 S411 V412 W416 S417 E418 F431 F457 L458L220-V414 HydrophobicContact CD1-CG1 4.2Å; L220-V414 HydrophobicContact CD2-CB 4.05Å; L220-V414 HydrophobicContact CD2-CG1 3.93Å; F410-V414 HydrophobicContact CD1-CG2 4.03Å; F410-V414 HydrophobicContact CE1-CG2 4.05Å; F410-V414 WeakPolarHBondContact O-CG2 3.25Å; F410-V414 PolarHBondContact O-N 2.85Å; S411-V414 PolarHBondContact O-N 2.91Å; V412-V414 VanDerWaalsContact C-N 3.34Å; V412-V414 PolarHBondContact O-N 3.43Å; V414-W416 VanDerWaalsContact C-N 3.28Å; V414-W416 PolarHBondContact O-N 3.34Å; V414-S417 CarbonylContact O-C 3.53Å; V414-S417 PolarHBondContact O-N 3.2Å; V414-E418 HydrophobicContact CG1-CG 4.29Å; V414-E418 WeakPolarHBondContact O-CG 3.21Å; V414-E418 PolarHBondContact O-N 3.36Å; V414-F431 HydrophobicContact CG2-CE2 3.79Å; V414-F431 HydrophobicContact CG2-CZ 3.96Å; V414-F457 HydrophobicContact CG2-CD1 4.04Å; V414-F457 HydrophobicContact CG2-CE1 3.9Å; V414-L458 HydrophobicContact CG1-CD2 3.84Å; V414-L458 HydrophobicContact CG2-CD2 4.22Å
415V91.3Very high85.4Confident31 Ų3156.9 Ų56.919%0.18829%0.294CS..Hα-helixtrans-57.1-43.4178.7174.70000111.1L220 S411 V412 E418 C419 V552L220-V415 HydrophobicContact CD1-CG2 3.87Å; S411-V415 WeakPolarHBondContact O-CG2 3.39Å; S411-V415 PolarHBondContact O-N 2.9Å; V412-V415 PolarHBondContact O-N 2.96Å; V415-E418 PolarHBondContact O-N 3.15Å; V415-C419 PolarHBondContact O-N 3.07Å; V415-C419 PolarHBondContact O-SG 3.12Å; V415-V552 HydrophobicContact CG1-CG2 4.02Å
416W90.3Very high84Confident135 Ų13558 Ų5851%0.51130%0.302SS..Hα-helixtrans-60.2-46.3175.2-180-89000112V412 V414 E418 C419 T420 L428V412-W416 VanDerWaalsContact O-CB 3.27Å; V412-W416 WeakPolarHBondContact O-CB 3.19Å; V412-W416 PolarHBondContact O-N 3.11Å; V414-W416 VanDerWaalsContact C-N 3.28Å; V414-W416 PolarHBondContact O-N 3.34Å; W416-E418 VanDerWaalsContact C-N 3.34Å; W416-E418 PolarHBondContact O-N 3.13Å; W416-C419 PolarHBondContact O-N 3.09Å; W416-T420 HydrophobicContact CD2-CG2 4.34Å; W416-T420 HydrophobicContact CZ2-CG2 4.16Å; W416-T420 WeakPolarHBondContact O-CB 3.22Å; W416-T420 WeakPolarHBondContact O-CG2 3.04Å; W416-T420 PolarHBondContact O-N 3.4Å; W416-T420 PolarHBondContact O-OG1 3.45Å; W416-L428 PolarHBondContact NE1-O 2.79Å; W416-L428 VanDerWaalsContact NE1-O 3.14Å
417S87.1Confident83.1Confident0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-67.9-33.5-178.6-58.20000112.3A413 V414 T420 F421 S429 L430 F431A413-S417 VanDerWaalsContact O-CB 3.26Å; A413-S417 WeakPolarHBondContact O-CB 3.49Å; A413-S417 PolarHBondContact O-N 2.91Å; A413-S417 PolarHBondContact O-OG 2.67Å; V414-S417 CarbonylContact O-C 3.53Å; V414-S417 PolarHBondContact O-N 3.2Å; S417-T420 WeakPolarHBondContact CA-OG1 3.34Å; S417-T420 PolarHBondContact O-OG1 3.32Å; S417-F421 WeakPolarHBondContact O-CB 3.16Å; S417-F421 PolarHBondContact O-N 2.92Å; S417-S429 WeakPolarHBondContact CB-OG 3.46Å; S417-L430 PolarHBondContact OG-N 3.39Å; S417-F431 WeakPolarHBondContact OG-CD2 3.37Å
418E85.5Confident82.2Confident4 Ų457.5 Ų57.52%0.01930%0.297CS..Hα-helixtrans-64.6-48.5170.2-69.7-63.4162.600111.4V414 V415 W416 T420 F421 N505 L509 Y547 P548 I551V414-E418 HydrophobicContact CG1-CG 4.29Å; V414-E418 WeakPolarHBondContact O-CG 3.21Å; V414-E418 PolarHBondContact O-N 3.36Å; V415-E418 PolarHBondContact O-N 3.15Å; W416-E418 VanDerWaalsContact C-N 3.34Å; W416-E418 PolarHBondContact O-N 3.13Å; E418-T420 PolarHBondContact O-N 3.41Å; E418-F421 WeakPolarHBondContact O-CD1 3.16Å; E418-F421 PolarHBondContact O-N 2.72Å; E418-N505 PolarHBondContact OE1-ND2 3.08Å; E418-N505 PolarHBondContact OE1-OD1 3.23Å; E418-N505 PolarHBondContact OE2-ND2 2.91Å; E418-L509 HydrophobicContact CG-CD2 3.93Å; E418-L509 WeakPolarHBondContact OE1-CD1 3.48Å; E418-L509 VanDerWaalsContact OE1-CD2 3.31Å; E418-L509 WeakPolarHBondContact OE1-CD2 3.36Å; E418-L509 VanDerWaalsContact OE1-CG 3.3Å; E418-L509 WeakPolarHBondContact OE1-CG 3.28Å; E418-Y547 WeakPolarHBondContact OE2-CE1 3.3Å; E418-P548 WeakPolarHBondContact O-CB 3.5Å; E418-P548 VanDerWaalsContact O-CG 3.27Å; E418-P548 WeakPolarHBondContact O-CG 3.48Å; E418-I551 HydrophobicContact CG-CD1 4.12Å
419C82.3Confident81.6Confident59 Ų5954.5 Ų54.540%0.39928%0.279SS..Hα-helixtrans-60.7-31.9178.6-68.50000113.3V415 W416 V552V415-C419 PolarHBondContact O-N 3.07Å; V415-C419 PolarHBondContact O-SG 3.12Å; W416-C419 PolarHBondContact O-N 3.09Å; C419-V552 WeakPolarHBondContact SG-CG2 3.36Å
420T79.4Confident81Confident16 Ų1652 Ų5210%0.09827%0.266CS..Hα-helixtrans-100.4-3.4-171.656.20000113.4W416 S417 E418 F422 S423 L428 S429W416-T420 HydrophobicContact CD2-CG2 4.34Å; W416-T420 HydrophobicContact CZ2-CG2 4.16Å; W416-T420 WeakPolarHBondContact O-CB 3.22Å; W416-T420 WeakPolarHBondContact O-CG2 3.04Å; W416-T420 PolarHBondContact O-N 3.4Å; W416-T420 PolarHBondContact O-OG1 3.45Å; S417-T420 WeakPolarHBondContact CA-OG1 3.34Å; S417-T420 PolarHBondContact O-OG1 3.32Å; E418-T420 PolarHBondContact O-N 3.41Å; T420-F422 PolarHBondContact O-N 3.3Å; T420-F422 VanDerWaalsContact O-N 3.16Å; T420-S423 PolarHBondContact O-N 3.03Å; T420-L428 HydrophobicContact CG2-CB 3.85Å; T420-L428 HydrophobicContact CG2-CD1 4.46Å; T420-L428 PolarHBondContact OG1-O 3.37Å; T420-S429 WeakPolarHBondContact OG1-CA 3.35Å; T420-S429 PolarHBondContact OG1-N 3.05Å
421F73Confident80.5Confident9 Ų950.5 Ų50.54%0.03926%0.26CS..THydrogen-bonded Turntrans-60.1-31.6-175.693.9-112.3000112.3S417 E418 S423 H511 I516 Y544 P548S417-F421 WeakPolarHBondContact O-CB 3.16Å; S417-F421 PolarHBondContact O-N 2.92Å; E418-F421 WeakPolarHBondContact O-CD1 3.16Å; E418-F421 PolarHBondContact O-N 2.72Å; F421-S423 VanDerWaalsContact C-N 3.26Å; F421-S423 PolarHBondContact O-N 3.15Å; F421-H511 PolarHBondContact O-NE2 3.22Å; F421-I516 HydrophobicContact CD2-CD1 3.81Å; F421-I516 HydrophobicContact CD2-CG1 4.38Å; F421-I516 HydrophobicContact CD2-CG2 3.88Å; F421-I516 HydrophobicContact CE2-CD1 3.77Å; F421-I516 HydrophobicContact CE2-CG1 4.18Å; F421-I516 HydrophobicContact CE2-CG2 4.3Å; F421-Y544 AromaticContact CE2-CD1 3.66Å; F421-Y544 HydrophobicContact CE2-CD1 3.66Å; F421-Y544 HydrophobicContact CE2-CE1 4.5Å; F421-Y544 HydrophobicContact CE2-CG 4.14Å; F421-Y544 AromaticContact CZ-CD1 3.58Å; F421-Y544 HydrophobicContact CZ-CD1 3.58Å; F421-Y544 HydrophobicContact CZ-CG 4.06Å; F421-Y544 VanDerWaalsContact CZ-O 3.28Å; F421-Y544 WeakPolarHBondContact CZ-O 3.33Å; F421-P548 HydrophobicContact CD1-CG 3.69Å; F421-P548 HydrophobicContact CE1-CG 3.24Å; F421-P548 HydrophobicContact CZ-CG 4.24Å
422F67.8Low79.9Confident142 Ų14250.1 Ų50.162%0.62326%0.257SS*.THydrogen-bonded Turntrans-66.2-25.1177.9176.9-95.9000113.2T420 T424T420-F422 PolarHBondContact O-N 3.3Å; T420-F422 VanDerWaalsContact O-N 3.16Å; F422-T424 PolarHBondContact O-N 2.87Å
423S65.1Low79.5Confident35 Ų3548 Ų4825%0.24524%0.244CC..  trans-83102.6179.9-159.10000110.4T420 F421 P426T420-S423 PolarHBondContact O-N 3.03Å; F421-S423 VanDerWaalsContact C-N 3.26Å; F421-S423 PolarHBondContact O-N 3.15Å; S423-P426 PolarHBondContact OG-O 3.33Å
424T64.3Low79.2Confident40 Ų4051.4 Ų51.425%0.24526%0.255CS..THydrogen-bonded Turntrans-87.1-20.9-17953.80000113F422 I516F422-T424 PolarHBondContact O-N 2.87Å; T424-I516 HydrophobicContact CG2-CG2 4.47Å; T424-I516 WeakPolarHBondContact CG2-O 3.14Å
425R61.9Low78.8Confident195 Ų19551.6 Ų51.674%0.73626%0.256SS*.THydrogen-bonded Turntrans-147.8110.3176.7-62.7-172-175.2-175.70.9110.2
426P66.8Low78.4Confident92 Ų9252.5 Ų52.560%0.59726%0.259SS*.THydrogen-bonded Turncis-70158.1-4.630.3-34.6000113S423 L428S423-P426 PolarHBondContact OG-O 3.33Å; P426-L428 HydrophobicContact CG-CD2 4.15Å; P426-L428 HydrophobicContact CG-CG 4.17Å; P426-L428 PolarHBondContact O-N 3.19Å
427V75.5Confident78Confident31 Ų3150.8 Ų50.819%0.18826%0.259CS..THydrogen-bonded Turntrans-73.5109.1173.7-179.90000108A432 V433V427-A432 HydrophobicContact CG1-CB 3.69Å; V427-V433 HydrophobicContact CB-CG2 4.45Å; V427-V433 HydrophobicContact CG1-CG2 4.01Å; V427-V433 WeakPolarHBondContact O-CG2 3.4Å
428L77.1Confident77.7Confident72 Ų7251.1 Ų51.138%0.37726%0.261SS..  trans-103.4-14.5-174.4-71.9174.7000114W416 T420 P426 L430W416-L428 PolarHBondContact NE1-O 2.79Å; W416-L428 VanDerWaalsContact NE1-O 3.14Å; T420-L428 HydrophobicContact CG2-CB 3.85Å; T420-L428 HydrophobicContact CG2-CD1 4.46Å; T420-L428 PolarHBondContact OG1-O 3.37Å; P426-L428 HydrophobicContact CG-CD2 4.15Å; P426-L428 HydrophobicContact CG-CG 4.17Å; P426-L428 PolarHBondContact O-N 3.19Å; L428-L430 PolarHBondContact O-N 2.98Å
429S82.8Confident77.4Confident0 Ų052.8 Ų52.80%027%0.269CS..  trans-67.8124.9173.5166.40000110.1S417 T420 F431 A432 V433 L509S417-S429 WeakPolarHBondContact CB-OG 3.46Å; T420-S429 WeakPolarHBondContact OG1-CA 3.35Å; T420-S429 PolarHBondContact OG1-N 3.05Å; S429-F431 VanDerWaalsContact C-N 3.34Å; S429-F431 PolarHBondContact O-N 3.48Å; S429-A432 PolarHBondContact O-N 3.09Å; S429-A432 PolarHBondContact OG-N 3.33Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 3Å; S429-L509 PolarHBondContact OG-O 3.35Å
430L83.4Confident77.1Confident67 Ų6753.7 Ų53.735%0.35128%0.276SS..Hα-helixtrans-63.6-41.9-176.6-67.5171.8000111.3A413 S417 L428 V433 F434A413-L430 HydrophobicContact CB-CD1 3.83Å; S417-L430 PolarHBondContact OG-N 3.39Å; L428-L430 PolarHBondContact O-N 2.98Å; L430-V433 PolarHBondContact O-N 3.34Å; L430-F434 HydrophobicContact CB-CE2 4.26Å; L430-F434 WeakPolarHBondContact O-CD2 3.32Å; L430-F434 VanDerWaalsContact O-CG 3.31Å; L430-F434 WeakPolarHBondContact O-CG 3.44Å; L430-F434 PolarHBondContact O-N 3.32Å
431F85.1Confident77.1Confident12 Ų1259 Ų595%0.05330%0.304CS..Hα-helixtrans-67.3-38.5179.4-62.8-72.9000112.1F410 A413 V414 S417 S429 F434 I435 T454 I510F410-F431 HydrophobicContact CD1-CZ 4.41Å; F410-F431 HydrophobicContact CE1-CE1 4.16Å; F410-F431 AromaticContact CE1-CZ 3.79Å; F410-F431 HydrophobicContact CE1-CZ 3.79Å; F410-F431 AromaticContact CE2-CE1 3.93Å; F410-F431 HydrophobicContact CE2-CE1 3.93Å; F410-F431 HydrophobicContact CE2-CZ 4.11Å; F410-F431 AromaticContact CZ-CE1 3.53Å; F410-F431 HydrophobicContact CZ-CE1 3.53Å; F410-F431 AromaticContact CZ-CZ 3.63Å; F410-F431 HydrophobicContact CZ-CZ 3.63Å; A413-F431 HydrophobicContact CB-CE2 4.36Å; A413-F431 HydrophobicContact CB-CZ 4.27Å; V414-F431 HydrophobicContact CG2-CE2 3.79Å; V414-F431 HydrophobicContact CG2-CZ 3.96Å; S417-F431 WeakPolarHBondContact OG-CD2 3.37Å; S429-F431 VanDerWaalsContact C-N 3.34Å; S429-F431 PolarHBondContact O-N 3.48Å; F431-F434 PolarHBondContact O-N 3.03Å; F431-I435 WeakPolarHBondContact O-CG1 3.5Å; F431-I435 PolarHBondContact O-N 3.48Å; F431-I435 VanDerWaalsContact O-N 3.07Å; F431-T454 HydrophobicContact CD1-CG2 3.84Å; F431-T454 VanDerWaalsContact CD1-OG1 3.3Å; F431-T454 WeakPolarHBondContact CD1-OG1 3.17Å; F431-T454 HydrophobicContact CD2-CG2 4.44Å; F431-T454 HydrophobicContact CE1-CG2 3.82Å; F431-T454 VanDerWaalsContact CE1-OG1 3.31Å; F431-T454 WeakPolarHBondContact CE1-OG1 3.31Å; F431-T454 HydrophobicContact CE2-CG2 4.43Å; F431-T454 HydrophobicContact CG-CG2 4.16Å; F431-T454 HydrophobicContact CZ-CG2 4.13Å; F431-I510 HydrophobicContact CB-CG2 4.3Å
432A81.5Confident77.2Confident0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-65.6-39.2174.700000112V427 S429 I435 Q436 H511V427-A432 HydrophobicContact CG1-CB 3.69Å; S429-A432 PolarHBondContact O-N 3.09Å; S429-A432 PolarHBondContact OG-N 3.33Å; A432-I435 PolarHBondContact O-N 2.97Å; A432-Q436 WeakPolarHBondContact O-CB 3.09Å; A432-Q436 VanDerWaalsContact O-CG 3.25Å; A432-Q436 WeakPolarHBondContact O-CG 3.27Å; A432-Q436 PolarHBondContact O-N 3.39Å; A432-H511 HydrophobicContact CB-CB 4.17Å; A432-H511 WeakPolarHBondContact CB-ND1 3.4Å
433V84.8Confident77.9Confident49 Ų4959.4 Ų59.430%0.29731%0.308SS..Hα-helixtrans-62.4-46.8174.41720000111V427 S429 L430 I435 Q436 L437V427-V433 HydrophobicContact CB-CG2 4.45Å; V427-V433 HydrophobicContact CG1-CG2 4.01Å; V427-V433 WeakPolarHBondContact O-CG2 3.4Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 3Å; L430-V433 PolarHBondContact O-N 3.34Å; V433-I435 VanDerWaalsContact C-N 3.29Å; V433-I435 PolarHBondContact O-N 3.28Å; V433-Q436 PolarHBondContact O-N 2.85Å; V433-L437 HydrophobicContact CG1-CD1 3.9Å; V433-L437 HydrophobicContact CG1-CG 4.38Å; V433-L437 WeakPolarHBondContact O-CB 3.42Å; V433-L437 VanDerWaalsContact O-CG 3.32Å; V433-L437 WeakPolarHBondContact O-CG 3.48Å; V433-L437 PolarHBondContact O-N 3.43Å
434F85.4Confident78.9Confident90 Ų9058.5 Ų58.540%0.39530%0.299SS..Hα-helixtrans-60.3-39.1178.4-64.4-39000112.8L430 F431 A438L430-F434 HydrophobicContact CB-CE2 4.26Å; L430-F434 WeakPolarHBondContact O-CD2 3.32Å; L430-F434 VanDerWaalsContact O-CG 3.31Å; L430-F434 WeakPolarHBondContact O-CG 3.44Å; L430-F434 PolarHBondContact O-N 3.32Å; F431-F434 PolarHBondContact O-N 3.03Å; F434-A438 WeakPolarHBondContact O-CB 3.27Å; F434-A438 PolarHBondContact O-N 2.98Å; F434-A438 VanDerWaalsContact O-N 3.17Å
435I84.4Confident79.9Confident5 Ų561.7 Ų61.73%0.02631%0.314CS..Hα-helixtrans-73.6-40.5179.2-69.7165.8000111.2I60 F431 A432 V433 L437 A438 E439 I510I60-I435 HydrophobicContact CD1-CG2 4.16Å; F431-I435 WeakPolarHBondContact O-CG1 3.5Å; F431-I435 PolarHBondContact O-N 3.48Å; F431-I435 VanDerWaalsContact O-N 3.07Å; A432-I435 PolarHBondContact O-N 2.97Å; V433-I435 VanDerWaalsContact C-N 3.29Å; V433-I435 PolarHBondContact O-N 3.28Å; I435-L437 VanDerWaalsContact C-N 3.35Å; I435-L437 PolarHBondContact O-N 2.98Å; I435-A438 PolarHBondContact O-N 3.36Å; I435-E439 VanDerWaalsContact O-CB 3.27Å; I435-E439 WeakPolarHBondContact O-CB 3.36Å; I435-E439 PolarHBondContact O-N 3.31Å; I435-I510 HydrophobicContact CD1-CB 3.49Å; I435-I510 VanDerWaalsContact CD1-CB 3.49Å; I435-I510 HydrophobicContact CD1-CD1 4.29Å; I435-I510 HydrophobicContact CD1-CG1 4.49Å; I435-I510 HydrophobicContact CD1-CG2 3.3Å
436Q82.4Confident81.2Confident50 Ų5057.6 Ų57.623%0.23430%0.299CS..Hα-helixtrans-64.9-37.2176.8-74.8174.615.800112.6A432 V433 E439 S440A432-Q436 WeakPolarHBondContact O-CB 3.09Å; A432-Q436 VanDerWaalsContact O-CG 3.25Å; A432-Q436 WeakPolarHBondContact O-CG 3.27Å; A432-Q436 PolarHBondContact O-N 3.39Å; V433-Q436 PolarHBondContact O-N 2.85Å; Q436-E439 PolarHBondContact O-N 3.05Å; Q436-S440 PolarHBondContact O-N 3.16Å
437L81.9Confident82.2Confident99 Ų9953.2 Ų53.252%0.51827%0.271SS..Hα-helixtrans-63.3-47173.3-73170.5000111V433 I435 E439 S440 D441V433-L437 HydrophobicContact CG1-CD1 3.9Å; V433-L437 HydrophobicContact CG1-CG 4.38Å; V433-L437 WeakPolarHBondContact O-CB 3.42Å; V433-L437 VanDerWaalsContact O-CG 3.32Å; V433-L437 WeakPolarHBondContact O-CG 3.48Å; V433-L437 PolarHBondContact O-N 3.43Å; I435-L437 VanDerWaalsContact C-N 3.35Å; I435-L437 PolarHBondContact O-N 2.98Å; L437-E439 VanDerWaalsContact C-N 3.33Å; L437-E439 PolarHBondContact O-N 3.15Å; L437-S440 WeakPolarHBondContact O-CB 3.24Å; L437-S440 PolarHBondContact O-N 3.33Å; L437-S440 VanDerWaalsContact O-N 3.14Å; L437-S440 PolarHBondContact O-OG 3.04Å; L437-D441 PolarHBondContact O-N 3.34Å
438A81.2Confident82.8Confident6 Ų653.7 Ų53.75%0.0527%0.271CS..Hα-helixtrans-69.5-29179.300000113.8F434 I435 S440 D441 Y442 N443 Y446 I447F434-A438 WeakPolarHBondContact O-CB 3.27Å; F434-A438 PolarHBondContact O-N 2.98Å; F434-A438 VanDerWaalsContact O-N 3.17Å; I435-A438 PolarHBondContact O-N 3.36Å; A438-S440 VanDerWaalsContact C-N 3.3Å; A438-D441 PolarHBondContact O-N 3.03Å; A438-Y442 PolarHBondContact O-N 3.34Å; A438-Y442 VanDerWaalsContact O-N 3.12Å; A438-N443 PolarHBondContact O-N 2.88Å; A438-N443 VanDerWaalsContact O-N 3.09Å; A438-Y446 HydrophobicContact CB-CD1 3.41Å; A438-Y446 VanDerWaalsContact CB-CD1 3.41Å; A438-Y446 HydrophobicContact CB-CE1 3.93Å; A438-Y446 HydrophobicContact CB-CG 4.39Å; A438-I447 HydrophobicContact CB-CD1 4.28Å; A438-I447 HydrophobicContact CB-CG1 3.6Å
439E79.2Confident83.4Confident39 Ų3954.5 Ų54.518%0.18227%0.274CS..Hα-helixtrans-63-38.2170.6-176.5177.3-159.500110.5I60 I435 Q436 L437 D441 Y442 K521I60-E439 HydrophobicContact CG2-CG 4.07Å; I435-E439 VanDerWaalsContact O-CB 3.27Å; I435-E439 WeakPolarHBondContact O-CB 3.36Å; I435-E439 PolarHBondContact O-N 3.31Å; Q436-E439 PolarHBondContact O-N 3.05Å; L437-E439 VanDerWaalsContact C-N 3.33Å; L437-E439 PolarHBondContact O-N 3.15Å; E439-D441 VanDerWaalsContact C-N 3.33Å; E439-D441 PolarHBondContact O-N 2.95Å; E439-Y442 PolarHBondContact O-N 2.9Å; E439-K521 IonicContact OE1-NZ 3.54Å; E439-K521 PolarHBondContact OE1-NZ 3.48Å; E439-K521 IonicContact OE2-NZ 3.56Å; E439-K521 PolarHBondContact OE2-NZ 3.29Å
440S76.6Confident83.8Confident78 Ų7855.5 Ų55.555%0.54528%0.283SS..Hα-helixtrans-67.1-32.8177.7850000113.5Q436 L437 A438Q436-S440 PolarHBondContact O-N 3.16Å; L437-S440 WeakPolarHBondContact O-CB 3.24Å; L437-S440 PolarHBondContact O-N 3.33Å; L437-S440 VanDerWaalsContact O-N 3.14Å; L437-S440 PolarHBondContact O-OG 3.04Å; A438-S440 VanDerWaalsContact C-N 3.3Å
441D78.5Confident84.2Confident128 Ų12852.3 Ų52.368%0.68427%0.266SS*.THydrogen-bonded Turntrans-91.50.8178.4-67.6-35.1000112.9L437 A438 E439 N443L437-D441 PolarHBondContact O-N 3.34Å; A438-D441 PolarHBondContact O-N 3.03Å; E439-D441 VanDerWaalsContact C-N 3.33Å; E439-D441 PolarHBondContact O-N 2.95Å; D441-N443 PolarHBondContact O-N 2.99Å; D441-N443 VanDerWaalsContact O-N 3.12Å
442Y75.1Confident84.6Confident78 Ų7854.2 Ų54.231%0.30627%0.274SS..THydrogen-bonded Turntrans49.533.4-173.6-61.9-75.5000114.2C64 S104 A438 E439 Y444C64-Y442 HydrophobicContact CB-CE1 4.01Å; C64-Y442 WeakPolarHBondContact SG-CE1 3.35Å; S104-Y442 WeakPolarHBondContact OG-CE2 3.36Å; A438-Y442 PolarHBondContact O-N 3.34Å; A438-Y442 VanDerWaalsContact O-N 3.12Å; E439-Y442 PolarHBondContact O-N 2.9Å; Y442-Y444 VanDerWaalsContact O-CD2 3.27Å; Y442-Y444 WeakPolarHBondContact O-CD2 3.46Å; Y442-Y444 WeakPolarHBondContact O-CE2 3.41Å; Y442-Y444 PolarHBondContact O-N 2.99Å; Y442-Y444 VanDerWaalsContact O-N 3.09Å
443N83.8Confident85.2Confident82 Ų8258.3 Ų58.344%0.43930%0.295SS..  trans-87.278.5-179.6-168-18000111.1A438 D441 L445 Y446 I447A438-N443 PolarHBondContact O-N 2.88Å; A438-N443 VanDerWaalsContact O-N 3.09Å; D441-N443 PolarHBondContact O-N 2.99Å; D441-N443 VanDerWaalsContact O-N 3.12Å; N443-L445 VanDerWaalsContact C-N 3.25Å; N443-L445 PolarHBondContact O-N 2.65Å; N443-Y446 PolarHBondContact O-N 3.27Å; N443-Y446 VanDerWaalsContact O-N 3.16Å; N443-Y446 PolarHBondContact OD1-N 3.25Å; N443-I447 WeakPolarHBondContact O-CG1 3.5Å; N443-I447 PolarHBondContact O-N 3.14Å; N443-I447 VanDerWaalsContact O-N 3.13Å
444Y84.4Confident85.6Confident15 Ų1556.2 Ų56.26%0.05928%0.283CS..Hα-helixtrans-60.1-31.7-177-58.2-74000114I60 H107 P109 Y442 I447 E448I60-Y444 HydrophobicContact CG2-CE1 4.3Å; H107-Y444 WeakPolarHBondContact O-CE2 3.31Å; P109-Y444 HydrophobicContact CB-CD1 4.42Å; P109-Y444 HydrophobicContact CB-CD2 4.21Å; P109-Y444 HydrophobicContact CB-CG 3.87Å; Y442-Y444 VanDerWaalsContact O-CD2 3.27Å; Y442-Y444 WeakPolarHBondContact O-CD2 3.46Å; Y442-Y444 WeakPolarHBondContact O-CE2 3.41Å; Y442-Y444 PolarHBondContact O-N 2.99Å; Y442-Y444 VanDerWaalsContact O-N 3.09Å; Y444-I447 PolarHBondContact O-N 2.67Å; Y444-E448 WeakPolarHBondContact O-CB 3.26Å; Y444-E448 PolarHBondContact O-N 3.44Å
445L85.8Confident86Confident108 Ų10852 Ų5257%0.56526%0.264SS*.Hα-helixtrans-66.6-42.9177.7-171.8155.3000110.7N443 E448 M449N443-L445 VanDerWaalsContact C-N 3.25Å; N443-L445 PolarHBondContact O-N 2.65Å; L445-E448 PolarHBondContact O-N 2.95Å; L445-M449 HydrophobicContact CD2-CG 3.92Å; L445-M449 WeakPolarHBondContact O-CB 3.47Å; L445-M449 VanDerWaalsContact O-CG 3.29Å; L445-M449 WeakPolarHBondContact O-CG 3.38Å; L445-M449 PolarHBondContact O-N 2.88Å
446Y88.9Confident86.5Confident108 Ų10857 Ų5742%0.42429%0.286SS..Hα-helixtrans-63.7-43.5175.4-179.6-87.9000111.7A438 N443 E448 M449 A450A438-Y446 HydrophobicContact CB-CD1 3.41Å; A438-Y446 VanDerWaalsContact CB-CD1 3.41Å; A438-Y446 HydrophobicContact CB-CE1 3.93Å; A438-Y446 HydrophobicContact CB-CG 4.39Å; N443-Y446 PolarHBondContact O-N 3.27Å; N443-Y446 VanDerWaalsContact O-N 3.16Å; N443-Y446 PolarHBondContact OD1-N 3.25Å; Y446-E448 VanDerWaalsContact C-N 3.33Å; Y446-E448 PolarHBondContact O-N 3.49Å; Y446-M449 PolarHBondContact O-N 3.39Å; Y446-A450 HydrophobicContact CE1-CB 4.29Å; Y446-A450 VanDerWaalsContact O-CB 3.25Å; Y446-A450 WeakPolarHBondContact O-CB 3.2Å; Y446-A450 PolarHBondContact O-N 2.8Å
447I87.6Confident87.1Confident0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-57.3-49.1176.2-64.4169.9000110V56 I60 A438 N443 Y444 A450 C451V56-I447 HydrophobicContact CG1-CG2 4.36Å; I60-I447 HydrophobicContact CD1-CD1 4.2Å; I60-I447 HydrophobicContact CD1-CG2 3.9Å; I60-I447 HydrophobicContact CG2-CD1 4.39Å; A438-I447 HydrophobicContact CB-CD1 4.28Å; A438-I447 HydrophobicContact CB-CG1 3.6Å; N443-I447 WeakPolarHBondContact O-CG1 3.5Å; N443-I447 PolarHBondContact O-N 3.14Å; N443-I447 VanDerWaalsContact O-N 3.13Å; Y444-I447 PolarHBondContact O-N 2.67Å; I447-A450 PolarHBondContact O-N 3.27Å; I447-C451 VanDerWaalsContact O-CB 3.28Å; I447-C451 WeakPolarHBondContact O-CB 3.43Å; I447-C451 PolarHBondContact O-N 3.49Å; I447-C451 PolarHBondContact O-SG 3.2Å
448E89Confident87.6Confident41 Ų4150.5 Ų50.519%0.19225%0.253CS..Hα-helixtrans-60.2-47.8179.5-171.3177.9147.800111.7P53 L54 S111 Y444 L445 Y446 C451 F452P53-E448 HydrophobicContact CB-CG 4.19Å; L54-E448 HydrophobicContact CD2-CG 4.33Å; L54-E448 WeakPolarHBondContact CD2-OE1 3.49Å; S111-E448 WeakPolarHBondContact CB-OE2 3.25Å; S111-E448 PolarHBondContact OG-OE2 2.98Å; Y444-E448 WeakPolarHBondContact O-CB 3.26Å; Y444-E448 PolarHBondContact O-N 3.44Å; L445-E448 PolarHBondContact O-N 2.95Å; Y446-E448 VanDerWaalsContact C-N 3.33Å; Y446-E448 PolarHBondContact O-N 3.49Å; E448-C451 PolarHBondContact O-N 2.85Å; E448-F452 VanDerWaalsContact O-CB 3.31Å; E448-F452 WeakPolarHBondContact O-CB 3.4Å; E448-F452 PolarHBondContact O-N 3.47Å
449M90.4Very high88.2Confident90 Ų9050.5 Ų50.544%0.44325%0.252SS..Hα-helixtrans-66.2-39.9179.1-68.9-56.3-60.100112.8L445 Y446 F452 I453L445-M449 HydrophobicContact CD2-CG 3.92Å; L445-M449 WeakPolarHBondContact O-CB 3.47Å; L445-M449 VanDerWaalsContact O-CG 3.29Å; L445-M449 WeakPolarHBondContact O-CG 3.38Å; L445-M449 PolarHBondContact O-N 2.88Å; Y446-M449 PolarHBondContact O-N 3.39Å; M449-F452 PolarHBondContact O-N 3.4Å; M449-I453 WeakPolarHBondContact O-CB 3.27Å; M449-I453 VanDerWaalsContact O-CG1 3.26Å; M449-I453 WeakPolarHBondContact O-CG1 3.19Å; M449-I453 PolarHBondContact O-N 3.35Å
450A91.6Very high88.8Confident21 Ų2151 Ų5117%0.17426%0.258CS..Hα-helixtrans-65.5-44176.700000111.3Y446 I447 T454Y446-A450 HydrophobicContact CE1-CB 4.29Å; Y446-A450 VanDerWaalsContact O-CB 3.25Å; Y446-A450 WeakPolarHBondContact O-CB 3.2Å; Y446-A450 PolarHBondContact O-N 2.8Å; I447-A450 PolarHBondContact O-N 3.27Å; A450-T454 WeakPolarHBondContact O-CB 3.28Å; A450-T454 PolarHBondContact O-N 2.96Å; A450-T454 VanDerWaalsContact O-N 3.08Å; A450-T454 PolarHBondContact O-OG1 3.23Å
451C91.7Very high89.5Confident0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-60.1-47.1173.3-74.70000111.2P53 I447 E448 T454 I455 F506P53-C451 HydrophobicContact CB-CB 3.77Å; P53-C451 HydrophobicContact CG-CB 4.03Å; I447-C451 VanDerWaalsContact O-CB 3.28Å; I447-C451 WeakPolarHBondContact O-CB 3.43Å; I447-C451 PolarHBondContact O-N 3.49Å; I447-C451 PolarHBondContact O-SG 3.2Å; E448-C451 PolarHBondContact O-N 2.85Å; C451-T454 PolarHBondContact O-N 3.37Å; C451-I455 VanDerWaalsContact O-CG2 3.3Å; C451-I455 WeakPolarHBondContact O-CG2 3.3Å; C451-I455 PolarHBondContact O-N 2.83Å; C451-F506 HydrophobicContact CB-CZ 3.79Å
452F92.7Very high90.1Very high51 Ų5141.2 Ų41.222%0.22420%0.2CC..Hα-helixtrans-58.5-50.5178173.5-98.4000112.2V49 F50 P53 E448 M449 T454 I455 F456V49-F452 HydrophobicContact CG1-CD2 4.03Å; V49-F452 HydrophobicContact CG1-CE2 3.69Å; F50-F452 HydrophobicContact CD1-CD2 4.26Å; F50-F452 AromaticContact CD1-CE2 3.78Å; F50-F452 HydrophobicContact CD1-CE2 3.78Å; F50-F452 HydrophobicContact CE1-CD2 4.33Å; F50-F452 AromaticContact CE1-CE2 3.44Å; F50-F452 HydrophobicContact CE1-CE2 3.44Å; F50-F452 VanDerWaalsContact CE1-CE2 3.44Å; F50-F452 HydrophobicContact CE1-CZ 4.07Å; F50-F452 AromaticContact CZ-CE2 3.9Å; F50-F452 HydrophobicContact CZ-CE2 3.9Å; F50-F452 HydrophobicContact CZ-CZ 4.4Å; P53-F452 HydrophobicContact CG-CB 4.1Å; E448-F452 VanDerWaalsContact O-CB 3.31Å; E448-F452 WeakPolarHBondContact O-CB 3.4Å; E448-F452 PolarHBondContact O-N 3.47Å; M449-F452 PolarHBondContact O-N 3.4Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 3.39Å; F452-I455 WeakPolarHBondContact O-CG2 3.46Å; F452-F456 WeakPolarHBondContact O-CB 2.97Å; F452-F456 PolarHBondContact O-N 3.46Å
453I93.7Very high90.7Very high87 Ų8738.1 Ų38.145%0.44619%0.187SC..Hα-helixtrans-60.6-41.3179.6-69.4166.3000110.7F410 M449 F457F410-I453 HydrophobicContact CE2-CG2 3.87Å; F410-I453 HydrophobicContact CZ-CG2 3.99Å; M449-I453 WeakPolarHBondContact O-CB 3.27Å; M449-I453 VanDerWaalsContact O-CG1 3.26Å; M449-I453 WeakPolarHBondContact O-CG1 3.19Å; M449-I453 PolarHBondContact O-N 3.35Å; I453-F457 WeakPolarHBondContact O-CB 3.42Å; I453-F457 PolarHBondContact O-N 2.94Å
454T93.1Very high90.8Very high5 Ų535.6 Ų35.63%0.03118%0.176CC..Hα-helixtrans-68-52.4-178.7-52.70000111.8F431 A450 C451 F452 F456 F457 L458 F506F431-T454 HydrophobicContact CD1-CG2 3.84Å; F431-T454 VanDerWaalsContact CD1-OG1 3.3Å; F431-T454 WeakPolarHBondContact CD1-OG1 3.17Å; F431-T454 HydrophobicContact CD2-CG2 4.44Å; F431-T454 HydrophobicContact CE1-CG2 3.82Å; F431-T454 VanDerWaalsContact CE1-OG1 3.31Å; F431-T454 WeakPolarHBondContact CE1-OG1 3.31Å; F431-T454 HydrophobicContact CE2-CG2 4.43Å; F431-T454 HydrophobicContact CG-CG2 4.16Å; F431-T454 HydrophobicContact CZ-CG2 4.13Å; A450-T454 WeakPolarHBondContact O-CB 3.28Å; A450-T454 PolarHBondContact O-N 2.96Å; A450-T454 VanDerWaalsContact O-N 3.08Å; A450-T454 PolarHBondContact O-OG1 3.23Å; C451-T454 PolarHBondContact O-N 3.37Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 3.39Å; T454-F456 VanDerWaalsContact C-N 3.33Å; T454-F456 PolarHBondContact O-N 3.24Å; T454-F457 PolarHBondContact O-N 3.01Å; T454-L458 HydrophobicContact CG2-CD1 4.45Å; T454-L458 WeakPolarHBondContact O-CG 3.42Å; T454-L458 PolarHBondContact O-N 3.29Å; T454-F506 HydrophobicContact CG2-CD2 3.98Å; T454-F506 HydrophobicContact CG2-CE2 3.9Å
455I94.1Very high90.8Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-65.3-37.1178.4-168.663.7000111.6V49 L52 P53 C451 F452 F457 L458 C459 L502 F506V49-I455 HydrophobicContact CG1-CG2 4.21Å; V49-I455 WeakPolarHBondContact O-CG2 3.36Å; L52-I455 HydrophobicContact CD2-CD1 4.07Å; L52-I455 HydrophobicContact CD2-CG1 4.33Å; P53-I455 HydrophobicContact CG-CG2 4.04Å; C451-I455 VanDerWaalsContact O-CG2 3.3Å; C451-I455 WeakPolarHBondContact O-CG2 3.3Å; C451-I455 PolarHBondContact O-N 2.83Å; F452-I455 WeakPolarHBondContact O-CG2 3.46Å; I455-F457 VanDerWaalsContact C-N 3.33Å; I455-F457 PolarHBondContact O-N 3.16Å; I455-L458 PolarHBondContact O-N 3.34Å; I455-C459 WeakPolarHBondContact O-CB 3.42Å; I455-C459 PolarHBondContact O-N 3.23Å; I455-C459 PolarHBondContact O-SG 3.44Å; I455-C459 VanDerWaalsContact O-SG 3.41Å; I455-L502 HydrophobicContact CD1-CD2 3.61Å; I455-L502 HydrophobicContact CD1-CG 4.39Å; I455-F506 HydrophobicContact CB-CD2 4.18Å; I455-F506 HydrophobicContact CB-CE2 4.29Å; I455-F506 HydrophobicContact CB-CG 4.44Å; I455-F506 HydrophobicContact CD1-CB 3.75Å; I455-F506 HydrophobicContact CD1-CD1 4.38Å; I455-F506 HydrophobicContact CD1-CD2 4.27Å; I455-F506 HydrophobicContact CD1-CG 3.87Å
456F94.4Very high90.7Very high110 Ų11029.8 Ų29.848%0.48215%0.147SC..Hα-helixtrans-61.3-42.3176.1178.6-102.8000111.7V49 F452 T454 T460V49-F456 HydrophobicContact CG1-CB 4.03Å; V49-F456 HydrophobicContact CG1-CD2 4.04Å; F452-F456 WeakPolarHBondContact O-CB 2.97Å; F452-F456 PolarHBondContact O-N 3.46Å; T454-F456 VanDerWaalsContact C-N 3.33Å; T454-F456 PolarHBondContact O-N 3.24Å; F456-T460 WeakPolarHBondContact O-CB 3.33Å; F456-T460 PolarHBondContact O-N 3.22Å; F456-T460 PolarHBondContact O-OG1 3.4Å
457F94.8Very high90Very high14 Ų1426.6 Ų26.66%0.06114%0.135CC..Hα-helixtrans-65.1-47.3175.2176.4-95.2000112.1L220 L407 F410 S411 V414 I453 T454 I455 C459 T460 C461L220-F457 HydrophobicContact CD2-CE1 3.63Å; L220-F457 HydrophobicContact CD2-CZ 4.08Å; L407-F457 HydrophobicContact CD2-CD2 3.92Å; L407-F457 HydrophobicContact CD2-CE2 3.71Å; F410-F457 HydrophobicContact CB-CD2 4.39Å; F410-F457 HydrophobicContact CB-CE2 4.12Å; F410-F457 HydrophobicContact CB-CZ 4.23Å; F410-F457 HydrophobicContact CD1-CB 3.76Å; F410-F457 AromaticContact CD1-CD1 3.17Å; F410-F457 HydrophobicContact CD1-CD1 3.17Å; F410-F457 AromaticContact CD1-CD2 3.65Å; F410-F457 HydrophobicContact CD1-CD2 3.65Å; F410-F457 AromaticContact CD1-CE1 3.51Å; F410-F457 HydrophobicContact CD1-CE1 3.51Å; F410-F457 AromaticContact CD1-CE2 3.97Å; F410-F457 HydrophobicContact CD1-CE2 3.97Å; F410-F457 AromaticContact CD1-CG 3.22Å; F410-F457 HydrophobicContact CD1-CG 3.22Å; F410-F457 AromaticContact CD1-CZ 3.89Å; F410-F457 HydrophobicContact CD1-CZ 3.89Å; F410-F457 HydrophobicContact CE1-CB 3.44Å; F410-F457 VanDerWaalsContact CE1-CB 3.44Å; F410-F457 AromaticContact CE1-CD1 3.42Å; F410-F457 HydrophobicContact CE1-CD1 3.42Å; F410-F457 VanDerWaalsContact CE1-CD1 3.42Å; F410-F457 HydrophobicContact CE1-CD2 4.26Å; F410-F457 HydrophobicContact CE1-CE1 4.18Å; F410-F457 AromaticContact CE1-CG 3.44Å; F410-F457 HydrophobicContact CE1-CG 3.44Å; F410-F457 VanDerWaalsContact CE1-CG 3.44Å; F410-F457 HydrophobicContact CG-CD1 4.38Å; F410-F457 HydrophobicContact CG-CD2 4.25Å; F410-F457 HydrophobicContact CG-CE2 4.42Å; F410-F457 HydrophobicContact CG-CG 4.21Å; F410-F457 HydrophobicContact CZ-CB 4.26Å; S411-F457 WeakPolarHBondContact OG-CZ 3.47Å; V414-F457 HydrophobicContact CG2-CD1 4.04Å; V414-F457 HydrophobicContact CG2-CE1 3.9Å; I453-F457 WeakPolarHBondContact O-CB 3.42Å; I453-F457 PolarHBondContact O-N 2.94Å; T454-F457 PolarHBondContact O-N 3.01Å; I455-F457 VanDerWaalsContact C-N 3.33Å; I455-F457 PolarHBondContact O-N 3.16Å; F457-C459 VanDerWaalsContact C-N 3.35Å; F457-C459 PolarHBondContact O-N 2.84Å; F457-T460 WeakPolarHBondContact O-CA 3.23Å; F457-T460 WeakPolarHBondContact O-CB 3.32Å; F457-T460 PolarHBondContact O-N 3.06Å; F457-C461 VanDerWaalsContact CE1-SG 3.55Å; F457-C461 VanDerWaalsContact CZ-SG 3.52Å; F457-C461 PolarHBondContact O-N 3.31Å
458L93.4Very high89.2Confident0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-59.2-44.9177.3-66.3174.8000111.6L216 V414 T454 I455 T460 C461 V462 L502 F506 L509L216-L458 HydrophobicContact CD1-CD2 3.89Å; L216-L458 HydrophobicContact CD2-CD2 4.49Å; V414-L458 HydrophobicContact CG1-CD2 3.84Å; V414-L458 HydrophobicContact CG2-CD2 4.22Å; T454-L458 HydrophobicContact CG2-CD1 4.45Å; T454-L458 WeakPolarHBondContact O-CG 3.42Å; T454-L458 PolarHBondContact O-N 3.29Å; I455-L458 PolarHBondContact O-N 3.34Å; L458-T460 VanDerWaalsContact C-N 3.33Å; L458-T460 PolarHBondContact O-N 3.4Å; L458-C461 WeakPolarHBondContact O-CB 3.37Å; L458-C461 PolarHBondContact O-N 3.44Å; L458-V462 WeakPolarHBondContact O-CG2 3.44Å; L458-V462 PolarHBondContact O-N 3.04Å; L458-L502 HydrophobicContact CB-CD1 4.39Å; L458-F506 HydrophobicContact CD1-CB 4.05Å; L458-F506 HydrophobicContact CD1-CD2 4.21Å; L458-L509 HydrophobicContact CD1-CD1 3.87Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å
459C93.4Very high88.2Confident5 Ų532.2 Ų32.23%0.03416%0.158CC..Hα-helixtrans-60-41.8172.8-770000111.9V49 I455 F457 V462 Y463 L502V49-C459 HydrophobicContact CG2-CB 4.13Å; I455-C459 WeakPolarHBondContact O-CB 3.42Å; I455-C459 PolarHBondContact O-N 3.23Å; I455-C459 PolarHBondContact O-SG 3.44Å; I455-C459 VanDerWaalsContact O-SG 3.41Å; F457-C459 VanDerWaalsContact C-N 3.35Å; F457-C459 PolarHBondContact O-N 2.84Å; C459-V462 PolarHBondContact O-N 3.29Å; C459-Y463 HydrophobicContact CB-CD2 3.94Å; C459-Y463 HydrophobicContact CB-CE2 3.83Å; C459-Y463 WeakPolarHBondContact O-CB 3.27Å; C459-Y463 WeakPolarHBondContact O-CD2 3.5Å; C459-Y463 VanDerWaalsContact O-CG 3.29Å; C459-Y463 PolarHBondContact O-N 3.08Å; C459-L502 WeakPolarHBondContact SG-CD2 3.18Å
460T92Very high86.9Confident50 Ų5033.6 Ų33.631%0.30716%0.159SC..Hα-helixtrans-63.2-42.6177.1-60.80000111.3I223 F456 F457 L458 S464I223-T460 HydrophobicContact CD1-CG2 4.3Å; I223-T460 WeakPolarHBondContact CD1-O 3.25Å; F456-T460 WeakPolarHBondContact O-CB 3.33Å; F456-T460 PolarHBondContact O-N 3.22Å; F456-T460 PolarHBondContact O-OG1 3.4Å; F457-T460 WeakPolarHBondContact O-CA 3.23Å; F457-T460 WeakPolarHBondContact O-CB 3.32Å; F457-T460 PolarHBondContact O-N 3.06Å; L458-T460 VanDerWaalsContact C-N 3.33Å; L458-T460 PolarHBondContact O-N 3.4Å; T460-S464 WeakPolarHBondContact O-CB 3.39Å; T460-S464 PolarHBondContact O-N 2.7Å; T460-S464 PolarHBondContact O-OG 3Å
461C91.3Very high85.2Confident1 Ų135.6 Ų35.61%0.00717%0.168CC..Hα-helixtrans-57.1-55.5172.6-73.90000111.7L216 I223 F457 L458 T465L216-C461 HydrophobicContact CD1-CB 3.92Å; I223-C461 VanDerWaalsContact CD1-CA 3.49Å; I223-C461 HydrophobicContact CD1-CB 4.44Å; F457-C461 VanDerWaalsContact CE1-SG 3.55Å; F457-C461 VanDerWaalsContact CZ-SG 3.52Å; F457-C461 PolarHBondContact O-N 3.31Å; L458-C461 WeakPolarHBondContact O-CB 3.37Å; L458-C461 PolarHBondContact O-N 3.44Å; C461-T465 VanDerWaalsContact O-CB 3.31Å; C461-T465 WeakPolarHBondContact O-CB 3.5Å; C461-T465 PolarHBondContact O-N 3.16Å; C461-T465 PolarHBondContact O-OG1 3.32Å
462V90.4Very high83.1Confident0 Ų042.4 Ų42.40%020%0.198CC..Hα-helixtrans-71.1-51.5-174.2175.90000111.7L212 L215 L216 L458 C459 T465 V466 L498 L502L212-V462 HydrophobicContact CD1-CG1 4.32Å; L212-V462 HydrophobicContact CD1-CG2 3.54Å; L215-V462 HydrophobicContact CB-CG1 4.29Å; L215-V462 HydrophobicContact CD1-CG1 4.23Å; L216-V462 HydrophobicContact CB-CG2 4.22Å; L216-V462 HydrophobicContact CD1-CG2 4.12Å; L458-V462 WeakPolarHBondContact O-CG2 3.44Å; L458-V462 PolarHBondContact O-N 3.04Å; C459-V462 PolarHBondContact O-N 3.29Å; V462-T465 WeakPolarHBondContact O-CB 3.03Å; V462-T465 PolarHBondContact O-N 2.84Å; V462-V466 WeakPolarHBondContact O-CG2 3.31Å; V462-V466 PolarHBondContact O-N 2.83Å; V462-L498 HydrophobicContact CG1-CD1 3.81Å; V462-L502 HydrophobicContact CB-CD1 4.05Å; V462-L502 HydrophobicContact CG1-CD1 4.49Å; V462-L502 HydrophobicContact CG2-CD1 3.73Å
463Y88.9Confident81.2Confident13 Ų1343.1 Ų43.15%0.05120%0.204CC..Hα-helixtrans-70.5-38-174.4-59.2-24.7000112.6C45 F46 C459 T465 V466 F467 F495 T499C45-Y463 PolarHBondContact O-OH 2.8Å; F46-Y463 HydrophobicContact CD1-CD2 4.3Å; F46-Y463 HydrophobicContact CD1-CE2 4.1Å; F46-Y463 AromaticContact CE1-CD2 3.99Å; F46-Y463 HydrophobicContact CE1-CD2 3.99Å; F46-Y463 HydrophobicContact CE1-CE2 4.18Å; C459-Y463 HydrophobicContact CB-CD2 3.94Å; C459-Y463 HydrophobicContact CB-CE2 3.83Å; C459-Y463 WeakPolarHBondContact O-CB 3.27Å; C459-Y463 WeakPolarHBondContact O-CD2 3.5Å; C459-Y463 VanDerWaalsContact O-CG 3.29Å; C459-Y463 PolarHBondContact O-N 3.08Å; Y463-T465 VanDerWaalsContact C-N 3.26Å; Y463-T465 PolarHBondContact O-N 2.76Å; Y463-V466 WeakPolarHBondContact O-CB 3.47Å; Y463-V466 PolarHBondContact O-N 3.29Å; Y463-F467 WeakPolarHBondContact O-CD2 3.26Å; Y463-F467 PolarHBondContact O-N 2.94Å; Y463-F495 AromaticContact CD1-CD1 3.45Å; Y463-F495 HydrophobicContact CD1-CD1 3.45Å; Y463-F495 VanDerWaalsContact CD1-CD1 3.45Å; Y463-F495 AromaticContact CD1-CE1 3.49Å; Y463-F495 HydrophobicContact CD1-CE1 3.49Å; Y463-F495 VanDerWaalsContact CD1-CE1 3.49Å; Y463-F495 HydrophobicContact CD1-CG 4.29Å; Y463-F495 HydrophobicContact CD1-CZ 4.36Å; Y463-F495 HydrophobicContact CE1-CB 4.49Å; Y463-F495 AromaticContact CE1-CD1 3.74Å; Y463-F495 HydrophobicContact CE1-CD1 3.74Å; Y463-F495 HydrophobicContact CE1-CE1 4.24Å; Y463-F495 HydrophobicContact CE1-CG 4.26Å; Y463-F495 HydrophobicContact CG-CD1 4.2Å; Y463-F495 AromaticContact CG-CE1 3.87Å; Y463-F495 HydrophobicContact CG-CE1 3.87Å; Y463-F495 HydrophobicContact CG-CZ 4.35Å; Y463-T499 PolarHBondContact OH-OG1 3.22Å
464S85.3Confident79.4Confident28 Ų2847.4 Ų47.420%0.19622%0.216CC..Hα-helixtrans-67.1-32.2175.2107.30000111.9I223 T460 F467 R468I223-S464 WeakPolarHBondContact CD1-OG 3.31Å; I223-S464 WeakPolarHBondContact CG1-OG 3.23Å; T460-S464 WeakPolarHBondContact O-CB 3.39Å; T460-S464 PolarHBondContact O-N 2.7Å; T460-S464 PolarHBondContact O-OG 3Å; S464-F467 PolarHBondContact O-N 2.91Å; S464-R468 WeakPolarHBondContact O-CB 3.35Å; S464-R468 VanDerWaalsContact O-CG 3.26Å; S464-R468 WeakPolarHBondContact O-CG 3.13Å; S464-R468 PolarHBondContact O-N 3.14Å; S464-R468 VanDerWaalsContact O-N 3.07Å
465T84.6Confident78Confident1 Ų147.5 Ų47.51%0.00622%0.216CC..Hα-helixtrans-65.1-44.2173.2-56.10000110.8L215 Y218 G219 C461 V462 Y463 F467 R468 I469L215-T465 HydrophobicContact CB-CG2 4.48Å; L215-T465 HydrophobicContact CD2-CG2 3.82Å; Y218-T465 HydrophobicContact CD1-CG2 3.28Å; Y218-T465 HydrophobicContact CE1-CG2 3.87Å; Y218-T465 HydrophobicContact CG-CG2 4.09Å; G219-T465 VanDerWaalsContact CA-OG1 3.26Å; G219-T465 WeakPolarHBondContact CA-OG1 3.48Å; C461-T465 VanDerWaalsContact O-CB 3.31Å; C461-T465 WeakPolarHBondContact O-CB 3.5Å; C461-T465 PolarHBondContact O-N 3.16Å; C461-T465 PolarHBondContact O-OG1 3.32Å; V462-T465 WeakPolarHBondContact O-CB 3.03Å; V462-T465 PolarHBondContact O-N 2.84Å; Y463-T465 VanDerWaalsContact C-N 3.26Å; Y463-T465 PolarHBondContact O-N 2.76Å; T465-F467 VanDerWaalsContact C-N 3.28Å; T465-F467 PolarHBondContact O-N 2.82Å; T465-R468 PolarHBondContact O-N 3.44Å; T465-I469 HydrophobicContact CG2-CD1 3.64Å; T465-I469 HydrophobicContact CG2-CG1 4.02Å; T465-I469 VanDerWaalsContact O-CG1 3.28Å; T465-I469 WeakPolarHBondContact O-CG1 3.41Å; T465-I469 PolarHBondContact O-N 2.92Å
466V83.2Confident76.7Confident1 Ų150 Ų501%0.00623%0.226CC..Hα-helixtrans-59.1-35.8172.8168.70000112.5L215 V462 Y463 R468 Y475 L494 F495 L498L215-V466 HydrophobicContact CD1-CG2 3.76Å; L215-V466 HydrophobicContact CD2-CG2 4.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.31Å; V462-V466 PolarHBondContact O-N 2.83Å; Y463-V466 WeakPolarHBondContact O-CB 3.47Å; Y463-V466 PolarHBondContact O-N 3.29Å; V466-R468 VanDerWaalsContact C-N 3.32Å; V466-Y475 VanDerWaalsContact CG1-OH 3.23Å; V466-Y475 WeakPolarHBondContact CG1-OH 3.27Å; V466-Y475 WeakPolarHBondContact O-CE1 3.31Å; V466-Y475 PolarHBondContact O-OH 3.28Å; V466-L494 HydrophobicContact CB-CD2 4.31Å; V466-L494 HydrophobicContact CG1-CD2 3.71Å; V466-L494 HydrophobicContact CG1-CG 4.41Å; V466-L494 HydrophobicContact CG2-CD2 3.69Å; V466-L494 HydrophobicContact CG2-CG 4.2Å; V466-F495 HydrophobicContact CB-CE1 3.78Å; V466-F495 HydrophobicContact CG1-CD1 4.19Å; V466-F495 HydrophobicContact CG1-CE1 3.48Å; V466-F495 VanDerWaalsContact CG1-CE1 3.48Å; V466-F495 HydrophobicContact CG1-CZ 4.1Å; V466-F495 HydrophobicContact CG2-CE1 4.25Å; V466-L498 HydrophobicContact CG2-CD1 3.9Å
467F74.8Confident75.4Confident41 Ų4145.1 Ų45.118%0.1821%0.205CC..Hα-helixtrans-73.5-23175.3-71-58.4000113.5W42 Y463 S464 T465 L477 F495W42-F467 HydrophobicContact CH2-CE1 4.49Å; W42-F467 HydrophobicContact CZ2-CE1 4.31Å; Y463-F467 WeakPolarHBondContact O-CD2 3.26Å; Y463-F467 PolarHBondContact O-N 2.94Å; S464-F467 PolarHBondContact O-N 2.91Å; T465-F467 VanDerWaalsContact C-N 3.28Å; T465-F467 PolarHBondContact O-N 2.82Å; F467-L477 HydrophobicContact CD1-CB 4.29Å; F467-L477 HydrophobicContact CD1-CD1 4.22Å; F467-L477 HydrophobicContact CD1-CD2 3.61Å; F467-L477 HydrophobicContact CD1-CG 4.23Å; F467-L477 HydrophobicContact CE1-CD2 3.47Å; F467-L477 VanDerWaalsContact CE1-CD2 3.47Å; F467-F495 HydrophobicContact CD2-CZ 4.42Å; F467-F495 HydrophobicContact CE1-CE2 4.26Å; F467-F495 AromaticContact CE1-CZ 3.91Å; F467-F495 HydrophobicContact CE1-CZ 3.91Å; F467-F495 HydrophobicContact CE2-CE2 4.37Å; F467-F495 AromaticContact CE2-CZ 3.74Å; F467-F495 HydrophobicContact CE2-CZ 3.74Å; F467-F495 AromaticContact CZ-CE2 3.75Å; F467-F495 HydrophobicContact CZ-CE2 3.75Å; F467-F495 AromaticContact CZ-CZ 3.46Å; F467-F495 HydrophobicContact CZ-CZ 3.46Å; F467-F495 VanDerWaalsContact CZ-CZ 3.46Å
468R70.2Confident74.2Confident102 Ų10244.5 Ų44.539%0.38520%0.202SC..Hα-helixtrans-94.1-30.9-176.3-74.4175.1179.8-141.5-0.4114S226 S464 T465 V466 R470S226-R468 PolarHBondContact OG-NH1 3.07Å; S226-R468 PolarHBondContact OG-NH2 3.03Å; S464-R468 WeakPolarHBondContact O-CB 3.35Å; S464-R468 VanDerWaalsContact O-CG 3.26Å; S464-R468 WeakPolarHBondContact O-CG 3.13Å; S464-R468 PolarHBondContact O-N 3.14Å; S464-R468 VanDerWaalsContact O-N 3.07Å; T465-R468 PolarHBondContact O-N 3.44Å; V466-R468 VanDerWaalsContact C-N 3.32Å; R468-R470 PolarHBondContact O-N 2.89Å
469I67.4Low73.1Confident56 Ų5646.2 Ų46.229%0.28721%0.214SC..  trans-64.1124.7-176.2-71.2168.2000110.2L215 T465 V471L215-I469 HydrophobicContact CD2-CD1 3.17Å; T465-I469 HydrophobicContact CG2-CD1 3.64Å; T465-I469 HydrophobicContact CG2-CG1 4.02Å; T465-I469 VanDerWaalsContact O-CG1 3.28Å; T465-I469 WeakPolarHBondContact O-CG1 3.41Å; T465-I469 PolarHBondContact O-N 2.92Å; I469-V471 HydrophobicContact CG2-CG2 3.37Å
470R63.6Low72.5Confident120 Ų12051.2 Ų51.245%0.45324%0.237SC..  trans-97.192166.3-67.4-177.8178.8-167.1-1.7108.7E250 R468 F472 Y476E250-R470 IonicContact OE1-NH1 3.54Å; R468-R470 PolarHBondContact O-N 2.89Å; R470-F472 PolarHBondContact O-N 3.37Å; R470-Y476 HydrophobicContact CG-CD2 4.03Å
471V57.2Low71.8Confident62 Ų6251.8 Ų51.838%0.37624%0.236SC..BIsolated β-bridgetrans-79.3106.1173.9-176.60000108.6I469 N473 Y474I469-V471 HydrophobicContact CG2-CG2 3.37Å; V471-N473 PolarHBondContact O-N 3.04Å; V471-Y474 PolarHBondContact O-N 3.28Å
472F47.5Very low71.1Confident143 Ų14353.5 Ų53.563%0.62724%0.244SC*.THydrogen-bonded Turntrans46.234.6171.1-63.1-70.6000114.9R470 Y474 F575R470-F472 PolarHBondContact O-N 3.37Å; F472-Y474 HydrophobicContact CB-CD2 3.77Å; F472-Y474 HydrophobicContact CB-CE2 4.15Å; F472-Y474 WeakPolarHBondContact O-CD2 3.41Å; F472-Y474 PolarHBondContact O-N 3.02Å; F472-F575 AromaticContact CD1-CZ 3.87Å; F472-F575 HydrophobicContact CD1-CZ 3.87Å; F472-F575 HydrophobicContact CE1-CZ 4.08Å
473N52.8Low70.5Confident66 Ų6653.7 Ų53.735%0.35325%0.245SC..THydrogen-bonded Turntrans58.92.5-175.3-65.8-32.8000117V471V471-N473 PolarHBondContact O-N 3.04Å
474Y55.2Low70.1Confident178 Ų17854.7 Ų54.770%0.69825%0.251SS*.THydrogen-bonded Turntrans-82.3-27.8177.6-71.8-76.3000113V471 F472V471-Y474 PolarHBondContact O-N 3.28Å; F472-Y474 HydrophobicContact CB-CD2 3.77Å; F472-Y474 HydrophobicContact CB-CE2 4.15Å; F472-Y474 WeakPolarHBondContact O-CD2 3.41Å; F472-Y474 PolarHBondContact O-N 3.02Å
475Y62.9Low70Confident6 Ų654 Ų542%0.02425%0.247CC..BIsolated β-bridgetrans-126.9123.7-178.7171.4-103.5000110.7V466 L477 S487 F490 S491V466-Y475 VanDerWaalsContact CG1-OH 3.23Å; V466-Y475 WeakPolarHBondContact CG1-OH 3.27Å; V466-Y475 WeakPolarHBondContact O-CE1 3.31Å; V466-Y475 PolarHBondContact O-OH 3.28Å; Y475-L477 HydrophobicContact CE1-CD1 4.48Å; Y475-L477 HydrophobicContact CE2-CD1 3.5Å; Y475-L477 VanDerWaalsContact CE2-CD1 3.5Å; Y475-L477 VanDerWaalsContact CZ-CD1 3.48Å; Y475-L477 WeakPolarHBondContact OH-CD1 3.44Å; Y475-S487 WeakPolarHBondContact CE2-O 3.38Å; Y475-F490 HydrophobicContact CD1-CD1 4.26Å; Y475-F490 HydrophobicContact CD1-CE1 4.23Å; Y475-F490 HydrophobicContact CD2-CB 3.88Å; Y475-F490 AromaticContact CD2-CD1 3.19Å; Y475-F490 HydrophobicContact CD2-CD1 3.19Å; Y475-F490 AromaticContact CD2-CE1 3.94Å; Y475-F490 HydrophobicContact CD2-CE1 3.94Å; Y475-F490 AromaticContact CD2-CG 3.82Å; Y475-F490 HydrophobicContact CD2-CG 3.82Å; Y475-F490 HydrophobicContact CE1-CD1 4.41Å; Y475-F490 HydrophobicContact CE1-CE1 4.5Å; Y475-F490 HydrophobicContact CE2-CB 4.11Å; Y475-F490 AromaticContact CE2-CD1 3.4Å; Y475-F490 HydrophobicContact CE2-CD1 3.4Å; Y475-F490 HydrophobicContact CE2-CE1 4.24Å; Y475-F490 HydrophobicContact CE2-CG 4.19Å; Y475-F490 AromaticContact CG-CD1 3.65Å; Y475-F490 HydrophobicContact CG-CD1 3.65Å; Y475-F490 AromaticContact CG-CE1 3.91Å; Y475-F490 HydrophobicContact CG-CE1 3.91Å; Y475-F490 HydrophobicContact CG-CG 4.47Å; Y475-S491 WeakPolarHBondContact OH-CB 3.47Å
476Y67.8Low69.9Low52 Ų5256.6 Ų56.620%0.20426%0.257CS..  trans-163.5133.1174.3172.4-101.9000110.5Q340 R470 A478 S487Q340-Y476 VanDerWaalsContact NE2-CZ 3.34Å; Q340-Y476 PolarHBondContact NE2-OH 3.27Å; R470-Y476 HydrophobicContact CG-CD2 4.03Å; Y476-A478 HydrophobicContact CD1-CB 4.06Å; Y476-A478 HydrophobicContact CE1-CB 3.55Å; Y476-S487 PolarHBondContact N-OG 3.22Å; Y476-S487 WeakPolarHBondContact O-CB 3.17Å; Y476-S487 PolarHBondContact O-OG 3.41Å
477L67.4Low70Confident8 Ų856.8 Ų56.84%0.04226%0.258CS..PPolyproline II helixtrans-93.9116.8170.8-85.487.8000111Y24 W42 F467 Y475 T483Y24-L477 HydrophobicContact CD1-CB 4.04Å; Y24-L477 HydrophobicContact CD1-CD2 4.01Å; Y24-L477 HydrophobicContact CE1-CB 4.2Å; Y24-L477 HydrophobicContact CE1-CD2 4.48Å; Y24-L477 HydrophobicContact CG-CD2 4.04Å; W42-L477 HydrophobicContact CH2-CD2 4.16Å; W42-L477 HydrophobicContact CZ2-CD2 4.05Å; F467-L477 HydrophobicContact CD1-CB 4.29Å; F467-L477 HydrophobicContact CD1-CD1 4.22Å; F467-L477 HydrophobicContact CD1-CD2 3.61Å; F467-L477 HydrophobicContact CD1-CG 4.23Å; F467-L477 HydrophobicContact CE1-CD2 3.47Å; F467-L477 VanDerWaalsContact CE1-CD2 3.47Å; Y475-L477 HydrophobicContact CE1-CD1 4.48Å; Y475-L477 HydrophobicContact CE2-CD1 3.5Å; Y475-L477 VanDerWaalsContact CE2-CD1 3.5Å; Y475-L477 VanDerWaalsContact CZ-CD1 3.48Å; Y475-L477 WeakPolarHBondContact OH-CD1 3.44Å; L477-T483 HydrophobicContact CD2-CG2 4.44Å; L477-T483 HydrophobicContact CG-CG2 3.89Å
478A68.2Low70.6Confident1 Ų154.8 Ų54.81%0.00825%0.25CC..PPolyproline II helixtrans-99.1126.117600000109.7R336 Y476 Q482 T483R336-A478 HydrophobicContact CG-CB 4.2Å; Y476-A478 HydrophobicContact CD1-CB 4.06Å; Y476-A478 HydrophobicContact CE1-CB 3.55Å; A478-Q482 HydrophobicContact CB-CB 3.81Å; A478-T483 PolarHBondContact N-OG1 3.17Å; A478-T483 PolarHBondContact O-N 2.99Å; A478-T483 PolarHBondContact O-OG1 3.45Å
479S72.1Confident71.5Confident37 Ų3750 Ų5026%0.25923%0.231SC..THydrogen-bonded Turntrans-64.5170.9169.450.40000111.8
480H79.1Confident72.5Confident110 Ų11049.9 Ų49.951%0.50923%0.229SC..THydrogen-bonded Turntrans65.341178.6-57.9-92.3000113.8R23 V339 I343 Q482R23-H480 PolarHBondContact O-N 3.12Å; R23-H480 VanDerWaalsContact O-N 3.17Å; V339-H480 HydrophobicContact CG1-CB 4.35Å; I343-H480 HydrophobicContact CD1-CB 4.35Å; I343-H480 WeakPolarHBondContact CD1-CD2 3.49Å; H480-Q482 WeakPolarHBondContact O-CG 3.43Å; H480-Q482 PolarHBondContact O-N 3.27Å; H480-Q482 VanDerWaalsContact O-N 3.16Å; H480-Q482 PolarHBondContact O-NE2 3.42Å; H480-Q482 VanDerWaalsContact O-NE2 3.12Å
481H78.1Confident73.7Confident62 Ų6244.2 Ų44.229%0.28721%0.208SC..THydrogen-bonded Turntrans63.622172.3-46.5174.1000113.5H22 R23 Y24 D26H22-H481 AromaticContact CE1-CE1 3.57Å; H22-H481 AromaticContact CE1-NE2 3.49Å; H22-H481 PolarHBondContact CE1-NE2 2.9Å; H22-H481 AromaticContact ND1-NE2 3.67Å; H22-H481 AromaticContact NE2-CE1 3.74Å; H22-H481 AromaticContact NE2-NE2 3.98Å; H22-H481 PolarHBondContact O-CD2 3.34Å; H22-H481 PolarHBondContact O-NE2 3.46Å; R23-H481 PolarHBondContact O-N 3.38Å; Y24-H481 CarbonylContact O-C 3.57Å; Y24-H481 WeakPolarHBondContact O-CA 3.16Å; D26-H481 HydrophobicContact CB-CB 3.88Å
482Q75.8Confident75.2Confident37 Ų3741.2 Ų41.217%0.17319%0.19CC..THydrogen-bonded Turntrans-100.23.7179.9-57.4-52.5-4800113.3R336 V339 A478 H480R336-Q482 HydrophobicContact CG-CB 4.19Å; V339-Q482 HydrophobicContact CB-CG 3.86Å; V339-Q482 HydrophobicContact CG1-CG 3.71Å; V339-Q482 HydrophobicContact CG2-CG 4.1Å; A478-Q482 HydrophobicContact CB-CB 3.81Å; H480-Q482 WeakPolarHBondContact O-CG 3.43Å; H480-Q482 PolarHBondContact O-N 3.27Å; H480-Q482 VanDerWaalsContact O-N 3.16Å; H480-Q482 PolarHBondContact O-NE2 3.42Å; H480-Q482 VanDerWaalsContact O-NE2 3.12Å
483T79.4Confident77.2Confident3 Ų335.1 Ų35.12%0.01816%0.163CC..  trans-69.8133.6176.8-61.30000109.9Y24 Q30 L477 A478 L488Y24-T483 WeakPolarHBondContact O-CB 3.31Å; Y24-T483 PolarHBondContact O-N 3.36Å; Y24-T483 PolarHBondContact O-OG1 3.14Å; Q30-T483 PolarHBondContact NE2-O 3.22Å; L477-T483 HydrophobicContact CD2-CG2 4.44Å; L477-T483 HydrophobicContact CG-CG2 3.89Å; A478-T483 PolarHBondContact N-OG1 3.17Å; A478-T483 PolarHBondContact O-N 2.99Å; A478-T483 PolarHBondContact O-OG1 3.45Å; T483-L488 HydrophobicContact CG2-CB 3.99Å; T483-L488 HydrophobicContact CG2-CD1 4.4Å
484D79.9Confident78.9Confident35 Ų3533.1 Ų33.119%0.18715%0.152CC..  trans-70.9148.2174.5-171.919.7000112.1Q332 Y486 S487 L488Q332-D484 PolarHBondContact NE2-OD1 3.01Å; Q332-D484 PolarHBondContact OE1-OD1 2.98Å; D484-Y486 PolarHBondContact O-N 3.5Å; D484-Y486 WeakPolarHBondContact OD2-CB 3.3Å; D484-S487 PolarHBondContact O-N 3.28Å; D484-S487 VanDerWaalsContact O-N 3.15Å; D484-L488 WeakPolarHBondContact O-CB 3.26Å; D484-L488 PolarHBondContact O-N 3.48Å
485A83.1Confident80.6Confident13 Ų1324.6 Ų24.611%0.10712%0.119CC..Hα-helixtrans-52.1-41174.200000111.5V34 A144 L488 Q489V34-A485 HydrophobicContact CG1-CB 3.68Å; V34-A485 HydrophobicContact CG2-CB 4.22Å; A144-A485 HydrophobicContact CB-CB 3.97Å; A485-L488 PolarHBondContact O-N 3.07Å; A485-Q489 WeakPolarHBondContact O-CB 3.34Å; A485-Q489 WeakPolarHBondContact O-CG 3.44Å; A485-Q489 PolarHBondContact O-N 3.29Å; A485-Q489 PolarHBondContact O-OE1 2.95Å
486Y83.2Confident81.9Confident56 Ų5624.3 Ų24.322%0.2212%0.118CC..Hα-helixtrans-61.3-52.3176.8179-98000112.4Q141 D484 L488 Q489 F490Q141-Y486 HydrophobicContact CB-CD2 4Å; Q141-Y486 HydrophobicContact CB-CE2 4.21Å; Q141-Y486 HydrophobicContact CG-CD2 4.01Å; Q141-Y486 HydrophobicContact CG-CE2 4.26Å; Q141-Y486 PolarHBondContact NE2-O 2.8Å; D484-Y486 PolarHBondContact O-N 3.5Å; D484-Y486 WeakPolarHBondContact OD2-CB 3.3Å; Y486-L488 VanDerWaalsContact C-N 3.31Å; Y486-L488 PolarHBondContact O-N 3.41Å; Y486-Q489 PolarHBondContact O-N 3.26Å; Y486-F490 VanDerWaalsContact O-CB 3.31Å; Y486-F490 WeakPolarHBondContact O-CB 3.21Å; Y486-F490 PolarHBondContact O-N 2.75Å
487S84.9Confident82.9Confident4 Ų423.7 Ų23.73%0.02812%0.115CC..Hα-helixtrans-64-38.5-179.9-72.10000111.6Y475 Y476 D484 F490 S491Y475-S487 WeakPolarHBondContact CE2-O 3.38Å; Y476-S487 PolarHBondContact N-OG 3.22Å; Y476-S487 WeakPolarHBondContact O-CB 3.17Å; Y476-S487 PolarHBondContact O-OG 3.41Å; D484-S487 PolarHBondContact O-N 3.28Å; D484-S487 VanDerWaalsContact O-N 3.15Å; S487-F490 PolarHBondContact O-N 3.17Å; S487-S491 PolarHBondContact O-N 3.37Å
488L87.3Confident83.8Confident0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-61.9-49.7177.6-172.368.8000111.2L21 Q30 V34 L35 T38 W42 T483 D484 A485 Y486 F490 S491 G492L21-L488 HydrophobicContact CD1-CD1 3.86Å; L21-L488 HydrophobicContact CD1-CD2 3.68Å; L21-L488 HydrophobicContact CD1-CG 4.18Å; Q30-L488 VanDerWaalsContact OE1-CD2 3.28Å; V34-L488 HydrophobicContact CG1-CD2 4.36Å; L35-L488 HydrophobicContact CD2-CD2 4.41Å; T38-L488 HydrophobicContact CG2-CD1 3.75Å; T38-L488 HydrophobicContact CG2-CD2 4.15Å; T38-L488 HydrophobicContact CG2-CG 3.52Å; W42-L488 HydrophobicContact CH2-CD1 3.71Å; W42-L488 HydrophobicContact CZ2-CD1 3.63Å; T483-L488 HydrophobicContact CG2-CB 3.99Å; T483-L488 HydrophobicContact CG2-CD1 4.4Å; D484-L488 WeakPolarHBondContact O-CB 3.26Å; D484-L488 PolarHBondContact O-N 3.48Å; A485-L488 PolarHBondContact O-N 3.07Å; Y486-L488 VanDerWaalsContact C-N 3.31Å; Y486-L488 PolarHBondContact O-N 3.41Å; L488-F490 VanDerWaalsContact C-N 3.33Å; L488-F490 PolarHBondContact O-N 3.46Å; L488-S491 PolarHBondContact O-N 2.7Å; L488-S491 PolarHBondContact O-OG 2.89Å; L488-G492 PolarHBondContact O-N 3.31Å
489Q89.1Confident84.8Confident0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-67.5-34177.1-71.3168.1-34.600112.9V34 L137 M140 Q141 A485 Y486 S491 G492 M493V34-Q489 HydrophobicContact CG1-CG 3.82Å; V34-Q489 VanDerWaalsContact CG2-NE2 3.35Å; L137-Q489 HydrophobicContact CD2-CB 4.44Å; L137-Q489 HydrophobicContact CD2-CG 4.35Å; M140-Q489 PolarHBondContact O-OE1 3.31Å; Q141-Q489 HydrophobicContact CG-CB 3.56Å; Q141-Q489 HydrophobicContact CG-CG 4.44Å; A485-Q489 WeakPolarHBondContact O-CB 3.34Å; A485-Q489 WeakPolarHBondContact O-CG 3.44Å; A485-Q489 PolarHBondContact O-N 3.29Å; A485-Q489 PolarHBondContact O-OE1 2.95Å; Y486-Q489 PolarHBondContact O-N 3.26Å; Q489-S491 VanDerWaalsContact C-N 3.31Å; Q489-S491 PolarHBondContact O-N 3.5Å; Q489-G492 PolarHBondContact O-N 3.11Å; Q489-M493 WeakPolarHBondContact O-CB 3.47Å; Q489-M493 PolarHBondContact O-N 3.42Å
490F87.6Confident85.5Confident55 Ų5522.1 Ų22.124%0.24110%0.104CC..Hα-helixtrans-62.9-41.6176.2-174.2-89000110.8Q141 Y475 Y486 S487 L488 G492 M493 L494Q141-F490 VanDerWaalsContact NE2-CB 3.31Å; Y475-F490 HydrophobicContact CD1-CD1 4.26Å; Y475-F490 HydrophobicContact CD1-CE1 4.23Å; Y475-F490 HydrophobicContact CD2-CB 3.88Å; Y475-F490 AromaticContact CD2-CD1 3.19Å; Y475-F490 HydrophobicContact CD2-CD1 3.19Å; Y475-F490 AromaticContact CD2-CE1 3.94Å; Y475-F490 HydrophobicContact CD2-CE1 3.94Å; Y475-F490 AromaticContact CD2-CG 3.82Å; Y475-F490 HydrophobicContact CD2-CG 3.82Å; Y475-F490 HydrophobicContact CE1-CD1 4.41Å; Y475-F490 HydrophobicContact CE1-CE1 4.5Å; Y475-F490 HydrophobicContact CE2-CB 4.11Å; Y475-F490 AromaticContact CE2-CD1 3.4Å; Y475-F490 HydrophobicContact CE2-CD1 3.4Å; Y475-F490 HydrophobicContact CE2-CE1 4.24Å; Y475-F490 HydrophobicContact CE2-CG 4.19Å; Y475-F490 AromaticContact CG-CD1 3.65Å; Y475-F490 HydrophobicContact CG-CD1 3.65Å; Y475-F490 AromaticContact CG-CE1 3.91Å; Y475-F490 HydrophobicContact CG-CE1 3.91Å; Y475-F490 HydrophobicContact CG-CG 4.47Å; Y486-F490 VanDerWaalsContact O-CB 3.31Å; Y486-F490 WeakPolarHBondContact O-CB 3.21Å; Y486-F490 PolarHBondContact O-N 2.75Å; S487-F490 PolarHBondContact O-N 3.17Å; L488-F490 VanDerWaalsContact C-N 3.33Å; L488-F490 PolarHBondContact O-N 3.46Å; F490-G492 PolarHBondContact O-N 2.98Å; F490-M493 PolarHBondContact O-N 3.5Å; F490-L494 HydrophobicContact CE1-CD2 4.23Å; F490-L494 WeakPolarHBondContact O-CB 3.34Å; F490-L494 PolarHBondContact O-N 3.21Å
491S88.5Confident85.7Confident0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-62.5-42.6174.374.10000112.1W42 Y475 S487 L488 Q489 M493 L494 F495W42-S491 WeakPolarHBondContact CZ2-OG 3.44Å; W42-S491 PolarHBondContact NE1-OG 3.01Å; Y475-S491 WeakPolarHBondContact OH-CB 3.47Å; S487-S491 PolarHBondContact O-N 3.37Å; L488-S491 PolarHBondContact O-N 2.7Å; L488-S491 PolarHBondContact O-OG 2.89Å; Q489-S491 VanDerWaalsContact C-N 3.31Å; Q489-S491 PolarHBondContact O-N 3.5Å; S491-M493 VanDerWaalsContact C-N 3.34Å; S491-M493 PolarHBondContact O-N 3.42Å; S491-L494 PolarHBondContact O-N 2.99Å; S491-F495 VanDerWaalsContact O-CG 3.27Å; S491-F495 WeakPolarHBondContact O-CG 3.42Å; S491-F495 PolarHBondContact O-N 3.26Å
492G90.1Very high86.2Confident0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-61.8-41.8175.700000112.5L488 Q489 F490 F495 C496L488-G492 PolarHBondContact O-N 3.31Å; Q489-G492 PolarHBondContact O-N 3.11Å; F490-G492 PolarHBondContact O-N 2.98Å; G492-F495 PolarHBondContact O-N 3.41Å; G492-C496 PolarHBondContact O-N 3.23Å; G492-C496 PolarHBondContact O-SG 3.3Å
493M89.8Confident86.7Confident15 Ų1512.2 Ų12.27%0.0746%0.059CC..Hα-helixtrans-64.6-41.9177.2179.2-177.3179.400111.1T133 L137 P138 Q489 F490 S491 R497T133-M493 HydrophobicContact CG2-CG 4.19Å; L137-M493 HydrophobicContact CB-CB 4.28Å; L137-M493 HydrophobicContact CD1-CB 3.98Å; L137-M493 VanDerWaalsContact CD1-N 3.35Å; P138-M493 HydrophobicContact CG-CE 3.92Å; P138-M493 HydrophobicContact CG-SD 4.05Å; Q489-M493 WeakPolarHBondContact O-CB 3.47Å; Q489-M493 PolarHBondContact O-N 3.42Å; F490-M493 PolarHBondContact O-N 3.5Å; S491-M493 VanDerWaalsContact C-N 3.34Å; S491-M493 PolarHBondContact O-N 3.42Å; M493-R497 WeakPolarHBondContact O-CB 3.33Å; M493-R497 PolarHBondContact O-N 3.02Å; M493-R497 VanDerWaalsContact O-N 3.09Å
494L88.3Confident86.9Confident23 Ų2313 Ų1312%0.126%0.063CC..Hα-helixtrans-68.5-41.1178.7-171.657.4000111.6L211 V466 F490 S491 R497 L498L211-L494 HydrophobicContact CD1-CD1 4.1Å; V466-L494 HydrophobicContact CB-CD2 4.31Å; V466-L494 HydrophobicContact CG1-CD2 3.71Å; V466-L494 HydrophobicContact CG1-CG 4.41Å; V466-L494 HydrophobicContact CG2-CD2 3.69Å; V466-L494 HydrophobicContact CG2-CG 4.2Å; F490-L494 HydrophobicContact CE1-CD2 4.23Å; F490-L494 WeakPolarHBondContact O-CB 3.34Å; F490-L494 PolarHBondContact O-N 3.21Å; S491-L494 PolarHBondContact O-N 2.99Å; L494-R497 PolarHBondContact O-N 3.22Å; L494-L498 HydrophobicContact CD1-CD1 3.87Å; L494-L498 HydrophobicContact CD1-CG 4.11Å; L494-L498 HydrophobicContact CD2-CD1 4.47Å; L494-L498 HydrophobicContact CG-CD1 3.69Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CD1 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.36Å; L494-L498 PolarHBondContact O-N 2.84Å
495F89.8Confident87.1Confident0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-61.9-49.7174.3-66.4-21.3000112W42 C45 Y463 V466 F467 S491 G492 R497 L498 T499W42-F495 AromaticContact CD1-CD2 3.48Å; W42-F495 VanDerWaalsContact CD1-CD2 3.48Å; W42-F495 AromaticContact CD1-CE2 3.85Å; W42-F495 HydrophobicContact CG-CD2 4.26Å; W42-F495 HydrophobicContact CG-CE2 4.41Å; W42-F495 AromaticContact NE1-CD2 3.6Å; W42-F495 AromaticContact NE1-CE2 3.6Å; C45-F495 HydrophobicContact CB-CB 4.01Å; C45-F495 VanDerWaalsContact SG-CB 3.55Å; Y463-F495 AromaticContact CD1-CD1 3.45Å; Y463-F495 HydrophobicContact CD1-CD1 3.45Å; Y463-F495 VanDerWaalsContact CD1-CD1 3.45Å; Y463-F495 AromaticContact CD1-CE1 3.49Å; Y463-F495 HydrophobicContact CD1-CE1 3.49Å; Y463-F495 VanDerWaalsContact CD1-CE1 3.49Å; Y463-F495 HydrophobicContact CD1-CG 4.29Å; Y463-F495 HydrophobicContact CD1-CZ 4.36Å; Y463-F495 HydrophobicContact CE1-CB 4.49Å; Y463-F495 AromaticContact CE1-CD1 3.74Å; Y463-F495 HydrophobicContact CE1-CD1 3.74Å; Y463-F495 HydrophobicContact CE1-CE1 4.24Å; Y463-F495 HydrophobicContact CE1-CG 4.26Å; Y463-F495 HydrophobicContact CG-CD1 4.2Å; Y463-F495 AromaticContact CG-CE1 3.87Å; Y463-F495 HydrophobicContact CG-CE1 3.87Å; Y463-F495 HydrophobicContact CG-CZ 4.35Å; V466-F495 HydrophobicContact CB-CE1 3.78Å; V466-F495 HydrophobicContact CG1-CD1 4.19Å; V466-F495 HydrophobicContact CG1-CE1 3.48Å; V466-F495 VanDerWaalsContact CG1-CE1 3.48Å; V466-F495 HydrophobicContact CG1-CZ 4.1Å; V466-F495 HydrophobicContact CG2-CE1 4.25Å; F467-F495 HydrophobicContact CD2-CZ 4.42Å; F467-F495 HydrophobicContact CE1-CE2 4.26Å; F467-F495 AromaticContact CE1-CZ 3.91Å; F467-F495 HydrophobicContact CE1-CZ 3.91Å; F467-F495 HydrophobicContact CE2-CE2 4.37Å; F467-F495 AromaticContact CE2-CZ 3.74Å; F467-F495 HydrophobicContact CE2-CZ 3.74Å; F467-F495 AromaticContact CZ-CE2 3.75Å; F467-F495 HydrophobicContact CZ-CE2 3.75Å; F467-F495 AromaticContact CZ-CZ 3.46Å; F467-F495 HydrophobicContact CZ-CZ 3.46Å; F467-F495 VanDerWaalsContact CZ-CZ 3.46Å; S491-F495 VanDerWaalsContact O-CG 3.27Å; S491-F495 WeakPolarHBondContact O-CG 3.42Å; S491-F495 PolarHBondContact O-N 3.26Å; G492-F495 PolarHBondContact O-N 3.41Å; F495-R497 PolarHBondContact O-N 3.2Å; F495-L498 PolarHBondContact O-N 2.04Å; F495-L498 VanDerWaalsContact O-N 3.11Å; F495-T499 PolarHBondContact O-N 3.21Å; F495-T499 PolarHBondContact O-OG1 3.38Å
496C90.1Very high87.3Confident0 Ų011.4 Ų11.40%05%0.052CC..Hα-helixtrans-59.8-32.1178-72.70000112.6A41 C45 T133 G492 P500A41-C496 VanDerWaalsContact CB-SG 3.57Å; C45-C496 PolarHBondContact SG-N 3.47Å; T133-C496 WeakPolarHBondContact OG1-CB 3.44Å; G492-C496 PolarHBondContact O-N 3.23Å; G492-C496 PolarHBondContact O-SG 3.3Å; C496-P500 WeakPolarHBondContact O-CD 3.42Å
497R88.5Confident87.4Confident38 Ų388.8 Ų8.814%0.1434%0.042CC..Hα-helixtrans-74.6-35.8176.2-178.1179.1-71.7169.5-7.8113.5T133 M493 L494 F495 P501T133-R497 HydrophobicContact CG2-CB 4.08Å; M493-R497 WeakPolarHBondContact O-CB 3.33Å; M493-R497 PolarHBondContact O-N 3.02Å; M493-R497 VanDerWaalsContact O-N 3.09Å; L494-R497 PolarHBondContact O-N 3.22Å; F495-R497 PolarHBondContact O-N 3.2Å; R497-P501 WeakPolarHBondContact O-CD 3.43Å
498L88.1Confident87.2Confident0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-85.1-23.9-176.9-70.3168.6000113.2L211 L212 L215 V462 V466 L494 F495 P501 L502L211-L498 HydrophobicContact CB-CD2 3.82Å; L212-L498 HydrophobicContact CB-CD2 4.32Å; L215-L498 HydrophobicContact CD1-CD1 3.32Å; L215-L498 HydrophobicContact CD1-CD2 3.87Å; L215-L498 HydrophobicContact CD1-CG 4.24Å; V462-L498 HydrophobicContact CG1-CD1 3.81Å; V466-L498 HydrophobicContact CG2-CD1 3.9Å; L494-L498 HydrophobicContact CD1-CD1 3.87Å; L494-L498 HydrophobicContact CD1-CG 4.11Å; L494-L498 HydrophobicContact CD2-CD1 4.47Å; L494-L498 HydrophobicContact CG-CD1 3.69Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CD1 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.36Å; L494-L498 PolarHBondContact O-N 2.84Å; F495-L498 PolarHBondContact O-N 2.04Å; F495-L498 VanDerWaalsContact O-N 3.11Å; L498-P501 VanDerWaalsContact O-CD 3.23Å; L498-P501 WeakPolarHBondContact O-CD 3.31Å; L498-P501 VanDerWaalsContact O-CG 3.27Å; L498-P501 WeakPolarHBondContact O-CG 3.41Å; L498-L502 WeakPolarHBondContact O-CB 3.32Å; L498-L502 PolarHBondContact O-N 3.21Å
499T88.8Confident86.9Confident6 Ų69 Ų94%0.0375%0.045CC..Hα-helixtrans-56.2-47.8-179.7-67.90000112.3C45 I48 Y463 F495 L502 C503C45-T499 PolarHBondContact SG-OG1 3.34Å; I48-T499 HydrophobicContact CB-CG2 4.37Å; I48-T499 HydrophobicContact CD1-CG2 4.04Å; I48-T499 HydrophobicContact CG1-CG2 4.01Å; I48-T499 HydrophobicContact CG2-CG2 3.63Å; Y463-T499 PolarHBondContact OH-OG1 3.22Å; F495-T499 PolarHBondContact O-N 3.21Å; F495-T499 PolarHBondContact O-OG1 3.38Å; T499-L502 PolarHBondContact O-N 2.88Å; T499-C503 PolarHBondContact O-N 3.41Å; T499-C503 PolarHBondContact O-SG 2.88Å; T499-C503 VanDerWaalsContact O-SG 3.36Å
500P85.3Confident86.6Confident7 Ų79.1 Ų9.15%0.0455%0.045CC..Hα-helixtrans-61-53179.7-21.331.3000115.9C496 L502 C503 L504 Y526 M530C496-P500 WeakPolarHBondContact O-CD 3.42Å; P500-L502 VanDerWaalsContact C-N 3.25Å; P500-L502 PolarHBondContact O-N 3.45Å; P500-C503 PolarHBondContact O-N 3.32Å; P500-L504 PolarHBondContact O-N 3.41Å; P500-L504 VanDerWaalsContact O-N 3.15Å; P500-Y526 WeakPolarHBondContact CA-OH 3.07Å; P500-Y526 PolarHBondContact O-OH 2.92Å; P500-M530 HydrophobicContact CB-CE 3.21Å; P500-M530 HydrophobicContact CB-SD 3.62Å
501P83.9Confident86Confident2 Ų26.7 Ų6.71%0.0133%0.034CC..Hα-helixtrans-64.4-29.8177.524.8-33.8000112.8L209 L212 R497 L498 L504 N505L209-P501 HydrophobicContact CB-CB 3.96Å; L209-P501 HydrophobicContact CD1-CB 3.65Å; L209-P501 HydrophobicContact CG-CB 4.4Å; L212-P501 HydrophobicContact CB-CB 4.46Å; L212-P501 HydrophobicContact CD2-CB 4.02Å; L212-P501 WeakPolarHBondContact CD2-O 3.31Å; R497-P501 WeakPolarHBondContact O-CD 3.43Å; L498-P501 VanDerWaalsContact O-CD 3.23Å; L498-P501 WeakPolarHBondContact O-CD 3.31Å; L498-P501 VanDerWaalsContact O-CG 3.27Å; L498-P501 WeakPolarHBondContact O-CG 3.41Å; P501-L504 PolarHBondContact O-N 3.39Å; P501-N505 VanDerWaalsContact O-CB 3.28Å; P501-N505 WeakPolarHBondContact O-CB 3.08Å; P501-N505 PolarHBondContact O-N 3.42Å
502L88.1Confident84.9Confident0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-66.7-43.1176.3179.2125.7000111.9I48 L212 I455 L458 C459 V462 L498 T499 P500 N505 F506I48-L502 HydrophobicContact CD1-CD2 3.49Å; I48-L502 VanDerWaalsContact CD1-CD2 3.49Å; L212-L502 HydrophobicContact CD1-CB 4.13Å; L212-L502 HydrophobicContact CD1-CD1 4.03Å; L212-L502 HydrophobicContact CD2-CB 4.45Å; I455-L502 HydrophobicContact CD1-CD2 3.61Å; I455-L502 HydrophobicContact CD1-CG 4.39Å; L458-L502 HydrophobicContact CB-CD1 4.39Å; C459-L502 WeakPolarHBondContact SG-CD2 3.18Å; V462-L502 HydrophobicContact CB-CD1 4.05Å; V462-L502 HydrophobicContact CG1-CD1 4.49Å; V462-L502 HydrophobicContact CG2-CD1 3.73Å; L498-L502 WeakPolarHBondContact O-CB 3.32Å; L498-L502 PolarHBondContact O-N 3.21Å; T499-L502 PolarHBondContact O-N 2.88Å; P500-L502 VanDerWaalsContact C-N 3.25Å; P500-L502 PolarHBondContact O-N 3.45Å; L502-N505 PolarHBondContact O-N 3.43Å; L502-F506 PolarHBondContact O-N 2.9Å
503C88.1Confident83.5Confident0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-61.8-43.4173.5-67.20000111.7L52 T499 P500 F506 L507 Y526L52-C503 HydrophobicContact CD2-CB 3.97Å; T499-C503 PolarHBondContact O-N 3.41Å; T499-C503 PolarHBondContact O-SG 2.88Å; T499-C503 VanDerWaalsContact O-SG 3.36Å; P500-C503 PolarHBondContact O-N 3.32Å; C503-F506 PolarHBondContact O-N 3.01Å; C503-L507 VanDerWaalsContact O-CG 3.3Å; C503-L507 WeakPolarHBondContact O-CG 3.08Å; C503-L507 PolarHBondContact O-N 3.13Å; C503-Y526 HydrophobicContact CB-CD1 4.06Å; C503-Y526 HydrophobicContact CB-CE1 3.35Å; C503-Y526 HydrophobicContact CB-CE2 4.12Å; C503-Y526 WeakPolarHBondContact CB-OH 3.3Å
504L81.7Confident81.9Confident20 Ų208 Ų811%0.1054%0.044CC..Hα-helixtrans-64.1-42.5176.8-70.5179.9000112.4P500 P501 F506 L507 G508 Y526 M530 M533P500-L504 PolarHBondContact O-N 3.41Å; P500-L504 VanDerWaalsContact O-N 3.15Å; P501-L504 PolarHBondContact O-N 3.39Å; L504-F506 PolarHBondContact O-N 3.12Å; L504-L507 PolarHBondContact O-N 3.02Å; L504-G508 PolarHBondContact O-N 3.24Å; L504-Y526 HydrophobicContact CD2-CE1 4.09Å; L504-Y526 HydrophobicContact CG-CE1 4.32Å; L504-M530 HydrophobicContact CD1-CE 3.32Å; L504-M530 HydrophobicContact CD1-CG 4.3Å; L504-M530 HydrophobicContact CD1-SD 3.57Å; L504-M530 VanDerWaalsContact CD1-SD 3.57Å; L504-M530 HydrophobicContact CD2-SD 4.03Å; L504-M530 HydrophobicContact CG-CE 3.94Å; L504-M530 HydrophobicContact CG-SD 3.57Å; L504-M530 VanDerWaalsContact CG-SD 3.57Å; L504-M533 HydrophobicContact CD1-CE 4.2Å; L504-M533 HydrophobicContact CD1-CG 4.39Å
505N85.2Confident80.2Confident13 Ų138 Ų87%0.075%0.047CC..Hα-helixtrans-58.5-47.9175.9170.1-111.4000111.3L212 E418 P501 L502 L507 G508 L509 Y547L212-N505 HydrophobicContact CD2-CB 3.75Å; E418-N505 PolarHBondContact OE1-ND2 3.08Å; E418-N505 PolarHBondContact OE1-OD1 3.23Å; E418-N505 PolarHBondContact OE2-ND2 2.91Å; P501-N505 VanDerWaalsContact O-CB 3.28Å; P501-N505 WeakPolarHBondContact O-CB 3.08Å; P501-N505 PolarHBondContact O-N 3.42Å; L502-N505 PolarHBondContact O-N 3.43Å; N505-L507 PolarHBondContact O-N 3.21Å; N505-G508 PolarHBondContact O-N 3.09Å; N505-L509 PolarHBondContact O-N 3.07Å; N505-Y547 WeakPolarHBondContact ND2-CE1 3.39Å; N505-Y547 PolarHBondContact ND2-OH 2.91Å; N505-Y547 VanDerWaalsContact ND2-OH 3.11Å
506F88.1Confident78.4Confident0 Ų08.8 Ų8.80%05%0.051CC..Hα-helixtrans-59.7-46.5174.8168.4-100.5000113L52 V56 C451 T454 I455 L458 L502 C503 L504 G508 L509 I510L52-F506 HydrophobicContact CD2-CD1 3.36Å; L52-F506 HydrophobicContact CD2-CE1 3.87Å; L52-F506 HydrophobicContact CD2-CG 4.21Å; L52-F506 HydrophobicContact CG-CD1 4Å; L52-F506 HydrophobicContact CG-CE1 4.02Å; V56-F506 HydrophobicContact CG2-CE1 4.24Å; C451-F506 HydrophobicContact CB-CZ 3.79Å; T454-F506 HydrophobicContact CG2-CD2 3.98Å; T454-F506 HydrophobicContact CG2-CE2 3.9Å; I455-F506 HydrophobicContact CB-CD2 4.18Å; I455-F506 HydrophobicContact CB-CE2 4.29Å; I455-F506 HydrophobicContact CB-CG 4.44Å; I455-F506 HydrophobicContact CD1-CB 3.75Å; I455-F506 HydrophobicContact CD1-CD1 4.38Å; I455-F506 HydrophobicContact CD1-CD2 4.27Å; I455-F506 HydrophobicContact CD1-CG 3.87Å; L458-F506 HydrophobicContact CD1-CB 4.05Å; L458-F506 HydrophobicContact CD1-CD2 4.21Å; L502-F506 PolarHBondContact O-N 2.9Å; C503-F506 PolarHBondContact O-N 3.01Å; L504-F506 PolarHBondContact O-N 3.12Å; F506-G508 VanDerWaalsContact C-N 3.26Å; F506-G508 PolarHBondContact O-N 3.16Å; F506-L509 WeakPolarHBondContact O-CB 3.39Å; F506-L509 PolarHBondContact O-N 2.89Å; F506-I510 HydrophobicContact CE1-CD1 3.89Å; F506-I510 HydrophobicContact CE2-CG2 3.99Å; F506-I510 HydrophobicContact CZ-CD1 4.01Å; F506-I510 HydrophobicContact CZ-CG2 4.19Å; F506-I510 PolarHBondContact O-N 3.45Å
507L84.9Confident76.6Confident1 Ų19.4 Ų9.41%0.0056%0.055CC..Hα-helixtrans-64.3-32.3178.5-70.6175.4000112.5L52 V56 C503 L504 N505 I510 H511 M512 D513 T524 Y526 T527L52-L507 HydrophobicContact CD1-CD1 4.42Å; L52-L507 HydrophobicContact CD1-CD2 4.37Å; L52-L507 HydrophobicContact CD1-CG 4.49Å; V56-L507 HydrophobicContact CG2-CD2 3.82Å; C503-L507 VanDerWaalsContact O-CG 3.3Å; C503-L507 WeakPolarHBondContact O-CG 3.08Å; C503-L507 PolarHBondContact O-N 3.13Å; L504-L507 PolarHBondContact O-N 3.02Å; N505-L507 PolarHBondContact O-N 3.21Å; L507-I510 HydrophobicContact CD2-CD1 4.09Å; L507-I510 WeakPolarHBondContact O-CG1 3.37Å; L507-H511 PolarHBondContact O-N 2.83Å; L507-M512 HydrophobicContact CD2-CB 4.34Å; L507-M512 PolarHBondContact O-N 3.02Å; L507-M512 VanDerWaalsContact O-N 3.15Å; L507-D513 PolarHBondContact O-N 3.08Å; L507-T524 HydrophobicContact CD2-CG2 3.95Å; L507-Y526 HydrophobicContact CD1-CD1 3.67Å; L507-Y526 HydrophobicContact CD1-CE1 4.42Å; L507-T527 WeakPolarHBondContact CD1-OG1 3.17Å
508G79.5Confident75Confident7 Ų715.3 Ų15.37%0.0728%0.084CC..Hα-helixtrans-64.8-46.8171.300000112.5L504 N505 F506 I510 H511L504-G508 PolarHBondContact O-N 3.24Å; N505-G508 PolarHBondContact O-N 3.09Å; F506-G508 VanDerWaalsContact C-N 3.26Å; F506-G508 PolarHBondContact O-N 3.16Å; G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 3.23Å; G508-H511 PolarHBondContact O-N 3.48Å; G508-H511 VanDerWaalsContact O-N 3.11Å
509L81.8Confident73.5Confident2 Ų221.2 Ų21.21%0.0111%0.107CC..Hα-helixtrans-56.9-35.9178.8-80.4173000113.7E418 S429 L458 N505 F506E418-L509 HydrophobicContact CG-CD2 3.93Å; E418-L509 WeakPolarHBondContact OE1-CD1 3.48Å; E418-L509 VanDerWaalsContact OE1-CD2 3.31Å; E418-L509 WeakPolarHBondContact OE1-CD2 3.36Å; E418-L509 VanDerWaalsContact OE1-CG 3.3Å; E418-L509 WeakPolarHBondContact OE1-CG 3.28Å; S429-L509 PolarHBondContact OG-O 3.35Å; L458-L509 HydrophobicContact CD1-CD1 3.87Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å; N505-L509 PolarHBondContact O-N 3.07Å; F506-L509 WeakPolarHBondContact O-CB 3.39Å; F506-L509 PolarHBondContact O-N 2.89Å
510I81.9Confident72Confident3 Ų330.3 Ų30.32%0.01515%0.149CC..THydrogen-bonded Turntrans-91.84.8-178.566.3170.4000113.8V56 F431 I435 F506 L507 G508 M512V56-I510 HydrophobicContact CG1-CD1 4.06Å; V56-I510 HydrophobicContact CG2-CD1 3.87Å; F431-I510 HydrophobicContact CB-CG2 4.3Å; I435-I510 HydrophobicContact CD1-CB 3.49Å; I435-I510 VanDerWaalsContact CD1-CB 3.49Å; I435-I510 HydrophobicContact CD1-CD1 4.29Å; I435-I510 HydrophobicContact CD1-CG1 4.49Å; I435-I510 HydrophobicContact CD1-CG2 3.3Å; F506-I510 HydrophobicContact CE1-CD1 3.89Å; F506-I510 HydrophobicContact CE2-CG2 3.99Å; F506-I510 HydrophobicContact CZ-CD1 4.01Å; F506-I510 HydrophobicContact CZ-CG2 4.19Å; F506-I510 PolarHBondContact O-N 3.45Å; L507-I510 HydrophobicContact CD2-CD1 4.09Å; L507-I510 WeakPolarHBondContact O-CG1 3.37Å; G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 3.23Å; I510-M512 HydrophobicContact CD1-CB 3.88Å; I510-M512 HydrophobicContact CD1-CG 3.41Å; I510-M512 VanDerWaalsContact CD1-CG 3.41Å; I510-M512 HydrophobicContact CG1-CB 3.85Å; I510-M512 HydrophobicContact CG1-CG 3.64Å; I510-M512 PolarHBondContact O-N 3Å
511H75.6Confident71.2Confident3 Ų331.4 Ų31.41%0.01415%0.153CC..THydrogen-bonded Turntrans54.631.6-176.5-68.4135.9000114.8F421 A432 L507 G508F421-H511 PolarHBondContact O-NE2 3.22Å; A432-H511 HydrophobicContact CB-CB 4.17Å; A432-H511 WeakPolarHBondContact CB-ND1 3.4Å; L507-H511 PolarHBondContact O-N 2.83Å; G508-H511 PolarHBondContact O-N 3.48Å; G508-H511 VanDerWaalsContact O-N 3.11Å
512M65.8Low70.8Confident7 Ų733.6 Ų33.63%0.03416%0.164CC..  trans-89.7-9.7171.2-71.9-67.498.200112.9V56 I60 L507 I510 S514 K521V56-M512 HydrophobicContact CG1-CG 4.36Å; I60-M512 HydrophobicContact CD1-SD 4.3Å; I60-M512 HydrophobicContact CG1-SD 4.13Å; L507-M512 HydrophobicContact CD2-CB 4.34Å; L507-M512 PolarHBondContact O-N 3.02Å; L507-M512 VanDerWaalsContact O-N 3.15Å; I510-M512 HydrophobicContact CD1-CB 3.88Å; I510-M512 HydrophobicContact CD1-CG 3.41Å; I510-M512 VanDerWaalsContact CD1-CG 3.41Å; I510-M512 HydrophobicContact CG1-CB 3.85Å; I510-M512 HydrophobicContact CG1-CG 3.64Å; I510-M512 PolarHBondContact O-N 3Å; M512-S514 PolarHBondContact O-N 3.32Å; M512-K521 HydrophobicContact CE-CD 3.43Å; M512-K521 VanDerWaalsContact CE-CD 3.43Å; M512-K521 HydrophobicContact SD-CD 4.49Å
513D61.3Low70.5Confident11 Ų1136.5 Ų36.56%0.05918%0.183CC..  trans-78.3118.1169.6-166.8-5.2000110.9L507 A515 I516 S517L507-D513 PolarHBondContact O-N 3.08Å; D513-A515 PolarHBondContact O-N 3.42Å; D513-A515 WeakPolarHBondContact OD1-CB 3.43Å; D513-A515 PolarHBondContact OD1-N 3.23Å; D513-I516 HydrophobicContact CB-CD1 4.3Å; D513-I516 PolarHBondContact O-N 3.01Å; D513-I516 VanDerWaalsContact O-N 3.08Å; D513-S517 PolarHBondContact O-N 3.48Å
514S54.7Low70.4Confident26 Ų2636.5 Ų36.518%0.18218%0.183CC..THydrogen-bonded Turntrans-65.7-14.3177.466.10000113M512 I516 R534M512-S514 PolarHBondContact O-N 3.32Å; S514-I516 VanDerWaalsContact C-N 3.3Å; S514-R534 VanDerWaalsContact C-NH2 3.35Å; S514-R534 PolarHBondContact O-NH2 3.34Å; S514-R534 PolarHBondContact OG-NH2 3.31Å
515A52.9Low70.6Confident23 Ų2336 Ų3619%0.1918%0.182CC..THydrogen-bonded Turntrans-69.4-27.4171.400000113.1D513D513-A515 PolarHBondContact O-N 3.42Å; D513-A515 WeakPolarHBondContact OD1-CB 3.43Å; D513-A515 PolarHBondContact OD1-N 3.23Å
516I53.4Low70.6Confident16 Ų1635.9 Ų35.98%0.08218%0.18CC..THydrogen-bonded Turntrans-104.6-43.6-172.6-62.2165.9000110.5F421 T424 D513 S514 H518 Y544F421-I516 HydrophobicContact CD2-CD1 3.81Å; F421-I516 HydrophobicContact CD2-CG1 4.38Å; F421-I516 HydrophobicContact CD2-CG2 3.88Å; F421-I516 HydrophobicContact CE2-CD1 3.77Å; F421-I516 HydrophobicContact CE2-CG1 4.18Å; F421-I516 HydrophobicContact CE2-CG2 4.3Å; T424-I516 HydrophobicContact CG2-CG2 4.47Å; T424-I516 WeakPolarHBondContact CG2-O 3.14Å; D513-I516 HydrophobicContact CB-CD1 4.3Å; D513-I516 PolarHBondContact O-N 3.01Å; D513-I516 VanDerWaalsContact O-N 3.08Å; S514-I516 VanDerWaalsContact C-N 3.3Å; I516-H518 VanDerWaalsContact C-N 3.29Å; I516-H518 PolarHBondContact O-N 3.49Å; I516-Y544 HydrophobicContact CD1-CD1 4.38Å; I516-Y544 HydrophobicContact CD1-CE1 3.95Å; I516-Y544 HydrophobicContact CG1-CD1 4.44Å; I516-Y544 HydrophobicContact CG1-CE1 3.99Å
517S52.1Low70.3Confident12 Ų1236.2 Ų36.28%0.08418%0.182CC..SBendtrans-70.9-17.2-167.4-160.10000114.8D513 R519D513-S517 PolarHBondContact O-N 3.48Å; S517-R519 PolarHBondContact O-N 3.37Å
518H54.1Low70Confident163 Ų16339.7 Ų39.776%0.75521%0.207SC*.  trans48.86.7-169.8-69.9-76.9000115.2I516I516-H518 VanDerWaalsContact C-N 3.29Å; I516-H518 PolarHBondContact O-N 3.49Å
519R56.4Low69.9Low123 Ų12341 Ų4146%0.46421%0.212SC..SBendtrans-95.4141.5170.6-65.1-168.6-176.5-162.13.2108.2S517 K521S517-R519 PolarHBondContact O-N 3.37Å; R519-K521 HydrophobicContact CB-CG 4.37Å; R519-K521 PolarHBondContact O-N 2.96Å
520Q57.7Low69.4Low198 Ų19841.3 Ų41.393%0.92521%0.213SC*.  trans-69.573.4172-73.2170.7-4100109.5
521K68.9Low68.3Low29 Ų2942.8 Ų42.813%0.12623%0.229CC..PPolyproline II helixtrans-96.9139.4168.1-68.7-161175.4-146.50109.2E439 M512 R519E439-K521 IonicContact OE1-NZ 3.54Å; E439-K521 PolarHBondContact OE1-NZ 3.48Å; E439-K521 IonicContact OE2-NZ 3.56Å; E439-K521 PolarHBondContact OE2-NZ 3.29Å; M512-K521 HydrophobicContact CE-CD 3.43Å; M512-K521 VanDerWaalsContact CE-CD 3.43Å; M512-K521 HydrophobicContact SD-CD 4.49Å; R519-K521 HydrophobicContact CB-CG 4.37Å; R519-K521 PolarHBondContact O-N 2.96Å
522L75.3Confident67.2Low48 Ų4844 Ų4425%0.25124%0.238SC..PPolyproline II helixtrans-57.2131.4174.8-135.572000109.8T59 R62 E66T59-L522 HydrophobicContact CG2-CB 4.12Å; T59-L522 WeakPolarHBondContact CG2-O 3.26Å; R62-L522 HydrophobicContact CB-CD2 4.17Å; E66-L522 WeakPolarHBondContact OE2-CD1 3.29Å
523P81.1Confident66.5Low62 Ų6244.9 Ų44.940%0.40324%0.242SC..PPolyproline II helixtrans-67.6146.4173.528.5-33.9000110.3T527P523-T527 HydrophobicContact CB-CG2 4.37Å
524T86.6Confident65.7Low0 Ų051 Ų510%026%0.264CS..PPolyproline II helixtrans-62.2156.417165.30000111.4V56 T59 L507 Y526 T527 S528V56-T524 HydrophobicContact CG2-CG2 4.44Å; T59-T524 HydrophobicContact CG2-CG2 4.39Å; L507-T524 HydrophobicContact CD2-CG2 3.95Å; T524-Y526 PolarHBondContact O-N 2.99Å; T524-T527 PolarHBondContact O-N 2.84Å; T524-T527 VanDerWaalsContact O-N 3.16Å; T524-T527 PolarHBondContact OG1-N 3.36Å; T524-T527 VanDerWaalsContact OG1-N 3.13Å; T524-T527 PolarHBondContact OG1-OG1 3.32Å; T524-S528 PolarHBondContact O-N 3.34Å; T524-S528 VanDerWaalsContact O-N 3.12Å
525A85.4Confident65.2Low9 Ų953.5 Ų53.57%0.07428%0.278CS..Hα-helixtrans-59.7-34.5176.300000110.8D55 M118 P119 S528D55-A525 WeakPolarHBondContact OD1-CB 3.25Å; D55-A525 PolarHBondContact OD1-N 3.12Å; D55-A525 VanDerWaalsContact OD1-N 3.14Å; D55-A525 PolarHBondContact OD2-N 2.91Å; M118-A525 HydrophobicContact CB-CB 4.04Å; M118-A525 HydrophobicContact CG-CB 3.57Å; P119-A525 HydrophobicContact CG-CB 4.04Å; A525-S528 PolarHBondContact O-N 3.48Å; A525-S528 PolarHBondContact O-OG 3.32Å
526Y86.1Confident64.9Low10 Ų1054.2 Ų54.24%0.03928%0.279CS..Hα-helixtrans-57.6-55171.5-177.6-101.3000113.5L52 D55 W122 P500 C503 L504 L507 T524 S528 I529 M530L52-Y526 HydrophobicContact CD1-CG 4.33Å; D55-Y526 WeakPolarHBondContact OD2-CB 3.47Å; D55-Y526 PolarHBondContact OD2-N 2.94Å; W122-Y526 AromaticContact CD2-CD2 3.59Å; W122-Y526 HydrophobicContact CD2-CD2 3.59Å; W122-Y526 HydrophobicContact CD2-CE2 4.46Å; W122-Y526 HydrophobicContact CD2-CG 4.42Å; W122-Y526 AromaticContact CE2-CD2 3.8Å; W122-Y526 AromaticContact CE3-CD2 3.46Å; W122-Y526 HydrophobicContact CE3-CD2 3.46Å; W122-Y526 VanDerWaalsContact CE3-CD2 3.46Å; W122-Y526 AromaticContact CE3-CE2 3.89Å; W122-Y526 HydrophobicContact CE3-CE2 3.89Å; W122-Y526 HydrophobicContact CG-CD2 4.23Å; W122-Y526 AromaticContact CH2-CD2 3.81Å; W122-Y526 HydrophobicContact CH2-CD2 3.81Å; W122-Y526 HydrophobicContact CH2-CE2 4.26Å; W122-Y526 AromaticContact CZ2-CD2 3.93Å; W122-Y526 HydrophobicContact CZ2-CD2 3.93Å; W122-Y526 HydrophobicContact CZ2-CG 4.36Å; W122-Y526 AromaticContact CZ3-CD2 3.57Å; W122-Y526 HydrophobicContact CZ3-CD2 3.57Å; W122-Y526 AromaticContact CZ3-CE2 3.78Å; W122-Y526 HydrophobicContact CZ3-CE2 3.78Å; P500-Y526 WeakPolarHBondContact CA-OH 3.07Å; P500-Y526 PolarHBondContact O-OH 2.92Å; C503-Y526 HydrophobicContact CB-CD1 4.06Å; C503-Y526 HydrophobicContact CB-CE1 3.35Å; C503-Y526 HydrophobicContact CB-CE2 4.12Å; C503-Y526 WeakPolarHBondContact CB-OH 3.3Å; L504-Y526 HydrophobicContact CD2-CE1 4.09Å; L504-Y526 HydrophobicContact CG-CE1 4.32Å; L507-Y526 HydrophobicContact CD1-CD1 3.67Å; L507-Y526 HydrophobicContact CD1-CE1 4.42Å; T524-Y526 PolarHBondContact O-N 2.99Å; Y526-S528 PolarHBondContact O-N 3.07Å; Y526-I529 PolarHBondContact O-N 3.44Å; Y526-M530 HydrophobicContact CE1-CB 4.27Å; Y526-M530 HydrophobicContact CE1-SD 3.76Å; Y526-M530 VanDerWaalsContact CZ-SD 3.6Å; Y526-M530 PolarHBondContact O-N 2.97Å; Y526-M530 VanDerWaalsContact O-N 3.08Å; Y526-M530 PolarHBondContact OH-SD 3.33Å
527T80.9Confident64.7Low7 Ų757 Ų574%0.04330%0.3CS..Hα-helixtrans-58.9-33.3-179.3-56.10000111.7L507 P523 T524 I529 G531L507-T527 WeakPolarHBondContact CD1-OG1 3.17Å; P523-T527 HydrophobicContact CB-CG2 4.37Å; T524-T527 PolarHBondContact O-N 2.84Å; T524-T527 VanDerWaalsContact O-N 3.16Å; T524-T527 PolarHBondContact OG1-N 3.36Å; T524-T527 VanDerWaalsContact OG1-N 3.13Å; T524-T527 PolarHBondContact OG1-OG1 3.32Å; T527-I529 VanDerWaalsContact C-N 3.25Å; T527-I529 PolarHBondContact O-N 3.45Å; T527-G531 PolarHBondContact O-N 3.01Å
528S79.4Confident64.7Low74 Ų7465.1 Ų65.152%0.51733%0.334SS..Hα-helixtrans-64-27.1177.679.40000114T524 A525 Y526T524-S528 PolarHBondContact O-N 3.34Å; T524-S528 VanDerWaalsContact O-N 3.12Å; A525-S528 PolarHBondContact O-N 3.48Å; A525-S528 PolarHBondContact O-OG 3.32Å; Y526-S528 PolarHBondContact O-N 3.07Å
529I77.8Confident64.8Low36 Ų3660.3 Ų60.319%0.18531%0.313CS..Hα-helixtrans-98.3-39.1-175.5-66.9168.3000111.8P119 W122 R123 Y126 Y526 T527 G531P119-I529 HydrophobicContact CB-CD1 4.37Å; P119-I529 WeakPolarHBondContact O-CD1 3.37Å; W122-I529 HydrophobicContact CB-CD1 3.51Å; R123-I529 HydrophobicContact CB-CD1 4.23Å; Y126-I529 HydrophobicContact CD1-CG2 4.46Å; Y126-I529 HydrophobicContact CG-CG2 4.38Å; Y526-I529 PolarHBondContact O-N 3.44Å; T527-I529 VanDerWaalsContact C-N 3.25Å; T527-I529 PolarHBondContact O-N 3.45Å; I529-G531 PolarHBondContact O-N 3.21Å
530M69.7Low64.8Low8 Ų854.8 Ų54.84%0.03929%0.294CS..Hα-helixtrans-69.3-20.5176.9-172.3159.2-178.300112.3N205 P500 L504 Y526N205-M530 HydrophobicContact CB-CE 4.29Å; N205-M530 VanDerWaalsContact CG-CE 3.48Å; N205-M530 WeakPolarHBondContact ND2-CE 3.47Å; N205-M530 WeakPolarHBondContact OD1-CE 3.3Å; P500-M530 HydrophobicContact CB-CE 3.21Å; P500-M530 HydrophobicContact CB-SD 3.62Å; L504-M530 HydrophobicContact CD1-CE 3.32Å; L504-M530 HydrophobicContact CD1-CG 4.3Å; L504-M530 HydrophobicContact CD1-SD 3.57Å; L504-M530 VanDerWaalsContact CD1-SD 3.57Å; L504-M530 HydrophobicContact CD2-SD 4.03Å; L504-M530 HydrophobicContact CG-CE 3.94Å; L504-M530 HydrophobicContact CG-SD 3.57Å; L504-M530 VanDerWaalsContact CG-SD 3.57Å; Y526-M530 HydrophobicContact CE1-CB 4.27Å; Y526-M530 HydrophobicContact CE1-SD 3.76Å; Y526-M530 VanDerWaalsContact CZ-SD 3.6Å; Y526-M530 PolarHBondContact O-N 2.97Å; Y526-M530 VanDerWaalsContact O-N 3.08Å; Y526-M530 PolarHBondContact OH-SD 3.33Å
531G60.3Low65Low33 Ų3350.4 Ų50.434%0.3428%0.277SS..  trans79.9137.2-169.900000110T527 I529T527-G531 PolarHBondContact O-N 3.01Å; I529-G531 PolarHBondContact O-N 3.21Å
532S51.9Low64.8Low28 Ų2850 Ų5020%0.19628%0.281CS..  trans-65.1140.2168.2-175.40000108.3R534S532-R534 PolarHBondContact O-N 3.14Å; S532-R534 WeakPolarHBondContact OG-CD 3.49Å; S532-R534 VanDerWaalsContact OG-CG 3.3Å; S532-R534 WeakPolarHBondContact OG-CG 3.21Å
533M50.2Low64.3Low26 Ų2650 Ų5013%0.12828%0.279CS..G310 helixtrans-560173.9-77.2-107.5147.500114.1N205 L209 L504 V535N205-M533 HydrophobicContact CB-CE 3.73Å; L209-M533 HydrophobicContact CD2-CE 4.28Å; L209-M533 HydrophobicContact CD2-SD 4.41Å; L504-M533 HydrophobicContact CD1-CE 4.2Å; L504-M533 HydrophobicContact CD1-CG 4.39Å; M533-V535 PolarHBondContact O-N 3.41Å; M533-V535 VanDerWaalsContact O-N 3.11Å
534R44.3Very low63.6Low139 Ų13948.8 Ų48.853%0.52527%0.266SS..G310 helixtrans-54.9-17.1175.1-75.2175-174.8-164.71.7115.9S514 S532 L536S514-R534 VanDerWaalsContact C-NH2 3.35Å; S514-R534 PolarHBondContact O-NH2 3.34Å; S514-R534 PolarHBondContact OG-NH2 3.31Å; S532-R534 PolarHBondContact O-N 3.14Å; S532-R534 WeakPolarHBondContact OG-CD 3.49Å; S532-R534 VanDerWaalsContact OG-CG 3.3Å; S532-R534 WeakPolarHBondContact OG-CG 3.21Å; R534-L536 VanDerWaalsContact C-N 3.28Å; R534-L536 PolarHBondContact O-N 3.44Å
535V45.8Very low62.9Low79 Ų7952.9 Ų52.948%0.47929%0.288SS..G310 helixtrans-79-11.3-169.7-1580000113.8T198 M533T198-V535 HydrophobicContact CG2-CB 3.36Å; T198-V535 HydrophobicContact CG2-CG1 3.18Å; T198-V535 HydrophobicContact CG2-CG2 3.82Å; M533-V535 PolarHBondContact O-N 3.41Å; M533-V535 VanDerWaalsContact O-N 3.11Å
536L46.3Very low62.5Low38 Ų3860 Ų6020%0.19931%0.313CS..G310 helixtrans-130.779.5162.2-84.5146.5000108.7W186 I199 T202 R534 F538 I539 A540W186-L536 HydrophobicContact CH2-CD2 4.24Å; I199-L536 HydrophobicContact CG1-CD1 4.47Å; T202-L536 HydrophobicContact CG2-CD1 3.88Å; R534-L536 VanDerWaalsContact C-N 3.28Å; R534-L536 PolarHBondContact O-N 3.44Å; L536-F538 PolarHBondContact O-N 2.69Å; L536-I539 HydrophobicContact CB-CB 4.29Å; L536-I539 HydrophobicContact CB-CD1 4.17Å; L536-I539 HydrophobicContact CB-CG1 4.26Å; L536-I539 HydrophobicContact CD1-CD1 4.06Å; L536-I539 PolarHBondContact O-N 3.04Å; L536-A540 PolarHBondContact O-N 3.15Å
537S49.3Very low62Low75 Ų7560 Ų6052%0.52431%0.314SS..Hα-helixtrans-47.7-28.2177.8-67.50000113.9N541S537-N541 WeakPolarHBondContact O-CB 3.33Å; S537-N541 PolarHBondContact O-N 3Å; S537-N541 VanDerWaalsContact O-N 3.13Å; S537-N541 PolarHBondContact O-ND2 3.42Å
538F52.3Low61.8Low182 Ų18260.1 Ų60.180%0.79831%0.314SS*.Hα-helixtrans-65.1-45.3174.2-176.7-102000113.4L536L536-F538 PolarHBondContact O-N 2.69Å
539I55.5Low61.9Low63 Ų6361 Ų6132%0.32331%0.311SS..Hα-helixtrans-73-42.7177.7-63.8176.6000109.6T206 L536 N541 G542 F543T206-I539 HydrophobicContact CG2-CG2 4.13Å; L536-I539 HydrophobicContact CB-CB 4.29Å; L536-I539 HydrophobicContact CB-CD1 4.17Å; L536-I539 HydrophobicContact CB-CG1 4.26Å; L536-I539 HydrophobicContact CD1-CD1 4.06Å; L536-I539 PolarHBondContact O-N 3.04Å; I539-N541 PolarHBondContact O-N 3.3Å; I539-G542 PolarHBondContact O-N 3.49Å; I539-F543 WeakPolarHBondContact O-CB 3.45Å; I539-F543 PolarHBondContact O-N 3.4Å
540A56.7Low62.3Low6 Ų662.4 Ų62.45%0.0532%0.319CS..Hα-helixtrans-58.2-46.9-178.800000112.3L536 F543 Y544L536-A540 PolarHBondContact O-N 3.15Å; A540-F543 PolarHBondContact O-N 2.87Å; A540-Y544 HydrophobicContact CB-CE2 3.9Å; A540-Y544 WeakPolarHBondContact O-CD2 3.44Å; A540-Y544 WeakPolarHBondContact O-CE2 3.41Å; A540-Y544 VanDerWaalsContact O-CG 3.29Å; A540-Y544 PolarHBondContact O-N 3.48Å
541N61.6Low63.1Low106 Ų10662 Ų6257%0.56732%0.317SS*.Hα-helixtrans-65.4-43.9-177.9-71.8-16.6000113.2S537 I539S537-N541 WeakPolarHBondContact O-CB 3.33Å; S537-N541 PolarHBondContact O-N 3Å; S537-N541 VanDerWaalsContact O-N 3.13Å; S537-N541 PolarHBondContact O-ND2 3.42Å; I539-N541 PolarHBondContact O-N 3.3Å
542G64.4Low64.4Low21 Ų2162.3 Ų62.322%0.21631%0.312CS..Hα-helixtrans-67.2-43.1174.800000111.2I539 Y544 I545 Y546I539-G542 PolarHBondContact O-N 3.49Å; G542-Y544 VanDerWaalsContact C-N 3.33Å; G542-Y544 PolarHBondContact O-N 2.91Å; G542-I545 PolarHBondContact O-N 3Å; G542-I545 VanDerWaalsContact O-N 3.16Å; G542-Y546 WeakPolarHBondContact O-CD2 3.42Å; G542-Y546 PolarHBondContact O-N 2.8Å
543F65.6Low66.2Low49 Ų4966.2 Ų66.222%0.21533%0.33CS..Hα-helixtrans-57.9-43.8-179.6-178.2-95000112.3L209 I539 A540 I545 Y546 Y547L209-F543 HydrophobicContact CD1-CE1 4.46Å; L209-F543 HydrophobicContact CD1-CE2 4.35Å; L209-F543 HydrophobicContact CD1-CZ 3.67Å; L209-F543 HydrophobicContact CD2-CD1 4.31Å; L209-F543 HydrophobicContact CD2-CD2 3.96Å; L209-F543 HydrophobicContact CD2-CE1 3.6Å; L209-F543 HydrophobicContact CD2-CE2 3.16Å; L209-F543 HydrophobicContact CD2-CG 4.47Å; L209-F543 HydrophobicContact CD2-CZ 2.96Å; L209-F543 HydrophobicContact CG-CE1 4.22Å; L209-F543 HydrophobicContact CG-CE2 3.42Å; L209-F543 VanDerWaalsContact CG-CE2 3.42Å; L209-F543 HydrophobicContact CG-CZ 3.21Å; I539-F543 WeakPolarHBondContact O-CB 3.45Å; I539-F543 PolarHBondContact O-N 3.4Å; A540-F543 PolarHBondContact O-N 2.87Å; F543-I545 PolarHBondContact O-N 3.33Å; F543-Y546 PolarHBondContact O-N 3.37Å; F543-Y547 HydrophobicContact CD2-CD2 4.42Å; F543-Y547 AromaticContact CE1-CD2 3.9Å; F543-Y547 HydrophobicContact CE1-CD2 3.9Å; F543-Y547 HydrophobicContact CE1-CE2 4.41Å; F543-Y547 AromaticContact CE1-CG 3.92Å; F543-Y547 HydrophobicContact CE1-CG 3.92Å; F543-Y547 AromaticContact CE2-CD2 3.3Å; F543-Y547 HydrophobicContact CE2-CD2 3.3Å; F543-Y547 HydrophobicContact CE2-CE2 4.02Å; F543-Y547 AromaticContact CE2-CG 3.93Å; F543-Y547 HydrophobicContact CE2-CG 3.93Å; F543-Y547 HydrophobicContact CZ-CD1 4.28Å; F543-Y547 AromaticContact CZ-CD2 2.95Å; F543-Y547 HydrophobicContact CZ-CD2 2.95Å; F543-Y547 AromaticContact CZ-CE2 3.43Å; F543-Y547 HydrophobicContact CZ-CE2 3.43Å; F543-Y547 VanDerWaalsContact CZ-CE2 3.43Å; F543-Y547 AromaticContact CZ-CG 3.41Å; F543-Y547 HydrophobicContact CZ-CG 3.41Å; F543-Y547 VanDerWaalsContact CZ-CG 3.41Å; F543-Y547 WeakPolarHBondContact O-CB 3.33Å; F543-Y547 PolarHBondContact O-N 3.36Å
544Y66.2Low68Low35 Ų3566.8 Ų66.814%0.13733%0.333CS..Hα-helixtrans-65.3-26.4-179.3-64.2-50.4000114.3F421 I516 A540 G542 P548F421-Y544 AromaticContact CE2-CD1 3.66Å; F421-Y544 HydrophobicContact CE2-CD1 3.66Å; F421-Y544 HydrophobicContact CE2-CE1 4.5Å; F421-Y544 HydrophobicContact CE2-CG 4.14Å; F421-Y544 AromaticContact CZ-CD1 3.58Å; F421-Y544 HydrophobicContact CZ-CD1 3.58Å; F421-Y544 HydrophobicContact CZ-CG 4.06Å; F421-Y544 VanDerWaalsContact CZ-O 3.28Å; F421-Y544 WeakPolarHBondContact CZ-O 3.33Å; I516-Y544 HydrophobicContact CD1-CD1 4.38Å; I516-Y544 HydrophobicContact CD1-CE1 3.95Å; I516-Y544 HydrophobicContact CG1-CD1 4.44Å; I516-Y544 HydrophobicContact CG1-CE1 3.99Å; A540-Y544 HydrophobicContact CB-CE2 3.9Å; A540-Y544 WeakPolarHBondContact O-CD2 3.44Å; A540-Y544 WeakPolarHBondContact O-CE2 3.41Å; A540-Y544 VanDerWaalsContact O-CG 3.29Å; A540-Y544 PolarHBondContact O-N 3.48Å; G542-Y544 VanDerWaalsContact C-N 3.33Å; G542-Y544 PolarHBondContact O-N 2.91Å; Y544-P548 VanDerWaalsContact O-CD 3.31Å; Y544-P548 WeakPolarHBondContact O-CD 3.26Å
545I71.3Confident70.2Confident87 Ų8760.9 Ų60.945%0.44631%0.313SS..Hα-helixtrans-85.3-48.5178-66.1170.6000110.1G542 F543 M549G542-I545 PolarHBondContact O-N 3Å; G542-I545 VanDerWaalsContact O-N 3.16Å; F543-I545 PolarHBondContact O-N 3.33Å; I545-M549 HydrophobicContact CG2-CE 3.46Å; I545-M549 VanDerWaalsContact CG2-CE 3.46Å; I545-M549 WeakPolarHBondContact O-CE 3.35Å
546Y76.6Confident72.3Confident157 Ų15761.1 Ų61.162%0.61631%0.311SS*.Hα-helixtrans-78.5-29.5-173.3-62.9-61.7000113.9G542 F543 M549 L550G542-Y546 WeakPolarHBondContact O-CD2 3.42Å; G542-Y546 PolarHBondContact O-N 2.8Å; F543-Y546 PolarHBondContact O-N 3.37Å; Y546-M549 HydrophobicContact CD1-CE 3.65Å; Y546-M549 HydrophobicContact CE1-CE 4.09Å; Y546-M549 HydrophobicContact CG-CE 4.49Å; Y546-M549 PolarHBondContact O-N 2.76Å; Y546-L550 WeakPolarHBondContact O-CB 3.28Å; Y546-L550 PolarHBondContact O-N 3.42Å
547Y75.4Confident74.3Confident11 Ų1160.5 Ų60.54%0.04331%0.311CS..Hα-helixtrans-61.4-51.4-175.9178.7-91.8000113.2L209 V213 E418 N505 F543 M549 L550 I551L209-Y547 HydrophobicContact CD1-CE2 3.74Å; L209-Y547 HydrophobicContact CG-CE2 4.04Å; V213-Y547 HydrophobicContact CB-CE2 4.37Å; V213-Y547 HydrophobicContact CG2-CD2 3.14Å; V213-Y547 HydrophobicContact CG2-CE2 2.97Å; V213-Y547 HydrophobicContact CG2-CG 4.2Å; E418-Y547 WeakPolarHBondContact OE2-CE1 3.3Å; N505-Y547 WeakPolarHBondContact ND2-CE1 3.39Å; N505-Y547 PolarHBondContact ND2-OH 2.91Å; N505-Y547 VanDerWaalsContact ND2-OH 3.11Å; F543-Y547 HydrophobicContact CD2-CD2 4.42Å; F543-Y547 AromaticContact CE1-CD2 3.9Å; F543-Y547 HydrophobicContact CE1-CD2 3.9Å; F543-Y547 HydrophobicContact CE1-CE2 4.41Å; F543-Y547 AromaticContact CE1-CG 3.92Å; F543-Y547 HydrophobicContact CE1-CG 3.92Å; F543-Y547 AromaticContact CE2-CD2 3.3Å; F543-Y547 HydrophobicContact CE2-CD2 3.3Å; F543-Y547 HydrophobicContact CE2-CE2 4.02Å; F543-Y547 AromaticContact CE2-CG 3.93Å; F543-Y547 HydrophobicContact CE2-CG 3.93Å; F543-Y547 HydrophobicContact CZ-CD1 4.28Å; F543-Y547 AromaticContact CZ-CD2 2.95Å; F543-Y547 HydrophobicContact CZ-CD2 2.95Å; F543-Y547 AromaticContact CZ-CE2 3.43Å; F543-Y547 HydrophobicContact CZ-CE2 3.43Å; F543-Y547 VanDerWaalsContact CZ-CE2 3.43Å; F543-Y547 AromaticContact CZ-CG 3.41Å; F543-Y547 HydrophobicContact CZ-CG 3.41Å; F543-Y547 VanDerWaalsContact CZ-CG 3.41Å; F543-Y547 WeakPolarHBondContact O-CB 3.33Å; F543-Y547 PolarHBondContact O-N 3.36Å; Y547-M549 PolarHBondContact O-N 3.4Å; Y547-L550 PolarHBondContact O-N 2.89Å; Y547-I551 HydrophobicContact CD1-CD1 3.85Å; Y547-I551 HydrophobicContact CE1-CD1 3.32Å; Y547-I551 HydrophobicContact CE1-CG1 4.45Å; Y547-I551 PolarHBondContact O-N 3.21Å; Y547-I551 VanDerWaalsContact O-N 3.09Å
548P77.3Confident76Confident9 Ų958.3 Ų58.36%0.05829%0.294CS..Hα-helixtrans-62.2-41175.6-26.137.5000113.3E418 F421 Y544 L550 I551 V552E418-P548 WeakPolarHBondContact O-CB 3.5Å; E418-P548 VanDerWaalsContact O-CG 3.27Å; E418-P548 WeakPolarHBondContact O-CG 3.48Å; F421-P548 HydrophobicContact CD1-CG 3.69Å; F421-P548 HydrophobicContact CE1-CG 3.24Å; F421-P548 HydrophobicContact CZ-CG 4.24Å; Y544-P548 VanDerWaalsContact O-CD 3.31Å; Y544-P548 WeakPolarHBondContact O-CD 3.26Å; P548-L550 VanDerWaalsContact C-N 3.29Å; P548-L550 PolarHBondContact O-N 3.42Å; P548-I551 PolarHBondContact O-N 3.04Å; P548-V552 WeakPolarHBondContact O-CG2 3.48Å; P548-V552 PolarHBondContact O-N 3.27Å
549M82.8Confident77.7Confident92 Ų9256.5 Ų56.545%0.45328%0.283SS..Hα-helixtrans-59.7-42.7177.9-72.4-166.6-80.200111.1I545 Y546 Y547 V552 I553I545-M549 HydrophobicContact CG2-CE 3.46Å; I545-M549 VanDerWaalsContact CG2-CE 3.46Å; I545-M549 WeakPolarHBondContact O-CE 3.35Å; Y546-M549 HydrophobicContact CD1-CE 3.65Å; Y546-M549 HydrophobicContact CE1-CE 4.09Å; Y546-M549 HydrophobicContact CG-CE 4.49Å; Y546-M549 PolarHBondContact O-N 2.76Å; Y547-M549 PolarHBondContact O-N 3.4Å; M549-V552 PolarHBondContact O-N 3.09Å; M549-I553 WeakPolarHBondContact O-CB 3.49Å; M549-I553 WeakPolarHBondContact O-CD1 3.38Å; M549-I553 WeakPolarHBondContact O-CG1 3.36Å; M549-I553 PolarHBondContact O-N 3.21Å
550L85.3Confident79.1Confident66 Ų6658.7 Ų58.735%0.34629%0.291SS..Hα-helixtrans-66.6-41.3179.6-152.6155.1000111.2V213 Y546 Y547 P548 V552 I553 L554V213-L550 HydrophobicContact CB-CD2 4.33Å; V213-L550 HydrophobicContact CG1-CB 4.13Å; V213-L550 HydrophobicContact CG1-CD2 3.22Å; V213-L550 HydrophobicContact CG1-CG 4.19Å; Y546-L550 WeakPolarHBondContact O-CB 3.28Å; Y546-L550 PolarHBondContact O-N 3.42Å; Y547-L550 PolarHBondContact O-N 2.89Å; P548-L550 VanDerWaalsContact C-N 3.29Å; P548-L550 PolarHBondContact O-N 3.42Å; L550-V552 PolarHBondContact O-N 3.39Å; L550-I553 PolarHBondContact O-N 3.18Å; L550-L554 HydrophobicContact CD2-CD1 3.4Å; L550-L554 HydrophobicContact CD2-CG 3.77Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 VanDerWaalsContact O-CG 3.27Å; L550-L554 WeakPolarHBondContact O-CG 3.32Å; L550-L554 PolarHBondContact O-N 2.73Å
551I86.4Confident80.2Confident0 Ų059.7 Ų59.70%030%0.298CS..Hα-helixtrans-59-47.5174-69.5173.8000110.9V213 L216 L220 E418 Y547 P548 L554 C555V213-I551 HydrophobicContact CB-CG1 4.49Å; V213-I551 HydrophobicContact CG1-CG1 3.73Å; V213-I551 HydrophobicContact CG2-CG1 4.42Å; L216-I551 HydrophobicContact CD2-CD1 4.3Å; L220-I551 HydrophobicContact CD1-CG2 4.27Å; E418-I551 HydrophobicContact CG-CD1 4.12Å; Y547-I551 HydrophobicContact CD1-CD1 3.85Å; Y547-I551 HydrophobicContact CE1-CD1 3.32Å; Y547-I551 HydrophobicContact CE1-CG1 4.45Å; Y547-I551 PolarHBondContact O-N 3.21Å; Y547-I551 VanDerWaalsContact O-N 3.09Å; P548-I551 PolarHBondContact O-N 3.04Å; I551-L554 PolarHBondContact O-N 3.36Å; I551-C555 WeakPolarHBondContact O-CB 3.32Å; I551-C555 PolarHBondContact O-N 3.22Å; I551-C555 PolarHBondContact O-SG 3.49Å
552V88.4Confident80.9Confident39 Ų3958.9 Ų58.924%0.23629%0.293CS..Hα-helixtrans-62.1-47.9178.8173.80000111.2V415 C419 P548 M549 L550 L554 C555 I556V415-V552 HydrophobicContact CG1-CG2 4.02Å; C419-V552 WeakPolarHBondContact SG-CG2 3.36Å; P548-V552 WeakPolarHBondContact O-CG2 3.48Å; P548-V552 PolarHBondContact O-N 3.27Å; M549-V552 PolarHBondContact O-N 3.09Å; L550-V552 PolarHBondContact O-N 3.39Å; V552-L554 VanDerWaalsContact C-N 3.28Å; V552-L554 PolarHBondContact O-N 3.27Å; V552-C555 PolarHBondContact O-N 3.15Å; V552-C555 VanDerWaalsContact O-N 3.16Å; V552-I556 HydrophobicContact CG1-CD1 3.77Å; V552-I556 HydrophobicContact CG1-CG1 4.39Å; V552-I556 WeakPolarHBondContact O-CG1 3.38Å; V552-I556 PolarHBondContact O-N 3.43Å
553I89.6Confident81.2Confident110 Ų11060 Ų6056%0.56430%0.304SS*.Hα-helixtrans-58.1-44178.6-71.1164.8000110.1M549 L550 I556 A557M549-I553 WeakPolarHBondContact O-CB 3.49Å; M549-I553 WeakPolarHBondContact O-CD1 3.38Å; M549-I553 WeakPolarHBondContact O-CG1 3.36Å; M549-I553 PolarHBondContact O-N 3.21Å; L550-I553 PolarHBondContact O-N 3.18Å; I553-I556 PolarHBondContact O-N 2.9Å; I553-A557 VanDerWaalsContact O-CB 3.23Å; I553-A557 WeakPolarHBondContact O-CB 3.15Å; I553-A557 PolarHBondContact O-N 3.02Å
554L88.3Confident81.2Confident38 Ų3859.2 Ų59.220%0.19930%0.303CS..Hα-helixtrans-67.3-38.8176.5-72.5176.8000112.9V213 L214 L550 I551 V552 I556 A557 T558V213-L554 HydrophobicContact CG1-CD1 3.68Å; L214-L554 HydrophobicContact CD2-CD1 3.88Å; L214-L554 HydrophobicContact CD2-CD2 4.25Å; L550-L554 HydrophobicContact CD2-CD1 3.4Å; L550-L554 HydrophobicContact CD2-CG 3.77Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 VanDerWaalsContact O-CG 3.27Å; L550-L554 WeakPolarHBondContact O-CG 3.32Å; L550-L554 PolarHBondContact O-N 2.73Å; I551-L554 PolarHBondContact O-N 3.36Å; V552-L554 VanDerWaalsContact C-N 3.28Å; V552-L554 PolarHBondContact O-N 3.27Å; L554-I556 VanDerWaalsContact C-N 3.33Å; L554-A557 PolarHBondContact O-N 2.86Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 WeakPolarHBondContact O-CG2 3.23Å; L554-T558 PolarHBondContact O-N 3.3Å; L554-T558 PolarHBondContact O-OG1 3.06Å
555C89.7Confident81.4Confident15 Ų1563.9 Ų63.910%0.10132%0.321CS..Hα-helixtrans-61.7-44.2174.7-69.80000110.6V221 I551 V552 T558 Y559V221-C555 HydrophobicContact CG2-CB 3.93Å; I551-C555 WeakPolarHBondContact O-CB 3.32Å; I551-C555 PolarHBondContact O-N 3.22Å; I551-C555 PolarHBondContact O-SG 3.49Å; V552-C555 PolarHBondContact O-N 3.15Å; V552-C555 VanDerWaalsContact O-N 3.16Å; C555-T558 WeakPolarHBondContact CA-OG1 3.45Å; C555-T558 PolarHBondContact O-OG1 3.11Å; C555-Y559 WeakPolarHBondContact O-CB 3.4Å; C555-Y559 PolarHBondContact O-N 3.03Å
556I89.7Confident81.2Confident85 Ų8563.1 Ų63.144%0.43632%0.322SS..Hα-helixtrans-64.4-45.5175.5-67.6171.6000110.3V552 I553 L554 T558 Y559 F560V552-I556 HydrophobicContact CG1-CD1 3.77Å; V552-I556 HydrophobicContact CG1-CG1 4.39Å; V552-I556 WeakPolarHBondContact O-CG1 3.38Å; V552-I556 PolarHBondContact O-N 3.43Å; I553-I556 PolarHBondContact O-N 2.9Å; L554-I556 VanDerWaalsContact C-N 3.33Å; I556-T558 PolarHBondContact O-N 3.45Å; I556-Y559 PolarHBondContact O-N 2.8Å; I556-F560 HydrophobicContact CG2-CD2 3.71Å; I556-F560 HydrophobicContact CG2-CE2 3.85Å; I556-F560 VanDerWaalsContact O-CD2 3.28Å; I556-F560 WeakPolarHBondContact O-CD2 3.25Å; I556-F560 PolarHBondContact O-N 3.3Å
557A87.6Confident80.6Confident24 Ų2458.8 Ų58.820%0.19831%0.309CS..Hα-helixtrans-60.8-43.3179.400000112.6I553 L554 S561 L562I553-A557 VanDerWaalsContact O-CB 3.23Å; I553-A557 WeakPolarHBondContact O-CB 3.15Å; I553-A557 PolarHBondContact O-N 3.02Å; L554-A557 PolarHBondContact O-N 2.86Å; A557-S561 PolarHBondContact O-N 3.38Å; A557-S561 VanDerWaalsContact O-N 3.08Å; A557-L562 HydrophobicContact CB-CB 4.35Å; A557-L562 HydrophobicContact CB-CD1 4.34Å; A557-L562 PolarHBondContact O-N 3.17Å
558T86.1Confident80Confident29 Ų2961.4 Ų61.418%0.17832%0.324CS..Hα-helixtrans-73.5-33.617754.50000111.7Y218 R225 L554 C555 I556 S561Y218-T558 HydrophobicContact CD2-CG2 3.97Å; R225-T558 PolarHBondContact NH1-O 3.02Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 WeakPolarHBondContact O-CG2 3.23Å; L554-T558 PolarHBondContact O-N 3.3Å; L554-T558 PolarHBondContact O-OG1 3.06Å; C555-T558 WeakPolarHBondContact CA-OG1 3.45Å; C555-T558 PolarHBondContact O-OG1 3.11Å; I556-T558 PolarHBondContact O-N 3.45Å; T558-S561 PolarHBondContact O-N 3.16Å
559Y87.4Confident79.5Confident144 Ų14468.4 Ų68.457%0.56536%0.36SS*.Hα-helixtrans-61.7-48.1173.9-174.6-96.8000111.4V221 R225 C555 I556 S561V221-Y559 HydrophobicContact CG1-CD2 4.22Å; R225-Y559 VanDerWaalsContact NH2-CA 3.3Å; R225-Y559 PolarHBondContact NH2-O 3.23Å; C555-Y559 WeakPolarHBondContact O-CB 3.4Å; C555-Y559 PolarHBondContact O-N 3.03Å; I556-Y559 PolarHBondContact O-N 2.8Å; Y559-S561 PolarHBondContact O-N 2.9Å
560F85.8Confident78.9Confident109 Ų10969.5 Ų69.548%0.47837%0.367SS..THydrogen-bonded Turntrans-82.94.3177.3-69.9-67.2000114.3I556 L562I556-F560 HydrophobicContact CG2-CD2 3.71Å; I556-F560 HydrophobicContact CG2-CE2 3.85Å; I556-F560 VanDerWaalsContact O-CD2 3.28Å; I556-F560 WeakPolarHBondContact O-CD2 3.25Å; I556-F560 PolarHBondContact O-N 3.3Å; F560-L562 HydrophobicContact CB-CD1 4.2Å; F560-L562 HydrophobicContact CB-CG 3.96Å; F560-L562 PolarHBondContact O-N 2.9Å; F560-L562 VanDerWaalsContact O-N 3.16Å
561S79.1Confident77.3Confident28 Ų2869.1 Ų69.120%0.19638%0.379CS..THydrogen-bonded Turntrans51.135.6-175.656.40000112.7A557 T558 Y559 G563 T564 R565A557-S561 PolarHBondContact O-N 3.38Å; A557-S561 VanDerWaalsContact O-N 3.08Å; T558-S561 PolarHBondContact O-N 3.16Å; Y559-S561 PolarHBondContact O-N 2.9Å; S561-G563 PolarHBondContact O-N 3.45Å; S561-T564 PolarHBondContact O-N 3.04Å; S561-T564 PolarHBondContact O-OG1 2.75Å; S561-R565 WeakPolarHBondContact O-CG 3.38Å; S561-R565 PolarHBondContact O-N 3.16Å
562L76.1Confident75.6Confident88 Ų8874.8 Ų74.846%0.46140%0.404SS..Hα-helixtrans-61.5-33.3-177.2-80164.9000112.1A557 F560 R565 C566A557-L562 HydrophobicContact CB-CB 4.35Å; A557-L562 HydrophobicContact CB-CD1 4.34Å; A557-L562 PolarHBondContact O-N 3.17Å; F560-L562 HydrophobicContact CB-CD1 4.2Å; F560-L562 HydrophobicContact CB-CG 3.96Å; F560-L562 PolarHBondContact O-N 2.9Å; F560-L562 VanDerWaalsContact O-N 3.16Å; L562-R565 PolarHBondContact O-N 2.86Å; L562-C566 VanDerWaalsContact O-CB 3.3Å; L562-C566 WeakPolarHBondContact O-CB 3.13Å; L562-C566 PolarHBondContact O-N 2.75Å
563G69.9Low73.8Confident44 Ų4479.7 Ų79.745%0.45442%0.424SS..Hα-helixtrans-61.8-46.217800000113.2S561 C566 L567S561-G563 PolarHBondContact O-N 3.45Å; G563-C566 PolarHBondContact O-N 3.45Å; G563-L567 WeakPolarHBondContact O-CG 3.27Å; G563-L567 PolarHBondContact O-N 3.5Å
564T66.9Low71.8Confident33 Ų3381.8 Ų81.820%0.20243%0.432CS..Hα-helixtrans-70-38178.752.20000111.5S561 L567 N568 D577S561-T564 PolarHBondContact O-N 3.04Å; S561-T564 PolarHBondContact O-OG1 2.75Å; T564-L567 PolarHBondContact O-N 2.9Å; T564-N568 WeakPolarHBondContact O-CB 3.38Å; T564-N568 PolarHBondContact O-N 3.24Å; T564-D577 HydrophobicContact CG2-CB 3.65Å
565R70Confident69.9Low134 Ų13483.4 Ų83.451%0.50644%0.438SS..Hα-helixtrans-63.6-40.3174.8-68.2177.5178.6-170.4-0.9112.7S561 L562 N568 L569S561-R565 WeakPolarHBondContact O-CG 3.38Å; S561-R565 PolarHBondContact O-N 3.16Å; L562-R565 PolarHBondContact O-N 2.86Å; R565-N568 PolarHBondContact O-N 3.34Å; R565-L569 PolarHBondContact O-N 2.83Å
566C66.8Low67.9Low70 Ų7084.7 Ų84.747%0.47344%0.442SS..Hα-helixtrans-67.2-42.4175.8-171.10000111.7L562 G563 N568 L569 L570L562-C566 VanDerWaalsContact O-CB 3.3Å; L562-C566 WeakPolarHBondContact O-CB 3.13Å; L562-C566 PolarHBondContact O-N 2.75Å; G563-C566 PolarHBondContact O-N 3.45Å; C566-N568 VanDerWaalsContact C-N 3.29Å; C566-N568 PolarHBondContact O-N 3.1Å; C566-L569 WeakPolarHBondContact O-CB 3.46Å; C566-L569 PolarHBondContact O-N 3.36Å; C566-L570 WeakPolarHBondContact O-CG 3.09Å; C566-L570 PolarHBondContact O-N 3.34Å
567L64.3Low66Low66 Ų6683.9 Ų83.935%0.34644%0.439SS..Hα-helixtrans-64.4-33.3175-71.8171.5000112.7G563 T564 L570 G571 F572 F575G563-L567 WeakPolarHBondContact O-CG 3.27Å; G563-L567 PolarHBondContact O-N 3.5Å; T564-L567 PolarHBondContact O-N 2.9Å; L567-L570 CarbonylContact O-C 3.58Å; L567-L570 PolarHBondContact O-N 3Å; L567-G571 PolarHBondContact O-N 2.95Å; L567-F572 PolarHBondContact O-N 3.41Å; L567-F572 VanDerWaalsContact O-N 3.07Å; L567-F575 HydrophobicContact CD1-CB 4.3Å
568N63.7Low64.3Low66 Ų6684.5 Ų84.535%0.35344%0.439SS..Hα-helixtrans-65.4-44.1172.8-1674.3000111.2T564 R565 C566 L570 G571 E580T564-N568 WeakPolarHBondContact O-CB 3.38Å; T564-N568 PolarHBondContact O-N 3.24Å; R565-N568 PolarHBondContact O-N 3.34Å; C566-N568 VanDerWaalsContact C-N 3.29Å; C566-N568 PolarHBondContact O-N 3.1Å; N568-L570 PolarHBondContact O-N 3.36Å; N568-G571 PolarHBondContact O-N 2.82Å; N568-E580 PolarHBondContact ND2-OE2 3.48Å
569L66.6Low62.4Low157 Ų15786.4 Ų86.482%0.82245%0.453SS*.Hα-helixtrans-58.7-32.5172-94.5150.5000113.2R565 C566 G571R565-L569 PolarHBondContact O-N 2.83Å; C566-L569 WeakPolarHBondContact O-CB 3.46Å; C566-L569 PolarHBondContact O-N 3.36Å; L569-G571 VanDerWaalsContact C-N 3.28Å
570L70.4Confident60.9Low114 Ų11484 Ų8460%0.59745%0.447SS*.THydrogen-bonded Turntrans-843176.3-67.3168.5000113.7C566 L567 N568 F572C566-L570 WeakPolarHBondContact O-CG 3.09Å; C566-L570 PolarHBondContact O-N 3.34Å; L567-L570 CarbonylContact O-C 3.58Å; L567-L570 PolarHBondContact O-N 3Å; N568-L570 PolarHBondContact O-N 3.36Å; L570-F572 HydrophobicContact CB-CD2 3.95Å; L570-F572 HydrophobicContact CB-CE2 4.21Å
571G50Low59.8Low58 Ų5881.5 Ų81.560%0.59844%0.438SS*.THydrogen-bonded Turntrans82.98.7173.700000115.7L567 N568 L569 Q573L567-G571 PolarHBondContact O-N 2.95Å; N568-G571 PolarHBondContact O-N 2.82Å; L569-G571 VanDerWaalsContact C-N 3.28Å; G571-Q573 PolarHBondContact O-N 2.92Å; G571-Q573 VanDerWaalsContact O-N 3.15Å
572F51.4Low59.7Low119 Ų11982.7 Ų82.752%0.52244%0.444SS..  trans-8974.7179.1-65.4-81000112L567 L570 Q574 F575L567-F572 PolarHBondContact O-N 3.41Å; L567-F572 VanDerWaalsContact O-N 3.07Å; L570-F572 HydrophobicContact CB-CD2 3.95Å; L570-F572 HydrophobicContact CB-CE2 4.21Å; F572-Q574 PolarHBondContact O-N 2.8Å; F572-F575 HydrophobicContact CB-CD2 3.95Å; F572-F575 PolarHBondContact O-N 3.41Å
573Q50.3Low59.9Low142 Ų14281.8 Ų81.866%0.66445%0.445SS*.G310 helixtrans-62.2-21.8177-72.2176.2-2200113.5G571 F575 M576G571-Q573 PolarHBondContact O-N 2.92Å; G571-Q573 VanDerWaalsContact O-N 3.15Å; Q573-F575 PolarHBondContact O-N 2.9Å; Q573-F575 VanDerWaalsContact O-N 3.17Å; Q573-M576 WeakPolarHBondContact O-CG 3.46Å; Q573-M576 PolarHBondContact O-N 3.38Å
574Q48.6Very low60.7Low155 Ų15585 Ų8572%0.72445%0.452SS*.G310 helixtrans-63.9-19.7178.6-164.4173.611.600113.5F572F572-Q574 PolarHBondContact O-N 2.8Å
575F48.2Very low61.6Low72 Ų7285.7 Ų85.732%0.31645%0.454SS..G310 helixtrans-103.221.1178.3-61.7-71.5000114.1F472 L567 F572 Q573 D577F472-F575 AromaticContact CD1-CZ 3.87Å; F472-F575 HydrophobicContact CD1-CZ 3.87Å; F472-F575 HydrophobicContact CE1-CZ 4.08Å; L567-F575 HydrophobicContact CD1-CB 4.3Å; F572-F575 HydrophobicContact CB-CD2 3.95Å; F572-F575 PolarHBondContact O-N 3.41Å; Q573-F575 PolarHBondContact O-N 2.9Å; Q573-F575 VanDerWaalsContact O-N 3.17Å; F575-D577 VanDerWaalsContact C-N 3.34Å; F575-D577 PolarHBondContact O-N 3.05Å
576M47.6Very low62.6Low41 Ų4180.1 Ų80.120%0.20243%0.434CS..  trans-56.997.7168.7-77.6177.971.200109.8K246 Q573 E580K246-M576 PolarHBondContact NZ-O 3.36Å; Q573-M576 WeakPolarHBondContact O-CG 3.46Å; Q573-M576 PolarHBondContact O-N 3.38Å; M576-E580 HydrophobicContact CE-CB 4.08Å; M576-E580 WeakPolarHBondContact CE-O 3.42Å
577D50.2Low63.7Low69 Ų6980.8 Ų80.837%0.36943%0.433SS..  trans-69.7168.7168.5-151-7.9000109.5T564 F575 S579T564-D577 HydrophobicContact CG2-CB 3.65Å; F575-D577 VanDerWaalsContact C-N 3.34Å; F575-D577 PolarHBondContact O-N 3.05Å; D577-S579 PolarHBondContact O-N 3.16Å
578D50.5Low65.1Low37 Ų3781.2 Ų81.220%0.19843%0.433CS..THydrogen-bonded Turntrans-552.5-169.7-66-46.1000116.4K239 K243K239-D578 HydrophobicContact CD-CB 4.47Å; K239-D578 WeakPolarHBondContact CE-OD2 3.36Å; K239-D578 VanDerWaalsContact NZ-CG 3.35Å; K239-D578 IonicContact NZ-OD2 3.62Å; K239-D578 PolarHBondContact NZ-OD2 3.41Å; K243-D578 WeakPolarHBondContact CE-OD1 3.27Å; K243-D578 WeakPolarHBondContact CE-OD2 3.01Å; K243-D578 IonicContact NZ-OD1 2.95Å; K243-D578 PolarHBondContact NZ-OD1 2.91Å; K243-D578 IonicContact NZ-OD2 3.89Å; K243-D578 PolarHBondContact NZ-OD2 3.44Å
579S47.5Very low66.5Low68 Ų6878.1 Ų78.148%0.47642%0.416SS..THydrogen-bonded Turntrans-87.6-25.4-172.7560000115.9D577D577-S579 PolarHBondContact O-N 3.16Å
580E55.2Low67.8Low93 Ų9373.5 Ų73.544%0.43539%0.39SS..SBendtrans-120.974.4174.6-78.4179.5176.100108.8N568 M576 T582N568-E580 PolarHBondContact ND2-OE2 3.48Å; M576-E580 HydrophobicContact CE-CB 4.08Å; M576-E580 WeakPolarHBondContact CE-O 3.42Å; E580-T582 PolarHBondContact O-N 2.94Å; E580-T582 VanDerWaalsContact O-N 3.16Å
581M63.5Low68.9Low57 Ų5774.1 Ų74.128%0.28139%0.39SS..  trans-74.9102.4179.3-158179.35200109M238 F242 S583 I586M238-M581 HydrophobicContact CB-CE 3.31Å; M238-M581 HydrophobicContact CB-SD 3.85Å; M238-M581 HydrophobicContact CG-CE 4.25Å; M238-M581 VanDerWaalsContact O-SD 3.36Å; F242-M581 HydrophobicContact CB-CG 3.61Å; F242-M581 HydrophobicContact CB-SD 3.88Å; F242-M581 HydrophobicContact CD1-CG 4.38Å; F242-M581 HydrophobicContact CD2-CG 3.65Å; F242-M581 HydrophobicContact CE2-CG 4.31Å; F242-M581 HydrophobicContact CG-CG 3.65Å; F242-M581 HydrophobicContact CG-SD 4.5Å; M581-S583 PolarHBondContact O-N 3.21Å; M581-I586 HydrophobicContact CB-CD1 4.16Å; M581-I586 HydrophobicContact CE-CD1 3.32Å; M581-I586 HydrophobicContact CE-CG1 3.95Å; M581-I586 HydrophobicContact CG-CD1 3.49Å; M581-I586 VanDerWaalsContact CG-CD1 3.49Å; M581-I586 HydrophobicContact CG-CG1 3.47Å; M581-I586 VanDerWaalsContact CG-CG1 3.47Å; M581-I586 HydrophobicContact SD-CD1 3.74Å; M581-I586 HydrophobicContact SD-CG1 3.7Å
582T76.1Confident71Confident53 Ų5372.9 Ų72.933%0.32537%0.369SS..  trans-63.4132.1176.5-44.70000110.2E580 D584 L585 I586E580-T582 PolarHBondContact O-N 2.94Å; E580-T582 VanDerWaalsContact O-N 3.16Å; T582-D584 HydrophobicContact CG2-CB 4.21Å; T582-D584 PolarHBondContact O-N 3.16Å; T582-L585 PolarHBondContact O-N 2.91Å; T582-I586 WeakPolarHBondContact O-CD1 3.4Å; T582-I586 WeakPolarHBondContact O-CG1 3.46Å; T582-I586 PolarHBondContact O-N 3.37Å
583S81.1Confident73Confident69 Ų6967.2 Ų67.248%0.48334%0.344SS..Hα-helixtrans-47.2-44.6174.443.80000112M581 L585 I586 D587M581-S583 PolarHBondContact O-N 3.21Å; S583-L585 PolarHBondContact O-N 3.44Å; S583-I586 WeakPolarHBondContact O-CB 3.28Å; S583-I586 PolarHBondContact O-N 2.99Å; S583-I586 VanDerWaalsContact O-N 3.12Å; S583-D587 PolarHBondContact O-N 3.19Å
584D86.3Confident75Confident113 Ų11366 Ų6660%0.60433%0.334SS*.Hα-helixtrans-66.4-42.2-170.6-50.2-8.3000111.5T582 I586 D587 E588T582-D584 HydrophobicContact CG2-CB 4.21Å; T582-D584 PolarHBondContact O-N 3.16Å; D584-I586 VanDerWaalsContact C-N 3.32Å; D584-I586 PolarHBondContact O-N 2.77Å; D584-D587 PolarHBondContact O-N 2.86Å; D584-E588 WeakPolarHBondContact O-CB 3.44Å; D584-E588 PolarHBondContact O-N 2.88Å
585L86.4Confident77.1Confident46 Ų4666.9 Ų66.924%0.24133%0.331CS..Hα-helixtrans-69.4-29.7176.5-72.6172.3000112.5F242 S245 T582 S583 G589F242-L585 HydrophobicContact CD2-CB 3.75Å; F242-L585 HydrophobicContact CD2-CD1 4.12Å; F242-L585 HydrophobicContact CE2-CB 4.07Å; F242-L585 HydrophobicContact CE2-CD1 3.56Å; F242-L585 HydrophobicContact CE2-CG 4.48Å; F242-L585 HydrophobicContact CZ-CD1 4.46Å; S245-L585 WeakPolarHBondContact CB-O 3.4Å; S245-L585 WeakPolarHBondContact OG-CD2 3.33Å; T582-L585 PolarHBondContact O-N 2.91Å; S583-L585 PolarHBondContact O-N 3.44Å; L585-G589 PolarHBondContact O-N 3.44Å
586I89.9Confident79.2Confident17 Ų1765.7 Ų65.79%0.08733%0.326CS..Hα-helixtrans-70-46.6174.5-60.9154.1000109.5M238 Y241 F242 M581 T582 S583 D584 G589 K590M238-I586 HydrophobicContact SD-CG2 3.68Å; Y241-I586 HydrophobicContact CD2-CG2 4.24Å; F242-I586 HydrophobicContact CB-CG1 4.27Å; M581-I586 HydrophobicContact CB-CD1 4.16Å; M581-I586 HydrophobicContact CE-CD1 3.32Å; M581-I586 HydrophobicContact CE-CG1 3.95Å; M581-I586 HydrophobicContact CG-CD1 3.49Å; M581-I586 VanDerWaalsContact CG-CD1 3.49Å; M581-I586 HydrophobicContact CG-CG1 3.47Å; M581-I586 VanDerWaalsContact CG-CG1 3.47Å; M581-I586 HydrophobicContact SD-CD1 3.74Å; M581-I586 HydrophobicContact SD-CG1 3.7Å; T582-I586 WeakPolarHBondContact O-CD1 3.4Å; T582-I586 WeakPolarHBondContact O-CG1 3.46Å; T582-I586 PolarHBondContact O-N 3.37Å; S583-I586 WeakPolarHBondContact O-CB 3.28Å; S583-I586 PolarHBondContact O-N 2.99Å; S583-I586 VanDerWaalsContact O-N 3.12Å; D584-I586 VanDerWaalsContact C-N 3.32Å; D584-I586 PolarHBondContact O-N 2.77Å; I586-G589 PolarHBondContact O-N 2.9Å; I586-K590 WeakPolarHBondContact O-CB 3.14Å; I586-K590 PolarHBondContact O-N 2.8Å
587D91Very high81.1Confident84 Ų8465.6 Ų65.645%0.44932%0.323SS..Hα-helixtrans-65.7-43.1-178.6-73.7-31.3000111.1S583 D584 G589 K590 E591S583-D587 PolarHBondContact O-N 3.19Å; D584-D587 PolarHBondContact O-N 2.86Å; D587-G589 PolarHBondContact O-N 3.24Å; D587-K590 WeakPolarHBondContact O-CB 3.45Å; D587-K590 PolarHBondContact O-N 3.16Å; D587-E591 WeakPolarHBondContact O-CG 3.49Å; D587-E591 PolarHBondContact O-N 3.2Å
588E92.4Very high83Confident76 Ų7669.8 Ų69.836%0.35533%0.334SS..Hα-helixtrans-56.9-50170.4-174.6-169.6-168.300111.2S245 D584 K590 E591 L592S245-E588 PolarHBondContact OG-OE2 2.91Å; D584-E588 WeakPolarHBondContact O-CB 3.44Å; D584-E588 PolarHBondContact O-N 2.88Å; E588-K590 VanDerWaalsContact C-N 3.26Å; E588-K590 PolarHBondContact O-N 2.81Å; E588-E591 PolarHBondContact O-N 2.96Å; E588-E591 VanDerWaalsContact O-N 3.15Å; E588-L592 HydrophobicContact CG-CD1 4.12Å; E588-L592 HydrophobicContact CG-CG 4.48Å; E588-L592 VanDerWaalsContact O-CG 3.28Å; E588-L592 WeakPolarHBondContact O-CG 3.3Å; E588-L592 PolarHBondContact O-N 2.98Å
589G92.6Very high84.9Confident0 Ų073 Ų730%035%0.346CS..Hα-helixtrans-58.1-3817800000113.5Y241 L585 I586 D587 I593Y241-G589 WeakPolarHBondContact O-CA 3.49Å; L585-G589 PolarHBondContact O-N 3.44Å; I586-G589 PolarHBondContact O-N 2.9Å; D587-G589 PolarHBondContact O-N 3.24Å; G589-I593 WeakPolarHBondContact O-CG1 3.41Å; G589-I593 PolarHBondContact O-N 3.33Å
590K93.6Very high86.8Confident60 Ų6073 Ų7326%0.26134%0.335SS..Hα-helixtrans-67.4-43176.3-171.5-173.9-165.7-176.70111.6Y241 I586 D587 E588 I593 R594Y241-K590 HydrophobicContact CD1-CB 4.07Å; Y241-K590 HydrophobicContact CD1-CG 4.49Å; Y241-K590 HydrophobicContact CD2-CB 4.31Å; Y241-K590 HydrophobicContact CD2-CG 4.49Å; Y241-K590 HydrophobicContact CE1-CB 4.25Å; Y241-K590 HydrophobicContact CE1-CG 4.17Å; Y241-K590 HydrophobicContact CE2-CB 4.44Å; Y241-K590 HydrophobicContact CE2-CG 4.14Å; Y241-K590 HydrophobicContact CG-CB 4.15Å; I586-K590 WeakPolarHBondContact O-CB 3.14Å; I586-K590 PolarHBondContact O-N 2.8Å; D587-K590 WeakPolarHBondContact O-CB 3.45Å; D587-K590 PolarHBondContact O-N 3.16Å; E588-K590 VanDerWaalsContact C-N 3.26Å; E588-K590 PolarHBondContact O-N 2.81Å; K590-I593 PolarHBondContact O-N 3.18Å; K590-R594 WeakPolarHBondContact O-CB 3.32Å; K590-R594 VanDerWaalsContact O-CG 3.24Å; K590-R594 WeakPolarHBondContact O-CG 3.33Å; K590-R594 PolarHBondContact O-N 3.08Å
591E94.3Very high88.3Confident128 Ų12873.1 Ų73.160%0.59834%0.336SS*.Hα-helixtrans-65.1-41.2175.4-71.9-172.6176.300112.4D587 E588 R594 R595D587-E591 WeakPolarHBondContact O-CG 3.49Å; D587-E591 PolarHBondContact O-N 3.2Å; E588-E591 PolarHBondContact O-N 2.96Å; E588-E591 VanDerWaalsContact O-N 3.15Å; E591-R594 PolarHBondContact O-N 2.84Å; E591-R595 WeakPolarHBondContact O-CB 3.3Å; E591-R595 PolarHBondContact O-N 3.45Å
592L93.5Very high89.5Confident31 Ų3178.6 Ų78.616%0.16235%0.354CS..Hα-helixtrans-59.2-47.8175.3-71169.4000111.5M248 W341 E588 R594 R595 E596M248-L592 HydrophobicContact CB-CD1 3.94Å; M248-L592 HydrophobicContact CE-CD1 3.74Å; M248-L592 HydrophobicContact CE-CD2 4.03Å; M248-L592 HydrophobicContact CG-CD1 3.94Å; M248-L592 HydrophobicContact CG-CD2 4.23Å; W341-L592 HydrophobicContact CH2-CB 4.32Å; E588-L592 HydrophobicContact CG-CD1 4.12Å; E588-L592 HydrophobicContact CG-CG 4.48Å; E588-L592 VanDerWaalsContact O-CG 3.28Å; E588-L592 WeakPolarHBondContact O-CG 3.3Å; E588-L592 PolarHBondContact O-N 2.98Å; L592-R594 PolarHBondContact O-N 3.46Å; L592-R595 PolarHBondContact O-N 2.78Å; L592-E596 PolarHBondContact O-N 3.33Å
593I93.7Very high90.1Very high1 Ų180.4 Ų80.41%0.00536%0.361CS..Hα-helixtrans-64.6-41.3177.9-75.5162.7000111Y241 A244 L345 A348 G589 K590 R595 E596 R597Y241-I593 HydrophobicContact CD1-CD1 3.46Å; Y241-I593 VanDerWaalsContact CD1-CD1 3.46Å; Y241-I593 HydrophobicContact CE1-CB 4.31Å; Y241-I593 HydrophobicContact CE1-CD1 3.82Å; Y241-I593 HydrophobicContact CE1-CG2 4.33Å; A244-I593 HydrophobicContact CB-CD1 3.63Å; A244-I593 HydrophobicContact CB-CG1 4.22Å; L345-I593 HydrophobicContact CD1-CB 4.42Å; L345-I593 HydrophobicContact CD1-CG1 4.05Å; L345-I593 HydrophobicContact CD1-CG2 4.12Å; A348-I593 HydrophobicContact CB-CD1 3.43Å; A348-I593 VanDerWaalsContact CB-CD1 3.43Å; A348-I593 HydrophobicContact CB-CG1 4.18Å; A348-I593 HydrophobicContact CB-CG2 4.2Å; G589-I593 WeakPolarHBondContact O-CG1 3.41Å; G589-I593 PolarHBondContact O-N 3.33Å; K590-I593 PolarHBondContact O-N 3.18Å; I593-R595 VanDerWaalsContact C-N 3.33Å; I593-R595 PolarHBondContact O-N 3.03Å; I593-E596 PolarHBondContact O-N 3.03Å; I593-R597 WeakPolarHBondContact O-CB 3.36Å; I593-R597 PolarHBondContact O-N 3.38Å
594R92.5Very high90.3Very high115 Ų11580.2 Ų80.243%0.43435%0.352SS..Hα-helixtrans-61.8-38.9174.1-74.8167.6174.9164.9-14.2112.6K590 E591 L592 R598K590-R594 WeakPolarHBondContact O-CB 3.32Å; K590-R594 VanDerWaalsContact O-CG 3.24Å; K590-R594 WeakPolarHBondContact O-CG 3.33Å; K590-R594 PolarHBondContact O-N 3.08Å; E591-R594 PolarHBondContact O-N 2.84Å; L592-R594 PolarHBondContact O-N 3.46Å; R594-R598 WeakPolarHBondContact O-CG 3.45Å; R594-R598 PolarHBondContact O-N 3.42Å; R594-R598 PolarHBondContact O-NE 3.38Å
595R93.1Very high90.3Very high175 Ų17578.3 Ų78.366%0.6634%0.342SS*.Hα-helixtrans-65.2-48.4177.3-175.8179-178.11680.5111E591 L592 I593 R598 K599E591-R595 WeakPolarHBondContact O-CB 3.3Å; E591-R595 PolarHBondContact O-N 3.45Å; L592-R595 PolarHBondContact O-N 2.78Å; I593-R595 VanDerWaalsContact C-N 3.33Å; I593-R595 PolarHBondContact O-N 3.03Å; R595-R598 PolarHBondContact O-N 3.17Å; R595-K599 PolarHBondContact O-N 3.33Å
596E91.4Very high90.4Very high46 Ų4677.4 Ų77.422%0.21534%0.344CS..Hα-helixtrans-66.6-37.3177.6-79.3-60155.600112.5W341 L345 L592 I593 K599 R600W341-E596 HydrophobicContact CZ2-CG 3.9Å; L345-E596 HydrophobicContact CD1-CB 4.12Å; L345-E596 HydrophobicContact CD2-CB 3.75Å; L345-E596 HydrophobicContact CD2-CG 4.21Å; L592-E596 PolarHBondContact O-N 3.33Å; I593-E596 PolarHBondContact O-N 3.03Å; E596-K599 WeakPolarHBondContact O-CB 3.42Å; E596-K599 PolarHBondContact O-N 2.76Å; E596-R600 WeakPolarHBondContact O-CG 3.27Å; E596-R600 PolarHBondContact O-N 3.06Å
597R88.6Confident90.3Very high39 Ų3981.2 Ų81.215%0.14736%0.361CS..Hα-helixtrans-59.2-49.1173.6-176.5179.4173.5146.39.7111.6E352 S368 F369 I593 K599 R600 Q601E352-R597 IonicContact OE2-CZ 3.18Å; E352-R597 IonicContact OE2-NH1 2.94Å; E352-R597 PolarHBondContact OE2-NH1 3.26Å; S368-R597 VanDerWaalsContact CB-NH2 3.34Å; S368-R597 PolarHBondContact OG-NH2 2.9Å; F369-R597 HydrophobicContact CE2-CG 3.92Å; F369-R597 HydrophobicContact CZ-CG 3.8Å; I593-R597 WeakPolarHBondContact O-CB 3.36Å; I593-R597 PolarHBondContact O-N 3.38Å; R597-K599 VanDerWaalsContact C-N 3.27Å; R597-K599 PolarHBondContact O-N 3.3Å; R597-R600 PolarHBondContact O-N 2.94Å; R597-Q601 WeakPolarHBondContact O-CB 3.18Å; R597-Q601 PolarHBondContact O-N 3.11Å
598R90Very high90.1Very high157 Ų15780.3 Ų80.359%0.59236%0.357SS*.Hα-helixtrans-60.1-37.7174.7-75.5-176.2-71.6162.8-5.8112R594 R595 R602R594-R598 WeakPolarHBondContact O-CG 3.45Å; R594-R598 PolarHBondContact O-N 3.42Å; R594-R598 PolarHBondContact O-NE 3.38Å; R595-R598 PolarHBondContact O-N 3.17Å; R598-R602 WeakPolarHBondContact O-CG 3.42Å; R598-R602 PolarHBondContact O-N 3.32Å; R598-R602 VanDerWaalsContact O-N 3.08Å
599K89.9Confident89.8Confident105 Ų10584.8 Ų84.846%0.45737%0.37SS..Hα-helixtrans-63.6-47175.1-172.8-179.5177.1-177.60111.5R595 E596 R597 R602 I603R595-K599 PolarHBondContact O-N 3.33Å; E596-K599 WeakPolarHBondContact O-CB 3.42Å; E596-K599 PolarHBondContact O-N 2.76Å; R597-K599 VanDerWaalsContact C-N 3.27Å; R597-K599 PolarHBondContact O-N 3.3Å; K599-R602 PolarHBondContact O-N 2.97Å; K599-I603 HydrophobicContact CG-CD1 4.33Å; K599-I603 WeakPolarHBondContact O-CG1 3.44Å; K599-I603 PolarHBondContact O-N 3.28Å
600R87.1Confident89.5Confident67 Ų6792.3 Ų92.325%0.25340%0.398SS..Hα-helixtrans-61.9-45.3176.7-73.5-177.8176.5-167.5-2.3112.2F369 E596 R597 R602 I603 E604F369-R600 HydrophobicContact CE1-CB 3.95Å; F369-R600 HydrophobicContact CZ-CB 4.16Å; E596-R600 WeakPolarHBondContact O-CG 3.27Å; E596-R600 PolarHBondContact O-N 3.06Å; R597-R600 PolarHBondContact O-N 2.94Å; R600-R602 VanDerWaalsContact C-N 3.34Å; R600-R602 PolarHBondContact O-N 2.88Å; R600-I603 PolarHBondContact O-N 2.92Å; R600-I603 VanDerWaalsContact O-N 3.12Å; R600-E604 PolarHBondContact O-N 3.34Å
601Q87.4Confident89.1Confident96 Ų9696 Ų9645%0.44941%0.411SS..Hα-helixtrans-58.5-45.7177.8-174.2173.61.100111.5R597 I603 E604 D605R597-Q601 WeakPolarHBondContact O-CB 3.18Å; R597-Q601 PolarHBondContact O-N 3.11Å; Q601-I603 VanDerWaalsContact C-N 3.29Å; Q601-I603 PolarHBondContact O-N 3.34Å; Q601-E604 PolarHBondContact O-N 3.21Å; Q601-D605 WeakPolarHBondContact O-CB 3.28Å; Q601-D605 PolarHBondContact O-N 2.86Å
602R89Confident88.8Confident172 Ų17294.1 Ų94.165%0.64940%0.402SS*.Hα-helixtrans-60.5-35.9175.8-74-174.2-65.6-169.53113.6R598 K599 R600 G606R598-R602 WeakPolarHBondContact O-CG 3.42Å; R598-R602 PolarHBondContact O-N 3.32Å; R598-R602 VanDerWaalsContact O-N 3.08Å; K599-R602 PolarHBondContact O-N 2.97Å; R600-R602 VanDerWaalsContact C-N 3.34Å; R600-R602 PolarHBondContact O-N 2.88Å; R602-G606 PolarHBondContact O-N 2.99Å
603I87.8Confident88.4Confident92 Ų92100.8 Ų100.847%0.47243%0.425SS..Hα-helixtrans-68.7-46.7177.3-66.9165.4000109.9K599 R600 Q601 G606 E607K599-I603 HydrophobicContact CG-CD1 4.33Å; K599-I603 WeakPolarHBondContact O-CG1 3.44Å; K599-I603 PolarHBondContact O-N 3.28Å; R600-I603 PolarHBondContact O-N 2.92Å; R600-I603 VanDerWaalsContact O-N 3.12Å; Q601-I603 VanDerWaalsContact C-N 3.29Å; Q601-I603 PolarHBondContact O-N 3.34Å; I603-G606 WeakPolarHBondContact O-CA 3.43Å; I603-G606 PolarHBondContact O-N 2.94Å; I603-E607 PolarHBondContact O-N 2.85Å
604E85.6Confident88Confident65 Ų65106.9 Ų106.930%0.30445%0.451SS..Hα-helixtrans-65.5-42.5179.1-170.8171.1-166.900112.2F369 R600 Q601 G606 E607 N608F369-E604 VanDerWaalsContact CD1-OE2 3.27Å; F369-E604 WeakPolarHBondContact CD1-OE2 2.96Å; R600-E604 PolarHBondContact O-N 3.34Å; Q601-E604 PolarHBondContact O-N 3.21Å; E604-G606 VanDerWaalsContact C-N 3.27Å; E604-G606 PolarHBondContact O-N 3.07Å; E604-E607 PolarHBondContact O-N 2.88Å; E604-E607 VanDerWaalsContact O-N 3.16Å; E604-N608 WeakPolarHBondContact O-CB 3.32Å; E604-N608 PolarHBondContact O-N 2.83Å
605D86.3Confident87.5Confident72 Ų72108.6 Ų108.639%0.38546%0.464SS..Hα-helixtrans-63.4-34.8173.5-66.7-22000111.4Q601 R609Q601-D605 WeakPolarHBondContact O-CB 3.28Å; Q601-D605 PolarHBondContact O-N 2.86Å; D605-R609 WeakPolarHBondContact O-CB 3.31Å; D605-R609 WeakPolarHBondContact O-CG 3.46Å; D605-R609 PolarHBondContact O-N 2.98Å; D605-R609 PolarHBondContact O-NE 3.5Å
606G89.2Confident87Confident28 Ų28108.5 Ų108.529%0.28946%0.464SS..Hα-helixtrans-64.9-44.6171.400000112.5R602 I603 E604 R610R602-G606 PolarHBondContact O-N 2.99Å; I603-G606 WeakPolarHBondContact O-CA 3.43Å; I603-G606 PolarHBondContact O-N 2.94Å; E604-G606 VanDerWaalsContact C-N 3.27Å; E604-G606 PolarHBondContact O-N 3.07Å; G606-R610 WeakPolarHBondContact O-CB 2.9Å; G606-R610 PolarHBondContact O-N 3.23Å
607E86.8Confident86.2Confident96 Ų96113.2 Ų113.245%0.44948%0.481SS..Hα-helixtrans-67-43.5176.8-75.7-167-17100112.7I603 E604 R610 R611I603-E607 PolarHBondContact O-N 2.85Å; E604-E607 PolarHBondContact O-N 2.88Å; E604-E607 VanDerWaalsContact O-N 3.16Å; E607-R610 CarbonylContact O-C 3.53Å; E607-R610 WeakPolarHBondContact O-CA 3.44Å; E607-R610 WeakPolarHBondContact O-CB 2.98Å; E607-R610 PolarHBondContact O-N 3.36Å; E607-R610 VanDerWaalsContact O-N 3.11Å; E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.13Å; E607-R611 IonicContact OE2-NH2 3.34Å; E607-R611 PolarHBondContact OE2-NH2 3.45Å
608N86.7Confident84.9Confident66 Ų66113.1 Ų113.135%0.35349%0.492SS..Hα-helixtrans-62.2-45.9177.1-79.9-12000110.5E604 R610 R611 E612E604-N608 WeakPolarHBondContact O-CB 3.32Å; E604-N608 PolarHBondContact O-N 2.83Å; N608-R610 VanDerWaalsContact C-N 3.26Å; N608-R610 PolarHBondContact O-N 3.35Å; N608-R611 PolarHBondContact O-N 3.39Å; N608-R611 VanDerWaalsContact O-N 3.14Å; N608-E612 WeakPolarHBondContact O-CB 3.44Å; N608-E612 WeakPolarHBondContact O-CG 3.37Å; N608-E612 PolarHBondContact O-N 3.49Å
609R87.4Confident83.3Confident169 Ų169112 Ų11264%0.63850%0.498SS*.Hα-helixtrans-57.6-40.1171.6-75.4-176.7-66.4176.32112.1D605 W613D605-R609 WeakPolarHBondContact O-CB 3.31Å; D605-R609 WeakPolarHBondContact O-CG 3.46Å; D605-R609 PolarHBondContact O-N 2.98Å; D605-R609 PolarHBondContact O-NE 3.5Å; R609-W613 VanDerWaalsContact O-CB 3.25Å; R609-W613 WeakPolarHBondContact O-CB 3.43Å; R609-W613 PolarHBondContact O-N 3.25Å
610R86.7Confident81.6Confident158 Ų158113.9 Ų113.960%0.59651%0.509SS*.Hα-helixtrans-67.7-37.7176.7-164179.1-162.9-140.15112.7G606 E607 N608 K614G606-R610 WeakPolarHBondContact O-CB 2.9Å; G606-R610 PolarHBondContact O-N 3.23Å; E607-R610 CarbonylContact O-C 3.53Å; E607-R610 WeakPolarHBondContact O-CA 3.44Å; E607-R610 WeakPolarHBondContact O-CB 2.98Å; E607-R610 PolarHBondContact O-N 3.36Å; E607-R610 VanDerWaalsContact O-N 3.11Å; N608-R610 VanDerWaalsContact C-N 3.26Å; N608-R610 PolarHBondContact O-N 3.35Å; R610-K614 WeakPolarHBondContact O-CB 3.28Å; R610-K614 WeakPolarHBondContact O-CG 3.27Å; R610-K614 PolarHBondContact O-N 3.17Å
611R85.2Confident79.9Confident139 Ų139121.5 Ų121.553%0.52554%0.537SS..Hα-helixtrans-68-49.5175.6-72.2178.2-164.1-172.39110.6E607 N608 W613 K614 E615E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.13Å; E607-R611 IonicContact OE2-NH2 3.34Å; E607-R611 PolarHBondContact OE2-NH2 3.45Å; N608-R611 PolarHBondContact O-N 3.39Å; N608-R611 VanDerWaalsContact O-N 3.14Å; R611-W613 VanDerWaalsContact C-N 3.27Å; R611-W613 PolarHBondContact O-N 3.24Å; R611-K614 CarbonylContact O-C 3.55Å; R611-K614 WeakPolarHBondContact O-CA 3.39Å; R611-K614 WeakPolarHBondContact O-CB 3.31Å; R611-K614 PolarHBondContact O-N 3.3Å; R611-K614 VanDerWaalsContact O-N 3.08Å; R611-E615 WeakPolarHBondContact O-CG 3.19Å; R611-E615 PolarHBondContact O-N 3.49Å
612E87.2Confident78Confident87 Ų87125 Ų12541%0.40755%0.554SS.*Hα-helixtrans-58.2-39.8174.7-72.5-179.6-161.200112N608 E615 R616N608-E612 WeakPolarHBondContact O-CB 3.44Å; N608-E612 WeakPolarHBondContact O-CG 3.37Å; N608-E612 PolarHBondContact O-N 3.49Å; E612-E615 PolarHBondContact O-N 3.35Å; E612-R616 VanDerWaalsContact O-CB 3.3Å; E612-R616 WeakPolarHBondContact O-CB 2.94Å; E612-R616 VanDerWaalsContact O-CG 3.32Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.35Å; E612-R616 IonicContact OE2-CZ 3.91Å; E612-R616 IonicContact OE2-NH2 2.74Å; E612-R616 PolarHBondContact OE2-NH2 3.3Å
613W84.4Confident76Confident172 Ų172124 Ų12465%0.65256%0.561SS**Hα-helixtrans-63.9-45.3174.6-175.117.7000111.3R609 R611 E615 R616 Y617R609-W613 VanDerWaalsContact O-CB 3.25Å; R609-W613 WeakPolarHBondContact O-CB 3.43Å; R609-W613 PolarHBondContact O-N 3.25Å; R611-W613 VanDerWaalsContact C-N 3.27Å; R611-W613 PolarHBondContact O-N 3.24Å; W613-E615 PolarHBondContact O-N 3.22Å; W613-R616 PolarHBondContact O-N 3.49Å; W613-Y617 AromaticContact CD1-CD2 3.34Å; W613-Y617 AromaticContact CD1-CE2 3.94Å; W613-Y617 AromaticContact CD1-CG 3.91Å; W613-Y617 AromaticContact NE1-CD2 3.81Å; W613-Y617 AromaticContact NE1-CG 3.99Å; W613-Y617 PolarHBondContact O-N 3.09Å
614K85.5Confident74.2Confident128 Ų128128.4 Ų128.456%0.55758%0.577SS**Hα-helixtrans-62.7-37.9175-78.3-179.4177.7-171.50112.9R610 R611 G618R610-K614 WeakPolarHBondContact O-CB 3.28Å; R610-K614 WeakPolarHBondContact O-CG 3.27Å; R610-K614 PolarHBondContact O-N 3.17Å; R611-K614 CarbonylContact O-C 3.55Å; R611-K614 WeakPolarHBondContact O-CA 3.39Å; R611-K614 WeakPolarHBondContact O-CB 3.31Å; R611-K614 PolarHBondContact O-N 3.3Å; R611-K614 VanDerWaalsContact O-N 3.08Å; K614-G618 WeakPolarHBondContact O-CA 3.26Å; K614-G618 PolarHBondContact O-N 3.27Å
615E82.9Confident71.9Confident151 Ų151128 Ų12871%0.70659%0.591SS**Hα-helixtrans-71.7-40.6177.8-73.3175.3-175.600111.5R611 E612 W613R611-E615 WeakPolarHBondContact O-CG 3.19Å; R611-E615 PolarHBondContact O-N 3.49Å; E612-E615 PolarHBondContact O-N 3.35Å; W613-E615 PolarHBondContact O-N 3.22Å
616R81.6Confident69.8Low174 Ų174131.1 Ų131.166%0.65762%0.615SS**Hα-helixtrans-72.3-33.2179.4-73.9-171.5-116.4-160.9-1.2113.7E612 W613E612-R616 VanDerWaalsContact O-CB 3.3Å; E612-R616 WeakPolarHBondContact O-CB 2.94Å; E612-R616 VanDerWaalsContact O-CG 3.32Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.35Å; E612-R616 IonicContact OE2-CZ 3.91Å; E612-R616 IonicContact OE2-NH2 2.74Å; E612-R616 PolarHBondContact OE2-NH2 3.3Å; W613-R616 PolarHBondContact O-N 3.49Å
617Y75.2Confident67.4Low144 Ų144141 Ų14157%0.56564%0.644SS**Hα-helixtrans-126.8-11.1-170.8-62.4-96000114.8W613 Q620W613-Y617 AromaticContact CD1-CD2 3.34Å; W613-Y617 AromaticContact CD1-CE2 3.94Å; W613-Y617 AromaticContact CD1-CG 3.91Å; W613-Y617 AromaticContact NE1-CD2 3.81Å; W613-Y617 AromaticContact NE1-CG 3.99Å; W613-Y617 PolarHBondContact O-N 3.09Å; Y617-Q620 PolarHBondContact O-N 3.26Å
618G61.9Low65.2Low38 Ų38143.6 Ų143.639%0.39266%0.66SS.*G310 helixtrans-72-31.8179.600000113.5K614 Q620K614-G618 WeakPolarHBondContact O-CA 3.26Å; K614-G618 PolarHBondContact O-N 3.27Å; G618-Q620 PolarHBondContact O-N 3.1Å
619N55Low62.8Low133 Ų133152.4 Ų152.471%0.71169%0.689SS**G310 helixtrans-68.7-15.2175.8-97.210.5000113.8R621N619-R621 VanDerWaalsContact C-N 3.3Å; N619-R621 PolarHBondContact O-N 3.33Å
620Q54.8Low60.1Low145 Ų145149.3 Ų149.368%0.67869%0.693SS**G310 helixtrans-81.1-10.2-176.6-133.51723200113.5Y617 G618Y617-Q620 PolarHBondContact O-N 3.26Å; G618-Q620 PolarHBondContact O-N 3.1Å
621R50.9Low57.5Low227 Ų227147 Ų14786%0.85770%0.701SS**G310 helixtrans-94.5-13.6-179.6-92.8-174.3176-177.70.9114.9N619N619-R621 VanDerWaalsContact C-N 3.3Å; N619-R621 PolarHBondContact O-N 3.33Å
622E48.9Very low54.9Low169 Ų169148.4 Ų148.479%0.7971%0.713SS**SBendtrans-89.2-13.8-180-68.2-166.9163.800113.9
623D45.6Very low52.3Low150 Ų150153 Ų15380%0.80274%0.735SS**SBendtrans-89.9-2.5179.9-94.2-16.8000115.4
624F49.6Very low49.8Very low185 Ų185152.4 Ų152.481%0.81174%0.741SS**SBendtrans-105.478.6170.4-76-82.6000110.5
625G37Very low47.1Very low58 Ų58152.4 Ų152.460%0.59875%0.752SS**  trans-55.4147.7173.800000113.1R627G625-R627 PolarHBondContact O-N 3.3Å; G625-R627 VanDerWaalsContact O-N 3.1Å
626P43.3Very low44.5Very low136 Ų136154.3 Ų154.388%0.88376%0.761SS**  trans-75.6104.3-17830.6-31.4000109.4N628P626-N628 PolarHBondContact O-N 3.28Å
627R38.4Very low42Very low237 Ų237152.7 Ų152.789%0.89477%0.77SS**  trans-88.9108.8173.2-153.5170.2179.2164.5-1.5109.5G625G625-R627 PolarHBondContact O-N 3.3Å; G625-R627 VanDerWaalsContact O-N 3.1Å
628N41.1Very low39.9Very low149 Ų149153 Ų15380%0.79778%0.782SS**  trans47.5112.6155.6-89.2-5.9000119P626P626-N628 PolarHBondContact O-N 3.28Å
629R35.7Very low38.3Very low252 Ų252162.2 Ų162.295%0.95181%0.807SS**  -144.7112.6127.6-136.2171.9178.7174.6-1.8111.3
630S31.2Very low37Very low103 Ų103160.1 Ų160.172%0.7280%0.802SS**  trans-64145.6176.346.80000113
631S31.2Very low35.7Very low111 Ų111162 Ų16278%0.77681%0.811SS**  trans2.4126.4152.6-50.50000119.1
632H31.4Very low34.6Very low168 Ų168156.6 Ų156.678%0.77881%0.808SS**  -153.3107.5126-120.4-74.1000109.9M634H632-M634 WeakPolarHBondContact ND1-CE 3.37Å
633E33Very low33.6Very low183 Ų183153.5 Ų153.586%0.85581%0.805SS**  trans-66.9137.3152.3-84.9173.8130.700108.4
634M30.6Very low32.8Very low159 Ų159157.3 Ų157.378%0.78381%0.808SS**  trans-156.795.7152.4-110.1-175.3-86.500109.3H632H632-M634 WeakPolarHBondContact ND1-CE 3.37Å
635T29.3Very low31.8Very low129 Ų129155.4 Ų155.479%0.79181%0.807SS**  trans24.8125.1132.7-25.60000119.5
636E28.3Very low31.4Very low190 Ų190163.4 Ų163.489%0.88882%0.819SS**  trans-60.7138162.7-71176.5137.600112.7
637T29.7Very low30.8Very low140 Ų140165.7 Ų165.786%0.85982%0.818SS**  trans-142125151.245.10000110.3
638N29.8Very low30.3Very low152 Ų152160.9 Ų160.981%0.81382%0.815SS**  trans-53.8148.2165.3-84.4-30.8000112.7
639Y29Very low29.7Very low230 Ų230162.7 Ų162.790%0.90282%0.815SS**  -178.7163.5122.7-109.4-85.1000111.8
640S28Very low29.4Very low89 Ų89161.3 Ų161.362%0.62281%0.812SS**  trans-90.2164.3-152.549.40000118.6
641E27.1Very low29.2Very low185 Ų185162.2 Ų162.286%0.86482%0.818SS**  trans56.4122.2146.8-78-177.2147.200122.1
642S28.4Very low29Very low113 Ų113168.9 Ų168.979%0.7983%0.826SS**  157.4122.6113-177.40000113.8
643S26.8Very low29.3Very low105 Ų105166.7 Ų166.773%0.73483%0.83SS**  trans27.8127.9142.2-61.70000124.3
644R29.8Very low29.2Very low229 Ų229162.6 Ų162.686%0.86483%0.827SS**  trans85.3121.7135.3-75.2-175-179.7-179.50.4122.1
645D28.1Very low29.5Very low146 Ų146158.5 Ų158.578%0.78183%0.825SS**  trans101.9129.3134.2-86.5-32.9000122.2
646R29.9Very low29.8Very low226 Ų226163.5 Ų163.585%0.85383%0.83SS**  trans85.3107.6156.3-76.4177.1170175.2-2.9121.3
647Q29.3Very low30.3Very low184 Ų184160.9 Ų160.986%0.8683%0.827SS**  trans28.2126.7132.6-79.3179.2-30.600118.9
648V29.4Very low30.5Very low136 Ų136161.6 Ų161.682%0.82482%0.82SS**  179.3117.5120.9151.20000110.5
649K28.5Very low30.8Very low186 Ų186164.6 Ų164.681%0.80982%0.82SS**  52112127.6-128171.2-173.3179.60120.5
650Y28.1Very low31.3Very low224 Ų224160.2 Ų160.288%0.87881%0.812SS**  trans32.3112.5142-77.1-89.9000120.6
651S26.9Very low31.8Very low121 Ų121160.5 Ų160.585%0.84681%0.813SS**  177108.2112.941.60000109.9
652R28.6Very low32.3Very low252 Ų252157.2 Ų157.295%0.95180%0.8SS**  trans-80.3127.1173-119.3178175.4173.9-2.4108.5A654R652-A654 PolarHBondContact O-N 2.89Å
653S36Very low32.7Very low122 Ų122160.3 Ų160.385%0.85380%0.802SS**  trans-63.8112.916561.60000110
654A30.8Very low33.3Very low97 Ų97162.7 Ų162.780%0.80281%0.806SS**  trans-135.4102.6160.500000106.8R652R652-A654 PolarHBondContact O-N 2.89Å
655G38.4Very low33.7Very low72 Ų72159 Ų15974%0.74280%0.803SS**  trans-168.970.5-174.900000111
656R35.3Very low34Very low235 Ų235159.6 Ų159.689%0.88780%0.801SS**SBendtrans-170.50.8146-116.8173.9177.2178.5-0.9118.6
657T37.5Very low34.2Very low134 Ų134156.9 Ų156.982%0.82280%0.803SS**SBendtrans-114.9-5.6-176.138.30000115.9
658E34.9Very low34.7Very low155 Ų155152.8 Ų152.872%0.72480%0.801SS**SBendtrans-93.3-11.4179.1-92179155.600115.3
659R35.5Very low34.9Very low215 Ų215155.1 Ų155.181%0.81180%0.803SS**THydrogen-bonded Turntrans-79.9-22.8-178.4-71.4-172.9-165.6157.14.4114.3C661R659-C661 VanDerWaalsContact C-N 3.28Å; R659-C661 PolarHBondContact O-N 3.3Å
660D40.6Very low35.1Very low139 Ų139151.1 Ų151.174%0.74380%0.796SS**THydrogen-bonded Turntrans-81.1-8.9-178.9-66.7-7.6000112.9
661C38.4Very low35.3Very low95 Ų95148.5 Ų148.564%0.64280%0.796SS**THydrogen-bonded Turntrans-102.6-14.9-178.7-137.60000113.9R659R659-C661 VanDerWaalsContact C-N 3.28Å; R659-C661 PolarHBondContact O-N 3.3Å
662I37.9Very low35.4Very low115 Ų115149.8 Ų149.859%0.5979%0.794SS**THydrogen-bonded Turntrans-93.1-22.5-175.6-65.6174.3000112.1L664I662-L664 VanDerWaalsContact C-N 3.33Å; I662-L664 PolarHBondContact O-N 2.9Å
663E36.5Very low35.5Very low178 Ų178146.8 Ų146.883%0.83279%0.788SS**THydrogen-bonded Turntrans-81.8-7.3-177-138.8172.5-158.900114
664L39.8Very low35.3Very low156 Ų156148.7 Ų148.782%0.81779%0.788SS**THydrogen-bonded Turntrans-980.7178.5-90.9161000114.5I662I662-L664 VanDerWaalsContact C-N 3.33Å; I662-L664 PolarHBondContact O-N 2.9Å
665L37.9Very low35.2Very low152 Ų152147.9 Ų147.980%0.79678%0.782SS**SBendtrans-116.92.8-177-83.5165.7000114.8
666Q34.2Very low34.8Very low158 Ų158151.9 Ų151.974%0.73879%0.786SS**  trans-114.277.2173.3-80.5179.8-22.400110.3
667D33.5Very low34.4Very low168 Ų168146.1 Ų146.190%0.89878%0.782SS**  trans-164.445.9157-96.1-14.5000109.9
668A40.1Very low34Very low98 Ų98147.6 Ų147.681%0.8178%0.784SS**  trans-114.781161.800000107.4
669E33.7Very low33.8Very low186 Ų186147 Ų14787%0.86979%0.791SS**  trans-76.3152.7164.9-87.9-167.4163.100111
670P33.3Very low33.4Very low102 Ų102143.8 Ų143.866%0.66279%0.79SS**  trans-84155.1-153.71.117.8000113D672P670-D672 PolarHBondContact O-N 3.03Å; P670-D672 VanDerWaalsContact O-N 3.13Å
671L32Very low32.9Very low169 Ų169144.8 Ų144.889%0.88580%0.795SS**  trans-65.9101.7161.3-90.8148.7000109.2F673L671-F673 PolarHBondContact O-N 3.41Å
672D28.2Very low32.3Very low148 Ų148143.2 Ų143.279%0.79180%0.795SS**  trans-82104.9168.1-95.5-17.3000110.4P670P670-D672 PolarHBondContact O-N 3.03Å; P670-D672 VanDerWaalsContact O-N 3.13Å
673F31.4Very low31.9Very low188 Ų188145.7 Ų145.783%0.82581%0.809SS**  trans-85.2116.9152.3-108.2-94.6000107L671L671-F673 PolarHBondContact O-N 3.41Å
674N30.8Very low31.5Very low163 Ų163145.8 Ų145.887%0.87281%0.809SS**  trans-153.6134.9150.7-95.9-40.3000112.3
675A28.5Very low30.9Very low80 Ų80142.9 Ų142.966%0.66181%0.807SS**  trans-91.7156.3177.600000111.4
676D30Very low30.4Very low156 Ų156145.1 Ų145.183%0.83481%0.814SS**  trans71.9113.7153.3-57.6-22.5000121.4
677S28.4Very low30.1Very low113 Ų113142.1 Ų142.179%0.7982%0.816SS**  178115.2105.339.90000114.9
678L27.9Very low29.8Very low166 Ų166140 Ų14087%0.86982%0.815SS**  trans41.8122.6135.7-65.9164.3000123.1
679T30.6Very low29.1Very low141 Ų141146.3 Ų146.387%0.86582%0.817SS**  -178.297.3125.324.60000107.7
680D28.6Very low28.9Very low148 Ų148146.5 Ų146.579%0.79182%0.818SS**  67.610097.9-152.427000115.3
681D28.7Very low28.6Very low161 Ų161146.3 Ų146.386%0.86183%0.825SS**  -176115.6128.4-112.5-22.5000112.8
682G26.4Very low28.3Very low62 Ų62142.2 Ų142.264%0.63982%0.824SS**  trans80.7103131.500000124.4
683L28.8Very low28.3Very low167 Ų167139 Ų13987%0.87483%0.825SS**  trans72.2131.5138.4-53.4173.9000118
684E28.7Very low28.1Very low179 Ų179141.7 Ų141.784%0.83683%0.83SS**  cis-160.9166.320.1-113.4176.4-174.600110.7
685A27.3Very low27.8Very low95 Ų95144.9 Ų144.979%0.78583%0.831SS**  trans-31.6150.5-18000000118.8
686E28Very low27.9Very low199 Ų199149 Ų14993%0.9384%0.841SS**  -170.1157.960.3-143.2170.3-161.700112
687A27.1Very low27.7Very low96 Ų96147.2 Ų147.279%0.79384%0.841SS**  trans-100.2146.8-162.200000115.2
688S26.7Very low27.7Very low124 Ų124150.7 Ų150.787%0.86785%0.847SS**  trans-155.2129.9136.582.30000112
689R26.7Very low27.6Very low229 Ų229147.9 Ų147.986%0.86484%0.841SS**  trans-79154.5-178.8-66167.7174.9161.4-2110.5
690H28.6Very low27.5Very low191 Ų191146 Ų14688%0.88483%0.834SS**  -171.5154.1112.1-97.571.4000113.5
691A27.2Very low27.5Very low98 Ų98144.6 Ų144.681%0.8184%0.835SS**  trans-64160.2-162.300000118.2
692G25.7Very low27.6Very low83 Ų83146 Ų14686%0.85683%0.828SS**  trans-85.5176.8-178.300000116.5
693G27.4Very low27.7Very low79 Ų79150.3 Ų150.381%0.81484%0.837SS**  trans-154.3140.9179.700000111.6
694R27.3Very low27.8Very low245 Ų245152.1 Ų152.193%0.92583%0.832SS**  trans-70.3153.4-164.5-71.2169.9174.3171.1-3.3115.8
695Y25.8Very low27.9Very low231 Ų231150.1 Ų150.191%0.90683%0.826SS**  trans-54.6135.5160.9-67.9-91.9000113.1
696L29.8Very low28.1Very low167 Ų167154.6 Ų154.687%0.87483%0.828SS**  trans-137.2116.4156.5-82171.3000108.9
697S26.1Very low28.2Very low118 Ų118152.6 Ų152.683%0.82582%0.824SS**  trans-69.8133.8164.568.50000109.3
698M28.7Very low28.3Very low186 Ų186155.4 Ų155.492%0.91683%0.826SS**  trans-115.6124.5163.6-77.6-156.87700111.3
699S26Very low28.6Very low106 Ų106160.1 Ų160.174%0.74185%0.848SS**  trans-78.9141.2173.7156.50000111.2
700S28.8Very low28.7Very low103 Ų103156.7 Ų156.772%0.7285%0.847SS**  trans25.4116.8146170.90000118.7
701S27.8Very low28.7Very low117 Ų117154.8 Ų154.882%0.81885%0.846SS**  trans-126.1125.5150.662.80000111.3
702R30.1Very low28.8Very low190 Ų190158 Ų15872%0.71785%0.848SS**  trans-97.6111.5-173.7-147.6168.3101.8166.97.6106.8
703N29.9Very low28.9Very low154 Ų154162.4 Ų162.482%0.82485%0.847SS**  trans-94.8101.7175.1-90-4.3000110.6
704R30.4Very low29Very low205 Ų205167.6 Ų167.677%0.77485%0.849SS**  trans-96.8112.2159.4-84.1179.7170.2174.4-8.4107.6
705I30.7Very low29.1Very low137 Ų137162.5 Ų162.570%0.70384%0.844SS**  trans-143.8134.7164.1-66.6-174.7000107
706F31.4Very low29.4Very low189 Ų189157.6 Ų157.683%0.82984%0.84SS**  trans98.763.9-175.3-57.5-70.7000116.3
707D30.6Very low29.3Very low157 Ų157156.8 Ų156.884%0.8484%0.837SS**  trans-107.6113.7134.4-82.3-42.9000105.8
708D28.9Very low29.6Very low155 Ų155160.1 Ų160.183%0.82984%0.838SS**  trans154.8128.9146.4-82.4-21.3000111.3
709V32.2Very low29.7Very low222 Ų222157.7 Ų157.7100%1.34583%0.831SS**  trans940179.6-166.50000116.8

Retrieved 709 of 709 residues in 968.2 ms (Link to these results)

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