A0A2K6AIQ5_MANLE Loading...

LMBR1 domain containing 2

AlphaFold DB , UniProt , Accession A0A2K6AIQ5, Species MANLE (Mandrillus leucophaeus, Drill), Gene LMBRD2, Length 695 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
1M54.5Low76.9Confident159 Ų15965.7 Ų65.778%0.78342%0.415SS*.  086.10-77.8179.767.900108.8W99M1-W99 HydrophobicContact CB-CH2 4.4Å; M1-W99 HydrophobicContact CB-CZ2 3.8Å; M1-W99 HydrophobicContact CG-CH2 4.48Å; M1-W99 HydrophobicContact CG-CZ2 4.29Å; M1-W99 HydrophobicContact SD-CH2 4.13Å; M1-W99 HydrophobicContact SD-CZ2 4.03Å
2S63.7Low78.2Confident32 Ų3270.2 Ų70.222%0.22442%0.424CS..  trans-103-41.1-166.7166.90000113.7L6 Y101S2-L6 WeakPolarHBondContact O-CB 3.28Å; S2-L6 PolarHBondContact O-N 3.24Å; S2-Y101 WeakPolarHBondContact CB-O 3.07Å; S2-Y101 PolarHBondContact OG-O 3.22Å
3G66.4Low79.4Confident57 Ų5764.8 Ų64.859%0.58839%0.391SS*.Hα-helixtrans-70.5-34.9-176.300000115.6G7G3-G7 PolarHBondContact O-N 3.35Å
4A71.9Confident80.6Confident64 Ų6465.9 Ų65.953%0.52939%0.389SS..Hα-helixtrans-72.5-41-177.100000112.7G7 L8A4-G7 PolarHBondContact O-N 3.49Å; A4-L8 WeakPolarHBondContact O-CG 3.3Å; A4-L8 PolarHBondContact O-N 2.93Å
5A74.4Confident81.6Confident42 Ų4269.4 Ų69.435%0.34740%0.397SS..Hα-helixtrans-66.1-46.9176.800000111.2G7 L8 E9A5-G7 VanDerWaalsContact C-N 3.3Å; A5-G7 PolarHBondContact O-N 3.24Å; A5-L8 WeakPolarHBondContact O-CB 3.31Å; A5-L8 PolarHBondContact O-N 3.41Å; A5-L8 VanDerWaalsContact O-N 3.13Å; A5-E9 PolarHBondContact O-N 3.45Å
6L78Confident82.3Confident43 Ų4368.9 Ų68.923%0.22539%0.393CS..Hα-helixtrans-61.6-38.2174.6-177.6143.6000111.9S2 E9 I10 I51 L54 I102S2-L6 WeakPolarHBondContact O-CB 3.28Å; S2-L6 PolarHBondContact O-N 3.24Å; L6-E9 PolarHBondContact O-N 3.07Å; L6-I10 HydrophobicContact CD2-CD1 3.45Å; L6-I10 VanDerWaalsContact CD2-CD1 3.45Å; L6-I10 HydrophobicContact CD2-CG1 4.39Å; L6-I10 HydrophobicContact CG-CD1 4.26Å; L6-I10 WeakPolarHBondContact O-CB 3.47Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.43Å; L6-I10 PolarHBondContact O-N 2.96Å; L6-I51 HydrophobicContact CD1-CD1 4.1Å; L6-I51 HydrophobicContact CG-CD1 4.35Å; L6-L54 HydrophobicContact CD1-CD1 4.1Å; L6-I102 HydrophobicContact CD1-CD1 3.65Å; L6-I102 HydrophobicContact CD1-CG1 4.16Å
7G82.1Confident83Confident27 Ų2764.9 Ų64.928%0.27837%0.37SS..Hα-helixtrans-62.3-41.9172.900000113G3 A4 A5 V11G3-G7 PolarHBondContact O-N 3.35Å; A4-G7 PolarHBondContact O-N 3.49Å; A5-G7 VanDerWaalsContact C-N 3.3Å; A5-G7 PolarHBondContact O-N 3.24Å; G7-V11 WeakPolarHBondContact O-CB 3.44Å; G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.3Å; G7-V11 PolarHBondContact O-N 2.82Å
8L86.2Confident83.7Confident127 Ų12764 Ų6467%0.66536%0.363SS*.Hα-helixtrans-64.8-41.7175.8-74.2170.2000112A4 A5 V11 F12A4-L8 WeakPolarHBondContact O-CG 3.3Å; A4-L8 PolarHBondContact O-N 2.93Å; A5-L8 WeakPolarHBondContact O-CB 3.31Å; A5-L8 PolarHBondContact O-N 3.41Å; A5-L8 VanDerWaalsContact O-N 3.13Å; L8-V11 PolarHBondContact O-N 3.48Å; L8-F12 VanDerWaalsContact O-CB 3.27Å; L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.49Å
9E85.9Confident84.2Confident51 Ų5167.2 Ų67.224%0.23837%0.373CS..Hα-helixtrans-62.6-47.6176.3-72.3176.2-177.400111.9A5 L6 V11 F12 V13A5-E9 PolarHBondContact O-N 3.45Å; L6-E9 PolarHBondContact O-N 3.07Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 2.76Å; E9-F12 PolarHBondContact O-N 3.44Å; E9-V13 WeakPolarHBondContact O-CB 3.47Å; E9-V13 VanDerWaalsContact O-CG2 3.26Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.37Å
10I89.4Confident84.5Confident47 Ų4765.8 Ų65.824%0.24137%0.365CS..Hα-helixtrans-54.1-48.9174.8-76.3174000110.7L6 V13 F14 Y43 L47L6-I10 HydrophobicContact CD2-CD1 3.45Å; L6-I10 VanDerWaalsContact CD2-CD1 3.45Å; L6-I10 HydrophobicContact CD2-CG1 4.39Å; L6-I10 HydrophobicContact CG-CD1 4.26Å; L6-I10 WeakPolarHBondContact O-CB 3.47Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.43Å; L6-I10 PolarHBondContact O-N 2.96Å; I10-V13 PolarHBondContact O-N 2.98Å; I10-F14 PolarHBondContact O-N 3.04Å; I10-Y43 WeakPolarHBondContact CG2-OH 3.22Å; I10-L47 HydrophobicContact CG1-CD1 3.82Å
11V92.9Very high84.9Confident74 Ų7462.7 Ų62.745%0.44835%0.347SS..Hα-helixtrans-66.2-43.3-179.7171.60000111.2G7 L8 E9 V13 F14 F15G7-V11 WeakPolarHBondContact O-CB 3.44Å; G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.3Å; G7-V11 PolarHBondContact O-N 2.82Å; L8-V11 PolarHBondContact O-N 3.48Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 2.76Å; V11-V13 PolarHBondContact O-N 2.88Å; V11-F14 WeakPolarHBondContact O-CB 3.38Å; V11-F14 PolarHBondContact O-N 3.12Å; V11-F15 HydrophobicContact CG1-CD2 3.7Å; V11-F15 HydrophobicContact CG1-CE2 3.47Å; V11-F15 VanDerWaalsContact CG1-CE2 3.47Å; V11-F15 WeakPolarHBondContact O-CD2 3.44Å; V11-F15 PolarHBondContact O-N 3.47Å; V11-F15 VanDerWaalsContact O-N 3.07Å
12F93.1Very high86.6Confident119 Ų11959.2 Ų59.252%0.52233%0.329SS..Hα-helixtrans-59-47.5176.9172-101.1000111.7L8 E9 F14 F15 L16 F50L8-F12 VanDerWaalsContact O-CB 3.27Å; L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.49Å; E9-F12 PolarHBondContact O-N 3.44Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.74Å; F12-F15 PolarHBondContact O-N 3.3Å; F12-L16 WeakPolarHBondContact O-CB 3.4Å; F12-L16 PolarHBondContact O-N 2.91Å; F12-F50 HydrophobicContact CD1-CZ 4.5Å; F12-F50 HydrophobicContact CE1-CZ 4.29Å
13V94Very high87.8Confident0 Ų063.7 Ų63.70%034%0.341CS..Hα-helixtrans-64.2-37.1178.9175.70000111.4E9 I10 V11 L16 A17 Y43 F46 L47 F50E9-V13 WeakPolarHBondContact O-CB 3.47Å; E9-V13 VanDerWaalsContact O-CG2 3.26Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.37Å; I10-V13 PolarHBondContact O-N 2.98Å; V11-V13 PolarHBondContact O-N 2.88Å; V13-L16 PolarHBondContact O-N 2.81Å; V13-A17 WeakPolarHBondContact O-CB 3.47Å; V13-A17 PolarHBondContact O-N 3.47Å; V13-Y43 HydrophobicContact CB-CD2 4.5Å; V13-Y43 HydrophobicContact CB-CE2 4.3Å; V13-Y43 HydrophobicContact CG1-CD2 3.93Å; V13-Y43 HydrophobicContact CG1-CE2 4.13Å; V13-F46 HydrophobicContact CG1-CB 3.64Å; V13-L47 HydrophobicContact CG1-CB 4.26Å; V13-F50 HydrophobicContact CG2-CD2 3.48Å; V13-F50 VanDerWaalsContact CG2-CD2 3.48Å; V13-F50 HydrophobicContact CG2-CE2 3.45Å; V13-F50 VanDerWaalsContact CG2-CE2 3.45Å; V13-F50 HydrophobicContact CG2-CG 4.37Å; V13-F50 HydrophobicContact CG2-CZ 4.31Å
14F95.4Very high88.8Confident80 Ų8062.8 Ų62.835%0.35132%0.32SS..Hα-helixtrans-60.3-48.2174.4178.6-97000111.7I10 V11 F12 L16 A17 L18 L39 Y43I10-F14 PolarHBondContact O-N 3.04Å; V11-F14 WeakPolarHBondContact O-CB 3.38Å; V11-F14 PolarHBondContact O-N 3.12Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.74Å; F14-L16 VanDerWaalsContact C-N 3.35Å; F14-L16 PolarHBondContact O-N 2.79Å; F14-A17 PolarHBondContact O-N 3.19Å; F14-L18 HydrophobicContact CE1-CD2 4.4Å; F14-L18 WeakPolarHBondContact O-CB 3.17Å; F14-L18 PolarHBondContact O-N 3.39Å; F14-L39 HydrophobicContact CE2-CD2 3.85Å; F14-L39 HydrophobicContact CE2-CG 4.4Å; F14-L39 HydrophobicContact CZ-CD2 4.08Å; F14-Y43 HydrophobicContact CB-CD2 4Å; F14-Y43 HydrophobicContact CB-CE2 3.85Å; F14-Y43 HydrophobicContact CD2-CD2 4.31Å
15F95.7Very high89.4Confident119 Ų11959.8 Ų59.852%0.52230%0.295SS..Hα-helixtrans-67.2-34.7177.2-75.1-64.6000112.8V11 F12 L18 F19V11-F15 HydrophobicContact CG1-CD2 3.7Å; V11-F15 HydrophobicContact CG1-CE2 3.47Å; V11-F15 VanDerWaalsContact CG1-CE2 3.47Å; V11-F15 WeakPolarHBondContact O-CD2 3.44Å; V11-F15 PolarHBondContact O-N 3.47Å; V11-F15 VanDerWaalsContact O-N 3.07Å; F12-F15 PolarHBondContact O-N 3.3Å; F15-L18 HydrophobicContact CD1-CD2 4.43Å; F15-L18 PolarHBondContact O-N 3.39Å; F15-F19 VanDerWaalsContact O-CB 3.27Å; F15-F19 WeakPolarHBondContact O-CB 3.48Å; F15-F19 PolarHBondContact O-N 2.91Å
16L93.4Very high90Very high62 Ų6258.7 Ų58.733%0.32528%0.284SS..Hα-helixtrans-61.6-48.3172.7178.765.4000111.4F12 V13 F14 L18 F19 L20F12-L16 WeakPolarHBondContact O-CB 3.4Å; F12-L16 PolarHBondContact O-N 2.91Å; V13-L16 PolarHBondContact O-N 2.81Å; F14-L16 VanDerWaalsContact C-N 3.35Å; F14-L16 PolarHBondContact O-N 2.79Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.49Å; L16-F19 PolarHBondContact O-N 3.21Å; L16-L20 HydrophobicContact CD1-CD1 4.31Å; L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.29Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.12Å
17A94.3Very high90.4Very high0 Ų060.1 Ų60.10%029%0.288CS..Hα-helixtrans-62.1-42177.400000111.1V13 F14 L20 L21 L39 W42 F46V13-A17 WeakPolarHBondContact O-CB 3.47Å; V13-A17 PolarHBondContact O-N 3.47Å; F14-A17 PolarHBondContact O-N 3.19Å; A17-L20 PolarHBondContact O-N 3.07Å; A17-L21 WeakPolarHBondContact O-CB 3.15Å; A17-L21 PolarHBondContact O-N 2.89Å; A17-L39 HydrophobicContact CB-CD1 3.94Å; A17-W42 HydrophobicContact CB-CB 4.39Å; A17-F46 HydrophobicContact CB-CD2 4.09Å; A17-F46 HydrophobicContact CB-CE2 4.38Å
18L94.8Very high90.4Very high49 Ų4968.4 Ų68.426%0.25732%0.317SS..Hα-helixtrans-64.9-42.8177.3-172.466.7000112.2F14 F15 L16 L21 H22 F27 L39F14-L18 HydrophobicContact CE1-CD2 4.4Å; F14-L18 WeakPolarHBondContact O-CB 3.17Å; F14-L18 PolarHBondContact O-N 3.39Å; F15-L18 HydrophobicContact CD1-CD2 4.43Å; F15-L18 PolarHBondContact O-N 3.39Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.49Å; L18-L21 PolarHBondContact O-N 2.9Å; L18-H22 WeakPolarHBondContact O-CB 3.23Å; L18-H22 PolarHBondContact O-N 3.31Å; L18-F27 HydrophobicContact CD1-CE2 3.9Å; L18-F27 HydrophobicContact CD1-CZ 3.95Å; L18-L39 HydrophobicContact CB-CD1 4.14Å; L18-L39 HydrophobicContact CD1-CD1 4.2Å; L18-L39 HydrophobicContact CD1-CD2 4.05Å
19F93.4Very high90.1Very high124 Ų12468 Ų6854%0.54431%0.309SS..Hα-helixtrans-63.4-46.3177.1172.2-99.1000111.6F15 L16 L21 H22 R23F15-F19 VanDerWaalsContact O-CB 3.27Å; F15-F19 WeakPolarHBondContact O-CB 3.48Å; F15-F19 PolarHBondContact O-N 2.91Å; L16-F19 PolarHBondContact O-N 3.21Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-H22 PolarHBondContact O-N 2.96Å; F19-R23 PolarHBondContact O-N 3.35Å
20L90.8Very high90.1Very high40 Ų4066.7 Ų66.721%0.20930%0.303CS..Hα-helixtrans-63.4-43.3175.7-70.9173.6000110.7L16 A17 H22 R23 Y24 W42 F46L16-L20 HydrophobicContact CD1-CD1 4.31Å; L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.29Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.12Å; A17-L20 PolarHBondContact O-N 3.07Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 2.93Å; L20-R23 WeakPolarHBondContact O-CB 3.36Å; L20-R23 PolarHBondContact O-N 3.47Å; L20-Y24 VanDerWaalsContact O-CD2 3.24Å; L20-Y24 WeakPolarHBondContact O-CD2 3.35Å; L20-Y24 PolarHBondContact O-N 3.34Å; L20-Y24 VanDerWaalsContact O-N 3.13Å; L20-W42 HydrophobicContact CB-CE3 4.22Å; L20-W42 HydrophobicContact CB-CZ3 3.85Å; L20-F46 HydrophobicContact CD1-CE2 3.72Å; L20-F46 HydrophobicContact CD1-CZ 4.08Å
21L92Very high89.9Confident0 Ų068.9 Ų68.90%031%0.312CS..Hα-helixtrans-62.4-41.1178.7-175.957.2000110.9A17 L18 F19 R23 Y24 G25 F27 I35 T38 L39 W42 L474A17-L21 WeakPolarHBondContact O-CB 3.15Å; A17-L21 PolarHBondContact O-N 2.89Å; L18-L21 PolarHBondContact O-N 2.9Å; F19-L21 VanDerWaalsContact C-N 3.34Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.16Å; L21-Y24 PolarHBondContact O-N 3.11Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.03Å; L21-F27 HydrophobicContact CB-CE1 4.37Å; L21-F27 HydrophobicContact CB-CZ 4.35Å; L21-F27 HydrophobicContact CD2-CE1 4.33Å; L21-F27 HydrophobicContact CD2-CZ 4.43Å; L21-F27 HydrophobicContact CG-CE1 3.81Å; L21-F27 HydrophobicContact CG-CZ 4.14Å; L21-I35 HydrophobicContact CD2-CG2 3.75Å; L21-I35 WeakPolarHBondContact CD2-O 3.39Å; L21-T38 HydrophobicContact CD1-CG2 3.8Å; L21-L39 HydrophobicContact CD2-CB 3.58Å; L21-L39 HydrophobicContact CD2-CD1 4.01Å; L21-L39 HydrophobicContact CD2-CG 4.31Å; L21-W42 HydrophobicContact CB-CE3 4.21Å; L21-W42 HydrophobicContact CB-CZ3 4.08Å; L21-W42 HydrophobicContact CD1-CH2 4.4Å; L21-W42 HydrophobicContact CD1-CZ3 4.28Å; L21-L474 HydrophobicContact CD1-CD1 3.66Å; L21-L474 HydrophobicContact CD1-CD2 3.7Å; L21-L474 HydrophobicContact CD1-CG 4.09Å
22H91.2Very high89.7Confident86 Ų8675.1 Ų75.140%0.39833%0.328SS..Hα-helixtrans-64.5-35.4172.4-177.2-103.2000111.5L18 F19 L20 Y24 F27 H467L18-H22 WeakPolarHBondContact O-CB 3.23Å; L18-H22 PolarHBondContact O-N 3.31Å; F19-H22 PolarHBondContact O-N 2.96Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 2.93Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; H22-Y24 PolarHBondContact O-N 3.14Å; H22-F27 HydrophobicContact CB-CE1 4.11Å; H22-F27 HydrophobicContact CB-CE2 4.15Å; H22-F27 HydrophobicContact CB-CZ 3.67Å; H22-H467 AromaticContact CD2-NE2 3.91Å; H22-H467 AromaticContact CE1-CE1 3.62Å; H22-H467 AromaticContact CE1-NE2 3.45Å; H22-H467 PolarHBondContact CE1-NE2 2.98Å; H22-H467 AromaticContact ND1-NE2 3.73Å; H22-H467 AromaticContact NE2-CE1 3.44Å; H22-H467 PolarHBondContact NE2-CE1 3.5Å; H22-H467 AromaticContact NE2-NE2 3.55Å; H22-H467 PolarHBondContact O-CD2 3.25Å; H22-H467 PolarHBondContact O-NE2 3.02Å
23R89.5Confident89.4Confident126 Ų12673.5 Ų73.548%0.47532%0.324SS..Hα-helixtrans-64.1-36.8177.7-177.8178.1178.8122.72.4112.8F19 L20 L21 H466 H467F19-R23 PolarHBondContact O-N 3.35Å; L20-R23 WeakPolarHBondContact O-CB 3.36Å; L20-R23 PolarHBondContact O-N 3.47Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.16Å; R23-H466 PolarHBondContact O-N 3.03Å; R23-H467 PolarHBondContact O-N 3.49Å
24Y86.6Confident89.2Confident39 Ų3973.6 Ų73.615%0.15333%0.325CS..Hα-helixtrans-98.1-39.5-173.9-72-76.3000113.9L20 L21 H22 W42 F453 L463 H467 T469L20-Y24 VanDerWaalsContact O-CD2 3.24Å; L20-Y24 WeakPolarHBondContact O-CD2 3.35Å; L20-Y24 PolarHBondContact O-N 3.34Å; L20-Y24 VanDerWaalsContact O-N 3.13Å; L21-Y24 PolarHBondContact O-N 3.11Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; H22-Y24 PolarHBondContact O-N 3.14Å; Y24-W42 HydrophobicContact CD2-CH2 4.11Å; Y24-W42 HydrophobicContact CD2-CZ3 4.45Å; Y24-F453 HydrophobicContact CD2-CE1 4.22Å; Y24-F453 AromaticContact CE2-CD1 3.99Å; Y24-F453 HydrophobicContact CE2-CD1 3.99Å; Y24-F453 AromaticContact CE2-CE1 3.86Å; Y24-F453 HydrophobicContact CE2-CE1 3.86Å; Y24-F453 AromaticContact CZ-CD1 3.92Å; Y24-L463 HydrophobicContact CD1-CB 3.99Å; Y24-L463 HydrophobicContact CD1-CD2 3.93Å; Y24-L463 HydrophobicContact CE1-CB 4.07Å; Y24-L463 HydrophobicContact CG-CD2 3.95Å; Y24-H467 CarbonylContact O-C 3.49Å; Y24-H467 WeakPolarHBondContact O-CA 3.29Å; Y24-T469 WeakPolarHBondContact O-CB 3.5Å; Y24-T469 PolarHBondContact O-N 3.49Å; Y24-T469 VanDerWaalsContact O-N 3.08Å; Y24-T469 PolarHBondContact O-OG1 3.1Å; Y24-T469 VanDerWaalsContact O-OG1 3.14Å
25G85.4Confident89.1Confident0 Ų070.8 Ų70.80%031%0.313CS..SBendtrans-103.6148.8-176.800000113.8L21L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.03Å
26D85.5Confident88.9Confident20 Ų2070 Ų7011%0.10731%0.313CS..  trans-91.5110.2173.7-170.1-33.5000110.7K28 K29 Q30 H467D26-K28 PolarHBondContact O-N 3.41Å; D26-K28 WeakPolarHBondContact OD1-CB 3.43Å; D26-K28 PolarHBondContact OD1-N 2.8Å; D26-K29 HydrophobicContact CB-CB 4.12Å; D26-K29 HydrophobicContact CB-CG 4.44Å; D26-K29 PolarHBondContact O-N 3.4Å; D26-K29 PolarHBondContact OD1-N 3.24Å; D26-K29 WeakPolarHBondContact OD2-CD 3.49Å; D26-K29 WeakPolarHBondContact OD2-CE 3.24Å; D26-K29 VanDerWaalsContact OD2-CG 3.31Å; D26-K29 WeakPolarHBondContact OD2-CG 3.29Å; D26-K29 IonicContact OD2-NZ 3.12Å; D26-K29 PolarHBondContact OD2-NZ 2.85Å; D26-Q30 VanDerWaalsContact O-CB 3.3Å; D26-Q30 WeakPolarHBondContact O-CB 3.48Å; D26-Q30 WeakPolarHBondContact O-CG 3.22Å; D26-Q30 PolarHBondContact O-N 3.46Å; D26-H467 HydrophobicContact CB-CB 3.84Å
27F86.5Confident88.9Confident73 Ų7367.1 Ų67.132%0.3230%0.299SS..THydrogen-bonded Turntrans-69.2-21.6-176.6-70.49000113.5L18 L21 H22 I35L18-F27 HydrophobicContact CD1-CE2 3.9Å; L18-F27 HydrophobicContact CD1-CZ 3.95Å; L21-F27 HydrophobicContact CB-CE1 4.37Å; L21-F27 HydrophobicContact CB-CZ 4.35Å; L21-F27 HydrophobicContact CD2-CE1 4.33Å; L21-F27 HydrophobicContact CD2-CZ 4.43Å; L21-F27 HydrophobicContact CG-CE1 3.81Å; L21-F27 HydrophobicContact CG-CZ 4.14Å; H22-F27 HydrophobicContact CB-CE1 4.11Å; H22-F27 HydrophobicContact CB-CE2 4.15Å; H22-F27 HydrophobicContact CB-CZ 3.67Å; F27-I35 HydrophobicContact CB-CD1 4.2Å; F27-I35 HydrophobicContact CD1-CD1 4.21Å; F27-I35 HydrophobicContact CD1-CG2 4.22Å; F27-I35 HydrophobicContact CE1-CG2 4.16Å; F27-I35 HydrophobicContact CG-CD1 4.35Å; F27-I35 HydrophobicContact CZ-CG2 4.5Å
28K83.2Confident88.9Confident201 Ų20167.1 Ų67.187%0.87430%0.299SS*.THydrogen-bonded Turntrans-84.6-34-179.1-63.4-177.6179.81790111.5D26D26-K28 PolarHBondContact O-N 3.41Å; D26-K28 WeakPolarHBondContact OD1-CB 3.43Å; D26-K28 PolarHBondContact OD1-N 2.8Å
29K79.9Confident89Confident117 Ų11766 Ų6651%0.50929%0.293SS..THydrogen-bonded Turntrans-91.3-33.6-177.6-64.7-169.8-166.21080113.8D26 R321D26-K29 HydrophobicContact CB-CB 4.12Å; D26-K29 HydrophobicContact CB-CG 4.44Å; D26-K29 PolarHBondContact O-N 3.4Å; D26-K29 PolarHBondContact OD1-N 3.24Å; D26-K29 WeakPolarHBondContact OD2-CD 3.49Å; D26-K29 WeakPolarHBondContact OD2-CE 3.24Å; D26-K29 VanDerWaalsContact OD2-CG 3.31Å; D26-K29 WeakPolarHBondContact OD2-CG 3.29Å; D26-K29 IonicContact OD2-NZ 3.12Å; D26-K29 PolarHBondContact OD2-NZ 2.85Å; K29-R321 VanDerWaalsContact NZ-CZ 3.27Å; K29-R321 VanDerWaalsContact NZ-NH2 3.11Å
30Q84.3Confident89Confident24 Ų2463.5 Ų63.511%0.11229%0.285CS..SBendtrans-78.1149.8-175.4-67.7-178.7-11.900111.9D26 I35 T469 L474D26-Q30 VanDerWaalsContact O-CB 3.3Å; D26-Q30 WeakPolarHBondContact O-CB 3.48Å; D26-Q30 WeakPolarHBondContact O-CG 3.22Å; D26-Q30 PolarHBondContact O-N 3.46Å; Q30-I35 HydrophobicContact CB-CD1 4.09Å; Q30-I35 HydrophobicContact CB-CG1 3.96Å; Q30-T469 PolarHBondContact NE2-O 2.89Å; Q30-L474 VanDerWaalsContact OE1-CD2 3.23Å
31H85.7Confident89.2Confident93 Ų9361.6 Ų61.643%0.43128%0.275SS..  trans-65.8136.4175.6-170.3-89000110.4L33 V34 I35H31-L33 WeakPolarHBondContact ND1-CB 3.49Å; H31-L33 PolarHBondContact ND1-N 3.47Å; H31-L33 PolarHBondContact O-N 3.03Å; H31-L33 VanDerWaalsContact O-N 3.14Å; H31-V34 HydrophobicContact CB-CG2 4.18Å; H31-V34 WeakPolarHBondContact O-CB 3.25Å; H31-V34 PolarHBondContact O-N 3.32Å; H31-I35 PolarHBondContact O-N 3.22Å
32R88.5Confident89.4Confident206 Ų20661.6 Ų61.678%0.77728%0.275SS*.Hα-helixtrans-53.9-39.4-175.6-66.6-176.8180-178.8-0.3113.4V34 I35 I36R32-V34 VanDerWaalsContact C-N 3.28Å; R32-V34 PolarHBondContact O-N 3.03Å; R32-I35 PolarHBondContact O-N 3.21Å; R32-I36 VanDerWaalsContact O-CG1 3.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.29Å; R32-I36 PolarHBondContact O-N 3.32Å
33L87.5Confident89.6Confident84 Ų8459.4 Ų59.444%0.4426%0.264SS..Hα-helixtrans-64.8-30.6177.8-63.5178000113.4H31 G37 M129H31-L33 WeakPolarHBondContact ND1-CB 3.49Å; H31-L33 PolarHBondContact ND1-N 3.47Å; H31-L33 PolarHBondContact O-N 3.03Å; H31-L33 VanDerWaalsContact O-N 3.14Å; L33-G37 PolarHBondContact O-N 3Å; L33-M129 HydrophobicContact CB-CE 4.2Å; L33-M129 HydrophobicContact CB-SD 4.11Å; L33-M129 HydrophobicContact CD1-CE 3.7Å; L33-M129 HydrophobicContact CD1-SD 4.31Å
34V89.8Confident89.7Confident3 Ų354 Ų542%0.01824%0.244CC..Hα-helixtrans-68.5-46.7175.7172.20000109.9H31 R32 G37 T38 A471 L474 L475H31-V34 HydrophobicContact CB-CG2 4.18Å; H31-V34 WeakPolarHBondContact O-CB 3.25Å; H31-V34 PolarHBondContact O-N 3.32Å; R32-V34 VanDerWaalsContact C-N 3.28Å; R32-V34 PolarHBondContact O-N 3.03Å; V34-G37 PolarHBondContact O-N 2.79Å; V34-T38 WeakPolarHBondContact O-CB 3.38Å; V34-T38 PolarHBondContact O-N 3.36Å; V34-T38 PolarHBondContact O-OG1 2.93Å; V34-T38 VanDerWaalsContact O-OG1 3.13Å; V34-A471 HydrophobicContact CG1-CB 3.99Å; V34-A471 HydrophobicContact CG2-CB 4.37Å; V34-L474 HydrophobicContact CG1-CD2 4.11Å; V34-L475 HydrophobicContact CB-CD2 4.41Å; V34-L475 HydrophobicContact CG1-CD1 4.24Å; V34-L475 HydrophobicContact CG1-CD2 3.98Å; V34-L475 HydrophobicContact CG1-CG 3.86Å; V34-L475 HydrophobicContact CG2-CD1 4.06Å; V34-L475 HydrophobicContact CG2-CD2 4.46Å; V34-L475 HydrophobicContact CG2-CG 4.5Å
35I92.2Very high90Very high21 Ų2152.1 Ų52.111%0.10824%0.237CC..Hα-helixtrans-61-49.3177.8-58.3167.6000110.1L21 F27 Q30 H31 R32 L39L21-I35 HydrophobicContact CD2-CG2 3.75Å; L21-I35 WeakPolarHBondContact CD2-O 3.39Å; F27-I35 HydrophobicContact CB-CD1 4.2Å; F27-I35 HydrophobicContact CD1-CD1 4.21Å; F27-I35 HydrophobicContact CD1-CG2 4.22Å; F27-I35 HydrophobicContact CE1-CG2 4.16Å; F27-I35 HydrophobicContact CG-CD1 4.35Å; F27-I35 HydrophobicContact CZ-CG2 4.5Å; Q30-I35 HydrophobicContact CB-CD1 4.09Å; Q30-I35 HydrophobicContact CB-CG1 3.96Å; H31-I35 PolarHBondContact O-N 3.22Å; R32-I35 PolarHBondContact O-N 3.21Å; I35-L39 WeakPolarHBondContact O-CB 3.37Å; I35-L39 PolarHBondContact O-N 3.08Å
36I93.2Very high90.4Very high101 Ų10153 Ų5352%0.51824%0.24SC..Hα-helixtrans-64.1-45.3-179.5-66.4165.5000111.1R32 L39 L40R32-I36 VanDerWaalsContact O-CG1 3.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.29Å; R32-I36 PolarHBondContact O-N 3.32Å; I36-L39 PolarHBondContact O-N 3.25Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 PolarHBondContact O-N 2.77Å
37G93.4Very high90.8Very high3 Ų352.2 Ų52.23%0.03124%0.236CC..Hα-helixtrans-62-45.4179.600000112.4L33 V34 A41L33-G37 PolarHBondContact O-N 3Å; V34-G37 PolarHBondContact O-N 2.79Å; G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.05Å; G37-A41 VanDerWaalsContact O-N 3.09Å
38T93.9Very high91Very high0 Ų049 Ų490%022%0.223CC..Hα-helixtrans-68-43.5175.7-59.40000111.8L21 V34 L40 A41 W42 L474L21-T38 HydrophobicContact CD1-CG2 3.8Å; V34-T38 WeakPolarHBondContact O-CB 3.38Å; V34-T38 PolarHBondContact O-N 3.36Å; V34-T38 PolarHBondContact O-OG1 2.93Å; V34-T38 VanDerWaalsContact O-OG1 3.13Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.96Å; T38-A41 PolarHBondContact O-N 3.06Å; T38-W42 HydrophobicContact CG2-CD2 3.89Å; T38-W42 VanDerWaalsContact CG2-CE2 3.45Å; T38-W42 HydrophobicContact CG2-CG 4.08Å; T38-W42 HydrophobicContact CG2-CZ2 3.91Å; T38-W42 VanDerWaalsContact CG2-NE1 3.33Å; T38-W42 WeakPolarHBondContact O-CB 3.44Å; T38-W42 PolarHBondContact O-N 3.14Å; T38-L474 HydrophobicContact CG2-CD1 3.79Å; T38-L474 HydrophobicContact CG2-CD2 4.25Å; T38-L474 HydrophobicContact CG2-CG 3.62Å; T38-L474 PolarHBondContact OG1-O 3.1Å
39L95.6Very high91.4Very high24 Ų2439.9 Ų39.913%0.12618%0.184CC..Hα-helixtrans-57-47.7178.5-177.161.5000110.7F14 A17 L18 L21 I35 I36 A41 W42 Y43F14-L39 HydrophobicContact CE2-CD2 3.85Å; F14-L39 HydrophobicContact CE2-CG 4.4Å; F14-L39 HydrophobicContact CZ-CD2 4.08Å; A17-L39 HydrophobicContact CB-CD1 3.94Å; L18-L39 HydrophobicContact CB-CD1 4.14Å; L18-L39 HydrophobicContact CD1-CD1 4.2Å; L18-L39 HydrophobicContact CD1-CD2 4.05Å; L21-L39 HydrophobicContact CD2-CB 3.58Å; L21-L39 HydrophobicContact CD2-CD1 4.01Å; L21-L39 HydrophobicContact CD2-CG 4.31Å; I35-L39 WeakPolarHBondContact O-CB 3.37Å; I35-L39 PolarHBondContact O-N 3.08Å; I36-L39 PolarHBondContact O-N 3.25Å; L39-A41 PolarHBondContact O-N 3.13Å; L39-W42 PolarHBondContact O-N 3.45Å; L39-Y43 WeakPolarHBondContact O-CB 3.43Å; L39-Y43 PolarHBondContact O-N 2.85Å
40L95.1Very high92Very high73 Ų7336 Ų3638%0.38217%0.167SC..Hα-helixtrans-62.2-44.3179.1-175.162.2000111.2I36 T38 L44 L121I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 PolarHBondContact O-N 2.77Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.96Å; L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CG 4.31Å; L40-L44 HydrophobicContact CG-CD1 4.15Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 3.2Å; L40-L121 HydrophobicContact CB-CD1 4.47Å; L40-L121 HydrophobicContact CD2-CD1 4.03Å; L40-L121 HydrophobicContact CD2-CD2 4.29Å; L40-L121 HydrophobicContact CG-CD1 3.96Å
41A95.1Very high92.3Very high0 Ų035.1 Ų35.10%016%0.163CC..Hα-helixtrans-60.4-50176.900000112.2G37 T38 L39 L44 C45 L121 L126 C482G37-A41 WeakPolarHBondContact O-CB 3.39Å; G37-A41 PolarHBondContact O-N 3.05Å; G37-A41 VanDerWaalsContact O-N 3.09Å; T38-A41 PolarHBondContact O-N 3.06Å; L39-A41 PolarHBondContact O-N 3.13Å; A41-L44 PolarHBondContact O-N 3Å; A41-C45 PolarHBondContact O-N 3.26Å; A41-C45 PolarHBondContact O-SG 3.25Å; A41-L121 HydrophobicContact CB-CD1 4.36Å; A41-L126 HydrophobicContact CB-CD1 4.12Å; A41-C482 VanDerWaalsContact CB-SG 3.56Å
42W95.1Very high92.5Very high0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-64.9-43.4-179.5-70.914.4000111.5A17 L20 L21 Y24 T38 L39 C45 F46 F453 L463 L474 S477 F481A17-W42 HydrophobicContact CB-CB 4.39Å; L20-W42 HydrophobicContact CB-CE3 4.22Å; L20-W42 HydrophobicContact CB-CZ3 3.85Å; L21-W42 HydrophobicContact CB-CE3 4.21Å; L21-W42 HydrophobicContact CB-CZ3 4.08Å; L21-W42 HydrophobicContact CD1-CH2 4.4Å; L21-W42 HydrophobicContact CD1-CZ3 4.28Å; Y24-W42 HydrophobicContact CD2-CH2 4.11Å; Y24-W42 HydrophobicContact CD2-CZ3 4.45Å; T38-W42 HydrophobicContact CG2-CD2 3.89Å; T38-W42 VanDerWaalsContact CG2-CE2 3.45Å; T38-W42 HydrophobicContact CG2-CG 4.08Å; T38-W42 HydrophobicContact CG2-CZ2 3.91Å; T38-W42 VanDerWaalsContact CG2-NE1 3.33Å; T38-W42 WeakPolarHBondContact O-CB 3.44Å; T38-W42 PolarHBondContact O-N 3.14Å; L39-W42 PolarHBondContact O-N 3.45Å; W42-C45 PolarHBondContact O-N 2.85Å; W42-F46 HydrophobicContact CB-CD2 4.47Å; W42-F46 HydrophobicContact CB-CE2 4Å; W42-F46 HydrophobicContact CB-CZ 4.33Å; W42-F46 WeakPolarHBondContact O-CB 3.47Å; W42-F46 WeakPolarHBondContact O-CD2 3.5Å; W42-F46 WeakPolarHBondContact O-CG 3.36Å; W42-F46 PolarHBondContact O-N 3.03Å; W42-F453 AromaticContact CH2-CE1 3.94Å; W42-F453 HydrophobicContact CH2-CE1 3.94Å; W42-F453 HydrophobicContact CH2-CZ 4.34Å; W42-F453 HydrophobicContact CZ2-CE1 4.13Å; W42-F453 HydrophobicContact CZ2-CZ 4.45Å; W42-L463 HydrophobicContact CH2-CD2 4.37Å; W42-L463 HydrophobicContact CZ2-CD2 4.31Å; W42-L474 HydrophobicContact CH2-CD1 3.94Å; W42-L474 HydrophobicContact CZ2-CD1 3.75Å; W42-S477 WeakPolarHBondContact CZ2-OG 3.27Å; W42-S477 PolarHBondContact NE1-OG 3.22Å; W42-S477 VanDerWaalsContact NE1-OG 3.14Å; W42-F481 AromaticContact CD1-CD2 3.44Å; W42-F481 VanDerWaalsContact CD1-CD2 3.44Å; W42-F481 AromaticContact CD1-CE2 3.85Å; W42-F481 HydrophobicContact CD2-CE2 4.41Å; W42-F481 AromaticContact CE2-CE2 3.91Å; W42-F481 HydrophobicContact CG-CD2 4.19Å; W42-F481 HydrophobicContact CG-CE2 4.36Å; W42-F481 HydrophobicContact CZ2-CE2 4.46Å; W42-F481 AromaticContact NE1-CD2 3.46Å; W42-F481 AromaticContact NE1-CE2 3.51Å
43Y95.2Very high92.7Very high39 Ų3921 Ų2115%0.15311%0.106CC..Hα-helixtrans-58.2-50.7177.7171.1-110.9000112I10 V13 F14 L39 C45 F46 L47I10-Y43 WeakPolarHBondContact CG2-OH 3.22Å; V13-Y43 HydrophobicContact CB-CD2 4.5Å; V13-Y43 HydrophobicContact CB-CE2 4.3Å; V13-Y43 HydrophobicContact CG1-CD2 3.93Å; V13-Y43 HydrophobicContact CG1-CE2 4.13Å; F14-Y43 HydrophobicContact CB-CD2 4Å; F14-Y43 HydrophobicContact CB-CE2 3.85Å; F14-Y43 HydrophobicContact CD2-CD2 4.31Å; L39-Y43 WeakPolarHBondContact O-CB 3.43Å; L39-Y43 PolarHBondContact O-N 2.85Å; Y43-C45 VanDerWaalsContact C-N 3.27Å; Y43-C45 PolarHBondContact O-N 3.11Å; Y43-F46 PolarHBondContact O-N 3.17Å; Y43-L47 HydrophobicContact CE1-CD2 4.26Å; Y43-L47 VanDerWaalsContact O-CB 3.23Å; Y43-L47 WeakPolarHBondContact O-CB 3.35Å; Y43-L47 PolarHBondContact O-N 3.03Å
44L93Very high92.7Very high12 Ų1217.2 Ų17.26%0.0639%0.086CC..Hα-helixtrans-59.5-38.9178.7-70.8172.3000112L40 A41 I48 V114 T117 L121L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CG 4.31Å; L40-L44 HydrophobicContact CG-CD1 4.15Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.5Å; L40-L44 PolarHBondContact O-N 3.2Å; A41-L44 PolarHBondContact O-N 3Å; L44-I48 WeakPolarHBondContact O-CD1 3.39Å; L44-I48 WeakPolarHBondContact O-CG1 3.31Å; L44-V114 HydrophobicContact CD2-CG2 4.18Å; L44-T117 WeakPolarHBondContact CD1-OG1 3.34Å; L44-L121 HydrophobicContact CD1-CD1 3.84Å
45C92.7Very high92.7Very high1 Ų117.3 Ų17.31%0.0079%0.086CC..Hα-helixtrans-72.3-43.6-179.4-61.20000112.4A41 W42 Y43 L47 I48 F481 C482 T485A41-C45 PolarHBondContact O-N 3.26Å; A41-C45 PolarHBondContact O-SG 3.25Å; W42-C45 PolarHBondContact O-N 2.85Å; Y43-C45 VanDerWaalsContact C-N 3.27Å; Y43-C45 PolarHBondContact O-N 3.11Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 PolarHBondContact O-N 3.16Å; C45-I48 PolarHBondContact O-N 3.09Å; C45-F481 HydrophobicContact CB-CB 4.02Å; C45-F481 VanDerWaalsContact SG-CB 3.52Å; C45-F481 PolarHBondContact SG-O 3.35Å; C45-F481 VanDerWaalsContact SG-O 3.4Å; C45-C482 PolarHBondContact SG-N 2.88Å; C45-T485 WeakPolarHBondContact CB-OG1 3.27Å; C45-T485 PolarHBondContact SG-OG1 2.83Å
46F93.4Very high92.6Very high17 Ų1716.3 Ų16.38%0.0758%0.081CC..Hα-helixtrans-70.3-30.4179-61.1-20.6000112.7V13 A17 L20 W42 Y43 I48 V49 Y449 F453V13-F46 HydrophobicContact CG1-CB 3.64Å; A17-F46 HydrophobicContact CB-CD2 4.09Å; A17-F46 HydrophobicContact CB-CE2 4.38Å; L20-F46 HydrophobicContact CD1-CE2 3.72Å; L20-F46 HydrophobicContact CD1-CZ 4.08Å; W42-F46 HydrophobicContact CB-CD2 4.47Å; W42-F46 HydrophobicContact CB-CE2 4Å; W42-F46 HydrophobicContact CB-CZ 4.33Å; W42-F46 WeakPolarHBondContact O-CB 3.47Å; W42-F46 WeakPolarHBondContact O-CD2 3.5Å; W42-F46 WeakPolarHBondContact O-CG 3.36Å; W42-F46 PolarHBondContact O-N 3.03Å; Y43-F46 PolarHBondContact O-N 3.17Å; F46-I48 PolarHBondContact O-N 3.25Å; F46-V49 PolarHBondContact O-N 3.05Å; F46-Y449 HydrophobicContact CD1-CD2 4.16Å; F46-Y449 HydrophobicContact CD1-CE2 4.03Å; F46-Y449 AromaticContact CE1-CD2 3.98Å; F46-Y449 HydrophobicContact CE1-CD2 3.98Å; F46-Y449 HydrophobicContact CE1-CE2 4.24Å; F46-F453 HydrophobicContact CZ-CZ 4.46Å
47L92.9Very high92.4Very high4 Ų411.5 Ų11.52%0.0216%0.057CC..Hα-helixtrans-61.9-32179.3-176.961.3000112.2I10 V13 Y43 C45 V49 F50 I51 F110I10-L47 HydrophobicContact CG1-CD1 3.82Å; V13-L47 HydrophobicContact CG1-CB 4.26Å; Y43-L47 HydrophobicContact CE1-CD2 4.26Å; Y43-L47 VanDerWaalsContact O-CB 3.23Å; Y43-L47 WeakPolarHBondContact O-CB 3.35Å; Y43-L47 PolarHBondContact O-N 3.03Å; C45-L47 VanDerWaalsContact C-N 3.32Å; C45-L47 PolarHBondContact O-N 3.16Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 3.45Å; L47-F50 PolarHBondContact O-N 3.43Å; L47-F50 VanDerWaalsContact O-N 3.12Å; L47-I51 HydrophobicContact CD1-CD1 4.4Å; L47-I51 HydrophobicContact CD1-CG1 4.01Å; L47-I51 HydrophobicContact CG-CG1 3.92Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.45Å; L47-I51 VanDerWaalsContact O-N 3.11Å; L47-F110 HydrophobicContact CD2-CE2 3.83Å; L47-F110 HydrophobicContact CD2-CZ 3.56Å; L47-F110 HydrophobicContact CG-CZ 4.1Å
48I90.9Very high92.1Very high6 Ų611.8 Ų11.83%0.0316%0.058CC..Hα-helixtrans-66.6-28.9-175.5-74.5171.7000113L44 C45 F46 F50 I51 L52 W111 V114 T485 C489L44-I48 WeakPolarHBondContact O-CD1 3.39Å; L44-I48 WeakPolarHBondContact O-CG1 3.31Å; C45-I48 PolarHBondContact O-N 3.09Å; F46-I48 PolarHBondContact O-N 3.25Å; I48-F50 PolarHBondContact O-N 2.99Å; I48-I51 PolarHBondContact O-N 3.18Å; I48-L52 VanDerWaalsContact O-CB 3.23Å; I48-L52 WeakPolarHBondContact O-CB 3.37Å; I48-L52 PolarHBondContact O-N 2.95Å; I48-W111 HydrophobicContact CD1-CZ3 4.02Å; I48-W111 HydrophobicContact CG1-CH2 4.05Å; I48-W111 HydrophobicContact CG1-CZ3 3.74Å; I48-W111 HydrophobicContact CG2-CH2 4.2Å; I48-W111 HydrophobicContact CG2-CZ3 4.49Å; I48-V114 HydrophobicContact CD1-CG1 3.8Å; I48-V114 HydrophobicContact CG1-CG1 4.41Å; I48-T485 HydrophobicContact CB-CG2 4.23Å; I48-T485 HydrophobicContact CD1-CG2 3.11Å; I48-T485 HydrophobicContact CG1-CG2 4.22Å; I48-T485 HydrophobicContact CG2-CG2 4.09Å; I48-C489 WeakPolarHBondContact CG2-SG 3.14Å
49V92.9Very high91.8Very high9 Ų912.1 Ų12.16%0.0556%0.06CC..Hα-helixtrans-58.9-32.4175.3-1780000111.6F46 L47 P53 F438 I441 F442 S445F46-V49 PolarHBondContact O-N 3.05Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 3.45Å; V49-P53 VanDerWaalsContact O-CD 3.25Å; V49-P53 WeakPolarHBondContact O-CD 3.5Å; V49-P53 WeakPolarHBondContact O-CG 3.37Å; V49-F438 HydrophobicContact CG1-CD2 4.42Å; V49-F438 HydrophobicContact CG1-CE2 4.1Å; V49-I441 HydrophobicContact CG1-CG2 4.12Å; V49-I441 WeakPolarHBondContact O-CG2 3.48Å; V49-F442 HydrophobicContact CG1-CB 4.02Å; V49-F442 HydrophobicContact CG1-CD2 3.99Å; V49-S445 WeakPolarHBondContact CG2-OG 3.41Å
50F90.9Very high91.3Very high37 Ų3711 Ų1116%0.1625%0.054CC..Hα-helixtrans-92.5-40.9-179.6-62-88.3000112.1F12 V13 L47 I48 P53 L54 F438F12-F50 HydrophobicContact CD1-CZ 4.5Å; F12-F50 HydrophobicContact CE1-CZ 4.29Å; V13-F50 HydrophobicContact CG2-CD2 3.48Å; V13-F50 VanDerWaalsContact CG2-CD2 3.48Å; V13-F50 HydrophobicContact CG2-CE2 3.45Å; V13-F50 VanDerWaalsContact CG2-CE2 3.45Å; V13-F50 HydrophobicContact CG2-CG 4.37Å; V13-F50 HydrophobicContact CG2-CZ 4.31Å; L47-F50 PolarHBondContact O-N 3.43Å; L47-F50 VanDerWaalsContact O-N 3.12Å; I48-F50 PolarHBondContact O-N 2.99Å; F50-P53 WeakPolarHBondContact O-CD 3.41Å; F50-L54 WeakPolarHBondContact O-CG 3.34Å; F50-F438 HydrophobicContact CD1-CD2 4.33Å; F50-F438 AromaticContact CD1-CE2 3.76Å; F50-F438 HydrophobicContact CD1-CE2 3.76Å; F50-F438 HydrophobicContact CE1-CD2 4.47Å; F50-F438 AromaticContact CE1-CE2 3.5Å; F50-F438 HydrophobicContact CE1-CE2 3.5Å; F50-F438 HydrophobicContact CE1-CZ 4.03Å; F50-F438 HydrophobicContact CZ-CE2 4.07Å; F50-F438 HydrophobicContact CZ-CZ 4.49Å
51I90.9Very high90.9Very high4 Ų49 Ų92%0.0214%0.042CC..Hα-helixtrans-76.2-32.4-175.1-58.5-60000113.2L6 L47 I48 L54 D55 M107 F110 W111L6-I51 HydrophobicContact CD1-CD1 4.1Å; L6-I51 HydrophobicContact CG-CD1 4.35Å; L47-I51 HydrophobicContact CD1-CD1 4.4Å; L47-I51 HydrophobicContact CD1-CG1 4.01Å; L47-I51 HydrophobicContact CG-CG1 3.92Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.45Å; L47-I51 VanDerWaalsContact O-N 3.11Å; I48-I51 PolarHBondContact O-N 3.18Å; I51-L54 HydrophobicContact CD1-CD1 4.25Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 2.88Å; I51-L54 VanDerWaalsContact O-N 3.13Å; I51-D55 PolarHBondContact O-N 3.09Å; I51-M107 HydrophobicContact CG2-CE 4.07Å; I51-M107 HydrophobicContact CG2-SD 3.8Å; I51-F110 HydrophobicContact CB-CE1 4.11Å; I51-F110 HydrophobicContact CB-CZ 4.41Å; I51-F110 HydrophobicContact CG1-CE1 4.07Å; I51-F110 HydrophobicContact CG1-CZ 3.87Å; I51-F110 HydrophobicContact CG2-CD1 3.99Å; I51-F110 HydrophobicContact CG2-CE1 3.58Å; I51-F110 HydrophobicContact CG2-CZ 4.22Å; I51-W111 HydrophobicContact CG2-CH2 4.38Å; I51-W111 HydrophobicContact CG2-CZ2 3.94Å
52L90.6Very high90.5Very high0 Ų09.9 Ų9.90%05%0.047CC..Hα-helixtrans-64.5-42.6-177.7-170.166000113.5I48 L54 D55 V56 W111 I441 C489 F492 L493 Y512I48-L52 VanDerWaalsContact O-CB 3.23Å; I48-L52 WeakPolarHBondContact O-CB 3.37Å; I48-L52 PolarHBondContact O-N 2.95Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.1Å; L52-D55 PolarHBondContact O-N 3.1Å; L52-V56 WeakPolarHBondContact O-CG2 3.31Å; L52-V56 PolarHBondContact O-N 2.89Å; L52-W111 HydrophobicContact CB-CH2 4.42Å; L52-W111 HydrophobicContact CB-CZ2 4.49Å; L52-W111 HydrophobicContact CD1-CH2 4.23Å; L52-W111 HydrophobicContact CD1-CZ2 3.98Å; L52-I441 HydrophobicContact CD2-CD1 4.2Å; L52-I441 HydrophobicContact CD2-CG1 4.31Å; L52-C489 HydrophobicContact CD2-CB 3.74Å; L52-F492 HydrophobicContact CD2-CD1 3.42Å; L52-F492 VanDerWaalsContact CD2-CD1 3.42Å; L52-F492 HydrophobicContact CD2-CE1 3.88Å; L52-F492 HydrophobicContact CD2-CG 4.35Å; L52-F492 HydrophobicContact CG-CD1 4.1Å; L52-F492 HydrophobicContact CG-CE1 4.07Å; L52-L493 HydrophobicContact CD1-CD1 4.32Å; L52-L493 HydrophobicContact CD1-CD2 4.41Å; L52-Y512 HydrophobicContact CD1-CD2 4.48Å; L52-Y512 HydrophobicContact CD1-CG 4.14Å
53P91.5Very high90Very high2 Ų211.5 Ų11.51%0.0135%0.052CC..Hα-helixtrans-54.2-38.5168.8-28.635.3000114.1V49 F50 V56 S57 E434 C437 F438 I441V49-P53 VanDerWaalsContact O-CD 3.25Å; V49-P53 WeakPolarHBondContact O-CD 3.5Å; V49-P53 WeakPolarHBondContact O-CG 3.37Å; F50-P53 WeakPolarHBondContact O-CD 3.41Å; P53-V56 PolarHBondContact O-N 3.31Å; P53-S57 PolarHBondContact O-N 2.94Å; P53-E434 HydrophobicContact CB-CG 4.23Å; P53-C437 HydrophobicContact CB-CB 3.84Å; P53-C437 HydrophobicContact CG-CB 4.13Å; P53-F438 HydrophobicContact CG-CB 4.07Å; P53-I441 HydrophobicContact CG-CG2 4.04Å
54L89.3Confident89.5Confident6 Ų610 Ų103%0.0315%0.048CC..Hα-helixtrans-68.3-36.7177.7-56.1-175.5000112.5L6 F50 I51 L52 S57 T58 I102 M107 E434L6-L54 HydrophobicContact CD1-CD1 4.1Å; F50-L54 WeakPolarHBondContact O-CG 3.34Å; I51-L54 HydrophobicContact CD1-CD1 4.25Å; I51-L54 WeakPolarHBondContact O-CB 3.36Å; I51-L54 PolarHBondContact O-N 2.88Å; I51-L54 VanDerWaalsContact O-N 3.13Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.1Å; L54-S57 PolarHBondContact O-OG 2.95Å; L54-S57 VanDerWaalsContact O-OG 3.13Å; L54-T58 VanDerWaalsContact O-CB 3.24Å; L54-T58 WeakPolarHBondContact O-CB 3.24Å; L54-T58 PolarHBondContact O-N 3.42Å; L54-T58 PolarHBondContact O-OG1 2.91Å; L54-I102 HydrophobicContact CB-CD1 4.02Å; L54-I102 HydrophobicContact CD1-CD1 4.12Å; L54-M107 HydrophobicContact CB-CE 4.44Å; L54-E434 VanDerWaalsContact CD2-CD 3.48Å; L54-E434 HydrophobicContact CD2-CG 4.12Å; L54-E434 WeakPolarHBondContact CD2-OE1 3.23Å
55D89.9Confident89.2Confident4 Ų414.7 Ų14.72%0.0217%0.068CC..Hα-helixtrans-65.3-42.4174-1687.8000110.9I51 L52 T59 M107 W111 A511 Y512I51-D55 PolarHBondContact O-N 3.09Å; L52-D55 PolarHBondContact O-N 3.1Å; D55-T59 VanDerWaalsContact O-CB 3.25Å; D55-T59 WeakPolarHBondContact O-CB 3.44Å; D55-T59 PolarHBondContact O-N 2.7Å; D55-T59 PolarHBondContact O-OG1 3.19Å; D55-T59 PolarHBondContact OD1-OG1 2.89Å; D55-M107 HydrophobicContact CB-CE 3.99Å; D55-M107 HydrophobicContact CB-CG 4.33Å; D55-M107 HydrophobicContact CB-SD 4.22Å; D55-W111 PolarHBondContact OD2-NE1 3.38Å; D55-A511 WeakPolarHBondContact OD1-CB 3.27Å; D55-A511 PolarHBondContact OD1-N 3.27Å; D55-A511 VanDerWaalsContact OD1-N 3.14Å; D55-A511 PolarHBondContact OD2-N 3.4Å; D55-Y512 WeakPolarHBondContact OD2-CB 3.42Å; D55-Y512 PolarHBondContact OD2-N 3.42Å
56V88.8Confident88.7Confident0 Ų019.3 Ų19.30%09%0.089CC..Hα-helixtrans-62.3-49.9176.2172.40000111.4L52 P53 T58 T59 I60 I433 F492 L493 M498 T510L52-V56 WeakPolarHBondContact O-CG2 3.31Å; L52-V56 PolarHBondContact O-N 2.89Å; P53-V56 PolarHBondContact O-N 3.31Å; V56-T58 PolarHBondContact O-N 3.35Å; V56-T59 PolarHBondContact O-N 3.03Å; V56-I60 HydrophobicContact CG1-CD1 3.88Å; V56-I60 WeakPolarHBondContact O-CG1 3.46Å; V56-I60 PolarHBondContact O-N 2.79Å; V56-I433 HydrophobicContact CG1-CG2 4.24Å; V56-F492 HydrophobicContact CG2-CE1 4.2Å; V56-L493 HydrophobicContact CG2-CD2 3.8Å; V56-M498 HydrophobicContact CG1-CE 4.1Å; V56-M498 HydrophobicContact CG1-CG 4Å; V56-M498 HydrophobicContact CG1-SD 4.28Å; V56-M498 HydrophobicContact CG2-CG 4.48Å; V56-T510 HydrophobicContact CG2-CG2 4.41Å
57S88.8Confident88Confident0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-63.5-41.2-179.472.10000112.1P53 L54 I60 Y61P53-S57 PolarHBondContact O-N 2.94Å; L54-S57 PolarHBondContact O-OG 2.95Å; L54-S57 VanDerWaalsContact O-OG 3.13Å; S57-I60 PolarHBondContact O-N 2.86Å; S57-Y61 PolarHBondContact O-N 3.09Å
58T87.9Confident87.4Confident9 Ų923.3 Ų23.36%0.05513%0.126CC..Hα-helixtrans-64.9-40.6175.8-58.30000111.4L54 V56 Y61 N62 Y101L54-T58 VanDerWaalsContact O-CB 3.24Å; L54-T58 WeakPolarHBondContact O-CB 3.24Å; L54-T58 PolarHBondContact O-N 3.42Å; L54-T58 PolarHBondContact O-OG1 2.91Å; V56-T58 PolarHBondContact O-N 3.35Å; T58-Y61 PolarHBondContact O-N 3.44Å; T58-N62 WeakPolarHBondContact O-CB 3.37Å; T58-N62 PolarHBondContact O-N 2.85Å; T58-Y101 HydrophobicContact CG2-CD2 4.06Å; T58-Y101 HydrophobicContact CG2-CE2 3.96Å
59T87.6Confident86.8Confident7 Ų725.8 Ų25.84%0.04315%0.147CC..Hα-helixtrans-63.7-43.9177.1-60.70000111.4D55 V56 N62 R63 M498 T510D55-T59 VanDerWaalsContact O-CB 3.25Å; D55-T59 WeakPolarHBondContact O-CB 3.44Å; D55-T59 PolarHBondContact O-N 2.7Å; D55-T59 PolarHBondContact O-OG1 3.19Å; D55-T59 PolarHBondContact OD1-OG1 2.89Å; V56-T59 PolarHBondContact O-N 3.03Å; T59-N62 PolarHBondContact O-N 3.42Å; T59-R63 WeakPolarHBondContact O-CG 3.33Å; T59-R63 PolarHBondContact O-N 2.88Å; T59-M498 HydrophobicContact CG2-CE 3.8Å; T59-T510 HydrophobicContact CG2-CG2 4.17Å; T59-T510 WeakPolarHBondContact OG1-CA 3.5Å
60I85.9Confident85.9Confident1 Ų132 Ų321%0.00518%0.18CC..Hα-helixtrans-64.8-40.8177.5-67.5168.1000110.9V56 S57 R63 C64 I421 E425 Y430 I433 M498V56-I60 HydrophobicContact CG1-CD1 3.88Å; V56-I60 WeakPolarHBondContact O-CG1 3.46Å; V56-I60 PolarHBondContact O-N 2.79Å; S57-I60 PolarHBondContact O-N 2.86Å; I60-R63 PolarHBondContact O-N 3.13Å; I60-C64 PolarHBondContact O-N 2.93Å; I60-I421 HydrophobicContact CD1-CG2 3.99Å; I60-E425 HydrophobicContact CG2-CG 3.97Å; I60-Y430 HydrophobicContact CG2-CE1 4.35Å; I60-I433 HydrophobicContact CD1-CD1 4.03Å; I60-I433 HydrophobicContact CD1-CG2 3.92Å; I60-I433 HydrophobicContact CG2-CD1 4.31Å; I60-M498 HydrophobicContact CD1-CE 4.33Å; I60-M498 HydrophobicContact CD1-SD 4.07Å; I60-M498 HydrophobicContact CG1-CE 3.84Å; I60-M498 HydrophobicContact CG1-SD 4.02Å
61Y86.6Confident84.7Confident32 Ų3233.6 Ų33.613%0.12520%0.196CC..Hα-helixtrans-60.6-44.6173.2171.3-102.7000112.3S57 T58 R63 C64 K65 C95 F96 K97 P98 Y101S57-Y61 PolarHBondContact O-N 3.09Å; T58-Y61 PolarHBondContact O-N 3.44Å; Y61-R63 PolarHBondContact O-N 2.95Å; Y61-C64 WeakPolarHBondContact O-CB 3.35Å; Y61-C64 PolarHBondContact O-N 3.41Å; Y61-K65 PolarHBondContact O-N 3.03Å; Y61-C95 HydrophobicContact CE2-CB 4.24Å; Y61-F96 VanDerWaalsContact CD2-O 3.3Å; Y61-F96 WeakPolarHBondContact CD2-O 3.42Å; Y61-F96 WeakPolarHBondContact CE2-O 3.35Å; Y61-K97 HydrophobicContact CE2-CB 4.24Å; Y61-P98 VanDerWaalsContact CD2-CD 3.49Å; Y61-P98 HydrophobicContact CG-CG 4.19Å; Y61-Y101 AromaticContact CD1-CD2 3.55Å; Y61-Y101 HydrophobicContact CD1-CD2 3.55Å; Y61-Y101 AromaticContact CD1-CE2 3.48Å; Y61-Y101 HydrophobicContact CD1-CE2 3.48Å; Y61-Y101 VanDerWaalsContact CD1-CE2 3.48Å; Y61-Y101 AromaticContact CE1-CD2 3.74Å; Y61-Y101 HydrophobicContact CE1-CD2 3.74Å; Y61-Y101 AromaticContact CE1-CE2 3.51Å; Y61-Y101 HydrophobicContact CE1-CE2 3.51Å; Y61-Y101 HydrophobicContact CG-CD2 4.45Å
62N85.6Confident83Confident18 Ų1836.3 Ų36.310%0.09622%0.215CC..Hα-helixtrans-64.2-39.7177.2-75.6-10.7000111.8T58 T59 C64 K65 H66 D104T58-N62 WeakPolarHBondContact O-CB 3.37Å; T58-N62 PolarHBondContact O-N 2.85Å; T59-N62 PolarHBondContact O-N 3.42Å; N62-C64 VanDerWaalsContact C-N 3.35Å; N62-C64 PolarHBondContact O-N 3.44Å; N62-K65 PolarHBondContact O-N 3.27Å; N62-H66 PolarHBondContact O-CD2 2.85Å; N62-H66 PolarHBondContact O-N 3.06Å; N62-D104 PolarHBondContact ND2-OD1 3.03Å
63R85.3Confident81.2Confident33 Ų3341.3 Ų41.313%0.12525%0.247CC..Hα-helixtrans-58.6-44171.8-71.9174.3-175.5178.32.3112T59 I60 Y61 H66 A67 M498 Q508T59-R63 WeakPolarHBondContact O-CG 3.33Å; T59-R63 PolarHBondContact O-N 2.88Å; I60-R63 PolarHBondContact O-N 3.13Å; Y61-R63 PolarHBondContact O-N 2.95Å; R63-H66 PolarHBondContact O-N 2.95Å; R63-A67 WeakPolarHBondContact O-CB 3.37Å; R63-A67 PolarHBondContact O-N 3.25Å; R63-M498 PolarHBondContact NH1-SD 3.06Å; R63-M498 VanDerWaalsContact NH1-SD 3.38Å; R63-M498 PolarHBondContact NH2-O 2.95Å; R63-Q508 HydrophobicContact CG-CB 4.37Å; R63-Q508 PolarHBondContact NE-O 3.18Å; R63-Q508 PolarHBondContact NH2-O 3.38Å
64C84.9Confident79.1Confident9 Ų946.6 Ų46.66%0.06128%0.282CS..Hα-helixtrans-58.8-48.9174.8-172.80000111.2I60 Y61 N62 H66 A67 A68 C95 Y428I60-C64 PolarHBondContact O-N 2.93Å; Y61-C64 WeakPolarHBondContact O-CB 3.35Å; Y61-C64 PolarHBondContact O-N 3.41Å; N62-C64 VanDerWaalsContact C-N 3.35Å; N62-C64 PolarHBondContact O-N 3.44Å; C64-H66 VanDerWaalsContact C-N 3.34Å; C64-H66 PolarHBondContact O-N 2.9Å; C64-A67 PolarHBondContact O-N 3.22Å; C64-A68 WeakPolarHBondContact O-CB 3.49Å; C64-A68 PolarHBondContact O-N 3.03Å; C64-C95 HydrophobicContact CB-CB 3.93Å; C64-C95 WeakPolarHBondContact CB-SG 3.23Å; C64-C95 PolarHBondContact O-SG 3.01Å; C64-C95 WeakPolarHBondContact SG-CB 3.43Å; C64-C95 CovalentContact SG-SG 2.04Å; C64-C95 PolarHBondContact SG-SG 3.37Å; C64-Y428 HydrophobicContact CB-CE1 3.89Å; C64-Y428 WeakPolarHBondContact SG-CE1 3.38Å
65K85.6Confident77.3Confident110 Ų11055.4 Ų55.448%0.47832%0.323SS..Hα-helixtrans-60-42.5179.3-172.9-176.1175.4-170.30112.1Y61 N62 A68 A69Y61-K65 PolarHBondContact O-N 3.03Å; N62-K65 PolarHBondContact O-N 3.27Å; K65-A68 PolarHBondContact O-N 2.93Å; K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.27Å
66H82.4Confident75.1Confident98 Ų9862.2 Ų62.245%0.45436%0.359SS..Hα-helixtrans-65.9-40.5175.9-80.5-68.7000112.5N62 R63 C64 A69 N70 Q508N62-H66 PolarHBondContact O-CD2 2.85Å; N62-H66 PolarHBondContact O-N 3.06Å; R63-H66 PolarHBondContact O-N 2.95Å; C64-H66 VanDerWaalsContact C-N 3.34Å; C64-H66 PolarHBondContact O-N 2.9Å; H66-A69 PolarHBondContact O-N 3.17Å; H66-N70 WeakPolarHBondContact O-CB 2.9Å; H66-N70 VanDerWaalsContact O-CG 3.27Å; H66-N70 PolarHBondContact O-N 3.35Å; H66-Q508 PolarHBondContact CD2-OE1 3.2Å
67A79.2Confident73.1Confident61 Ų6167.3 Ų67.350%0.50440%0.395SS..Hα-helixtrans-65.3-39.5175.100000112.2R63 C64 N70 S71R63-A67 WeakPolarHBondContact O-CB 3.37Å; R63-A67 PolarHBondContact O-N 3.25Å; C64-A67 PolarHBondContact O-N 3.22Å; A67-N70 PolarHBondContact O-N 3.45Å; A67-S71 WeakPolarHBondContact O-CB 3.5Å; A67-S71 PolarHBondContact O-N 2.91Å; A67-S71 PolarHBondContact O-OG 2.83Å
68A80.1Confident71.2Confident44 Ų4474.8 Ų74.836%0.36444%0.435SS..Hα-helixtrans-65.2-41.1174.500000112.1C64 K65 S71 S72C64-A68 WeakPolarHBondContact O-CB 3.49Å; C64-A68 PolarHBondContact O-N 3.03Å; K65-A68 PolarHBondContact O-N 2.93Å; A68-S71 WeakPolarHBondContact CA-OG 3.33Å; A68-S71 PolarHBondContact O-N 3.12Å; A68-S71 PolarHBondContact O-OG 3.42Å; A68-S71 VanDerWaalsContact O-OG 3.05Å; A68-S72 PolarHBondContact O-N 3.4Å
69A78.5Confident69.2Low58 Ų5882.2 Ų82.248%0.47947%0.473SS..Hα-helixtrans-68.9-34.2177.300000113.1K65 H66 S71 S72K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.27Å; H66-A69 PolarHBondContact O-N 3.17Å; A69-S71 VanDerWaalsContact C-N 3.31Å; A69-S72 PolarHBondContact O-OG 3.25Å
70N73.1Confident67.3Low140 Ų14089 Ų8975%0.74951%0.514SS*.Hα-helixtrans-79.5-14.2177.8-69.6-7.5000113.2H66 A67H66-N70 WeakPolarHBondContact O-CB 2.9Å; H66-N70 VanDerWaalsContact O-CG 3.27Å; H66-N70 PolarHBondContact O-N 3.35Å; A67-N70 PolarHBondContact O-N 3.45Å
71S67.2Low65.2Low69 Ų6992.1 Ų92.148%0.48355%0.547SS..Hα-helixtrans-98.2-5.3178.150.60000113.8A67 A68 A69A67-S71 WeakPolarHBondContact O-CB 3.5Å; A67-S71 PolarHBondContact O-N 2.91Å; A67-S71 PolarHBondContact O-OG 2.83Å; A68-S71 WeakPolarHBondContact CA-OG 3.33Å; A68-S71 PolarHBondContact O-N 3.12Å; A68-S71 PolarHBondContact O-OG 3.42Å; A68-S71 VanDerWaalsContact O-OG 3.05Å; A69-S71 VanDerWaalsContact C-N 3.31Å
72S54.1Low63.4Low62 Ų6297.6 Ų97.643%0.43458%0.577SS.*SBendtrans-74.1126.4165.453.80000110A68 A69A68-S72 PolarHBondContact O-N 3.4Å; A69-S72 PolarHBondContact O-OG 3.25Å
73P53.8Low61.8Low104 Ų104107.1 Ų107.168%0.67561%0.614SS**PPolyproline II helixtrans-62.4146.9175.825.9-31.6000109.9E75P73-E75 PolarHBondContact O-N 3.03Å; P73-E75 VanDerWaalsContact O-N 3.17Å
74P47.5Very low59.5Low114 Ų114110.3 Ų110.374%0.7465%0.647SS**PPolyproline II helixtrans-59.2123.1170.624.2-30.6000108.5N76P74-N76 PolarHBondContact O-N 3.43Å
75E49.7Very low57.3Low191 Ų191116 Ų11689%0.89368%0.682SS**  trans-64.676.2165-83.5-175.5149.100109.1P73P73-E75 PolarHBondContact O-N 3.03Å; P73-E75 VanDerWaalsContact O-N 3.17Å
76N44Very low55.1Low147 Ų147115.8 Ų115.879%0.78670%0.7SS**  trans-117.676.1157.8-80.9-12.4000106.7P74 N78P74-N76 PolarHBondContact O-N 3.43Å; N76-N78 PolarHBondContact O-N 2.9Å; N76-N78 VanDerWaalsContact O-N 3.17Å
77S47.9Very low52.9Low106 Ų106117.5 Ų117.574%0.74171%0.713SS**  trans-59.3111.6160.450.80000108.5
78N49.2Very low51Low158 Ų158120.5 Ų120.585%0.84573%0.727SS**  trans178.970.2139.8-86.2-11.5000110.4N76N76-N78 PolarHBondContact O-N 2.9Å; N76-N78 VanDerWaalsContact O-N 3.17Å
79I44.4Very low49.2Very low165 Ų165124.3 Ų124.385%0.84675%0.745SS**  trans-139.1104.9157.2-55.3-178.6000109.1
80T48Very low47.5Very low148 Ų148126.5 Ų126.591%0.90876%0.755SS**  trans-63.6118.715839.60000109.5
81G41.9Very low46.1Very low68 Ų68123.7 Ų123.770%0.70175%0.746SS**  trans-177.8108.1173.200000111.8
82L49.6Very low45.3Very low146 Ų146127.5 Ų127.576%0.76476%0.756SS**  trans-57.5151.4172.1-100.973.9000111.7
83Y51.3Low45.5Very low219 Ų219129.8 Ų129.886%0.85976%0.76SS**  trans81.387.7171.6-50.5-74.5000116.5
84A36.4Very low46.2Very low99 Ų99128.8 Ų128.882%0.81875%0.754SS**  trans-126.3117.5154.900000109A86A84-A86 PolarHBondContact O-N 3.29Å
85T39.2Very low47.8Very low130 Ų130125 Ų12580%0.79873%0.729SS**  trans-51.7129.5166.930.80000110N87T85-N87 PolarHBondContact O-N 2.86Å
86A39Very low49.2Very low104 Ų104122.4 Ų122.486%0.8672%0.715SS**  trans-64.993.4178.700000110.6A84A84-A86 PolarHBondContact O-N 3.29Å
87N37.3Very low51Low135 Ų135122 Ų12272%0.72271%0.706SS**PPolyproline II helixtrans-71.9137.7156-71.2-27.6000107.7T85 V89T85-N87 PolarHBondContact O-N 2.86Å; N87-V89 PolarHBondContact O-N 3.45Å; N87-V89 VanDerWaalsContact O-N 3.11Å
88P39.6Very low52.6Low124 Ų124117.2 Ų117.281%0.80567%0.673SS**PPolyproline II helixtrans-62.9120.1-18025.2-30.7000109.2
89V41.1Very low53.9Low123 Ų123118 Ų11875%0.74566%0.664SS**PPolyproline II helixtrans-52.5128.3169.9178.10000107.8N87 S91N87-V89 PolarHBondContact O-N 3.45Å; N87-V89 VanDerWaalsContact O-N 3.11Å; V89-S91 PolarHBondContact O-N 2.7Å; V89-S91 VanDerWaalsContact O-N 3.15Å
90P44.2Very low55.5Low104 Ų104110.9 Ų110.968%0.67563%0.629SS**PPolyproline II helixtrans-59.7123.8171.1-8.120000107.3Q92P90-Q92 PolarHBondContact O-N 3.16Å
91S42.2Very low57.1Low82 Ų82104.9 Ų104.957%0.57359%0.59SS**  trans-50.811217640.10000109.5V89 H93V89-S91 PolarHBondContact O-N 2.7Å; V89-S91 VanDerWaalsContact O-N 3.15Å; S91-H93 PolarHBondContact O-CD2 3.42Å; S91-H93 VanDerWaalsContact O-CD2 3.3Å; S91-H93 PolarHBondContact O-N 2.93Å; S91-H93 PolarHBondContact OG-CD2 3.44Å; S91-H93 PolarHBondContact OG-NE2 2.76Å
92Q51.7Low59Low149 Ų149102.1 Ų102.170%0.69656%0.559SS**  trans-6588.6168.9-74.4-173.7-11.500107.6P90 P94P90-Q92 PolarHBondContact O-N 3.16Å; Q92-P94 VanDerWaalsContact O-CD 3.31Å; Q92-P94 WeakPolarHBondContact O-CD 3.32Å
93H58.7Low60.5Low110 Ų11098.3 Ų98.351%0.50954%0.543SS..  trans-70.3118.9172.3-72-73.1000108.1S91 C95 Y428S91-H93 PolarHBondContact O-CD2 3.42Å; S91-H93 VanDerWaalsContact O-CD2 3.3Å; S91-H93 PolarHBondContact O-N 2.93Å; S91-H93 PolarHBondContact OG-CD2 3.44Å; S91-H93 PolarHBondContact OG-NE2 2.76Å; H93-C95 PolarHBondContact O-N 3.03Å; H93-Y428 HydrophobicContact CB-CE2 4.1Å
94P68.4Low61.7Low83 Ų8392.9 Ų92.954%0.53953%0.528SS..  trans-65.4119.6178.424.9-31.8000109.7Q92 F96Q92-P94 VanDerWaalsContact O-CD 3.31Å; Q92-P94 WeakPolarHBondContact O-CD 3.32Å; P94-F96 HydrophobicContact CB-CE2 4.43Å; P94-F96 HydrophobicContact CB-CZ 4.25Å; P94-F96 HydrophobicContact CG-CE2 3.86Å; P94-F96 HydrophobicContact CG-CZ 3.74Å; P94-F96 VanDerWaalsContact O-CD2 3.31Å; P94-F96 WeakPolarHBondContact O-CD2 3.4Å; P94-F96 WeakPolarHBondContact O-CE2 3.4Å; P94-F96 PolarHBondContact O-N 3.12Å; P94-F96 VanDerWaalsContact O-N 3.14Å
95C79.3Confident63.8Low33 Ų3390.1 Ų90.122%0.22351%0.51CS..  trans-70.4105.5172.8-56.90000109.2Y61 C64 H93Y61-C95 HydrophobicContact CE2-CB 4.24Å; C64-C95 HydrophobicContact CB-CB 3.93Å; C64-C95 WeakPolarHBondContact CB-SG 3.23Å; C64-C95 PolarHBondContact O-SG 3.01Å; C64-C95 WeakPolarHBondContact SG-CB 3.43Å; C64-C95 CovalentContact SG-SG 2.04Å; C64-C95 PolarHBondContact SG-SG 3.37Å; H93-C95 PolarHBondContact O-N 3.03Å
96F79.9Confident66Low138 Ų13888.4 Ų88.461%0.60550%0.495SS*.PPolyproline II helixtrans-76.7135.3176.5-64.8-77.5000110.8Y61 P94 Y430Y61-F96 VanDerWaalsContact CD2-O 3.3Å; Y61-F96 WeakPolarHBondContact CD2-O 3.42Å; Y61-F96 WeakPolarHBondContact CE2-O 3.35Å; P94-F96 HydrophobicContact CB-CE2 4.43Å; P94-F96 HydrophobicContact CB-CZ 4.25Å; P94-F96 HydrophobicContact CG-CE2 3.86Å; P94-F96 HydrophobicContact CG-CZ 3.74Å; P94-F96 VanDerWaalsContact O-CD2 3.31Å; P94-F96 WeakPolarHBondContact O-CD2 3.4Å; P94-F96 WeakPolarHBondContact O-CE2 3.4Å; P94-F96 PolarHBondContact O-N 3.12Å; P94-F96 VanDerWaalsContact O-N 3.14Å; F96-Y430 WeakPolarHBondContact O-CE2 3.32Å
97K81.2Confident68.2Low137 Ų13784 Ų8460%0.59646%0.457SS*.PPolyproline II helixtrans-66.7126.2176.8-173.6177.9-176.3173.40110.1Y61 Y101Y61-K97 HydrophobicContact CE2-CB 4.24Å; K97-Y101 HydrophobicContact CD-CD1 4.33Å; K97-Y101 HydrophobicContact CD-CG 4.42Å; K97-Y101 VanDerWaalsContact CE-CG 3.49Å; K97-Y101 HydrophobicContact CG-CD1 4.45Å; K97-Y101 HydrophobicContact CG-CG 4.04Å
98P81.4Confident70.6Confident6 Ų679.8 Ų79.84%0.03944%0.437CS..PPolyproline II helixtrans-64.9147.9176.920.6-26000110.6Y61 S100 Y101 Y430Y61-P98 VanDerWaalsContact CD2-CD 3.49Å; Y61-P98 HydrophobicContact CG-CG 4.19Å; P98-S100 PolarHBondContact O-N 3.38Å; P98-Y101 HydrophobicContact CG-CD2 4.38Å; P98-Y101 VanDerWaalsContact O-CB 3.31Å; P98-Y101 WeakPolarHBondContact O-CB 3.29Å; P98-Y101 PolarHBondContact O-N 2.98Å; P98-Y101 VanDerWaalsContact O-N 3.08Å; P98-Y430 HydrophobicContact CB-CD1 4.21Å; P98-Y430 HydrophobicContact CB-CD2 4.09Å; P98-Y430 HydrophobicContact CB-CG 3.76Å; P98-Y430 HydrophobicContact CG-CD1 4.41Å; P98-Y430 HydrophobicContact CG-CG 4.39Å
99W77.1Confident72.9Confident175 Ų17579.3 Ų79.366%0.66343%0.426SS*.THydrogen-bonded Turntrans-55.4-38.3177.5179.5-85.1000112.2M1M1-W99 HydrophobicContact CB-CH2 4.4Å; M1-W99 HydrophobicContact CB-CZ2 3.8Å; M1-W99 HydrophobicContact CG-CH2 4.48Å; M1-W99 HydrophobicContact CG-CZ2 4.29Å; M1-W99 HydrophobicContact SD-CH2 4.13Å; M1-W99 HydrophobicContact SD-CZ2 4.03Å
100S78.6Confident75.2Confident15 Ų1575.8 Ų75.811%0.10540%0.401CS..THydrogen-bonded Turntrans-89.912.1-178.7550000114.2P98 I102 E434P98-S100 PolarHBondContact O-N 3.38Å; S100-I102 PolarHBondContact O-N 3Å; S100-E434 WeakPolarHBondContact CB-OE2 3.48Å; S100-E434 PolarHBondContact OG-OE2 2.88Å
101Y81.3Confident77.3Confident23 Ų2371.1 Ų71.19%0.0937%0.37CS..PPolyproline II helixtrans-55.1127.9-179.5178.4-97.2000112.2S2 T58 Y61 K97 P98 D104S2-Y101 WeakPolarHBondContact CB-O 3.07Å; S2-Y101 PolarHBondContact OG-O 3.22Å; T58-Y101 HydrophobicContact CG2-CD2 4.06Å; T58-Y101 HydrophobicContact CG2-CE2 3.96Å; Y61-Y101 AromaticContact CD1-CD2 3.55Å; Y61-Y101 HydrophobicContact CD1-CD2 3.55Å; Y61-Y101 AromaticContact CD1-CE2 3.48Å; Y61-Y101 HydrophobicContact CD1-CE2 3.48Å; Y61-Y101 VanDerWaalsContact CD1-CE2 3.48Å; Y61-Y101 AromaticContact CE1-CD2 3.74Å; Y61-Y101 HydrophobicContact CE1-CD2 3.74Å; Y61-Y101 AromaticContact CE1-CE2 3.51Å; Y61-Y101 HydrophobicContact CE1-CE2 3.51Å; Y61-Y101 HydrophobicContact CG-CD2 4.45Å; K97-Y101 HydrophobicContact CD-CD1 4.33Å; K97-Y101 HydrophobicContact CD-CG 4.42Å; K97-Y101 VanDerWaalsContact CE-CG 3.49Å; K97-Y101 HydrophobicContact CG-CD1 4.45Å; K97-Y101 HydrophobicContact CG-CG 4.04Å; P98-Y101 HydrophobicContact CG-CD2 4.38Å; P98-Y101 VanDerWaalsContact O-CB 3.31Å; P98-Y101 WeakPolarHBondContact O-CB 3.29Å; P98-Y101 PolarHBondContact O-N 2.98Å; P98-Y101 VanDerWaalsContact O-N 3.08Å; Y101-D104 PolarHBondContact OH-OD1 3.42Å; Y101-D104 PolarHBondContact OH-OD2 3.07Å
102I81.1Confident79.5Confident10 Ų1074 Ų745%0.05137%0.368CS..PPolyproline II helixtrans-102.1130.4174.2-66.4162.4000108.6L6 L54 S100 I106 M107L6-I102 HydrophobicContact CD1-CD1 3.65Å; L6-I102 HydrophobicContact CD1-CG1 4.16Å; L54-I102 HydrophobicContact CB-CD1 4.02Å; L54-I102 HydrophobicContact CD1-CD1 4.12Å; S100-I102 PolarHBondContact O-N 3Å; I102-I106 HydrophobicContact CG2-CB 3.93Å; I102-I106 HydrophobicContact CG2-CG2 4.13Å; I102-M107 HydrophobicContact CD1-CE 3.28Å; I102-M107 HydrophobicContact CG1-CE 4.46Å
103P81.3Confident81.3Confident66 Ų6670.9 Ų70.943%0.42936%0.359SS..PPolyproline II helixtrans-53.3143.1176.7-26.432.7000113.9G105 I106P103-G105 PolarHBondContact O-N 3.24Å; P103-I106 HydrophobicContact CB-CD1 3.96Å; P103-I106 HydrophobicContact CB-CG1 4.46Å; P103-I106 HydrophobicContact CG-CD1 3.98Å; P103-I106 PolarHBondContact O-N 2.89Å
104D76.1Confident82.8Confident104 Ų10466 Ų6656%0.55634%0.336SS*.THydrogen-bonded Turntrans-55.7136.9177.1-58.8-37.2000110.7N62 Y101N62-D104 PolarHBondContact ND2-OD1 3.03Å; Y101-D104 PolarHBondContact OH-OD1 3.42Å; Y101-D104 PolarHBondContact OH-OD2 3.07Å
105G80.5Confident83.6Confident41 Ų4163.1 Ų63.142%0.42332%0.315SS..THydrogen-bonded Turntrans95.3-28.4-178.900000115.6P103 I109P103-G105 PolarHBondContact O-N 3.24Å; G105-I109 WeakPolarHBondContact O-CD1 3.44Å; G105-I109 VanDerWaalsContact O-CG1 3.28Å; G105-I109 WeakPolarHBondContact O-CG1 3.4Å
106I85.6Confident84Confident95 Ų9569 Ų6949%0.48733%0.333SS..Hα-helixtrans-70.5-46178.9-60.4179.5000111.1I102 P103 I109 F110I102-I106 HydrophobicContact CG2-CB 3.93Å; I102-I106 HydrophobicContact CG2-CG2 4.13Å; P103-I106 HydrophobicContact CB-CD1 3.96Å; P103-I106 HydrophobicContact CB-CG1 4.46Å; P103-I106 HydrophobicContact CG-CD1 3.98Å; P103-I106 PolarHBondContact O-N 2.89Å; I106-I109 PolarHBondContact O-N 3.38Å; I106-F110 WeakPolarHBondContact O-CB 3.35Å; I106-F110 PolarHBondContact O-N 3.37Å
107M85.9Confident84.6Confident12 Ų1264.7 Ų64.76%0.05932%0.318CS..Hα-helixtrans-61.7-45.2-176.3-170.76679.300113.2I51 L54 D55 I102 I109 F110 W111 A511I51-M107 HydrophobicContact CG2-CE 4.07Å; I51-M107 HydrophobicContact CG2-SD 3.8Å; L54-M107 HydrophobicContact CB-CE 4.44Å; D55-M107 HydrophobicContact CB-CE 3.99Å; D55-M107 HydrophobicContact CB-CG 4.33Å; D55-M107 HydrophobicContact CB-SD 4.22Å; I102-M107 HydrophobicContact CD1-CE 3.28Å; I102-M107 HydrophobicContact CG1-CE 4.46Å; M107-I109 VanDerWaalsContact C-N 3.35Å; M107-I109 PolarHBondContact O-N 2.89Å; M107-F110 PolarHBondContact O-N 2.92Å; M107-F110 HydrophobicContact SD-CD1 4.42Å; M107-W111 PolarHBondContact O-N 3.3Å; M107-W111 PolarHBondContact SD-NE1 3.3Å; M107-W111 VanDerWaalsContact SD-NE1 3.37Å; M107-A511 HydrophobicContact CB-CB 4.06Å; M107-A511 HydrophobicContact CG-CB 3.55Å
108P87.6Confident85Confident46 Ų4658.4 Ų58.430%0.29929%0.291SS..Hα-helixtrans-61.3-37.3173.3-2534.9000114.2R112 A511P108-R112 VanDerWaalsContact O-CB 3.32Å; P108-R112 WeakPolarHBondContact O-CB 3.4Å; P108-R112 PolarHBondContact O-N 3.5Å; P108-A511 HydrophobicContact CG-CB 4.14Å
109I88.7Confident85.3Confident114 Ų11459.7 Ų59.759%0.58530%0.296SS*.Hα-helixtrans-66.1-46.5176.5-66.2167.9000109.8G105 I106 M107 W111 R112 V113G105-I109 WeakPolarHBondContact O-CD1 3.44Å; G105-I109 VanDerWaalsContact O-CG1 3.28Å; G105-I109 WeakPolarHBondContact O-CG1 3.4Å; I106-I109 PolarHBondContact O-N 3.38Å; M107-I109 VanDerWaalsContact C-N 3.35Å; M107-I109 PolarHBondContact O-N 2.89Å; I109-W111 PolarHBondContact O-N 3.14Å; I109-R112 WeakPolarHBondContact O-CB 3.19Å; I109-R112 PolarHBondContact O-N 3.43Å; I109-V113 WeakPolarHBondContact O-CG2 3.36Å; I109-V113 PolarHBondContact O-N 3.35Å
110F88.6Confident86Confident49 Ų4956.2 Ų56.222%0.21529%0.286CS..Hα-helixtrans-56-52.5176.9175-92.5000111.3L47 I51 I106 M107 R112 V113 V114L47-F110 HydrophobicContact CD2-CE2 3.83Å; L47-F110 HydrophobicContact CD2-CZ 3.56Å; L47-F110 HydrophobicContact CG-CZ 4.1Å; I51-F110 HydrophobicContact CB-CE1 4.11Å; I51-F110 HydrophobicContact CB-CZ 4.41Å; I51-F110 HydrophobicContact CG1-CE1 4.07Å; I51-F110 HydrophobicContact CG1-CZ 3.87Å; I51-F110 HydrophobicContact CG2-CD1 3.99Å; I51-F110 HydrophobicContact CG2-CE1 3.58Å; I51-F110 HydrophobicContact CG2-CZ 4.22Å; I106-F110 WeakPolarHBondContact O-CB 3.35Å; I106-F110 PolarHBondContact O-N 3.37Å; M107-F110 PolarHBondContact O-N 2.92Å; M107-F110 HydrophobicContact SD-CD1 4.42Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 2.85Å; F110-V113 PolarHBondContact O-N 3.09Å; F110-V113 VanDerWaalsContact O-N 3.14Å; F110-V114 HydrophobicContact CD1-CG2 4.12Å; F110-V114 HydrophobicContact CD2-CG2 4.44Å; F110-V114 HydrophobicContact CE1-CG2 3.64Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CG-CG2 4.49Å; F110-V114 HydrophobicContact CZ-CG2 3.59Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 2.77Å
111W88.3Confident86.6Confident5 Ų555.6 Ų55.62%0.01928%0.282CS..Hα-helixtrans-62.2-35.7178.8-74129.5000113I48 I51 L52 D55 M107 I109 V114 Y115 Y512 I515I48-W111 HydrophobicContact CD1-CZ3 4.02Å; I48-W111 HydrophobicContact CG1-CH2 4.05Å; I48-W111 HydrophobicContact CG1-CZ3 3.74Å; I48-W111 HydrophobicContact CG2-CH2 4.2Å; I48-W111 HydrophobicContact CG2-CZ3 4.49Å; I51-W111 HydrophobicContact CG2-CH2 4.38Å; I51-W111 HydrophobicContact CG2-CZ2 3.94Å; L52-W111 HydrophobicContact CB-CH2 4.42Å; L52-W111 HydrophobicContact CB-CZ2 4.49Å; L52-W111 HydrophobicContact CD1-CH2 4.23Å; L52-W111 HydrophobicContact CD1-CZ2 3.98Å; D55-W111 PolarHBondContact OD2-NE1 3.38Å; M107-W111 PolarHBondContact O-N 3.3Å; M107-W111 PolarHBondContact SD-NE1 3.3Å; M107-W111 VanDerWaalsContact SD-NE1 3.37Å; I109-W111 PolarHBondContact O-N 3.14Å; W111-V114 HydrophobicContact CE3-CB 4.46Å; W111-V114 HydrophobicContact CE3-CG1 4.45Å; W111-V114 PolarHBondContact O-N 2.84Å; W111-Y115 WeakPolarHBondContact O-CB 3.36Å; W111-Y115 PolarHBondContact O-N 3.25Å; W111-Y512 AromaticContact CD2-CD2 3.68Å; W111-Y512 HydrophobicContact CD2-CD2 3.68Å; W111-Y512 HydrophobicContact CD2-CG 4.49Å; W111-Y512 AromaticContact CE2-CD2 3.83Å; W111-Y512 AromaticContact CE3-CD2 3.51Å; W111-Y512 HydrophobicContact CE3-CD2 3.51Å; W111-Y512 HydrophobicContact CE3-CE2 4.01Å; W111-Y512 HydrophobicContact CG-CD2 4.41Å; W111-Y512 AromaticContact CH2-CD2 3.73Å; W111-Y512 HydrophobicContact CH2-CD2 3.73Å; W111-Y512 HydrophobicContact CH2-CE2 4.27Å; W111-Y512 AromaticContact CZ2-CD2 3.89Å; W111-Y512 HydrophobicContact CZ2-CD2 3.89Å; W111-Y512 HydrophobicContact CZ2-CG 4.44Å; W111-Y512 AromaticContact CZ3-CD2 3.51Å; W111-Y512 HydrophobicContact CZ3-CD2 3.51Å; W111-Y512 AromaticContact CZ3-CE2 3.81Å; W111-Y512 HydrophobicContact CZ3-CE2 3.81Å; W111-I515 HydrophobicContact CB-CB 4.41Å; W111-I515 HydrophobicContact CB-CG1 4.19Å
112R88.1Confident87Confident144 Ų14454.7 Ų54.754%0.54328%0.278SS..Hα-helixtrans-63.2-44.9174.2-173.5178-63.4-175.10.5111.5P108 I109 F110 W116P108-R112 VanDerWaalsContact O-CB 3.32Å; P108-R112 WeakPolarHBondContact O-CB 3.4Å; P108-R112 PolarHBondContact O-N 3.5Å; I109-R112 WeakPolarHBondContact O-CB 3.19Å; I109-R112 PolarHBondContact O-N 3.43Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 2.85Å; R112-W116 PolarHBondContact O-N 3.4Å
113V89.8Confident87.3Confident82 Ų8258.6 Ų58.650%0.49729%0.293SS..Hα-helixtrans-61.4-50.9176172.60000110.2I109 F110 Y115 T117I109-V113 WeakPolarHBondContact O-CG2 3.36Å; I109-V113 PolarHBondContact O-N 3.35Å; F110-V113 PolarHBondContact O-N 3.09Å; F110-V113 VanDerWaalsContact O-N 3.14Å; V113-Y115 VanDerWaalsContact C-N 3.34Å; V113-Y115 PolarHBondContact O-N 3.1Å; V113-T117 HydrophobicContact CG1-CG2 4.2Å; V113-T117 VanDerWaalsContact O-CB 3.28Å; V113-T117 WeakPolarHBondContact O-CB 3.47Å; V113-T117 WeakPolarHBondContact O-CG2 3.23Å; V113-T117 PolarHBondContact O-N 3.29Å; V113-T117 PolarHBondContact O-OG1 2.84Å
114V89.6Confident87.8Confident7 Ų760.4 Ų60.44%0.04230%0.298CS..Hα-helixtrans-60.4-42.7-179.41730000111.7L44 I48 F110 W111 T117 S118L44-V114 HydrophobicContact CD2-CG2 4.18Å; I48-V114 HydrophobicContact CD1-CG1 3.8Å; I48-V114 HydrophobicContact CG1-CG1 4.41Å; F110-V114 HydrophobicContact CD1-CG2 4.12Å; F110-V114 HydrophobicContact CD2-CG2 4.44Å; F110-V114 HydrophobicContact CE1-CG2 3.64Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CG-CG2 4.49Å; F110-V114 HydrophobicContact CZ-CG2 3.59Å; F110-V114 WeakPolarHBondContact O-CG2 3.35Å; F110-V114 PolarHBondContact O-N 2.77Å; W111-V114 HydrophobicContact CE3-CB 4.46Å; W111-V114 HydrophobicContact CE3-CG1 4.45Å; W111-V114 PolarHBondContact O-N 2.84Å; V114-T117 WeakPolarHBondContact CA-OG1 3.23Å; V114-T117 PolarHBondContact O-OG1 3.09Å; V114-S118 VanDerWaalsContact O-CB 3.22Å; V114-S118 WeakPolarHBondContact O-CB 3.47Å; V114-S118 PolarHBondContact O-N 2.84Å; V114-S118 PolarHBondContact O-OG 3.26Å
115Y85.9Confident88.6Confident24 Ų2457.7 Ų57.79%0.09428%0.283CS..Hα-helixtrans-63.2-57.3179.2176.1-97.9000111.6W111 V113 T117 S118 Q119 I515 M516W111-Y115 WeakPolarHBondContact O-CB 3.36Å; W111-Y115 PolarHBondContact O-N 3.25Å; V113-Y115 VanDerWaalsContact C-N 3.34Å; V113-Y115 PolarHBondContact O-N 3.1Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 3.43Å; Y115-S118 PolarHBondContact O-N 3.41Å; Y115-Q119 HydrophobicContact CD1-CG 4.28Å; Y115-Q119 HydrophobicContact CD2-CG 4.44Å; Y115-Q119 HydrophobicContact CE1-CG 3.9Å; Y115-Q119 HydrophobicContact CE2-CG 4.1Å; Y115-Q119 WeakPolarHBondContact O-CG 3.48Å; Y115-Q119 PolarHBondContact O-N 3.46Å; Y115-I515 HydrophobicContact CG-CG2 4.48Å; Y115-M516 HydrophobicContact CD2-CE 3.68Å; Y115-M516 HydrophobicContact CD2-SD 3.64Å; Y115-M516 HydrophobicContact CE2-CE 4.13Å; Y115-M516 HydrophobicContact CE2-SD 4.2Å
116W87.3Confident89.1Confident157 Ų15755.8 Ų55.860%0.59526%0.263SS*.Hα-helixtrans-67.3-35.8-175.1-75.1110.7000112.4R112 Q119 F120R112-W116 PolarHBondContact O-N 3.4Å; W116-Q119 PolarHBondContact O-N 2.7Å; W116-F120 WeakPolarHBondContact O-CB 3.28Å; W116-F120 PolarHBondContact O-N 3.01Å
117T91.8Very high89.5Confident46 Ų4651.7 Ų51.728%0.28224%0.242SC..Hα-helixtrans-63.9-44.1172.752.90000111.3L44 V113 V114 Y115 Q119 F120 L121L44-T117 WeakPolarHBondContact CD1-OG1 3.34Å; V113-T117 HydrophobicContact CG1-CG2 4.2Å; V113-T117 VanDerWaalsContact O-CB 3.28Å; V113-T117 WeakPolarHBondContact O-CB 3.47Å; V113-T117 WeakPolarHBondContact O-CG2 3.23Å; V113-T117 PolarHBondContact O-N 3.29Å; V113-T117 PolarHBondContact O-OG1 2.84Å; V114-T117 WeakPolarHBondContact CA-OG1 3.23Å; V114-T117 PolarHBondContact O-OG1 3.09Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 3.43Å; T117-Q119 PolarHBondContact O-N 3.34Å; T117-F120 PolarHBondContact O-N 3.31Å; T117-L121 WeakPolarHBondContact O-CB 3.33Å; T117-L121 WeakPolarHBondContact O-CG 3.3Å; T117-L121 PolarHBondContact O-N 3.03Å
118S90.2Very high89.8Confident6 Ų653.2 Ų53.24%0.04225%0.249CC..Hα-helixtrans-63.8-39.2176.6-59.90000112.4V114 Y115 L121 T122V114-S118 VanDerWaalsContact O-CB 3.22Å; V114-S118 WeakPolarHBondContact O-CB 3.47Å; V114-S118 PolarHBondContact O-N 2.84Å; V114-S118 PolarHBondContact O-OG 3.26Å; Y115-S118 PolarHBondContact O-N 3.41Å; S118-L121 PolarHBondContact O-N 2.9Å; S118-T122 VanDerWaalsContact O-CB 3.29Å; S118-T122 WeakPolarHBondContact O-CB 3.03Å; S118-T122 PolarHBondContact O-N 2.92Å; S118-T122 PolarHBondContact O-OG1 3.04Å
119Q87.7Confident90Very high32 Ų3251.8 Ų51.815%0.1524%0.239CC..Hα-helixtrans-65.7-46.2175.4-65.9-56-26.800111.6Y115 W116 T117 L121 T122 W123Y115-Q119 HydrophobicContact CD1-CG 4.28Å; Y115-Q119 HydrophobicContact CD2-CG 4.44Å; Y115-Q119 HydrophobicContact CE1-CG 3.9Å; Y115-Q119 HydrophobicContact CE2-CG 4.1Å; Y115-Q119 WeakPolarHBondContact O-CG 3.48Å; Y115-Q119 PolarHBondContact O-N 3.46Å; W116-Q119 PolarHBondContact O-N 2.7Å; T117-Q119 PolarHBondContact O-N 3.34Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.22Å; Q119-T122 PolarHBondContact O-N 3.49Å; Q119-W123 PolarHBondContact O-N 3.29Å; Q119-W123 VanDerWaalsContact OE1-CD1 3.23Å
120F91.4Very high90.1Very high103 Ų10347.3 Ų47.345%0.45222%0.215SC..Hα-helixtrans-59.4-43.9176.1174.8-103.3000112.1W116 T117 I124 L125W116-F120 WeakPolarHBondContact O-CB 3.28Å; W116-F120 PolarHBondContact O-N 3.01Å; T117-F120 PolarHBondContact O-N 3.31Å; F120-I124 HydrophobicContact CD2-CB 4.04Å; F120-I124 HydrophobicContact CD2-CD1 3.96Å; F120-I124 HydrophobicContact CD2-CG1 4.43Å; F120-I124 HydrophobicContact CD2-CG2 4.38Å; F120-I124 HydrophobicContact CE2-CB 4.01Å; F120-I124 HydrophobicContact CE2-CD1 4.25Å; F120-I124 HydrophobicContact CE2-CG2 3.86Å; F120-I124 HydrophobicContact CZ-CG2 4.5Å; F120-I124 WeakPolarHBondContact O-CA 3.35Å; F120-I124 WeakPolarHBondContact O-CB 3.3Å; F120-I124 PolarHBondContact O-N 2.92Å; F120-L125 HydrophobicContact CD1-CB 4.29Å; F120-L125 HydrophobicContact CE1-CB 3.82Å; F120-L125 HydrophobicContact CE1-CD2 4.21Å; F120-L125 HydrophobicContact CE1-CG 4.42Å; F120-L125 HydrophobicContact CZ-CB 4.22Å; F120-L125 PolarHBondContact O-N 2.77Å
121L92.1Very high90.1Very high2 Ų245.8 Ų45.81%0.0121%0.211CC..Iπ-helixtrans-62.4-46.1176.2-73.3170.5000111.6L40 A41 L44 T117 S118 Q119 L125 L126L40-L121 HydrophobicContact CB-CD1 4.47Å; L40-L121 HydrophobicContact CD2-CD1 4.03Å; L40-L121 HydrophobicContact CD2-CD2 4.29Å; L40-L121 HydrophobicContact CG-CD1 3.96Å; A41-L121 HydrophobicContact CB-CD1 4.36Å; L44-L121 HydrophobicContact CD1-CD1 3.84Å; T117-L121 WeakPolarHBondContact O-CB 3.33Å; T117-L121 WeakPolarHBondContact O-CG 3.3Å; T117-L121 PolarHBondContact O-N 3.03Å; S118-L121 PolarHBondContact O-N 2.9Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.22Å; L121-L125 HydrophobicContact CD2-CB 4.26Å; L121-L125 HydrophobicContact CD2-CD2 3.59Å; L121-L125 HydrophobicContact CD2-CG 4.44Å; L121-L126 HydrophobicContact CB-CD1 4.15Å; L121-L126 HydrophobicContact CB-CG 4.3Å; L121-L126 HydrophobicContact CD2-CG 4.41Å; L121-L126 WeakPolarHBondContact O-CB 3.34Å; L121-L126 WeakPolarHBondContact O-CG 3.47Å; L121-L126 PolarHBondContact O-N 3.39Å
122T89.9Confident90.3Very high3 Ų347.3 Ų47.32%0.01822%0.217CC..Iπ-helixtrans-68.4-42-175.1-57.80000112.8S118 Q119 P127 M479 C482 R483S118-T122 VanDerWaalsContact O-CB 3.29Å; S118-T122 WeakPolarHBondContact O-CB 3.03Å; S118-T122 PolarHBondContact O-N 2.92Å; S118-T122 PolarHBondContact O-OG1 3.04Å; Q119-T122 PolarHBondContact O-N 3.49Å; T122-P127 WeakPolarHBondContact O-CD 3.42Å; T122-P127 WeakPolarHBondContact O-CG 3.43Å; T122-M479 HydrophobicContact CG2-CG 4.03Å; T122-C482 WeakPolarHBondContact OG1-CB 3.46Å; T122-R483 HydrophobicContact CG2-CB 4.26Å
123W87.9Confident90.2Very high93 Ų9342.5 Ų42.535%0.35221%0.208SC..Iπ-helixtrans-103.9-16.9-168.8-66107.8000114.6Q119 Y155 A190Q119-W123 PolarHBondContact O-N 3.29Å; Q119-W123 VanDerWaalsContact OE1-CD1 3.23Å; W123-Y155 AromaticContact CE3-CE1 3.98Å; W123-Y155 HydrophobicContact CE3-CE1 3.98Å; W123-Y155 HydrophobicContact CZ3-CE1 4.36Å; W123-Y155 PolarHBondContact O-OH 3.42Å; W123-A190 HydrophobicContact CZ2-CB 4.49Å
124I90.6Very high90Very high103 Ų10342.7 Ų42.753%0.52820%0.199SC..Iπ-helixtrans-125.5-65.4-174.4-55.5-177.9000110.4F120 F128F120-I124 HydrophobicContact CD2-CB 4.04Å; F120-I124 HydrophobicContact CD2-CD1 3.96Å; F120-I124 HydrophobicContact CD2-CG1 4.43Å; F120-I124 HydrophobicContact CD2-CG2 4.38Å; F120-I124 HydrophobicContact CE2-CB 4.01Å; F120-I124 HydrophobicContact CE2-CD1 4.25Å; F120-I124 HydrophobicContact CE2-CG2 3.86Å; F120-I124 HydrophobicContact CZ-CG2 4.5Å; F120-I124 WeakPolarHBondContact O-CA 3.35Å; F120-I124 WeakPolarHBondContact O-CB 3.3Å; F120-I124 PolarHBondContact O-N 2.92Å; I124-F128 WeakPolarHBondContact O-CB 3.12Å; I124-F128 PolarHBondContact O-N 2.92Å
125L92.4Very high89.9Confident48 Ų4842.5 Ų42.525%0.25120%0.198SC..Iπ-helixtrans-69.3-53.9-167.8-172.966.5000112.9F120 L121 F128 M129F120-L125 HydrophobicContact CD1-CB 4.29Å; F120-L125 HydrophobicContact CE1-CB 3.82Å; F120-L125 HydrophobicContact CE1-CD2 4.21Å; F120-L125 HydrophobicContact CE1-CG 4.42Å; F120-L125 HydrophobicContact CZ-CB 4.22Å; F120-L125 PolarHBondContact O-N 2.77Å; L121-L125 HydrophobicContact CD2-CB 4.26Å; L121-L125 HydrophobicContact CD2-CD2 3.59Å; L121-L125 HydrophobicContact CD2-CG 4.44Å; L125-F128 PolarHBondContact O-N 2.99Å; L125-M129 HydrophobicContact CD1-CE 3.77Å; L125-M129 HydrophobicContact CD1-CG 4.28Å; L125-M129 HydrophobicContact CG-CG 4.42Å; L125-M129 WeakPolarHBondContact O-CB 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.22Å; L125-M129 PolarHBondContact O-N 3.06Å
126L92.5Very high89.8Confident0 Ų041.4 Ų41.40%020%0.195CC..Hα-helixtrans-67.8-44.1-174.7-58.4174.9000112.9A41 L121 F128 M129 Q130 L475 M479A41-L126 HydrophobicContact CB-CD1 4.12Å; L121-L126 HydrophobicContact CB-CD1 4.15Å; L121-L126 HydrophobicContact CB-CG 4.3Å; L121-L126 HydrophobicContact CD2-CG 4.41Å; L121-L126 WeakPolarHBondContact O-CB 3.34Å; L121-L126 WeakPolarHBondContact O-CG 3.47Å; L121-L126 PolarHBondContact O-N 3.39Å; L126-F128 VanDerWaalsContact C-N 3.35Å; L126-F128 PolarHBondContact O-N 3.15Å; L126-M129 PolarHBondContact O-N 3.36Å; L126-Q130 VanDerWaalsContact O-CB 3.27Å; L126-Q130 WeakPolarHBondContact O-CB 3.49Å; L126-Q130 PolarHBondContact O-N 2.93Å; L126-L475 HydrophobicContact CD2-CD2 3.58Å; L126-M479 HydrophobicContact CB-CB 4.45Å; L126-M479 HydrophobicContact CB-CE 4.38Å; L126-M479 HydrophobicContact CD1-CB 4.16Å
127P92.6Very high89.8Confident9 Ų934.3 Ų34.36%0.05817%0.17CC..Hα-helixtrans-58.6-43.7174.1-21.330000113T122 Q130 S131 N151 Y155 M479T122-P127 WeakPolarHBondContact O-CD 3.42Å; T122-P127 WeakPolarHBondContact O-CG 3.43Å; P127-Q130 WeakPolarHBondContact O-CB 3.36Å; P127-Q130 PolarHBondContact O-N 3.07Å; P127-S131 PolarHBondContact O-N 3.29Å; P127-S131 VanDerWaalsContact O-N 3.13Å; P127-N151 WeakPolarHBondContact CB-OD1 3.29Å; P127-N151 PolarHBondContact O-ND2 2.93Å; P127-Y155 WeakPolarHBondContact CB-OH 3.47Å; P127-Y155 VanDerWaalsContact CG-OH 3.31Å; P127-Y155 WeakPolarHBondContact CG-OH 3.5Å; P127-M479 HydrophobicContact CB-CE 4.05Å; P127-M479 HydrophobicContact CG-CE 3.55Å; P127-M479 HydrophobicContact CG-SD 4.44Å
128F92.4Very high89.6Confident45 Ų4534.8 Ų34.820%0.19717%0.168CC..Hα-helixtrans-60.7-48.6175.8173.5-95.3000111.6I124 L125 L126 Q130 S131 Y132 I144 A147 L148I124-F128 WeakPolarHBondContact O-CB 3.12Å; I124-F128 PolarHBondContact O-N 2.92Å; L125-F128 PolarHBondContact O-N 2.99Å; L126-F128 VanDerWaalsContact C-N 3.35Å; L126-F128 PolarHBondContact O-N 3.15Å; F128-Q130 PolarHBondContact O-N 3.24Å; F128-S131 PolarHBondContact O-N 3.2Å; F128-Y132 WeakPolarHBondContact O-CB 3.48Å; F128-Y132 PolarHBondContact O-N 3.04Å; F128-I144 HydrophobicContact CE2-CG2 4.4Å; F128-I144 HydrophobicContact CZ-CG1 4.31Å; F128-I144 HydrophobicContact CZ-CG2 4.22Å; F128-A147 HydrophobicContact CD2-CB 4.1Å; F128-A147 HydrophobicContact CE2-CB 3.83Å; F128-A147 HydrophobicContact CZ-CB 4.42Å; F128-L148 HydrophobicContact CD2-CD2 4.1Å; F128-L148 HydrophobicContact CE2-CD2 3.92Å; F128-L148 HydrophobicContact CE2-CG 4.03Å
129M91.4Very high89.4Confident16 Ų1637.3 Ų37.38%0.07919%0.186CC..Hα-helixtrans-63.3-31.2179.2-70.4-62.8162.700112.1L33 L125 L126 Y132 A133 L475L33-M129 HydrophobicContact CB-CE 4.2Å; L33-M129 HydrophobicContact CB-SD 4.11Å; L33-M129 HydrophobicContact CD1-CE 3.7Å; L33-M129 HydrophobicContact CD1-SD 4.31Å; L125-M129 HydrophobicContact CD1-CE 3.77Å; L125-M129 HydrophobicContact CD1-CG 4.28Å; L125-M129 HydrophobicContact CG-CG 4.42Å; L125-M129 WeakPolarHBondContact O-CB 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.22Å; L125-M129 PolarHBondContact O-N 3.06Å; L126-M129 PolarHBondContact O-N 3.36Å; M129-Y132 PolarHBondContact O-N 3.43Å; M129-A133 VanDerWaalsContact O-CB 3.3Å; M129-A133 WeakPolarHBondContact O-CB 3.38Å; M129-A133 PolarHBondContact O-N 3Å; M129-L475 VanDerWaalsContact C-CD1 3.43Å; M129-L475 HydrophobicContact CB-CD1 3.68Å; M129-L475 HydrophobicContact CB-CD2 4.03Å
130Q90.9Very high89.4Confident19 Ų1941.3 Ų41.39%0.08921%0.207CC..Hα-helixtrans-68.7-46.3179.2-174178.5-11.900111L126 P127 F128 R134 Y472 L475 M479L126-Q130 VanDerWaalsContact O-CB 3.27Å; L126-Q130 WeakPolarHBondContact O-CB 3.49Å; L126-Q130 PolarHBondContact O-N 2.93Å; P127-Q130 WeakPolarHBondContact O-CB 3.36Å; P127-Q130 PolarHBondContact O-N 3.07Å; F128-Q130 PolarHBondContact O-N 3.24Å; Q130-R134 WeakPolarHBondContact O-CB 3.27Å; Q130-R134 PolarHBondContact O-N 3.3Å; Q130-Y472 HydrophobicContact CG-CD2 3.27Å; Q130-Y472 HydrophobicContact CG-CE2 3.43Å; Q130-Y472 VanDerWaalsContact CG-CE2 3.43Å; Q130-Y472 HydrophobicContact CG-CG 4.02Å; Q130-Y472 PolarHBondContact NE2-OH 2.98Å; Q130-Y472 VanDerWaalsContact NE2-OH 3.12Å; Q130-L475 HydrophobicContact CB-CB 4.38Å; Q130-L475 HydrophobicContact CB-CD1 4.11Å; Q130-M479 VanDerWaalsContact OE1-CE 3.25Å
131S90.3Very high89.3Confident18 Ų1841.6 Ų41.613%0.12622%0.217CC..Hα-helixtrans-66.4-37.7171.6-72.10000112.6P127 F128 R134 S135 E150 N151P127-S131 PolarHBondContact O-N 3.29Å; P127-S131 VanDerWaalsContact O-N 3.13Å; F128-S131 PolarHBondContact O-N 3.2Å; S131-R134 PolarHBondContact O-N 2.8Å; S131-S135 PolarHBondContact O-N 2.51Å; S131-S135 VanDerWaalsContact O-N 3.08Å; S131-E150 VanDerWaalsContact CB-OE2 3.26Å; S131-E150 WeakPolarHBondContact CB-OE2 3.34Å; S131-E150 PolarHBondContact OG-OE2 3.26Å; S131-N151 WeakPolarHBondContact CB-ND2 3.42Å; S131-N151 PolarHBondContact OG-ND2 3.49Å
132Y90.7Very high89Confident37 Ų3742.5 Ų42.515%0.14523%0.227CC..Hα-helixtrans-61.3-46.8176.1-179.8-90.7000111.8F128 M129 R134 S135 K143 I144F128-Y132 WeakPolarHBondContact O-CB 3.48Å; F128-Y132 PolarHBondContact O-N 3.04Å; M129-Y132 PolarHBondContact O-N 3.43Å; Y132-R134 VanDerWaalsContact C-N 3.3Å; Y132-R134 PolarHBondContact O-N 2.86Å; Y132-S135 PolarHBondContact O-N 2.97Å; Y132-S135 PolarHBondContact O-OG 3.38Å; Y132-K143 HydrophobicContact CD2-CB 3.75Å; Y132-K143 HydrophobicContact CE2-CB 3.45Å; Y132-K143 VanDerWaalsContact CE2-CB 3.45Å; Y132-K143 HydrophobicContact CE2-CD 4.18Å; Y132-K143 HydrophobicContact CE2-CG 4.46Å; Y132-I144 HydrophobicContact CD2-CG1 4.19Å; Y132-I144 HydrophobicContact CE2-CG1 3.97Å
133A87.3Confident89Confident43 Ų4344.8 Ų44.836%0.35524%0.237SC..Hα-helixtrans-64-34.5178.600000112.6M129 A471M129-A133 VanDerWaalsContact O-CB 3.3Å; M129-A133 WeakPolarHBondContact O-CB 3.38Å; M129-A133 PolarHBondContact O-N 3Å; A133-A471 HydrophobicContact CB-CB 3.95Å
134R84.9Confident89.2Confident85 Ų8543.5 Ų43.532%0.32124%0.236SC..Hα-helixtrans-79.5-11.7178.4165.1162.4158.8143.31.4114.1Q130 S131 Y132 K311 Y315Q130-R134 WeakPolarHBondContact O-CB 3.27Å; Q130-R134 PolarHBondContact O-N 3.3Å; S131-R134 PolarHBondContact O-N 2.8Å; Y132-R134 VanDerWaalsContact C-N 3.3Å; Y132-R134 PolarHBondContact O-N 2.86Å; R134-K311 VanDerWaalsContact O-CE 3.23Å; R134-K311 WeakPolarHBondContact O-CE 3.17Å; R134-Y315 VanDerWaalsContact CB-OH 3.26Å; R134-Y315 WeakPolarHBondContact CB-OH 3.27Å; R134-Y315 WeakPolarHBondContact CD-OH 3.34Å; R134-Y315 HydrophobicContact CG-CE2 4.41Å; R134-Y315 WeakPolarHBondContact CG-OH 3.3Å
135S87.4Confident89.2Confident3 Ų345.3 Ų45.32%0.02124%0.241CC..  trans-75.2131.3-176.670.60000112.6S131 Y132 G137 K143S131-S135 PolarHBondContact O-N 2.51Å; S131-S135 VanDerWaalsContact O-N 3.08Å; Y132-S135 PolarHBondContact O-N 2.97Å; Y132-S135 PolarHBondContact O-OG 3.38Å; S135-G137 VanDerWaalsContact C-N 3.26Å; S135-G137 PolarHBondContact O-N 3.42Å; S135-K143 VanDerWaalsContact OG-CB 3.22Å; S135-K143 WeakPolarHBondContact OG-CB 3.27Å; S135-K143 WeakPolarHBondContact OG-CD 3.45Å; S135-K143 WeakPolarHBondContact OG-CG 3.34Å
136G84.7Confident89.1Confident2 Ų245.4 Ų45.42%0.02124%0.243CC..  trans-83.57.6175.400000114.4H310G136-H310 PolarHBondContact O-ND1 3.11Å
137G87.1Confident89.1Confident7 Ų745.4 Ų45.47%0.07224%0.243CC..  trans-61.9139.1-175.500000112.3S135 K143S135-G137 VanDerWaalsContact C-N 3.26Å; S135-G137 PolarHBondContact O-N 3.42Å; G137-K143 WeakPolarHBondContact O-CE 3.44Å
138F86.6Confident89.1Confident56 Ų5649.7 Ų49.725%0.24627%0.265CS..SBendtrans-77.8-23.4179.8-61-73.5000113.2C267 T270 I271 L306 V307 H310F138-C267 HydrophobicContact CD1-CB 4.22Å; F138-C267 HydrophobicContact CD2-CB 4.04Å; F138-C267 HydrophobicContact CE1-CB 3.96Å; F138-C267 WeakPolarHBondContact CE1-O 3.15Å; F138-C267 HydrophobicContact CE2-CB 3.77Å; F138-C267 HydrophobicContact CG-CB 4.27Å; F138-C267 HydrophobicContact CZ-CB 3.74Å; F138-T270 HydrophobicContact CD1-CG2 4.07Å; F138-T270 HydrophobicContact CE1-CG2 4.48Å; F138-I271 HydrophobicContact CE1-CD1 4.32Å; F138-I271 HydrophobicContact CE1-CG1 3.89Å; F138-I271 HydrophobicContact CZ-CD1 4.03Å; F138-I271 HydrophobicContact CZ-CG1 4.12Å; F138-L306 HydrophobicContact CE2-CB 4.03Å; F138-L306 HydrophobicContact CZ-CB 4.16Å; F138-V307 HydrophobicContact CD2-CG2 3.9Å; F138-V307 HydrophobicContact CE2-CG2 3.68Å; F138-H310 AromaticContact CD1-ND1 3.7Å; F138-H310 HydrophobicContact CE1-CB 3.89Å; F138-H310 AromaticContact CE1-CE1 3.97Å; F138-H310 AromaticContact CE1-CG 3.68Å; F138-H310 AromaticContact CE1-ND1 3.37Å; F138-H310 WeakPolarHBondContact CE1-ND1 3.43Å; F138-H310 HydrophobicContact CZ-CB 3.78Å; F138-H310 AromaticContact CZ-ND1 3.97Å
139S87.8Confident89.1Confident59 Ų5951.6 Ų51.641%0.41328%0.276SS..SBendtrans-112.2151.6178.965.40000112.2T141 G142 K143S139-T141 VanDerWaalsContact C-N 3.27Å; S139-T141 PolarHBondContact O-N 3.46Å; S139-T141 PolarHBondContact OG-OG1 3.13Å; S139-G142 PolarHBondContact O-N 3.13Å; S139-G142 PolarHBondContact OG-N 3.34Å; S139-K143 WeakPolarHBondContact O-CG 3.38Å; S139-K143 PolarHBondContact O-N 3.41Å
140I87.5Confident89Confident116 Ų11653.6 Ų53.660%0.59529%0.285SS*.Hα-helixtrans-59.1-42176.4-63.1171.2000110.6K143 I144I140-K143 PolarHBondContact O-N 3.4Å; I140-I144 HydrophobicContact CG2-CD1 3.86Å; I140-I144 HydrophobicContact CG2-CG1 4.41Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 2.81Å
141T88Confident89.1Confident109 Ų10953.5 Ų53.567%0.66929%0.286SS*.Hα-helixtrans-63.4-41.4177.250.50000111.7S139 I144 K145S139-T141 VanDerWaalsContact C-N 3.27Å; S139-T141 PolarHBondContact O-N 3.46Å; S139-T141 PolarHBondContact OG-OG1 3.13Å; T141-I144 PolarHBondContact O-N 3.23Å; T141-K145 WeakPolarHBondContact O-CB 3.23Å; T141-K145 PolarHBondContact O-N 3.41Å
142G86.6Confident89.2Confident21 Ų2155.6 Ų55.622%0.21630%0.304CS..Hα-helixtrans-60.5-45.7173.600000111.8S139 K145 T146S139-G142 PolarHBondContact O-N 3.13Å; S139-G142 PolarHBondContact OG-N 3.34Å; G142-K145 PolarHBondContact O-N 3.22Å; G142-T146 PolarHBondContact O-N 3Å; G142-T146 PolarHBondContact O-OG1 3Å; G142-T146 VanDerWaalsContact O-OG1 3.07Å
143K89.5Confident89.3Confident51 Ų5159 Ų5922%0.22232%0.324CS..Hα-helixtrans-61.8-45.3176.9-67-163.9175.3-166.80112.9Y132 S135 G137 S139 I140 T146 A147Y132-K143 HydrophobicContact CD2-CB 3.75Å; Y132-K143 HydrophobicContact CE2-CB 3.45Å; Y132-K143 VanDerWaalsContact CE2-CB 3.45Å; Y132-K143 HydrophobicContact CE2-CD 4.18Å; Y132-K143 HydrophobicContact CE2-CG 4.46Å; S135-K143 VanDerWaalsContact OG-CB 3.22Å; S135-K143 WeakPolarHBondContact OG-CB 3.27Å; S135-K143 WeakPolarHBondContact OG-CD 3.45Å; S135-K143 WeakPolarHBondContact OG-CG 3.34Å; G137-K143 WeakPolarHBondContact O-CE 3.44Å; S139-K143 WeakPolarHBondContact O-CG 3.38Å; S139-K143 PolarHBondContact O-N 3.41Å; I140-K143 PolarHBondContact O-N 3.4Å; K143-T146 PolarHBondContact O-N 3.43Å; K143-A147 VanDerWaalsContact O-CB 3.31Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 2.96Å
144I92.1Very high89.3Confident66 Ų6662.2 Ų62.234%0.33833%0.327SS..Hα-helixtrans-62.8-45.8176.9-67.5170.7000110.4F128 Y132 I140 T141 T146 A147 L148F128-I144 HydrophobicContact CE2-CG2 4.4Å; F128-I144 HydrophobicContact CZ-CG1 4.31Å; F128-I144 HydrophobicContact CZ-CG2 4.22Å; Y132-I144 HydrophobicContact CD2-CG1 4.19Å; Y132-I144 HydrophobicContact CE2-CG1 3.97Å; I140-I144 HydrophobicContact CG2-CD1 3.86Å; I140-I144 HydrophobicContact CG2-CG1 4.41Å; I140-I144 WeakPolarHBondContact O-CG1 3.35Å; I140-I144 PolarHBondContact O-N 2.81Å; T141-I144 PolarHBondContact O-N 3.23Å; I144-T146 PolarHBondContact O-N 3.36Å; I144-A147 PolarHBondContact O-N 3.04Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.31Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.29Å; I144-L148 PolarHBondContact O-N 3.35Å
145K91.3Very high89.6Confident142 Ų14261.4 Ų61.462%0.61733%0.325SS*.Hα-helixtrans-59.6-47.6178.2-177.2178.1179.1179.10111.3T141 G142 A147 L148 I149T141-K145 WeakPolarHBondContact O-CB 3.23Å; T141-K145 PolarHBondContact O-N 3.41Å; G142-K145 PolarHBondContact O-N 3.22Å; K145-A147 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 3.17Å; K145-L148 PolarHBondContact O-N 2.88Å; K145-I149 HydrophobicContact CG-CD1 3.84Å; K145-I149 VanDerWaalsContact O-CG1 3.25Å; K145-I149 WeakPolarHBondContact O-CG1 3.2Å; K145-I149 PolarHBondContact O-N 3.34Å
146T89.6Confident89.8Confident50 Ų5063 Ų6331%0.30734%0.342SS..Hα-helixtrans-61.1-44.3176.1-59.40000111.3G142 K143 I144 L148 I149 E150G142-T146 PolarHBondContact O-N 3Å; G142-T146 PolarHBondContact O-OG1 3Å; G142-T146 VanDerWaalsContact O-OG1 3.07Å; K143-T146 PolarHBondContact O-N 3.43Å; I144-T146 PolarHBondContact O-N 3.36Å; T146-L148 PolarHBondContact O-N 3.35Å; T146-I149 PolarHBondContact O-N 3.05Å; T146-E150 HydrophobicContact CG2-CG 4.37Å; T146-E150 WeakPolarHBondContact O-CG 3.37Å; T146-E150 PolarHBondContact O-N 3.39Å
147A92Very high90.1Very high0 Ų066.2 Ų66.20%036%0.361CS..Hα-helixtrans-63.7-41.1179.800000112.9F128 K143 I144 K145 N151F128-A147 HydrophobicContact CD2-CB 4.1Å; F128-A147 HydrophobicContact CE2-CB 3.83Å; F128-A147 HydrophobicContact CZ-CB 4.42Å; K143-A147 VanDerWaalsContact O-CB 3.31Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 2.96Å; I144-A147 PolarHBondContact O-N 3.04Å; K145-A147 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 3.17Å; A147-N151 WeakPolarHBondContact O-CB 3.39Å; A147-N151 PolarHBondContact O-N 3.27Å; A147-N151 VanDerWaalsContact O-N 3.08Å; A147-N151 PolarHBondContact O-ND2 2.94Å
148L92.9Very high90.1Very high99 Ų9971.5 Ų71.552%0.51838%0.379SS..Hα-helixtrans-65.1-43.1175-73.2175.3000111.7F128 I144 K145 T146 N151 A152F128-L148 HydrophobicContact CD2-CD2 4.1Å; F128-L148 HydrophobicContact CE2-CD2 3.92Å; F128-L148 HydrophobicContact CE2-CG 4.03Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.31Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.29Å; I144-L148 PolarHBondContact O-N 3.35Å; K145-L148 PolarHBondContact O-N 2.88Å; T146-L148 PolarHBondContact O-N 3.35Å; L148-N151 PolarHBondContact O-N 2.87Å; L148-A152 WeakPolarHBondContact O-CB 3.43Å; L148-A152 PolarHBondContact O-N 3.13Å
149I91.4Very high90.2Very high85 Ų8575.1 Ų75.144%0.43640%0.401SS..Hα-helixtrans-64.3-47.3178.6-68.5166.6000110.8K145 T146 N151 A152 I153K145-I149 HydrophobicContact CG-CD1 3.84Å; K145-I149 VanDerWaalsContact O-CG1 3.25Å; K145-I149 WeakPolarHBondContact O-CG1 3.2Å; K145-I149 PolarHBondContact O-N 3.34Å; T146-I149 PolarHBondContact O-N 3.05Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 3Å; I149-A152 PolarHBondContact O-N 3.39Å; I149-I153 HydrophobicContact CG2-CD1 3.79Å; I149-I153 HydrophobicContact CG2-CG1 4.42Å; I149-I153 VanDerWaalsContact O-CG1 3.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.27Å; I149-I153 PolarHBondContact O-N 3.49Å
150E90.3Very high90.5Very high57 Ų5778 Ų7827%0.26641%0.411SS..Hα-helixtrans-59.5-44.6178.6-74.1-174.8172.600111.6S131 T146 Y154S131-E150 VanDerWaalsContact CB-OE2 3.26Å; S131-E150 WeakPolarHBondContact CB-OE2 3.34Å; S131-E150 PolarHBondContact OG-OE2 3.26Å; T146-E150 HydrophobicContact CG2-CG 4.37Å; T146-E150 WeakPolarHBondContact O-CG 3.37Å; T146-E150 PolarHBondContact O-N 3.39Å; E150-Y154 PolarHBondContact O-N 2.92Å; E150-Y154 VanDerWaalsContact O-N 3.13Å
151N92.3Very high90.6Very high18 Ų1876.8 Ų76.810%0.09641%0.405CS..Hα-helixtrans-69.9-38.5176.7-78.5-79.7000112.2P127 S131 A147 L148 I149 I153 Y154 Y155P127-N151 WeakPolarHBondContact CB-OD1 3.29Å; P127-N151 PolarHBondContact O-ND2 2.93Å; S131-N151 WeakPolarHBondContact CB-ND2 3.42Å; S131-N151 PolarHBondContact OG-ND2 3.49Å; A147-N151 WeakPolarHBondContact O-CB 3.39Å; A147-N151 PolarHBondContact O-N 3.27Å; A147-N151 VanDerWaalsContact O-N 3.08Å; A147-N151 PolarHBondContact O-ND2 2.94Å; L148-N151 PolarHBondContact O-N 2.87Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 3Å; N151-I153 VanDerWaalsContact C-N 3.32Å; N151-I153 PolarHBondContact O-N 3.38Å; N151-Y154 PolarHBondContact O-N 3.5Å; N151-Y155 HydrophobicContact CB-CD2 4.15Å; N151-Y155 HydrophobicContact CB-CE2 4.06Å; N151-Y155 WeakPolarHBondContact O-CD2 3.46Å; N151-Y155 PolarHBondContact O-N 3.25Å
152A92.6Very high90.5Very high62 Ų6276 Ų7651%0.51239%0.392SS..Hα-helixtrans-64.7-36.4177.500000112L148 I149 G156L148-A152 WeakPolarHBondContact O-CB 3.43Å; L148-A152 PolarHBondContact O-N 3.13Å; I149-A152 PolarHBondContact O-N 3.39Å; A152-G156 VanDerWaalsContact O-CA 3.25Å; A152-G156 WeakPolarHBondContact O-CA 3.25Å; A152-G156 PolarHBondContact O-N 3.27Å
153I92.4Very high90.6Very high109 Ų10976.1 Ų76.156%0.55939%0.393SS*.Hα-helixtrans-63.8-48.6171.9-67.6164.5000109.6I149 N151 G156 T157I149-I153 HydrophobicContact CG2-CD1 3.79Å; I149-I153 HydrophobicContact CG2-CG1 4.42Å; I149-I153 VanDerWaalsContact O-CG1 3.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.27Å; I149-I153 PolarHBondContact O-N 3.49Å; N151-I153 VanDerWaalsContact C-N 3.32Å; N151-I153 PolarHBondContact O-N 3.38Å; I153-G156 PolarHBondContact O-N 3.38Å; I153-T157 WeakPolarHBondContact O-CG2 3.3Å; I153-T157 PolarHBondContact O-N 3.04Å; I153-T157 PolarHBondContact O-OG1 3.38Å
154Y88.6Confident90.6Very high109 Ų10976.2 Ų76.243%0.42740%0.404SS..Hα-helixtrans-61.5-50.8-179.5-176.7-104.2000112.6E150 N151 G156 T157 Y158E150-Y154 PolarHBondContact O-N 2.92Å; E150-Y154 VanDerWaalsContact O-N 3.13Å; N151-Y154 PolarHBondContact O-N 3.5Å; Y154-G156 VanDerWaalsContact C-N 3.35Å; Y154-T157 PolarHBondContact O-OG1 2.84Å; Y154-Y158 HydrophobicContact CD1-CD2 4.29Å; Y154-Y158 AromaticContact CD1-CE2 3.9Å; Y154-Y158 HydrophobicContact CD1-CE2 3.9Å; Y154-Y158 HydrophobicContact CD2-CE2 4.02Å; Y154-Y158 HydrophobicContact CE1-CD2 4.16Å; Y154-Y158 AromaticContact CE1-CE2 3.46Å; Y154-Y158 HydrophobicContact CE1-CE2 3.46Å; Y154-Y158 VanDerWaalsContact CE1-CE2 3.46Å; Y154-Y158 AromaticContact CE2-CE2 3.57Å; Y154-Y158 HydrophobicContact CE2-CE2 3.57Å; Y154-Y158 HydrophobicContact CG-CE2 4.18Å; Y154-Y158 AromaticContact CZ-CE2 3.29Å; Y154-Y158 AromaticContact CZ-CZ 3.84Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.23Å; Y154-Y158 PolarHBondContact O-N 2.88Å; Y154-Y158 PolarHBondContact OH-OH 3.48Å
155Y90.9Very high90.2Very high69 Ų6979.5 Ų79.527%0.27142%0.416SS..Hα-helixtrans-71.5-31.3177.5-67.2-60.4000112.6W123 P127 N151 T157 Y158 L159W123-Y155 AromaticContact CE3-CE1 3.98Å; W123-Y155 HydrophobicContact CE3-CE1 3.98Å; W123-Y155 HydrophobicContact CZ3-CE1 4.36Å; W123-Y155 PolarHBondContact O-OH 3.42Å; P127-Y155 WeakPolarHBondContact CB-OH 3.47Å; P127-Y155 VanDerWaalsContact CG-OH 3.31Å; P127-Y155 WeakPolarHBondContact CG-OH 3.5Å; N151-Y155 HydrophobicContact CB-CD2 4.15Å; N151-Y155 HydrophobicContact CB-CE2 4.06Å; N151-Y155 WeakPolarHBondContact O-CD2 3.46Å; N151-Y155 PolarHBondContact O-N 3.25Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 3.07Å; Y155-Y158 PolarHBondContact O-N 3.24Å; Y155-L159 WeakPolarHBondContact O-CB 3.48Å; Y155-L159 PolarHBondContact O-N 3.46Å
156G92Very high89.9Confident36 Ų3675.4 Ų75.437%0.37140%0.401SS..Hα-helixtrans-62.2-39.5175.800000112.5A152 I153 Y154 L159 L160A152-G156 VanDerWaalsContact O-CA 3.25Å; A152-G156 WeakPolarHBondContact O-CA 3.25Å; A152-G156 PolarHBondContact O-N 3.27Å; I153-G156 PolarHBondContact O-N 3.38Å; Y154-G156 VanDerWaalsContact C-N 3.35Å; G156-L159 PolarHBondContact O-N 3.4Å; G156-L160 WeakPolarHBondContact O-CB 3.35Å; G156-L160 PolarHBondContact O-N 2.89Å
157T90.4Very high89.8Confident70 Ų7078.5 Ų78.543%0.42941%0.414SS..Hα-helixtrans-67.5-40.8175.2560000112.1I153 Y154 Y155 L159 L160 I161I153-T157 WeakPolarHBondContact O-CG2 3.3Å; I153-T157 PolarHBondContact O-N 3.04Å; I153-T157 PolarHBondContact O-OG1 3.38Å; Y154-T157 PolarHBondContact O-OG1 2.84Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 3.07Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.91Å; T157-L160 PolarHBondContact O-N 2.97Å; T157-I161 WeakPolarHBondContact O-CG1 3.47Å; T157-I161 PolarHBondContact O-N 3.03Å
158Y87.8Confident89.4Confident117 Ų11785.8 Ų85.846%0.45944%0.443SS..Hα-helixtrans-62.8-40.9172.9-73-69.5000112.4Y154 Y155 L160 I161 F162Y154-Y158 HydrophobicContact CD1-CD2 4.29Å; Y154-Y158 AromaticContact CD1-CE2 3.9Å; Y154-Y158 HydrophobicContact CD1-CE2 3.9Å; Y154-Y158 HydrophobicContact CD2-CE2 4.02Å; Y154-Y158 HydrophobicContact CE1-CD2 4.16Å; Y154-Y158 AromaticContact CE1-CE2 3.46Å; Y154-Y158 HydrophobicContact CE1-CE2 3.46Å; Y154-Y158 VanDerWaalsContact CE1-CE2 3.46Å; Y154-Y158 AromaticContact CE2-CE2 3.57Å; Y154-Y158 HydrophobicContact CE2-CE2 3.57Å; Y154-Y158 HydrophobicContact CG-CE2 4.18Å; Y154-Y158 AromaticContact CZ-CE2 3.29Å; Y154-Y158 AromaticContact CZ-CZ 3.84Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.23Å; Y154-Y158 PolarHBondContact O-N 2.88Å; Y154-Y158 PolarHBondContact OH-OH 3.48Å; Y155-Y158 PolarHBondContact O-N 3.24Å; Y158-L160 VanDerWaalsContact C-N 3.32Å; Y158-L160 PolarHBondContact O-N 3.35Å; Y158-I161 PolarHBondContact O-N 3.49Å; Y158-F162 VanDerWaalsContact O-CB 3.27Å; Y158-F162 WeakPolarHBondContact O-CB 3.46Å; Y158-F162 PolarHBondContact O-N 3.41Å
159L89.1Confident89Confident132 Ų13282.4 Ų82.469%0.69143%0.426SS*.Hα-helixtrans-66-36.4178.9-171.3138.8000111.5Y155 G156 T157 G163Y155-L159 WeakPolarHBondContact O-CB 3.48Å; Y155-L159 PolarHBondContact O-N 3.46Å; G156-L159 PolarHBondContact O-N 3.4Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.91Å; L159-G163 PolarHBondContact O-N 3.34Å
160L93Very high88.5Confident121 Ų12182.3 Ų82.363%0.63444%0.438SS*.Hα-helixtrans-62.7-50.9172.7-168.8171.8000110.8G156 T157 Y158 F162 G163 A164G156-L160 WeakPolarHBondContact O-CB 3.35Å; G156-L160 PolarHBondContact O-N 2.89Å; T157-L160 PolarHBondContact O-N 2.97Å; Y158-L160 VanDerWaalsContact C-N 3.32Å; Y158-L160 PolarHBondContact O-N 3.35Å; L160-F162 VanDerWaalsContact C-N 3.33Å; L160-F162 PolarHBondContact O-N 3.36Å; L160-G163 PolarHBondContact O-N 2.8Å; L160-A164 PolarHBondContact O-N 3.49Å
161I89.4Confident88.3Confident90 Ų9084.9 Ų84.946%0.46246%0.457SS..Hα-helixtrans-58.3-47.7178.8-67.3165.2000110.4T157 Y158 G163 A164 F165T157-I161 WeakPolarHBondContact O-CG1 3.47Å; T157-I161 PolarHBondContact O-N 3.03Å; Y158-I161 PolarHBondContact O-N 3.49Å; I161-G163 VanDerWaalsContact C-N 3.34Å; I161-G163 PolarHBondContact O-N 3.35Å; I161-A164 PolarHBondContact O-N 2.82Å; I161-F165 HydrophobicContact CG2-CD2 3.81Å; I161-F165 HydrophobicContact CG2-CE2 3.58Å; I161-F165 WeakPolarHBondContact O-CD2 3.27Å; I161-F165 PolarHBondContact O-N 2.83Å
162F85.8Confident87.8Confident91 Ų9186.4 Ų86.440%0.39947%0.466SS..Hα-helixtrans-62.4-41177.5-176.1-107.5000112.3Y158 L160 F165 L166 L182Y158-F162 VanDerWaalsContact O-CB 3.27Å; Y158-F162 WeakPolarHBondContact O-CB 3.46Å; Y158-F162 PolarHBondContact O-N 3.41Å; L160-F162 VanDerWaalsContact C-N 3.33Å; L160-F162 PolarHBondContact O-N 3.36Å; F162-F165 PolarHBondContact O-N 2.86Å; F162-L166 HydrophobicContact CD1-CD1 3.88Å; F162-L166 HydrophobicContact CD1-CG 4.33Å; F162-L166 HydrophobicContact CE1-CD1 3.51Å; F162-L166 HydrophobicContact CE1-CG 4.08Å; F162-L166 HydrophobicContact CZ-CD1 4.16Å; F162-L166 HydrophobicContact CZ-CG 4.35Å; F162-L166 PolarHBondContact O-N 3.49Å; F162-L182 HydrophobicContact CE1-CD1 4.36Å; F162-L182 HydrophobicContact CE2-CD1 4.26Å; F162-L182 HydrophobicContact CZ-CD1 3.54Å; F162-L182 HydrophobicContact CZ-CD2 4.38Å; F162-L182 HydrophobicContact CZ-CG 4.1Å
163G88.7Confident86.9Confident24 Ų2488.3 Ų88.325%0.24747%0.472CS..Hα-helixtrans-61.2-41.7174.100000112.6L159 L160 I161 L166 I167L159-G163 PolarHBondContact O-N 3.34Å; L160-G163 PolarHBondContact O-N 2.8Å; I161-G163 VanDerWaalsContact C-N 3.34Å; I161-G163 PolarHBondContact O-N 3.35Å; G163-L166 PolarHBondContact O-N 3.39Å; G163-I167 VanDerWaalsContact O-CG1 3.31Å; G163-I167 WeakPolarHBondContact O-CG1 3.46Å; G163-I167 PolarHBondContact O-N 3.13Å
164A89.4Confident86.1Confident54 Ų5491.2 Ų91.245%0.44648%0.483SS..Hα-helixtrans-63.2-41.5175.200000112L160 I161 I167 Y168L160-A164 PolarHBondContact O-N 3.49Å; I161-A164 PolarHBondContact O-N 2.82Å; A164-I167 PolarHBondContact O-N 3.14Å; A164-Y168 PolarHBondContact O-N 3.32Å
165F84.9Confident85.2Confident135 Ų13590.3 Ų90.359%0.59249%0.486SS*.Hα-helixtrans-63.5-41.1172.9-80.4-64.5000112.4I161 F162 Y168 V169I161-F165 HydrophobicContact CG2-CD2 3.81Å; I161-F165 HydrophobicContact CG2-CE2 3.58Å; I161-F165 WeakPolarHBondContact O-CD2 3.27Å; I161-F165 PolarHBondContact O-N 2.83Å; F162-F165 PolarHBondContact O-N 2.86Å; F165-Y168 WeakPolarHBondContact O-CB 3.39Å; F165-Y168 PolarHBondContact O-N 3.02Å; F165-V169 WeakPolarHBondContact O-CG2 3.42Å; F165-V169 PolarHBondContact O-N 3.48Å
166L83.6Confident84.3Confident55 Ų5594.8 Ų94.829%0.28851%0.509SS..Hα-helixtrans-62.9-41.6176-81.9-177.9000112.4F162 G163 V169 A170 L177 L182F162-L166 HydrophobicContact CD1-CD1 3.88Å; F162-L166 HydrophobicContact CD1-CG 4.33Å; F162-L166 HydrophobicContact CE1-CD1 3.51Å; F162-L166 HydrophobicContact CE1-CG 4.08Å; F162-L166 HydrophobicContact CZ-CD1 4.16Å; F162-L166 HydrophobicContact CZ-CG 4.35Å; F162-L166 PolarHBondContact O-N 3.49Å; G163-L166 PolarHBondContact O-N 3.39Å; L166-V169 PolarHBondContact O-N 3.08Å; L166-A170 VanDerWaalsContact O-CB 3.28Å; L166-A170 WeakPolarHBondContact O-CB 3.2Å; L166-A170 PolarHBondContact O-N 2.72Å; L166-L177 HydrophobicContact CD2-CD1 4.23Å; L166-L182 HydrophobicContact CD1-CD2 4.21Å; L166-L182 HydrophobicContact CD2-CD1 3.62Å; L166-L182 HydrophobicContact CD2-CD2 4.3Å
167I87.4Confident83.3Confident115 Ų11596.6 Ų96.659%0.5951%0.509SS*.Hα-helixtrans-62.2-45.6174.3-68164.6000110G163 A164 V169 A170 V171G163-I167 VanDerWaalsContact O-CG1 3.31Å; G163-I167 WeakPolarHBondContact O-CG1 3.46Å; G163-I167 PolarHBondContact O-N 3.13Å; A164-I167 PolarHBondContact O-N 3.14Å; I167-V169 VanDerWaalsContact C-N 3.31Å; I167-V169 PolarHBondContact O-N 3.28Å; I167-A170 PolarHBondContact O-N 3.46Å; I167-V171 HydrophobicContact CG2-CG2 4.28Å; I167-V171 WeakPolarHBondContact O-CB 3.45Å; I167-V171 VanDerWaalsContact O-CG2 3.25Å; I167-V171 WeakPolarHBondContact O-CG2 3.24Å; I167-V171 PolarHBondContact O-N 2.96Å
168Y85.3Confident82.7Confident154 Ų15499.1 Ų99.160%0.60452%0.516SS*.Hα-helixtrans-56.2-45.6175.7172.6-97.1000111.8A164 F165 N172A164-Y168 PolarHBondContact O-N 3.32Å; F165-Y168 WeakPolarHBondContact O-CB 3.39Å; F165-Y168 PolarHBondContact O-N 3.02Å; Y168-N172 WeakPolarHBondContact CE1-ND2 3.16Å; Y168-N172 PolarHBondContact O-N 3.33Å; Y168-N172 PolarHBondContact O-ND2 2.95Å
169V82.8Confident82.2Confident28 Ų28102.7 Ų102.717%0.1753%0.529CS..Hα-helixtrans-68.9-41.9178.5-179.90000111.7F165 L166 I167 V171 N172 L175 L177F165-V169 WeakPolarHBondContact O-CG2 3.42Å; F165-V169 PolarHBondContact O-N 3.48Å; L166-V169 PolarHBondContact O-N 3.08Å; I167-V169 VanDerWaalsContact C-N 3.31Å; I167-V169 PolarHBondContact O-N 3.28Å; V169-V171 VanDerWaalsContact C-N 3.27Å; V169-V171 PolarHBondContact O-N 3.14Å; V169-N172 PolarHBondContact O-N 2.97Å; V169-N172 VanDerWaalsContact O-N 3.09Å; V169-L175 HydrophobicContact CG1-CB 3.62Å; V169-L175 HydrophobicContact CG1-CD1 4.01Å; V169-L175 HydrophobicContact CG1-CG 4.46Å; V169-L177 HydrophobicContact CB-CD1 3.92Å; V169-L177 HydrophobicContact CG1-CD1 3.34Å; V169-L177 HydrophobicContact CG1-CG 3.7Å; V169-L177 HydrophobicContact CG2-CD1 4.34Å
170A81.4Confident81.5Confident83 Ų83101.4 Ų101.469%0.68652%0.523SS*.Hα-helixtrans-64.2-29.5-18000000113.5L166 I167L166-A170 VanDerWaalsContact O-CB 3.28Å; L166-A170 WeakPolarHBondContact O-CB 3.2Å; L166-A170 PolarHBondContact O-N 2.72Å; I167-A170 PolarHBondContact O-N 3.46Å
171V86.5Confident80.5Confident111 Ų11199.6 Ų99.667%0.67351%0.511SS*.Hα-helixtrans-78.7-20.5176.5173.60000112I167 V169 P173I167-V171 HydrophobicContact CG2-CG2 4.28Å; I167-V171 WeakPolarHBondContact O-CB 3.45Å; I167-V171 VanDerWaalsContact O-CG2 3.25Å; I167-V171 WeakPolarHBondContact O-CG2 3.24Å; I167-V171 PolarHBondContact O-N 2.96Å; V169-V171 VanDerWaalsContact C-N 3.27Å; V169-V171 PolarHBondContact O-N 3.14Å; V171-P173 VanDerWaalsContact O-CD 3.22Å; V171-P173 WeakPolarHBondContact O-CD 3.26Å
172N81.4Confident79.8Confident50 Ų5096.7 Ų96.727%0.26750%0.496SS..  trans-83.1109177.5-79.7-61.9000110.5Y168 V169 H174 L175Y168-N172 WeakPolarHBondContact CE1-ND2 3.16Å; Y168-N172 PolarHBondContact O-N 3.33Å; Y168-N172 PolarHBondContact O-ND2 2.95Å; V169-N172 PolarHBondContact O-N 2.97Å; V169-N172 VanDerWaalsContact O-N 3.09Å; N172-H174 PolarHBondContact O-N 2.92Å; N172-L175 HydrophobicContact CB-CD1 4.22Å; N172-L175 PolarHBondContact O-N 2.98Å; N172-L175 VanDerWaalsContact O-N 3.08Å
173P73.8Confident79.2Confident101 Ų10197.5 Ų97.566%0.65650%0.502SS*.THydrogen-bonded Turntrans-67.2-7-172.626.7-34.3000114.4V171V171-P173 VanDerWaalsContact O-CD 3.22Å; V171-P173 WeakPolarHBondContact O-CD 3.26Å
174H75.3Confident78.3Confident171 Ų17198.1 Ų98.179%0.79250%0.5SS*.THydrogen-bonded Turntrans-91.7-5.2177.2-59.1-58.4000113.9N172N172-H174 PolarHBondContact O-N 2.92Å
175L69.9Low77.5Confident90 Ų9098 Ų9847%0.47149%0.492SS..  trans-124.391.8-173.6-64.1172.4000111V169 N172V169-L175 HydrophobicContact CG1-CB 3.62Å; V169-L175 HydrophobicContact CG1-CD1 4.01Å; V169-L175 HydrophobicContact CG1-CG 4.46Å; N172-L175 HydrophobicContact CB-CD1 4.22Å; N172-L175 PolarHBondContact O-N 2.98Å; N172-L175 VanDerWaalsContact O-N 3.08Å
176H72.8Confident77Confident163 Ų16393.2 Ų93.276%0.75548%0.481SS*.  trans-87.8110.5170.1-64.8-60.4000109.9Q181H176-Q181 PolarHBondContact O-OE1 2.89Å
177L70.5Confident76.4Confident73 Ų7393.4 Ų93.438%0.38248%0.481SS..  trans-96.8118176.2-73.4177.7000111L166 V169 I185L166-L177 HydrophobicContact CD2-CD1 4.23Å; V169-L177 HydrophobicContact CB-CD1 3.92Å; V169-L177 HydrophobicContact CG1-CD1 3.34Å; V169-L177 HydrophobicContact CG1-CG 3.7Å; V169-L177 HydrophobicContact CG2-CD1 4.34Å; L177-I185 HydrophobicContact CD2-CD1 3.8Å
178E78.3Confident75.6Confident124 Ų12489.1 Ų89.158%0.57946%0.463SS*.  trans-82.6156.3167.6-67.7-170.4146.700111.7N180 Q181 L182E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.09Å; E178-Q181 HydrophobicContact CB-CG 4.22Å; E178-Q181 WeakPolarHBondContact O-CA 3.39Å; E178-Q181 WeakPolarHBondContact O-CB 3.39Å; E178-Q181 PolarHBondContact O-N 2.99Å; E178-L182 PolarHBondContact O-N 2.86Å
179W76.6Confident75.1Confident191 Ų19184.3 Ų84.372%0.72346%0.455SS*.Hα-helixtrans-55.3-38.9177.6179-104.6000113.4Q181 L182 Q183W179-Q181 VanDerWaalsContact C-N 3.31Å; W179-Q181 PolarHBondContact O-N 3.31Å; W179-L182 HydrophobicContact CE3-CD2 4.15Å; W179-L182 HydrophobicContact CZ3-CD2 4.07Å; W179-L182 WeakPolarHBondContact O-CB 3.49Å; W179-L182 PolarHBondContact O-N 3.43Å; W179-L182 VanDerWaalsContact O-N 3.17Å; W179-Q183 PolarHBondContact O-N 3.5Å
180N74.1Confident74.7Confident105 Ų10584.5 Ų84.556%0.56146%0.46SS*.Hα-helixtrans-65.2-36.4177.3-67.4-23000112.1E178 L182 T184E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.09Å; N180-L182 VanDerWaalsContact C-N 3.34Å; N180-T184 WeakPolarHBondContact O-CB 3.47Å; N180-T184 PolarHBondContact O-N 2.94Å; N180-T184 VanDerWaalsContact O-N 3.1Å; N180-T184 PolarHBondContact O-OG1 3.04Å
181Q72.7Confident74.3Confident84 Ų8481.3 Ų81.339%0.39343%0.431SS..Hα-helixtrans-70.6-34.7175.1-61.9173.1-8.500110.5H176 E178 W179 T184 I185H176-Q181 PolarHBondContact O-OE1 2.89Å; E178-Q181 HydrophobicContact CB-CG 4.22Å; E178-Q181 WeakPolarHBondContact O-CA 3.39Å; E178-Q181 WeakPolarHBondContact O-CB 3.39Å; E178-Q181 PolarHBondContact O-N 2.99Å; W179-Q181 VanDerWaalsContact C-N 3.31Å; W179-Q181 PolarHBondContact O-N 3.31Å; Q181-T184 VanDerWaalsContact O-CB 3.31Å; Q181-T184 WeakPolarHBondContact O-CB 3.44Å; Q181-T184 PolarHBondContact O-N 3.15Å; Q181-I185 WeakPolarHBondContact O-CD1 3.44Å; Q181-I185 WeakPolarHBondContact O-CG1 3.42Å; Q181-I185 PolarHBondContact O-N 3.21Å
182L74Confident73.8Confident28 Ų2878.2 Ų78.215%0.14741%0.412CS..Hα-helixtrans-66.9-45.1175.8-169.461.8000112.7F162 L166 E178 W179 N180 T184 I185 G186F162-L182 HydrophobicContact CE1-CD1 4.36Å; F162-L182 HydrophobicContact CE2-CD1 4.26Å; F162-L182 HydrophobicContact CZ-CD1 3.54Å; F162-L182 HydrophobicContact CZ-CD2 4.38Å; F162-L182 HydrophobicContact CZ-CG 4.1Å; L166-L182 HydrophobicContact CD1-CD2 4.21Å; L166-L182 HydrophobicContact CD2-CD1 3.62Å; L166-L182 HydrophobicContact CD2-CD2 4.3Å; E178-L182 PolarHBondContact O-N 2.86Å; W179-L182 HydrophobicContact CE3-CD2 4.15Å; W179-L182 HydrophobicContact CZ3-CD2 4.07Å; W179-L182 WeakPolarHBondContact O-CB 3.49Å; W179-L182 PolarHBondContact O-N 3.43Å; W179-L182 VanDerWaalsContact O-N 3.17Å; N180-L182 VanDerWaalsContact C-N 3.34Å; L182-T184 PolarHBondContact O-N 3.2Å; L182-I185 PolarHBondContact O-N 2.75Å; L182-G186 PolarHBondContact O-N 2.86Å
183Q74Confident73.6Confident109 Ų10982 Ų8251%0.50942%0.423SS..Hα-helixtrans-57.7-42.5173.7-179.5179-4.900110.8W179 G186 I187W179-Q183 PolarHBondContact O-N 3.5Å; Q183-G186 PolarHBondContact O-N 2.94Å; Q183-I187 HydrophobicContact CG-CD1 4.19Å; Q183-I187 WeakPolarHBondContact O-CG1 3.08Å; Q183-I187 PolarHBondContact O-N 3.27Å; Q183-I187 VanDerWaalsContact O-N 3.07Å
184T70.1Confident74Confident36 Ų3677.2 Ų77.222%0.22139%0.392CS..Hα-helixtrans-60.5-48.8176.1-66.30000112.2N180 Q181 L182 G186 I187 A188 V521N180-T184 WeakPolarHBondContact O-CB 3.47Å; N180-T184 PolarHBondContact O-N 2.94Å; N180-T184 VanDerWaalsContact O-N 3.1Å; N180-T184 PolarHBondContact O-OG1 3.04Å; Q181-T184 VanDerWaalsContact O-CB 3.31Å; Q181-T184 WeakPolarHBondContact O-CB 3.44Å; Q181-T184 PolarHBondContact O-N 3.15Å; L182-T184 PolarHBondContact O-N 3.2Å; T184-G186 VanDerWaalsContact C-N 3.27Å; T184-G186 PolarHBondContact O-N 2.94Å; T184-I187 PolarHBondContact O-N 3.28Å; T184-A188 WeakPolarHBondContact O-CB 3.17Å; T184-A188 PolarHBondContact O-N 3.43Å; T184-V521 HydrophobicContact CG2-CB 3.28Å; T184-V521 HydrophobicContact CG2-CG1 3.11Å; T184-V521 HydrophobicContact CG2-CG2 4.2Å
185I73.1Confident74.2Confident52 Ų5269.3 Ų69.327%0.26736%0.356SS..Hα-helixtrans-59.2-41.3178.1-71.4160.1000110.3L177 Q181 L182 A188 A189 L522L177-I185 HydrophobicContact CD2-CD1 3.8Å; Q181-I185 WeakPolarHBondContact O-CD1 3.44Å; Q181-I185 WeakPolarHBondContact O-CG1 3.42Å; Q181-I185 PolarHBondContact O-N 3.21Å; L182-I185 PolarHBondContact O-N 2.75Å; I185-A188 PolarHBondContact O-N 3.09Å; I185-A189 VanDerWaalsContact O-CB 3.25Å; I185-A189 WeakPolarHBondContact O-CB 3.42Å; I185-A189 PolarHBondContact O-N 3.49Å; I185-L522 HydrophobicContact CG1-CD1 4.14Å; I185-L522 HydrophobicContact CG1-CD2 4.36Å
186G72.9Confident74.8Confident35 Ų3569.6 Ų69.636%0.36135%0.354SS..Hα-helixtrans-61.4-45.3176.700000113.1L182 Q183 T184 A189 A190L182-G186 PolarHBondContact O-N 2.86Å; Q183-G186 PolarHBondContact O-N 2.94Å; T184-G186 VanDerWaalsContact C-N 3.27Å; T184-G186 PolarHBondContact O-N 2.94Å; G186-A189 PolarHBondContact O-N 2.92Å; G186-A190 WeakPolarHBondContact O-CB 3.36Å; G186-A190 PolarHBondContact O-N 3.39Å
187I72Confident75.4Confident59 Ų5963.3 Ų63.330%0.30333%0.325SS..Hα-helixtrans-64.7-44.6176.3-65.8166.8000110.4Q183 T184 A190 N191Q183-I187 HydrophobicContact CG-CD1 4.19Å; Q183-I187 WeakPolarHBondContact O-CG1 3.08Å; Q183-I187 PolarHBondContact O-N 3.27Å; Q183-I187 VanDerWaalsContact O-N 3.07Å; T184-I187 PolarHBondContact O-N 3.28Å; I187-A190 PolarHBondContact O-N 3.04Å; I187-N191 WeakPolarHBondContact O-CB 3.23Å; I187-N191 VanDerWaalsContact O-CG 3.29Å; I187-N191 PolarHBondContact O-N 2.85Å; I187-N191 PolarHBondContact O-ND2 3.09Å
188A71.3Confident76.2Confident24 Ų2459.9 Ų59.920%0.19831%0.307CS..Hα-helixtrans-62-45.8178.300000111.6T184 I185 A190 N191 T192 L522T184-A188 WeakPolarHBondContact O-CB 3.17Å; T184-A188 PolarHBondContact O-N 3.43Å; I185-A188 PolarHBondContact O-N 3.09Å; A188-A190 PolarHBondContact O-N 2.84Å; A188-N191 PolarHBondContact O-N 2.95Å; A188-T192 VanDerWaalsContact O-CG2 3.31Å; A188-T192 WeakPolarHBondContact O-CG2 3.34Å; A188-T192 PolarHBondContact O-N 2.89Å; A188-T192 PolarHBondContact O-OG1 3.44Å; A188-L522 HydrophobicContact CB-CD1 3.79Å
189A74.1Confident76.6Confident53 Ų5354.1 Ų54.144%0.43828%0.281SS..Hα-helixtrans-63.6-40.6178.200000112.8I185 G186 N191 T192 W193I185-A189 VanDerWaalsContact O-CB 3.25Å; I185-A189 WeakPolarHBondContact O-CB 3.42Å; I185-A189 PolarHBondContact O-N 3.49Å; G186-A189 PolarHBondContact O-N 2.92Å; A189-N191 VanDerWaalsContact C-N 3.33Å; A189-T192 WeakPolarHBondContact CA-OG1 3.2Å; A189-T192 PolarHBondContact O-N 3.39Å; A189-T192 PolarHBondContact O-OG1 2.93Å; A189-W193 PolarHBondContact O-N 3.13Å; A189-W193 VanDerWaalsContact O-N 3.14Å
190A74.2Confident77.1Confident33 Ų3348.3 Ų48.327%0.27326%0.263SS..Hα-helixtrans-63.4-41.117500000111.6W123 G186 I187 A188 G194W123-A190 HydrophobicContact CZ2-CB 4.49Å; G186-A190 WeakPolarHBondContact O-CB 3.36Å; G186-A190 PolarHBondContact O-N 3.39Å; I187-A190 PolarHBondContact O-N 3.04Å; A188-A190 PolarHBondContact O-N 2.84Å; A190-G194 PolarHBondContact O-N 2.97Å
191N73.6Confident77.8Confident15 Ų1544 Ų448%0.0824%0.24CC..Hα-helixtrans-70.7-40178.2-72.7-17.2000112.3I187 A188 A189 G194 L195I187-N191 WeakPolarHBondContact O-CB 3.23Å; I187-N191 VanDerWaalsContact O-CG 3.29Å; I187-N191 PolarHBondContact O-N 2.85Å; I187-N191 PolarHBondContact O-ND2 3.09Å; A188-N191 PolarHBondContact O-N 2.95Å; A189-N191 VanDerWaalsContact C-N 3.33Å; N191-G194 PolarHBondContact O-N 3.15Å; N191-L195 VanDerWaalsContact O-CB 3.26Å; N191-L195 WeakPolarHBondContact O-CB 3.32Å; N191-L195 PolarHBondContact O-N 2.86Å
192T74.4Confident78.6Confident46 Ų4640 Ų4028%0.28222%0.221SC..Hα-helixtrans-66-37.8178.353.90000112.2A188 A189 L195 F196 I525A188-T192 VanDerWaalsContact O-CG2 3.31Å; A188-T192 WeakPolarHBondContact O-CG2 3.34Å; A188-T192 PolarHBondContact O-N 2.89Å; A188-T192 PolarHBondContact O-OG1 3.44Å; A189-T192 WeakPolarHBondContact CA-OG1 3.2Å; A189-T192 PolarHBondContact O-N 3.39Å; A189-T192 PolarHBondContact O-OG1 2.93Å; T192-L195 PolarHBondContact O-N 3.26Å; T192-F196 WeakPolarHBondContact O-CB 3.45Å; T192-F196 PolarHBondContact O-N 2.9Å; T192-I525 HydrophobicContact CG2-CG2 4.04Å
193W78.3Confident79.4Confident129 Ų12938.6 Ų38.649%0.48921%0.214SC..Hα-helixtrans-62.5-46.2172.6175.2-114.5000112.2A189 L195 F196 L197A189-W193 PolarHBondContact O-N 3.13Å; A189-W193 VanDerWaalsContact O-N 3.14Å; W193-L195 PolarHBondContact O-N 3.31Å; W193-F196 HydrophobicContact CE3-CD1 4.2Å; W193-F196 AromaticContact CZ3-CD1 3.91Å; W193-F196 HydrophobicContact CZ3-CD1 3.91Å; W193-F196 HydrophobicContact CZ3-CE1 4.22Å; W193-F196 PolarHBondContact O-N 3.43Å; W193-L197 HydrophobicContact CH2-CD2 4.48Å; W193-L197 HydrophobicContact CZ2-CD1 4.15Å; W193-L197 HydrophobicContact CZ2-CD2 4.19Å; W193-L197 HydrophobicContact CZ2-CG 4.29Å; W193-L197 WeakPolarHBondContact O-CG 3.43Å; W193-L197 PolarHBondContact O-N 3.42Å; W193-L197 VanDerWaalsContact O-N 3.13Å
194G81.3Confident80.1Confident1 Ų137.7 Ų37.71%0.0121%0.207CC..Hα-helixtrans-60.2-38.3175.200000112.1A190 N191 L197 L198A190-G194 PolarHBondContact O-N 2.97Å; N191-G194 PolarHBondContact O-N 3.15Å; G194-L197 PolarHBondContact O-N 3.12Å; G194-L198 PolarHBondContact O-N 3.18Å
195L79.9Confident81.1Confident6 Ų636 Ų363%0.03120%0.196CC..Hα-helixtrans-71.7-39.6-179.6-167.751000112.5N191 T192 W193 L197 L198 V199 P487 M519 F529 Y533N191-L195 VanDerWaalsContact O-CB 3.26Å; N191-L195 WeakPolarHBondContact O-CB 3.32Å; N191-L195 PolarHBondContact O-N 2.86Å; T192-L195 PolarHBondContact O-N 3.26Å; W193-L195 PolarHBondContact O-N 3.31Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.08Å; L195-L198 HydrophobicContact CD1-CB 4.41Å; L195-L198 HydrophobicContact CD1-CD2 3.8Å; L195-L198 WeakPolarHBondContact O-CA 3.22Å; L195-L198 VanDerWaalsContact O-CB 3.29Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 3.33Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 2.96Å; L195-P487 HydrophobicContact CB-CB 3.91Å; L195-P487 HydrophobicContact CD1-CB 3.72Å; L195-P487 HydrophobicContact CG-CB 4.37Å; L195-M519 HydrophobicContact CD2-CE 3.17Å; L195-M519 HydrophobicContact CD2-SD 4.26Å; L195-F529 HydrophobicContact CD1-CE2 4.45Å; L195-F529 HydrophobicContact CD1-CZ 3.98Å; L195-F529 HydrophobicContact CD2-CD2 4.09Å; L195-F529 HydrophobicContact CD2-CE1 3.84Å; L195-F529 HydrophobicContact CD2-CE2 3.14Å; L195-F529 HydrophobicContact CD2-CZ 3.02Å; L195-F529 HydrophobicContact CG-CE2 3.53Å; L195-F529 HydrophobicContact CG-CZ 3.51Å; L195-Y533 HydrophobicContact CD1-CD2 4.37Å; L195-Y533 HydrophobicContact CD1-CE2 3.47Å; L195-Y533 VanDerWaalsContact CD1-CE2 3.47Å; L195-Y533 HydrophobicContact CG-CD2 4.29Å; L195-Y533 HydrophobicContact CG-CE2 3.81Å
196F82.7Confident82Confident96 Ų9633.7 Ų33.742%0.42119%0.185SC..Hα-helixtrans-56.7-46.6170.2173.2-103.3000111.4T192 W193 L198 V199 L200T192-F196 WeakPolarHBondContact O-CB 3.45Å; T192-F196 PolarHBondContact O-N 2.9Å; W193-F196 HydrophobicContact CE3-CD1 4.2Å; W193-F196 AromaticContact CZ3-CD1 3.91Å; W193-F196 HydrophobicContact CZ3-CD1 3.91Å; W193-F196 HydrophobicContact CZ3-CE1 4.22Å; W193-F196 PolarHBondContact O-N 3.43Å; F196-L198 VanDerWaalsContact C-N 3.31Å; F196-L198 PolarHBondContact O-N 2.92Å; F196-V199 PolarHBondContact O-N 2.89Å; F196-L200 HydrophobicContact CD1-CD1 4.09Å; F196-L200 HydrophobicContact CE1-CD1 3.48Å; F196-L200 VanDerWaalsContact CE1-CD1 3.48Å; F196-L200 HydrophobicContact CE1-CG 4.41Å; F196-L200 HydrophobicContact CE2-CD1 4.37Å; F196-L200 HydrophobicContact CZ-CD1 3.65Å; F196-L200 HydrophobicContact CZ-CG 4.27Å; F196-L200 PolarHBondContact O-N 3.35Å
197L85.1Confident83Confident31 Ų3133.2 Ų33.216%0.16217%0.174CC..Hα-helixtrans-62.9-38.1174.3-67.6175.5000112W193 G194 L195 L200 L201 L480 L484W193-L197 HydrophobicContact CH2-CD2 4.48Å; W193-L197 HydrophobicContact CZ2-CD1 4.15Å; W193-L197 HydrophobicContact CZ2-CD2 4.19Å; W193-L197 HydrophobicContact CZ2-CG 4.29Å; W193-L197 WeakPolarHBondContact O-CG 3.43Å; W193-L197 PolarHBondContact O-N 3.42Å; W193-L197 VanDerWaalsContact O-N 3.13Å; G194-L197 PolarHBondContact O-N 3.12Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.08Å; L197-L200 PolarHBondContact O-N 3.13Å; L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 2.87Å; L197-L480 HydrophobicContact CD1-CD1 4.25Å; L197-L484 HydrophobicContact CB-CD2 3.73Å
198L87.8Confident83.8Confident0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-58.7-46.9174.3-175.776.1000110.8G194 L195 F196 L200 L201 L202 V448 L484 P487 L488 N491G194-L198 PolarHBondContact O-N 3.18Å; L195-L198 HydrophobicContact CD1-CB 4.41Å; L195-L198 HydrophobicContact CD1-CD2 3.8Å; L195-L198 WeakPolarHBondContact O-CA 3.22Å; L195-L198 VanDerWaalsContact O-CB 3.29Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 3.33Å; L195-L198 VanDerWaalsContact O-N 3.1Å; F196-L198 VanDerWaalsContact C-N 3.31Å; F196-L198 PolarHBondContact O-N 2.92Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.47Å; L198-L201 PolarHBondContact O-N 3.47Å; L198-L202 WeakPolarHBondContact O-CB 3.21Å; L198-L202 PolarHBondContact O-N 3.43Å; L198-V448 HydrophobicContact CD1-CG1 4.17Å; L198-V448 HydrophobicContact CD1-CG2 3.6Å; L198-L484 HydrophobicContact CB-CD2 4.46Å; L198-P487 HydrophobicContact CB-CB 4.34Å; L198-P487 HydrophobicContact CB-CG 4.33Å; L198-P487 HydrophobicContact CD2-CB 4.1Å; L198-L488 HydrophobicContact CD1-CB 3.97Å; L198-L488 HydrophobicContact CD1-CD1 3.97Å; L198-N491 HydrophobicContact CD2-CB 3.69Å
199V86.6Confident84.8Confident4 Ų430.4 Ų30.42%0.02416%0.156CC..Hα-helixtrans-59.4-45.6179.6-174.80000111.8L195 F196 G203 Y533 L536 V537 L540L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 2.96Å; F196-V199 PolarHBondContact O-N 2.89Å; V199-G203 PolarHBondContact O-N 3.23Å; V199-Y533 HydrophobicContact CB-CE2 4.4Å; V199-Y533 HydrophobicContact CG2-CD2 3.26Å; V199-Y533 HydrophobicContact CG2-CE2 2.97Å; V199-Y533 HydrophobicContact CG2-CG 4.33Å; V199-L536 HydrophobicContact CB-CD2 4.2Å; V199-L536 HydrophobicContact CG1-CB 4.22Å; V199-L536 HydrophobicContact CG1-CD2 3.27Å; V199-L536 HydrophobicContact CG1-CG 4.28Å; V199-V537 HydrophobicContact CG1-CB 4.5Å; V199-V537 HydrophobicContact CG1-CG2 3.68Å; V199-L540 HydrophobicContact CG1-CD1 3.86Å
200L86.8Confident85.7Confident68 Ų6828.2 Ų28.236%0.35614%0.137SC..Hα-helixtrans-60-48.5178.8-69.1174.2000111.8F196 L197 L198 Y204 L540F196-L200 HydrophobicContact CD1-CD1 4.09Å; F196-L200 HydrophobicContact CE1-CD1 3.48Å; F196-L200 VanDerWaalsContact CE1-CD1 3.48Å; F196-L200 HydrophobicContact CE1-CG 4.41Å; F196-L200 HydrophobicContact CE2-CD1 4.37Å; F196-L200 HydrophobicContact CZ-CD1 3.65Å; F196-L200 HydrophobicContact CZ-CG 4.27Å; F196-L200 PolarHBondContact O-N 3.35Å; L197-L200 PolarHBondContact O-N 3.13Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.47Å; L200-Y204 PolarHBondContact O-N 3.48Å; L200-L540 HydrophobicContact CD2-CD1 3.82Å; L200-L540 HydrophobicContact CD2-CD2 4.26Å
201L89.4Confident86.5Confident14 Ų1428.6 Ų28.67%0.07313%0.132CC..Hα-helixtrans-73.2-38.4-176.7-64.6171.3000112.3L197 L198 G205 V448 T451 V452 I455 L484L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 VanDerWaalsContact O-CG 3.27Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 2.87Å; L198-L201 PolarHBondContact O-N 3.47Å; L201-G205 PolarHBondContact O-N 3.3Å; L201-V448 HydrophobicContact CB-CG1 4.38Å; L201-V448 HydrophobicContact CD1-CG1 4.35Å; L201-T451 HydrophobicContact CB-CG2 4.42Å; L201-T451 HydrophobicContact CD2-CG2 3.59Å; L201-V452 HydrophobicContact CD1-CG2 3.8Å; L201-I455 HydrophobicContact CD2-CD1 4.29Å; L201-L484 HydrophobicContact CD1-CD1 3.34Å; L201-L484 HydrophobicContact CD1-CD2 3.89Å; L201-L484 HydrophobicContact CD1-CG 4.26Å
202L90.1Very high87.3Confident0 Ų029.3 Ų29.30%014%0.138CC..Hα-helixtrans-68.5-47.3177.8-175.565.3000110.6L198 Y204 G205 L206 L444 C447 V448L198-L202 WeakPolarHBondContact O-CB 3.21Å; L198-L202 PolarHBondContact O-N 3.43Å; L202-Y204 VanDerWaalsContact C-N 3.29Å; L202-Y204 PolarHBondContact O-N 3.08Å; L202-G205 PolarHBondContact O-N 2.99Å; L202-G205 VanDerWaalsContact O-N 3.17Å; L202-L206 HydrophobicContact CD1-CD1 4.16Å; L202-L206 HydrophobicContact CD1-CD2 4.37Å; L202-L206 HydrophobicContact CD1-CG 4.04Å; L202-L206 HydrophobicContact CG-CD1 3.84Å; L202-L206 HydrophobicContact CG-CG 4.19Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.92Å; L202-L444 HydrophobicContact CD1-CD2 3.84Å; L202-L444 HydrophobicContact CD2-CD2 4.46Å; L202-C447 HydrophobicContact CD1-CB 3.99Å; L202-V448 HydrophobicContact CB-CG2 4.22Å; L202-V448 HydrophobicContact CD1-CG2 4.14Å
203G89Confident88.1Confident0 Ų030.6 Ų30.60%014%0.138CC..Hα-helixtrans-59.2-38.2177.900000113V199V199-G203 PolarHBondContact O-N 3.23Å
204Y89.8Confident88.9Confident90 Ų9030.1 Ų30.135%0.35314%0.136SC..Hα-helixtrans-69.5-50.2171.6179-93.5000112.1L200 L202 L206 V207 E208 T451 T544L200-Y204 PolarHBondContact O-N 3.48Å; L202-Y204 VanDerWaalsContact C-N 3.29Å; L202-Y204 PolarHBondContact O-N 3.08Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.85Å; Y204-V207 PolarHBondContact O-N 3.39Å; Y204-E208 HydrophobicContact CD1-CB 4.09Å; Y204-E208 HydrophobicContact CE1-CB 3.72Å; Y204-E208 HydrophobicContact CE1-CG 3.78Å; Y204-E208 HydrophobicContact CE2-CB 4.24Å; Y204-E208 HydrophobicContact CE2-CG 4.39Å; Y204-E208 WeakPolarHBondContact O-CB 3.06Å; Y204-E208 PolarHBondContact O-N 2.88Å; Y204-E208 WeakPolarHBondContact OH-CG 3.37Å; Y204-T451 HydrophobicContact CD1-CG2 3.38Å; Y204-T451 HydrophobicContact CE1-CG2 3.91Å; Y204-T451 HydrophobicContact CG-CG2 4.27Å; Y204-T544 HydrophobicContact CD2-CG2 3.76Å; Y204-T544 HydrophobicContact CE2-CG2 4.27Å; Y204-T544 HydrophobicContact CG-CG2 4.48Å
205G90.6Very high89.3Confident0 Ų030.9 Ų30.90%014%0.14CC..Hα-helixtrans-64.3-32.9-174.300000114.2L201 L202 V207 I209 T451L201-G205 PolarHBondContact O-N 3.3Å; L202-G205 PolarHBondContact O-N 2.99Å; L202-G205 VanDerWaalsContact O-N 3.17Å; G205-V207 PolarHBondContact O-N 3.49Å; G205-I209 VanDerWaalsContact O-CB 3.29Å; G205-I209 WeakPolarHBondContact O-CB 3.26Å; G205-I209 WeakPolarHBondContact O-CG1 3.36Å; G205-I209 PolarHBondContact O-N 2.89Å; G205-T451 WeakPolarHBondContact CA-OG1 3.48Å
206L92.8Very high89.8Confident4 Ų431.6 Ų31.62%0.02115%0.149CC..Hα-helixtrans-64-28.1177.2-73.9169.3000112.6L202 Y204 P210 S397 V400 V401 F443 V537L202-L206 HydrophobicContact CD1-CD1 4.16Å; L202-L206 HydrophobicContact CD1-CD2 4.37Å; L202-L206 HydrophobicContact CD1-CG 4.04Å; L202-L206 HydrophobicContact CG-CD1 3.84Å; L202-L206 HydrophobicContact CG-CG 4.19Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.92Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.85Å; L206-P210 WeakPolarHBondContact O-CD 3.41Å; L206-P210 WeakPolarHBondContact O-CG 3.23Å; L206-S397 VanDerWaalsContact O-CB 3.28Å; L206-S397 WeakPolarHBondContact O-CB 3.4Å; L206-S397 PolarHBondContact O-OG 3.49Å; L206-V400 HydrophobicContact CD1-CG1 4.01Å; L206-V400 HydrophobicContact CD2-CB 3.93Å; L206-V400 HydrophobicContact CD2-CG1 3.83Å; L206-V400 HydrophobicContact CD2-CG2 4.43Å; L206-V401 HydrophobicContact CD1-CG2 3.93Å; L206-F443 HydrophobicContact CD2-CE1 3.76Å; L206-F443 HydrophobicContact CD2-CZ 4.21Å; L206-V537 HydrophobicContact CD1-CG1 4.34Å
207V92.9Very high90.1Very high24 Ų2427.3 Ų27.315%0.14513%0.131CC..Hα-helixtrans-100.7-46.7-178.3179.50000111.7Y204 G205 I209 R211 C541 T544 Y545Y204-V207 PolarHBondContact O-N 3.39Å; G205-V207 PolarHBondContact O-N 3.49Å; V207-I209 PolarHBondContact O-N 3.19Å; V207-R211 VanDerWaalsContact O-CB 3.23Å; V207-R211 WeakPolarHBondContact O-CB 3.2Å; V207-R211 PolarHBondContact O-N 3.14Å; V207-C541 HydrophobicContact CG2-CB 3.94Å; V207-T544 HydrophobicContact CB-CG2 3.99Å; V207-T544 HydrophobicContact CG1-CG2 4.13Å; V207-Y545 HydrophobicContact CG1-CD2 4.13Å
208E89.2Confident90.3Very high20 Ų2030.4 Ų30.49%0.09314%0.144CC..Hα-helixtrans-70.8-32.7-173.2-175.860.2-155.400112.4Y204 S212Y204-E208 HydrophobicContact CD1-CB 4.09Å; Y204-E208 HydrophobicContact CE1-CB 3.72Å; Y204-E208 HydrophobicContact CE1-CG 3.78Å; Y204-E208 HydrophobicContact CE2-CB 4.24Å; Y204-E208 HydrophobicContact CE2-CG 4.39Å; Y204-E208 WeakPolarHBondContact O-CB 3.06Å; Y204-E208 PolarHBondContact O-N 2.88Å; Y204-E208 WeakPolarHBondContact OH-CG 3.37Å; E208-S212 WeakPolarHBondContact O-CB 3.37Å; E208-S212 PolarHBondContact O-N 3.3Å
209I91.9Very high90.2Very high5 Ų539 Ų393%0.02618%0.176CC..Hα-helixtrans-66.8-54.6-177.7-63.1-64.6000111.7G205 V207 R211 S212 Y213 L393 S450G205-I209 VanDerWaalsContact O-CB 3.29Å; G205-I209 WeakPolarHBondContact O-CB 3.26Å; G205-I209 WeakPolarHBondContact O-CG1 3.36Å; G205-I209 PolarHBondContact O-N 2.89Å; V207-I209 PolarHBondContact O-N 3.19Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.4Å; I209-S212 PolarHBondContact O-N 3.12Å; I209-Y213 HydrophobicContact CG2-CD2 4.22Å; I209-Y213 HydrophobicContact CG2-CE2 4.01Å; I209-Y213 VanDerWaalsContact O-CD2 3.26Å; I209-Y213 WeakPolarHBondContact O-CD2 3.26Å; I209-Y213 PolarHBondContact O-N 3.34Å; I209-L393 HydrophobicContact CG2-CD1 4.2Å; I209-S450 WeakPolarHBondContact CD1-OG 3.4Å
210P94.1Very high90.2Very high7 Ų740.5 Ų40.55%0.04519%0.193CC..Hα-helixtrans-59.8-42.1174.1-19.329.3000112.8L206 S212 Y213 W214 L393 S394 S397L206-P210 WeakPolarHBondContact O-CD 3.41Å; L206-P210 WeakPolarHBondContact O-CG 3.23Å; P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 3.12Å; P210-Y213 PolarHBondContact O-N 3.39Å; P210-W214 WeakPolarHBondContact O-CB 3.45Å; P210-W214 PolarHBondContact O-N 2.68Å; P210-L393 HydrophobicContact CB-CB 4.24Å; P210-L393 HydrophobicContact CG-CB 4.02Å; P210-S394 VanDerWaalsContact CB-OG 3.22Å; P210-S394 WeakPolarHBondContact CB-OG 3.45Å; P210-S397 WeakPolarHBondContact CG-OG 3.43Å
211R91Very high90.4Very high40 Ų4039.4 Ų39.415%0.15118%0.184CC..Hα-helixtrans-57.7-44.5176.4176.5-176.2-64.7-169.3-2.9112V207 I209 Y213 W214 N215 T544 Y545 S547 D565V207-R211 VanDerWaalsContact O-CB 3.23Å; V207-R211 WeakPolarHBondContact O-CB 3.2Å; V207-R211 PolarHBondContact O-N 3.14Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.4Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; R211-Y213 PolarHBondContact O-N 3.21Å; R211-W214 PolarHBondContact O-N 3.17Å; R211-N215 VanDerWaalsContact O-CB 3.31Å; R211-N215 WeakPolarHBondContact O-CB 3.39Å; R211-N215 PolarHBondContact O-N 3.19Å; R211-T544 PolarHBondContact NH1-O 3.32Å; R211-Y545 VanDerWaalsContact NH2-C 3.35Å; R211-Y545 PolarHBondContact NH2-O 2.98Å; R211-S547 PolarHBondContact NH1-OG 3.22Å; R211-S547 VanDerWaalsContact NH1-OG 3.15Å; R211-D565 IonicContact CZ-OD2 3.8Å; R211-D565 IonicContact NH1-OD2 2.88Å; R211-D565 PolarHBondContact NH1-OD2 3.19Å
212S89.1Confident90.3Very high30 Ų3040.9 Ų40.921%0.2119%0.192CC..Hα-helixtrans-62.1-40.9-178.8174.30000111.6E208 I209 P210 G216 R454E208-S212 WeakPolarHBondContact O-CB 3.37Å; E208-S212 PolarHBondContact O-N 3.3Å; I209-S212 PolarHBondContact O-N 3.12Å; P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 3.12Å; S212-G216 PolarHBondContact O-N 2.89Å; S212-R454 PolarHBondContact OG-NH1 2.88Å
213Y92.3Very high90.4Very high73 Ų7342.1 Ų42.129%0.28620%0.198SC..Hα-helixtrans-71.6-40.1174.7-75.9-74.3000112.1I209 P210 R211 G216 A217 Y386 L389 L393I209-Y213 HydrophobicContact CG2-CD2 4.22Å; I209-Y213 HydrophobicContact CG2-CE2 4.01Å; I209-Y213 VanDerWaalsContact O-CD2 3.26Å; I209-Y213 WeakPolarHBondContact O-CD2 3.26Å; I209-Y213 PolarHBondContact O-N 3.34Å; P210-Y213 PolarHBondContact O-N 3.39Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; R211-Y213 PolarHBondContact O-N 3.21Å; Y213-G216 PolarHBondContact O-N 2.97Å; Y213-A217 PolarHBondContact O-N 2.71Å; Y213-Y386 HydrophobicContact CD1-CD1 4.32Å; Y213-Y386 HydrophobicContact CD1-CG 4.35Å; Y213-L389 HydrophobicContact CD1-CD2 3.93Å; Y213-L389 HydrophobicContact CE1-CD2 3.79Å; Y213-L389 HydrophobicContact CG-CD2 4.36Å; Y213-L393 HydrophobicContact CD2-CD1 3.63Å; Y213-L393 HydrophobicContact CE2-CD1 3.84Å; Y213-L393 HydrophobicContact CG-CD1 4.48Å
214W94.3Very high90.5Very high120 Ų12046.9 Ų46.946%0.45522%0.222SC..Hα-helixtrans-61.4-48.5176.6-175.8-98.8000112.1P210 R211 G216 A217 K218 A390 V391P210-W214 WeakPolarHBondContact O-CB 3.45Å; P210-W214 PolarHBondContact O-N 2.68Å; R211-W214 PolarHBondContact O-N 3.17Å; W214-G216 VanDerWaalsContact C-N 3.34Å; W214-A217 WeakPolarHBondContact O-CB 3.47Å; W214-A217 PolarHBondContact O-N 3.41Å; W214-K218 PolarHBondContact O-N 3.04Å; W214-A390 HydrophobicContact CB-CB 3.95Å; W214-A390 HydrophobicContact CE3-CB 4.13Å; W214-V391 HydrophobicContact CZ3-CG2 4.05Å
215N90.9Very high90.5Very high16 Ų1643.8 Ų43.89%0.08621%0.21CC..Hα-helixtrans-67.3-36.5176.8-76.5-16.2000111.5R211 A217 K218 Y221R211-N215 VanDerWaalsContact O-CB 3.31Å; R211-N215 WeakPolarHBondContact O-CB 3.39Å; R211-N215 PolarHBondContact O-N 3.19Å; N215-A217 PolarHBondContact O-N 3.27Å; N215-K218 WeakPolarHBondContact O-CB 3.25Å; N215-K218 PolarHBondContact O-N 3.48Å; N215-K218 VanDerWaalsContact O-N 3.11Å; N215-K218 WeakPolarHBondContact OD1-CE 3.48Å; N215-K218 PolarHBondContact OD1-NZ 3.26Å; N215-Y221 HydrophobicContact CB-CD1 3.84Å; N215-Y221 HydrophobicContact CB-CE1 3.52Å; N215-Y221 HydrophobicContact CB-CE2 4.44Å; N215-Y221 HydrophobicContact CB-CG 4.44Å; N215-Y221 WeakPolarHBondContact O-CD1 3.49Å
216G89.3Confident90.5Very high22 Ų2244 Ų4423%0.22721%0.211CC..Hα-helixtrans-62.6-23.1172.700000114S212 Y213 W214S212-G216 PolarHBondContact O-N 2.89Å; Y213-G216 PolarHBondContact O-N 2.97Å; W214-G216 VanDerWaalsContact C-N 3.34Å
217A90.3Very high90.6Very high5 Ų544.4 Ų44.44%0.04121%0.213CC..THydrogen-bonded Turntrans-86.1-12.7175.100000114.2Y213 W214 N215 P383 K387Y213-A217 PolarHBondContact O-N 2.71Å; W214-A217 WeakPolarHBondContact O-CB 3.47Å; W214-A217 PolarHBondContact O-N 3.41Å; N215-A217 PolarHBondContact O-N 3.27Å; A217-P383 WeakPolarHBondContact CB-O 3.05Å; A217-K387 HydrophobicContact CB-CG 3.63Å
218K89.3Confident90.5Very high97 Ų9743.3 Ų43.342%0.42221%0.206SC..SBendtrans-72.8128.9175.9-69.2175.7-179.6165.80109.3W214 N215 G220 Y221W214-K218 PolarHBondContact O-N 3.04Å; N215-K218 WeakPolarHBondContact O-CB 3.25Å; N215-K218 PolarHBondContact O-N 3.48Å; N215-K218 VanDerWaalsContact O-N 3.11Å; N215-K218 WeakPolarHBondContact OD1-CE 3.48Å; N215-K218 PolarHBondContact OD1-NZ 3.26Å; K218-G220 PolarHBondContact O-N 2.9Å; K218-Y221 PolarHBondContact O-N 2.94Å
219R85Confident90.5Very high179 Ų17946 Ų4668%0.67522%0.217SC*.THydrogen-bonded Turntrans-59135176.7-67.6171.3177-158.75.7109.9Y221 E344R219-Y221 PolarHBondContact O-N 3.41Å; R219-E344 WeakPolarHBondContact CD-OE1 3.43Å; R219-E344 IonicContact CZ-OE1 2.7Å; R219-E344 IonicContact NE-OE1 3.77Å; R219-E344 PolarHBondContact NE-OE1 3.17Å; R219-E344 IonicContact NH1-OE1 2.98Å; R219-E344 PolarHBondContact NH1-OE1 2.9Å; R219-E344 IonicContact NH2-OE1 2.87Å
220G86.4Confident90.5Very high37 Ų3745.8 Ų45.838%0.38122%0.216SC..THydrogen-bonded Turntrans70.8-19.618000000116.6K218 L222 L223 M224K218-G220 PolarHBondContact O-N 2.9Å; G220-L222 PolarHBondContact O-N 3Å; G220-L223 WeakPolarHBondContact O-CB 3.49Å; G220-L223 PolarHBondContact O-N 3.44Å; G220-M224 WeakPolarHBondContact O-CG 3.22Å; G220-M224 PolarHBondContact O-N 3.44Å
221Y90.1Very high90.4Very high45 Ų4545.5 Ų45.518%0.17621%0.214CC..Hα-helixtrans-60.1-46.7-178.5175.7-90.4000111.8N215 K218 R219 L223 M224 K225N215-Y221 HydrophobicContact CB-CD1 3.84Å; N215-Y221 HydrophobicContact CB-CE1 3.52Å; N215-Y221 HydrophobicContact CB-CE2 4.44Å; N215-Y221 HydrophobicContact CB-CG 4.44Å; N215-Y221 WeakPolarHBondContact O-CD1 3.49Å; K218-Y221 PolarHBondContact O-N 2.94Å; R219-Y221 PolarHBondContact O-N 3.41Å; Y221-L223 VanDerWaalsContact C-N 3.27Å; Y221-L223 PolarHBondContact O-N 3.28Å; Y221-M224 PolarHBondContact O-N 3.39Å; Y221-K225 HydrophobicContact CE1-CB 4.38Å; Y221-K225 HydrophobicContact CE1-CD 3.72Å; Y221-K225 VanDerWaalsContact O-CB 3.29Å; Y221-K225 WeakPolarHBondContact O-CB 3.45Å; Y221-K225 PolarHBondContact O-N 2.89Å
222L89.3Confident90.2Very high45 Ų4546.1 Ų46.124%0.23622%0.218CC..Hα-helixtrans-63.5-35.7-179.9-170.162.1000111.8G220 T226 L337G220-L222 PolarHBondContact O-N 3Å; L222-T226 WeakPolarHBondContact O-CB 3.48Å; L222-T226 PolarHBondContact O-N 3.2Å; L222-T226 PolarHBondContact O-OG1 3.46Å; L222-L337 HydrophobicContact CB-CD1 4.39Å; L222-L337 HydrophobicContact CB-CD2 4.48Å; L222-L337 HydrophobicContact CD2-CD1 4.1Å; L222-L337 HydrophobicContact CD2-CD2 3.69Å; L222-L337 HydrophobicContact CG-CD1 3.75Å; L222-L337 HydrophobicContact CG-CD2 4.13Å
223L91.9Very high90.2Very high26 Ų2645.4 Ų45.414%0.13621%0.212CC..Hα-helixtrans-66.1-48.7176.2178.958.8000111.4G220 Y221 K225 T226 Y227 L337 E338 A341G220-L223 WeakPolarHBondContact O-CB 3.49Å; G220-L223 PolarHBondContact O-N 3.44Å; Y221-L223 VanDerWaalsContact C-N 3.27Å; Y221-L223 PolarHBondContact O-N 3.28Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 2.87Å; L223-T226 WeakPolarHBondContact O-CB 3.35Å; L223-T226 PolarHBondContact O-N 3.14Å; L223-Y227 HydrophobicContact CD1-CE1 4.08Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 WeakPolarHBondContact CD1-OH 3.49Å; L223-Y227 HydrophobicContact CD2-CE2 4.2Å; L223-Y227 HydrophobicContact CG-CD2 4.36Å; L223-Y227 HydrophobicContact CG-CE2 3.63Å; L223-Y227 WeakPolarHBondContact O-CD2 3.49Å; L223-Y227 PolarHBondContact O-N 2.88Å; L223-L337 HydrophobicContact CB-CB 4.29Å; L223-L337 HydrophobicContact CD1-CB 3.8Å; L223-E338 HydrophobicContact CD1-CG 4Å; L223-A341 HydrophobicContact CD2-CB 4.15Å
224M90.8Very high90.2Very high99 Ų9944 Ų4449%0.48821%0.208SC..Hα-helixtrans-62-42.6177.1-63.3179.617800111.8G220 Y221 T226 Y227 F228 M567 V572G220-M224 WeakPolarHBondContact O-CG 3.22Å; G220-M224 PolarHBondContact O-N 3.44Å; Y221-M224 PolarHBondContact O-N 3.39Å; M224-T226 VanDerWaalsContact C-N 3.28Å; M224-T226 PolarHBondContact O-N 2.85Å; M224-Y227 WeakPolarHBondContact O-CB 3.24Å; M224-Y227 PolarHBondContact O-N 2.97Å; M224-Y227 VanDerWaalsContact O-N 3.13Å; M224-F228 PolarHBondContact O-N 3.15Å; M224-M567 HydrophobicContact CB-CE 3.34Å; M224-M567 HydrophobicContact CB-SD 3.77Å; M224-M567 HydrophobicContact CG-CE 4.21Å; M224-M567 VanDerWaalsContact O-SD 3.34Å; M224-M567 HydrophobicContact SD-CE 3.93Å; M224-V572 HydrophobicContact CB-CG1 4.5Å
225K89.8Confident90Very high26 Ų2641.9 Ų41.911%0.11321%0.209CC..Hα-helixtrans-59.2-38.6174.8178.9167.8178.7150.50112.1Y221 L223 K229 D564Y221-K225 HydrophobicContact CE1-CB 4.38Å; Y221-K225 HydrophobicContact CE1-CD 3.72Å; Y221-K225 VanDerWaalsContact O-CB 3.29Å; Y221-K225 WeakPolarHBondContact O-CB 3.45Å; Y221-K225 PolarHBondContact O-N 2.89Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 2.87Å; K225-K229 HydrophobicContact CG-CD 4.5Å; K225-K229 WeakPolarHBondContact O-CG 3.45Å; K225-K229 PolarHBondContact O-N 3.25Å; K225-D564 VanDerWaalsContact CE-CG 3.47Å; K225-D564 WeakPolarHBondContact CE-OD2 3.28Å; K225-D564 IonicContact NZ-OD2 3.66Å; K225-D564 PolarHBondContact NZ-OD2 2.99Å
226T91.1Very high89.9Confident3 Ų343.1 Ų43.12%0.01821%0.214CC..Hα-helixtrans-65.6-42.2174.5-64.20000111.6L222 L223 M224 K229 A230 L330 A334 L337L222-T226 WeakPolarHBondContact O-CB 3.48Å; L222-T226 PolarHBondContact O-N 3.2Å; L222-T226 PolarHBondContact O-OG1 3.46Å; L223-T226 WeakPolarHBondContact O-CB 3.35Å; L223-T226 PolarHBondContact O-N 3.14Å; M224-T226 VanDerWaalsContact C-N 3.28Å; M224-T226 PolarHBondContact O-N 2.85Å; T226-K229 PolarHBondContact O-N 2.93Å; T226-A230 WeakPolarHBondContact O-CB 3.47Å; T226-A230 PolarHBondContact O-N 3.46Å; T226-L330 HydrophobicContact CG2-CD1 3.84Å; T226-L330 HydrophobicContact CG2-CG 4.22Å; T226-A334 HydrophobicContact CG2-CB 3.67Å; T226-L337 WeakPolarHBondContact OG1-CD1 3.36Å
227Y93.4Very high90Very high14 Ų1443.9 Ų43.96%0.05521%0.211CC..Hα-helixtrans-60.7-46.3174.2-65-41.5000112.3L223 M224 K229 A230 A231 E338 V572 G575 K576 I579L223-Y227 HydrophobicContact CD1-CE1 4.08Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 WeakPolarHBondContact CD1-OH 3.49Å; L223-Y227 HydrophobicContact CD2-CE2 4.2Å; L223-Y227 HydrophobicContact CG-CD2 4.36Å; L223-Y227 HydrophobicContact CG-CE2 3.63Å; L223-Y227 WeakPolarHBondContact O-CD2 3.49Å; L223-Y227 PolarHBondContact O-N 2.88Å; M224-Y227 WeakPolarHBondContact O-CB 3.24Å; M224-Y227 PolarHBondContact O-N 2.97Å; M224-Y227 VanDerWaalsContact O-N 3.13Å; Y227-K229 VanDerWaalsContact C-N 3.31Å; Y227-K229 PolarHBondContact O-N 2.93Å; Y227-A230 WeakPolarHBondContact O-CA 3.36Å; Y227-A230 VanDerWaalsContact O-CB 3.32Å; Y227-A230 WeakPolarHBondContact O-CB 3.45Å; Y227-A230 PolarHBondContact O-N 2.94Å; Y227-A231 PolarHBondContact O-N 2.87Å; Y227-A231 VanDerWaalsContact O-N 3.1Å; Y227-E338 WeakPolarHBondContact OH-CG 3.19Å; Y227-E338 PolarHBondContact OH-OE1 3.43Å; Y227-V572 HydrophobicContact CD2-CG1 4.25Å; Y227-G575 WeakPolarHBondContact O-CA 3.48Å; Y227-K576 HydrophobicContact CD1-CB 4.21Å; Y227-K576 HydrophobicContact CD2-CB 4.17Å; Y227-K576 HydrophobicContact CD2-CG 4.42Å; Y227-K576 HydrophobicContact CE1-CB 4.35Å; Y227-K576 HydrophobicContact CE1-CG 4.28Å; Y227-K576 HydrophobicContact CE2-CB 4.32Å; Y227-K576 HydrophobicContact CE2-CD 4.45Å; Y227-K576 HydrophobicContact CE2-CG 4.07Å; Y227-K576 HydrophobicContact CG-CB 4.14Å; Y227-I579 HydrophobicContact CD1-CB 4.36Å; Y227-I579 HydrophobicContact CD1-CG1 3.79Å; Y227-I579 HydrophobicContact CE1-CB 4.1Å; Y227-I579 HydrophobicContact CE1-CG1 3.95Å; Y227-I579 HydrophobicContact CE1-CG2 4.25Å
228F90.4Very high90.2Very high1 Ų146.1 Ų46.10%0.00423%0.23CC..Hα-helixtrans-58.3-43.8175.9177.9-103.8000112.5M224 A230 A231 K232 M567 L571 V572M224-F228 PolarHBondContact O-N 3.15Å; F228-A230 VanDerWaalsContact C-N 3.26Å; F228-A230 PolarHBondContact O-N 3.13Å; F228-A231 PolarHBondContact O-N 3.35Å; F228-K232 HydrophobicContact CD1-CD 4.38Å; F228-K232 HydrophobicContact CE1-CD 3.88Å; F228-K232 VanDerWaalsContact CE1-NZ 3.28Å; F228-K232 HydrophobicContact CZ-CD 4.16Å; F228-K232 PolarHBondContact O-N 3.41Å; F228-M567 HydrophobicContact CB-CG 3.78Å; F228-M567 HydrophobicContact CB-SD 3.82Å; F228-M567 HydrophobicContact CD2-CB 4.37Å; F228-M567 HydrophobicContact CD2-CG 3.74Å; F228-M567 HydrophobicContact CE2-CG 4.4Å; F228-M567 HydrophobicContact CG-CG 3.85Å; F228-M567 HydrophobicContact CG-SD 4.45Å; F228-L571 HydrophobicContact CD2-CB 3.7Å; F228-L571 HydrophobicContact CD2-CD1 4.1Å; F228-L571 HydrophobicContact CE2-CB 4.01Å; F228-L571 HydrophobicContact CE2-CD1 3.56Å; F228-L571 HydrophobicContact CE2-CG 4.44Å; F228-L571 HydrophobicContact CZ-CD1 4.39Å; F228-V572 HydrophobicContact CB-CG2 4.07Å
229K89.1Confident90.3Very high76 Ų7645 Ų4533%0.3323%0.229SC..Hα-helixtrans-65.2-31.4174.8-74.1-176.6-177.8-167.20112.4K225 T226 Y227 L233 L330 D564K225-K229 HydrophobicContact CG-CD 4.5Å; K225-K229 WeakPolarHBondContact O-CG 3.45Å; K225-K229 PolarHBondContact O-N 3.25Å; T226-K229 PolarHBondContact O-N 2.93Å; Y227-K229 VanDerWaalsContact C-N 3.31Å; Y227-K229 PolarHBondContact O-N 2.93Å; K229-L233 WeakPolarHBondContact O-CB 3.31Å; K229-L233 PolarHBondContact O-N 3.46Å; K229-L330 HydrophobicContact CB-CD1 4.28Å; K229-L330 HydrophobicContact CB-CD2 4.15Å; K229-D564 WeakPolarHBondContact CE-OD1 3.49Å; K229-D564 VanDerWaalsContact CE-OD2 3.24Å; K229-D564 WeakPolarHBondContact CE-OD2 3.42Å; K229-D564 IonicContact NZ-OD1 3.95Å; K229-D564 IonicContact NZ-OD2 2.75Å; K229-D564 PolarHBondContact NZ-OD2 3.34Å
230A92.9Very high90.7Very high0 Ų036.7 Ų36.70%020%0.198CC..Hα-helixtrans-66.4-45178.500000111.1T226 Y227 F228 L233 M234 W327 L330 I579T226-A230 WeakPolarHBondContact O-CB 3.47Å; T226-A230 PolarHBondContact O-N 3.46Å; Y227-A230 WeakPolarHBondContact O-CA 3.36Å; Y227-A230 VanDerWaalsContact O-CB 3.32Å; Y227-A230 WeakPolarHBondContact O-CB 3.45Å; Y227-A230 PolarHBondContact O-N 2.94Å; F228-A230 VanDerWaalsContact C-N 3.26Å; F228-A230 PolarHBondContact O-N 3.13Å; A230-L233 PolarHBondContact O-N 2.9Å; A230-M234 WeakPolarHBondContact O-CG 3.17Å; A230-M234 PolarHBondContact O-N 2.97Å; A230-W327 HydrophobicContact CB-CH2 4.3Å; A230-W327 HydrophobicContact CB-CZ3 3.94Å; A230-W327 WeakPolarHBondContact O-CZ3 3.33Å; A230-L330 VanDerWaalsContact CA-CD2 3.46Å; A230-L330 HydrophobicContact CB-CD2 3.91Å; A230-I579 HydrophobicContact CB-CD1 3.97Å; A230-I579 HydrophobicContact CB-CG1 4.3Å
231A91.5Very high91Very high1 Ų138.8 Ų38.81%0.00820%0.197CC..Hα-helixtrans-58-51.6174.800000111.5Y227 F228 L233 M234 T235 L571Y227-A231 PolarHBondContact O-N 2.87Å; Y227-A231 VanDerWaalsContact O-N 3.1Å; F228-A231 PolarHBondContact O-N 3.35Å; A231-L233 PolarHBondContact O-N 3.39Å; A231-M234 PolarHBondContact O-N 2.98Å; A231-T235 PolarHBondContact O-N 3.01Å; A231-T235 PolarHBondContact O-OG1 2.88Å; A231-L571 HydrophobicContact CB-CB 4.4Å; A231-L571 HydrophobicContact CB-CD2 4.07Å; A231-L571 WeakPolarHBondContact CB-O 3.28Å
232K87.7Confident91.2Very high54 Ų5442.1 Ų42.124%0.23522%0.215CC..Hα-helixtrans-60.6-43.3178.8-69.8-173171.9-173.20113.7F228 M234 T235 E236 M562F228-K232 HydrophobicContact CD1-CD 4.38Å; F228-K232 HydrophobicContact CE1-CD 3.88Å; F228-K232 VanDerWaalsContact CE1-NZ 3.28Å; F228-K232 HydrophobicContact CZ-CD 4.16Å; F228-K232 PolarHBondContact O-N 3.41Å; K232-M234 VanDerWaalsContact C-N 3.28Å; K232-M234 PolarHBondContact O-N 3.12Å; K232-T235 PolarHBondContact O-N 3.47Å; K232-E236 PolarHBondContact O-N 3.26Å; K232-E236 VanDerWaalsContact O-N 3.11Å; K232-M562 PolarHBondContact NZ-O 2.94Å
233L89.5Confident91.4Very high14 Ų1444.1 Ų44.17%0.07323%0.226CC..Hα-helixtrans-69-29.9-179.5-176.660.8000111.6K229 A230 A231 E236 K237 Q326 W327 L330K229-L233 WeakPolarHBondContact O-CB 3.31Å; K229-L233 PolarHBondContact O-N 3.46Å; A230-L233 PolarHBondContact O-N 2.9Å; A231-L233 PolarHBondContact O-N 3.39Å; L233-E236 PolarHBondContact O-N 2.78Å; L233-K237 WeakPolarHBondContact O-CB 3.41Å; L233-K237 PolarHBondContact O-N 2.75Å; L233-Q326 HydrophobicContact CD1-CB 4.21Å; L233-Q326 HydrophobicContact CD2-CB 3.84Å; L233-W327 HydrophobicContact CD2-CB 4.46Å; L233-W327 HydrophobicContact CD2-CE3 4.22Å; L233-W327 HydrophobicContact CG-CE3 4.37Å; L233-L330 HydrophobicContact CB-CD2 4.24Å; L233-L330 HydrophobicContact CD2-CB 4.23Å; L233-L330 HydrophobicContact CD2-CD2 3.73Å
234M91.6Very high91.6Very high44 Ų4443 Ų4322%0.21722%0.22CC..Hα-helixtrans-65.8-41.8174-79.2-58.9-73.100112.2A230 A231 K232 K237 A238 W327 L578A230-M234 WeakPolarHBondContact O-CG 3.17Å; A230-M234 PolarHBondContact O-N 2.97Å; A231-M234 PolarHBondContact O-N 2.98Å; K232-M234 VanDerWaalsContact C-N 3.28Å; K232-M234 PolarHBondContact O-N 3.12Å; M234-K237 PolarHBondContact O-N 3.02Å; M234-K237 HydrophobicContact SD-CD 4.11Å; M234-A238 PolarHBondContact O-N 3.37Å; M234-W327 HydrophobicContact CE-CZ2 4.3Å; M234-W327 HydrophobicContact CG-CD2 4.46Å; M234-W327 HydrophobicContact CG-CE3 3.86Å; M234-W327 HydrophobicContact CG-CH2 3.26Å; M234-W327 HydrophobicContact CG-CZ2 3.91Å; M234-W327 HydrophobicContact CG-CZ3 3.24Å; M234-W327 HydrophobicContact SD-CD2 3.53Å; M234-W327 VanDerWaalsContact SD-CD2 3.53Å; M234-W327 HydrophobicContact SD-CE3 3.51Å; M234-W327 VanDerWaalsContact SD-CE3 3.51Å; M234-W327 HydrophobicContact SD-CG 4.43Å; M234-W327 HydrophobicContact SD-CH2 3.33Å; M234-W327 WeakPolarHBondContact SD-CH2 3.31Å; M234-W327 HydrophobicContact SD-CZ2 3.31Å; M234-W327 WeakPolarHBondContact SD-CZ2 3.34Å; M234-W327 HydrophobicContact SD-CZ3 3.44Å; M234-W327 WeakPolarHBondContact SD-CZ3 3.08Å; M234-L578 HydrophobicContact CB-CD1 4.19Å; M234-L578 HydrophobicContact CE-CD2 4.45Å; M234-L578 HydrophobicContact CG-CD1 3.9Å
235T90.3Very high91.6Very high76 Ų7643 Ų4347%0.46622%0.219SC..Hα-helixtrans-60.1-51.4172.4-44.60000110.7A231 K232 K237 A238 D239A231-T235 PolarHBondContact O-N 3.01Å; A231-T235 PolarHBondContact O-OG1 2.88Å; K232-T235 PolarHBondContact O-N 3.47Å; T235-K237 PolarHBondContact O-N 2.73Å; T235-K237 VanDerWaalsContact O-N 3.15Å; T235-A238 PolarHBondContact O-N 3.32Å; T235-A238 VanDerWaalsContact O-N 3.13Å; T235-D239 VanDerWaalsContact O-CG 3.26Å; T235-D239 PolarHBondContact O-N 3.15Å
236E88.8Confident91.8Very high42 Ų4245.3 Ų45.320%0.19623%0.232CC..Hα-helixtrans-58.6-31.9177.1-74.1-169.3-139.900113.1K232 L233 A240 R319 R456K232-E236 PolarHBondContact O-N 3.26Å; K232-E236 VanDerWaalsContact O-N 3.11Å; L233-E236 PolarHBondContact O-N 2.78Å; E236-A240 VanDerWaalsContact O-CB 3.29Å; E236-A240 WeakPolarHBondContact O-CB 3.44Å; E236-A240 PolarHBondContact O-N 3.24Å; E236-A240 VanDerWaalsContact O-N 3.15Å; E236-R319 IonicContact OE2-CZ 3.43Å; E236-R319 IonicContact OE2-NH1 2.84Å; E236-R319 PolarHBondContact OE2-NH1 3.4Å; E236-R319 VanDerWaalsContact OE2-NH1 3.12Å; E236-R319 IonicContact OE2-NH2 2.77Å; E236-R319 PolarHBondContact OE2-NH2 3.41Å; E236-R456 IonicContact OE1-NH1 2.68Å; E236-R456 PolarHBondContact OE1-NH1 3.24Å
237K91.8Very high92Very high38 Ų3845.2 Ų45.217%0.16523%0.231CC..Hα-helixtrans-73.3-44.2178.3-178.7-170.1167.7-1630111L233 M234 T235 A240 E241 W327L233-K237 WeakPolarHBondContact O-CB 3.41Å; L233-K237 PolarHBondContact O-N 2.75Å; M234-K237 PolarHBondContact O-N 3.02Å; M234-K237 HydrophobicContact SD-CD 4.11Å; T235-K237 PolarHBondContact O-N 2.73Å; T235-K237 VanDerWaalsContact O-N 3.15Å; K237-A240 PolarHBondContact O-N 3.28Å; K237-E241 WeakPolarHBondContact O-CB 3.39Å; K237-E241 PolarHBondContact O-N 3.42Å; K237-W327 HydrophobicContact CD-CB 4.28Å; K237-W327 HydrophobicContact CD-CG 4.19Å
238A93.5Very high91.9Very high52 Ų5244.7 Ų44.743%0.4323%0.23SC..Hα-helixtrans-60.4-48.2175.900000110.7M234 T235 A240 E241 E242M234-A238 PolarHBondContact O-N 3.37Å; T235-A238 PolarHBondContact O-N 3.32Å; T235-A238 VanDerWaalsContact O-N 3.13Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 3.14Å; A238-E241 WeakPolarHBondContact O-CB 3.46Å; A238-E241 PolarHBondContact O-N 3.44Å; A238-E242 PolarHBondContact O-N 3.31Å
239D92.4Very high91.9Very high74 Ų7449.5 Ų49.540%0.39625%0.252SS..Hα-helixtrans-57-41175.5-60.6-13.6000111.5T235 E241 N243T235-D239 VanDerWaalsContact O-CG 3.26Å; T235-D239 PolarHBondContact O-N 3.15Å; D239-E241 VanDerWaalsContact C-N 3.32Å; D239-N243 WeakPolarHBondContact O-CB 3.47Å; D239-N243 PolarHBondContact O-N 2.96Å; D239-N243 PolarHBondContact O-ND2 2.92Å
240A91.9Very high92Very high3 Ų349.7 Ų49.73%0.02525%0.254CS..Hα-helixtrans-70.8-27.6179.600000113.4E236 K237 A238 L244 R319 T323E236-A240 VanDerWaalsContact O-CB 3.29Å; E236-A240 WeakPolarHBondContact O-CB 3.44Å; E236-A240 PolarHBondContact O-N 3.24Å; E236-A240 VanDerWaalsContact O-N 3.15Å; K237-A240 PolarHBondContact O-N 3.28Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 3.14Å; A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 PolarHBondContact O-N 2.66Å; A240-R319 HydrophobicContact CB-CG 3.81Å; A240-T323 HydrophobicContact CB-CG2 4.11Å
241E93.8Very high91.9Very high81 Ų8149.8 Ų49.838%0.37926%0.255SS..Hα-helixtrans-74.7-46.9176-168.9163.5-168.500110.3K237 A238 D239 L244 E245K237-E241 WeakPolarHBondContact O-CB 3.39Å; K237-E241 PolarHBondContact O-N 3.42Å; A238-E241 WeakPolarHBondContact O-CB 3.46Å; A238-E241 PolarHBondContact O-N 3.44Å; D239-E241 VanDerWaalsContact C-N 3.32Å; E241-L244 WeakPolarHBondContact O-CB 3.33Å; E241-L244 PolarHBondContact O-N 3.47Å; E241-L244 VanDerWaalsContact O-N 3.09Å; E241-E245 WeakPolarHBondContact O-CG 3.3Å; E241-E245 PolarHBondContact O-N 2.93Å
242E94.6Very high91.7Very high116 Ų11654.9 Ų54.954%0.54227%0.274SS..Hα-helixtrans-58.3-50.6173.5-175.5180-178.200111.8A238 L244 E245 D246A238-E242 PolarHBondContact O-N 3.31Å; E242-L244 PolarHBondContact O-N 3.49Å; E242-L244 VanDerWaalsContact O-N 3.09Å; E242-E245 WeakPolarHBondContact O-CB 3.48Å; E242-E245 PolarHBondContact O-N 3.07Å; E242-D246 PolarHBondContact O-N 3.21Å
243N93.4Very high91.6Very high86 Ų8656.7 Ų56.746%0.4628%0.282SS..Hα-helixtrans-61.1-23.1176.8-80.1-66.3000113.8D239 A247 S316D239-N243 WeakPolarHBondContact O-CB 3.47Å; D239-N243 PolarHBondContact O-N 2.96Å; D239-N243 PolarHBondContact O-ND2 2.92Å; N243-A247 WeakPolarHBondContact O-CB 3.32Å; N243-A247 PolarHBondContact O-N 3.23Å; N243-S316 PolarHBondContact O-OG 3.37Å; N243-S316 VanDerWaalsContact O-OG 3.04Å
244L94.4Very high91.5Very high2 Ų256.8 Ų56.81%0.0128%0.283CS..Hα-helixtrans-79.2-44.8173176.463.3000110.3A240 E241 E242 A247 M248 P276 Y279 V317 H320A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 PolarHBondContact O-N 2.66Å; E241-L244 WeakPolarHBondContact O-CB 3.33Å; E241-L244 PolarHBondContact O-N 3.47Å; E241-L244 VanDerWaalsContact O-N 3.09Å; E242-L244 PolarHBondContact O-N 3.49Å; E242-L244 VanDerWaalsContact O-N 3.09Å; L244-A247 PolarHBondContact O-N 3.01Å; L244-M248 HydrophobicContact CD1-CE 3.97Å; L244-M248 HydrophobicContact CD1-CG 4.14Å; L244-M248 HydrophobicContact CD1-SD 4.44Å; L244-M248 HydrophobicContact CG-CG 4.32Å; L244-M248 VanDerWaalsContact O-CG 3.23Å; L244-M248 WeakPolarHBondContact O-CG 3.44Å; L244-M248 PolarHBondContact O-N 3.21Å; L244-P276 HydrophobicContact CD2-CG 4.34Å; L244-Y279 HydrophobicContact CD2-CE2 4.5Å; L244-V317 HydrophobicContact CD1-CB 4.48Å; L244-V317 HydrophobicContact CD1-CG2 3.64Å; L244-H320 HydrophobicContact CB-CB 4.43Å; L244-H320 HydrophobicContact CD2-CB 3.8Å
245E92.6Very high91.3Very high100 Ų10055 Ų5547%0.46727%0.274SS..Hα-helixtrans-57.3-48.1176.3-71.4-178.9169.300111.7E241 E242 A247 M248 E249 Y279E241-E245 WeakPolarHBondContact O-CG 3.3Å; E241-E245 PolarHBondContact O-N 2.93Å; E242-E245 WeakPolarHBondContact O-CB 3.48Å; E242-E245 PolarHBondContact O-N 3.07Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.2Å; E245-M248 PolarHBondContact O-N 3.22Å; E245-E249 PolarHBondContact O-N 2.88Å; E245-Y279 WeakPolarHBondContact CG-OH 3.35Å
246D93.9Very high90.9Very high75 Ų7556.3 Ų56.340%0.40128%0.275SS..Hα-helixtrans-56.2-46.9175.2-69.9-15.8000111.9E242 M248 E249 E250E242-D246 PolarHBondContact O-N 3.21Å; D246-M248 VanDerWaalsContact C-N 3.3Å; D246-M248 PolarHBondContact O-N 3.45Å; D246-E249 PolarHBondContact O-N 2.94Å; D246-E250 PolarHBondContact O-N 3.45Å; D246-E250 VanDerWaalsContact O-N 3.1Å
247A93.4Very high90.5Very high0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-65.4-35.3178.600000111.8N243 L244 E245 V251 Q312N243-A247 WeakPolarHBondContact O-CB 3.32Å; N243-A247 PolarHBondContact O-N 3.23Å; L244-A247 PolarHBondContact O-N 3.01Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.2Å; A247-V251 VanDerWaalsContact O-CG2 3.27Å; A247-V251 WeakPolarHBondContact O-CG2 3.33Å; A247-V251 PolarHBondContact O-N 3.41Å; A247-Q312 HydrophobicContact CB-CG 4.35Å
248M92.8Very high90Very high4 Ų453.8 Ų53.82%0.0227%0.266CS..Hα-helixtrans-71-34.1176.7-68.2-57.694.600111.8L244 E245 D246 V251 R252 C275 Y279 M283 V313L244-M248 HydrophobicContact CD1-CE 3.97Å; L244-M248 HydrophobicContact CD1-CG 4.14Å; L244-M248 HydrophobicContact CD1-SD 4.44Å; L244-M248 HydrophobicContact CG-CG 4.32Å; L244-M248 VanDerWaalsContact O-CG 3.23Å; L244-M248 WeakPolarHBondContact O-CG 3.44Å; L244-M248 PolarHBondContact O-N 3.21Å; E245-M248 PolarHBondContact O-N 3.22Å; D246-M248 VanDerWaalsContact C-N 3.3Å; D246-M248 PolarHBondContact O-N 3.45Å; M248-V251 HydrophobicContact CE-CG2 4.36Å; M248-V251 PolarHBondContact O-N 3.41Å; M248-R252 WeakPolarHBondContact O-CB 3.22Å; M248-R252 PolarHBondContact O-N 2.95Å; M248-C275 HydrophobicContact CE-CB 4.42Å; M248-C275 HydrophobicContact SD-CB 3.82Å; M248-C275 VanDerWaalsContact SD-SG 3.7Å; M248-Y279 HydrophobicContact CB-CD1 3.77Å; M248-Y279 HydrophobicContact CB-CE1 3.94Å; M248-Y279 HydrophobicContact CB-CG 4.38Å; M248-Y279 HydrophobicContact CG-CD1 3.64Å; M248-Y279 HydrophobicContact CG-CD2 4.14Å; M248-Y279 HydrophobicContact CG-CE1 3.85Å; M248-Y279 HydrophobicContact CG-CE2 4.34Å; M248-Y279 HydrophobicContact CG-CG 3.78Å; M248-Y279 HydrophobicContact SD-CD1 4.4Å; M248-Y279 HydrophobicContact SD-CD2 4.44Å; M248-Y279 HydrophobicContact SD-CG 4.05Å; M248-M283 HydrophobicContact CB-CE 4.02Å; M248-M283 VanDerWaalsContact O-CE 3.24Å; M248-M283 WeakPolarHBondContact O-CE 3.5Å; M248-M283 HydrophobicContact SD-CE 4.17Å; M248-V313 HydrophobicContact CE-CG1 3.94Å; M248-V313 HydrophobicContact CE-CG2 4.08Å
249E90Very high89.2Confident101 Ų10157.4 Ų57.447%0.47227%0.273SS..Hα-helixtrans-64.5-44.6173.4-164.2-170.4138.800111.5E245 D246 V251 R252 K253E245-E249 PolarHBondContact O-N 2.88Å; D246-E249 PolarHBondContact O-N 2.94Å; E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 2.95Å; E249-R252 WeakPolarHBondContact O-CA 3.35Å; E249-R252 WeakPolarHBondContact O-CB 3.26Å; E249-R252 PolarHBondContact O-N 2.63Å; E249-R252 VanDerWaalsContact O-N 3.09Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.17Å; E249-K253 WeakPolarHBondContact OE1-CE 3.38Å; E249-K253 IonicContact OE1-NZ 2.7Å; E249-K253 PolarHBondContact OE1-NZ 3.37Å
250E90.6Very high88.3Confident81 Ų8160.9 Ų60.938%0.37928%0.281SS..Hα-helixtrans-63.4-39.5175.5-70.3-58.9121.100112.2D246 R252 K253 V254 L309D246-E250 PolarHBondContact O-N 3.45Å; D246-E250 VanDerWaalsContact O-N 3.1Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 3.03Å; E250-K253 PolarHBondContact O-N 2.98Å; E250-K253 WeakPolarHBondContact OE1-CD 3.31Å; E250-K253 IonicContact OE1-NZ 3.61Å; E250-K253 PolarHBondContact OE1-NZ 2.9Å; E250-V254 WeakPolarHBondContact O-CG2 3.44Å; E250-V254 PolarHBondContact O-N 2.99Å; E250-L309 HydrophobicContact CB-CD1 3.78Å
251V91Very high87.4Confident2 Ų268.7 Ų68.71%0.01232%0.322CS..Hα-helixtrans-61.2-40.4172.1171.50000111.2A247 M248 E249 V254 N255 I271 L272 M283 L309 V313A247-V251 VanDerWaalsContact O-CG2 3.27Å; A247-V251 WeakPolarHBondContact O-CG2 3.33Å; A247-V251 PolarHBondContact O-N 3.41Å; M248-V251 HydrophobicContact CE-CG2 4.36Å; M248-V251 PolarHBondContact O-N 3.41Å; E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 2.95Å; V251-V254 PolarHBondContact O-N 3.23Å; V251-N255 VanDerWaalsContact O-CB 3.25Å; V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 PolarHBondContact O-N 3.49Å; V251-I271 HydrophobicContact CG1-CG2 4.32Å; V251-I271 HydrophobicContact CG2-CG2 3.76Å; V251-L272 HydrophobicContact CG1-CD2 3.7Å; V251-M283 HydrophobicContact CB-CE 4.32Å; V251-M283 HydrophobicContact CG1-CE 4.13Å; V251-M283 HydrophobicContact CG1-SD 4.06Å; V251-L309 HydrophobicContact CG2-CD1 4.2Å; V251-L309 HydrophobicContact CG2-CD2 4.19Å; V251-L309 HydrophobicContact CG2-CG 4.24Å; V251-V313 HydrophobicContact CG2-CG2 3.4Å; V251-V313 VanDerWaalsContact CG2-CG2 3.4Å
252R87.5Confident86.7Confident108 Ų10867.3 Ų67.341%0.40832%0.316SS..Hα-helixtrans-62.4-49.5177.6-177.8179176.9169.1-0.8111.4M248 E249 E250 V254 N255 E256 M283 N286M248-R252 WeakPolarHBondContact O-CB 3.22Å; M248-R252 PolarHBondContact O-N 2.95Å; E249-R252 WeakPolarHBondContact O-CA 3.35Å; E249-R252 WeakPolarHBondContact O-CB 3.26Å; E249-R252 PolarHBondContact O-N 2.63Å; E249-R252 VanDerWaalsContact O-N 3.09Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 3.03Å; R252-V254 VanDerWaalsContact C-N 3.3Å; R252-V254 PolarHBondContact O-N 3.45Å; R252-N255 WeakPolarHBondContact O-CB 3.24Å; R252-N255 PolarHBondContact O-N 2.91Å; R252-N255 VanDerWaalsContact O-N 3.13Å; R252-E256 HydrophobicContact CG-CG 4.47Å; R252-E256 VanDerWaalsContact CG-OE1 3.29Å; R252-E256 WeakPolarHBondContact CG-OE1 3.5Å; R252-E256 IonicContact CZ-OE1 3.51Å; R252-E256 IonicContact NE-OE1 2.83Å; R252-E256 PolarHBondContact NE-OE1 2.97Å; R252-E256 IonicContact NH2-OE1 3.07Å; R252-E256 WeakPolarHBondContact O-CG 3.22Å; R252-E256 PolarHBondContact O-N 3.4Å; R252-M283 HydrophobicContact CB-CE 4.37Å; R252-N286 PolarHBondContact NH2-ND2 3.48Å; R252-N286 VanDerWaalsContact NH2-ND2 3.1Å
253K86.8Confident86.1Confident91 Ų9166.9 Ų66.940%0.39632%0.323SS..Hα-helixtrans-56.8-43176.3-68.4170.9-172.8158.90112.1E249 E250 S257E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.17Å; E249-K253 WeakPolarHBondContact OE1-CE 3.38Å; E249-K253 IonicContact OE1-NZ 2.7Å; E249-K253 PolarHBondContact OE1-NZ 3.37Å; E250-K253 PolarHBondContact O-N 2.98Å; E250-K253 WeakPolarHBondContact OE1-CD 3.31Å; E250-K253 IonicContact OE1-NZ 3.61Å; E250-K253 PolarHBondContact OE1-NZ 2.9Å; K253-S257 WeakPolarHBondContact O-CB 3.5Å; K253-S257 PolarHBondContact O-N 3.12Å; K253-S257 PolarHBondContact O-OG 3.47Å
254V87.5Confident85.6Confident16 Ų1664.3 Ų64.310%0.09731%0.309CS..Hα-helixtrans-68.8-37.8177.5170.60000112.1E250 V251 R252 S257 I258 V268 P301 L306 L309E250-V254 WeakPolarHBondContact O-CG2 3.44Å; E250-V254 PolarHBondContact O-N 2.99Å; V251-V254 PolarHBondContact O-N 3.23Å; R252-V254 VanDerWaalsContact C-N 3.3Å; R252-V254 PolarHBondContact O-N 3.45Å; V254-S257 WeakPolarHBondContact CA-OG 3.29Å; V254-S257 PolarHBondContact O-OG 3.45Å; V254-S257 VanDerWaalsContact O-OG 3.11Å; V254-I258 HydrophobicContact CG1-CD1 3.92Å; V254-I258 WeakPolarHBondContact O-CG1 3.35Å; V254-I258 PolarHBondContact O-N 3.28Å; V254-I258 VanDerWaalsContact O-N 3.17Å; V254-V268 HydrophobicContact CG1-CG2 3.84Å; V254-P301 HydrophobicContact CG1-CG 4.3Å; V254-P301 HydrophobicContact CG2-CG 4.26Å; V254-L306 HydrophobicContact CG1-CD2 3.48Å; V254-L306 VanDerWaalsContact CG1-CD2 3.48Å; V254-L309 HydrophobicContact CB-CD2 4.13Å; V254-L309 HydrophobicContact CG1-CD2 4.42Å; V254-L309 HydrophobicContact CG2-CD2 3.72Å
255N85.7Confident85.2Confident8 Ų865.3 Ų65.34%0.04331%0.313CS..Hα-helixtrans-66-43177.1-172.544.1000111.4V251 R252 V268 M287V251-N255 VanDerWaalsContact O-CB 3.25Å; V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 PolarHBondContact O-N 3.49Å; R252-N255 WeakPolarHBondContact O-CB 3.24Å; R252-N255 PolarHBondContact O-N 2.91Å; R252-N255 VanDerWaalsContact O-N 3.13Å; N255-V268 HydrophobicContact CB-CG1 4.28Å; N255-M287 HydrophobicContact CB-CE 4.33Å; N255-M287 VanDerWaalsContact CG-CE 3.41Å; N255-M287 WeakPolarHBondContact ND2-CE 3.23Å; N255-M287 WeakPolarHBondContact O-CE 3.31Å
256E82.1Confident84.9Confident103 Ų10368.5 Ų68.548%0.48133%0.325SS..Hα-helixtrans-67.9-37.1178.1-70.8169.8-177.900112.2R252R252-E256 HydrophobicContact CG-CG 4.47Å; R252-E256 VanDerWaalsContact CG-OE1 3.29Å; R252-E256 WeakPolarHBondContact CG-OE1 3.5Å; R252-E256 IonicContact CZ-OE1 3.51Å; R252-E256 IonicContact NE-OE1 2.83Å; R252-E256 PolarHBondContact NE-OE1 2.97Å; R252-E256 IonicContact NH2-OE1 3.07Å; R252-E256 WeakPolarHBondContact O-CG 3.22Å; R252-E256 PolarHBondContact O-N 3.4Å
257S80.9Confident84.5Confident25 Ų2565.9 Ų65.918%0.17531%0.312CS..Hα-helixtrans-76.1-28.3179.854.80000114.7K253 V254K253-S257 WeakPolarHBondContact O-CB 3.5Å; K253-S257 PolarHBondContact O-N 3.12Å; K253-S257 PolarHBondContact O-OG 3.47Å; V254-S257 WeakPolarHBondContact CA-OG 3.29Å; V254-S257 PolarHBondContact O-OG 3.45Å; V254-S257 VanDerWaalsContact O-OG 3.11Å
258I80.9Confident84.2Confident1 Ų166 Ų661%0.00531%0.313CS..SBendtrans-99.199.7-177.2-61.7179.1000111V254 H262 L264 R265 V268 P301 L306V254-I258 HydrophobicContact CG1-CD1 3.92Å; V254-I258 WeakPolarHBondContact O-CG1 3.35Å; V254-I258 PolarHBondContact O-N 3.28Å; V254-I258 VanDerWaalsContact O-N 3.17Å; I258-H262 HydrophobicContact CG2-CB 3.77Å; I258-L264 HydrophobicContact CD1-CB 4.32Å; I258-R265 HydrophobicContact CG2-CB 4.3Å; I258-R265 PolarHBondContact O-NH1 3.42Å; I258-V268 HydrophobicContact CB-CG2 4.31Å; I258-V268 HydrophobicContact CD1-CG2 3.59Å; I258-V268 HydrophobicContact CG1-CG2 4.48Å; I258-V268 HydrophobicContact CG2-CG2 4.37Å; I258-P301 HydrophobicContact CD1-CG 3.91Å; I258-P301 HydrophobicContact CG1-CG 4.44Å; I258-L306 HydrophobicContact CD1-CD1 4.34Å; I258-L306 HydrophobicContact CD1-CD2 4.33Å
259K77.4Confident83.9Confident128 Ų12869.2 Ų69.256%0.55733%0.33SS*.  trans-62.3159.1174.8-62.7-168.2178.4-1700112.7N261 H262K259-N261 PolarHBondContact O-N 3.44Å; K259-N261 VanDerWaalsContact O-N 3.12Å; K259-H262 WeakPolarHBondContact O-CB 3.49Å; K259-H262 PolarHBondContact O-N 2.93Å; K259-H262 VanDerWaalsContact O-N 3.16Å
260Y72.8Confident83.9Confident148 Ų14867.1 Ų67.158%0.5833%0.325SS*.THydrogen-bonded Turntrans-55.4-30.9-175.2-65.5-80.7000115H262Y260-H262 VanDerWaalsContact C-N 3.34Å; Y260-H262 PolarHBondContact O-N 3.4Å
261N73.4Confident83.8Confident166 Ų16663.4 Ų63.489%0.88831%0.307SS*.THydrogen-bonded Turntrans-84-4.5-175.7-66-17000114.1K259K259-N261 PolarHBondContact O-N 3.44Å; K259-N261 VanDerWaalsContact O-N 3.12Å
262H79.9Confident83.7Confident53 Ų5364.7 Ų64.725%0.24531%0.314CS..SBendtrans-80.2138.9-175.2-165.6-90.2000112I258 K259 Y260 L264 R265I258-H262 HydrophobicContact CG2-CB 3.77Å; K259-H262 WeakPolarHBondContact O-CB 3.49Å; K259-H262 PolarHBondContact O-N 2.93Å; K259-H262 VanDerWaalsContact O-N 3.16Å; Y260-H262 VanDerWaalsContact C-N 3.34Å; Y260-H262 PolarHBondContact O-N 3.4Å; H262-L264 VanDerWaalsContact CE1-CD1 3.5Å; H262-L264 WeakPolarHBondContact CE1-CD1 3.33Å; H262-L264 VanDerWaalsContact CE1-CG 3.47Å; H262-L264 WeakPolarHBondContact CE1-CG 3.3Å; H262-L264 WeakPolarHBondContact ND1-CB 3.39Å; H262-L264 PolarHBondContact ND1-N 3.43Å; H262-L264 VanDerWaalsContact ND1-N 3.16Å; H262-L264 PolarHBondContact O-N 3.02Å; H262-L264 VanDerWaalsContact O-N 3.14Å; H262-R265 WeakPolarHBondContact O-CB 3.47Å; H262-R265 PolarHBondContact O-N 3.02Å
263P81.1Confident83.7Confident107 Ų10767.9 Ų67.970%0.69533%0.331SS*.THydrogen-bonded Turntrans-58.6-30.3-179.521.5-33.9000113.9R265P263-R265 PolarHBondContact O-N 3.24Å
264L84.1Confident83.8Confident31 Ų3168.9 Ų68.916%0.16234%0.335CS..THydrogen-bonded Turntrans-74.8-5.9176.5-59.3174.8000113.9I258 H262 K266 C267 V268 P301 E303 L306I258-L264 HydrophobicContact CD1-CB 4.32Å; H262-L264 VanDerWaalsContact CE1-CD1 3.5Å; H262-L264 WeakPolarHBondContact CE1-CD1 3.33Å; H262-L264 VanDerWaalsContact CE1-CG 3.47Å; H262-L264 WeakPolarHBondContact CE1-CG 3.3Å; H262-L264 WeakPolarHBondContact ND1-CB 3.39Å; H262-L264 PolarHBondContact ND1-N 3.43Å; H262-L264 VanDerWaalsContact ND1-N 3.16Å; H262-L264 PolarHBondContact O-N 3.02Å; H262-L264 VanDerWaalsContact O-N 3.14Å; L264-K266 VanDerWaalsContact C-N 3.27Å; L264-K266 PolarHBondContact O-N 2.84Å; L264-C267 VanDerWaalsContact O-CB 3.27Å; L264-C267 WeakPolarHBondContact O-CB 3.35Å; L264-C267 PolarHBondContact O-N 3.25Å; L264-V268 PolarHBondContact O-N 2.79Å; L264-P301 WeakPolarHBondContact CD1-O 3.23Å; L264-E303 HydrophobicContact CD2-CB 4.28Å; L264-E303 HydrophobicContact CD2-CG 4.39Å; L264-L306 HydrophobicContact CB-CD1 3.8Å; L264-L306 HydrophobicContact CD1-CD1 3.78Å; L264-L306 HydrophobicContact CD2-CD1 4.06Å; L264-L306 HydrophobicContact CG-CD1 4.09Å
265R85.6Confident83.9Confident24 Ų2468.5 Ų68.59%0.09133%0.333CS..Hα-helixtrans-59.4-38.7179.8-175.760.4-176.9-125.5-3112.1I258 H262 P263 C267 V268 D269I258-R265 HydrophobicContact CG2-CB 4.3Å; I258-R265 PolarHBondContact O-NH1 3.42Å; H262-R265 WeakPolarHBondContact O-CB 3.47Å; H262-R265 PolarHBondContact O-N 3.02Å; P263-R265 PolarHBondContact O-N 3.24Å; R265-C267 PolarHBondContact O-N 3.01Å; R265-V268 WeakPolarHBondContact O-CB 3.48Å; R265-V268 PolarHBondContact O-N 3.27Å; R265-D269 IonicContact CZ-OD1 3.4Å; R265-D269 IonicContact NE-OD1 2.78Å; R265-D269 PolarHBondContact NE-OD1 3.43Å; R265-D269 VanDerWaalsContact O-CG 3.24Å; R265-D269 PolarHBondContact O-N 3.48Å
266K86Confident84Confident167 Ų16769.8 Ų69.873%0.72634%0.342SS*.Hα-helixtrans-56.6-35.5174.4-64.8-177.7-178.81780112.7L264 T270L264-K266 VanDerWaalsContact C-N 3.27Å; L264-K266 PolarHBondContact O-N 2.84Å; K266-T270 PolarHBondContact O-N 3.13Å; K266-T270 VanDerWaalsContact O-N 3.14Å; K266-T270 PolarHBondContact O-OG1 3.46Å
267C85.9Confident84.2Confident19 Ų1969.3 Ų69.313%0.12835%0.346CS..Hα-helixtrans-69.2-44.6176.4-62.30000110.7F138 L264 R265 T270 I271 L306F138-C267 HydrophobicContact CD1-CB 4.22Å; F138-C267 HydrophobicContact CD2-CB 4.04Å; F138-C267 HydrophobicContact CE1-CB 3.96Å; F138-C267 WeakPolarHBondContact CE1-O 3.15Å; F138-C267 HydrophobicContact CE2-CB 3.77Å; F138-C267 HydrophobicContact CG-CB 4.27Å; F138-C267 HydrophobicContact CZ-CB 3.74Å; L264-C267 VanDerWaalsContact O-CB 3.27Å; L264-C267 WeakPolarHBondContact O-CB 3.35Å; L264-C267 PolarHBondContact O-N 3.25Å; R265-C267 PolarHBondContact O-N 3.01Å; C267-T270 WeakPolarHBondContact O-CB 3.4Å; C267-T270 PolarHBondContact O-N 2.91Å; C267-I271 WeakPolarHBondContact O-CG1 3.33Å; C267-I271 PolarHBondContact O-N 3.31Å; C267-L306 HydrophobicContact CB-CD1 4.24Å
268V86.5Confident84.3Confident2 Ų274.3 Ų74.31%0.01237%0.367CS..Hα-helixtrans-62.2-46176.4-178.20000111.3V254 N255 I258 L264 R265 T270 I271 L272 L306V254-V268 HydrophobicContact CG1-CG2 3.84Å; N255-V268 HydrophobicContact CB-CG1 4.28Å; I258-V268 HydrophobicContact CB-CG2 4.31Å; I258-V268 HydrophobicContact CD1-CG2 3.59Å; I258-V268 HydrophobicContact CG1-CG2 4.48Å; I258-V268 HydrophobicContact CG2-CG2 4.37Å; L264-V268 PolarHBondContact O-N 2.79Å; R265-V268 WeakPolarHBondContact O-CB 3.48Å; R265-V268 PolarHBondContact O-N 3.27Å; V268-T270 PolarHBondContact O-N 3.02Å; V268-I271 CarbonylContact O-C 3.58Å; V268-I271 WeakPolarHBondContact O-CA 3.42Å; V268-I271 WeakPolarHBondContact O-CB 3.43Å; V268-I271 PolarHBondContact O-N 3.05Å; V268-L272 HydrophobicContact CG1-CD1 4.23Å; V268-L272 HydrophobicContact CG1-CG 4.36Å; V268-L272 WeakPolarHBondContact O-CG 3.2Å; V268-L272 PolarHBondContact O-N 2.93Å; V268-L306 HydrophobicContact CG2-CD2 4.2Å
269D87.1Confident84.4Confident72 Ų7276.5 Ų76.539%0.38538%0.375SS..Hα-helixtrans-60.7-35.3177.7-59.5-28.8000111.6R265 L272 K273R265-D269 IonicContact CZ-OD1 3.4Å; R265-D269 IonicContact NE-OD1 2.78Å; R265-D269 PolarHBondContact NE-OD1 3.43Å; R265-D269 VanDerWaalsContact O-CG 3.24Å; R265-D269 PolarHBondContact O-N 3.48Å; D269-L272 PolarHBondContact O-N 3.35Å; D269-K273 PolarHBondContact O-N 3.46Å; D269-K273 VanDerWaalsContact O-N 3.08Å
270T88.7Confident84.7Confident58 Ų5873.6 Ų73.636%0.35636%0.364SS..Hα-helixtrans-65.2-39.4173.6-57.30000111.7F138 K266 C267 V268F138-T270 HydrophobicContact CD1-CG2 4.07Å; F138-T270 HydrophobicContact CE1-CG2 4.48Å; K266-T270 PolarHBondContact O-N 3.13Å; K266-T270 VanDerWaalsContact O-N 3.14Å; K266-T270 PolarHBondContact O-OG1 3.46Å; C267-T270 WeakPolarHBondContact O-CB 3.4Å; C267-T270 PolarHBondContact O-N 2.91Å; V268-T270 PolarHBondContact O-N 3.02Å
271I89.5Confident85Confident2 Ų272.6 Ų72.61%0.0137%0.365CS..Hα-helixtrans-65.8-48174.6-62.8169.9000110.3F138 V251 C267 V268 K273 K274 C275 L306 L309 H310 V313F138-I271 HydrophobicContact CE1-CD1 4.32Å; F138-I271 HydrophobicContact CE1-CG1 3.89Å; F138-I271 HydrophobicContact CZ-CD1 4.03Å; F138-I271 HydrophobicContact CZ-CG1 4.12Å; V251-I271 HydrophobicContact CG1-CG2 4.32Å; V251-I271 HydrophobicContact CG2-CG2 3.76Å; C267-I271 WeakPolarHBondContact O-CG1 3.33Å; C267-I271 PolarHBondContact O-N 3.31Å; V268-I271 CarbonylContact O-C 3.58Å; V268-I271 WeakPolarHBondContact O-CA 3.42Å; V268-I271 WeakPolarHBondContact O-CB 3.43Å; V268-I271 PolarHBondContact O-N 3.05Å; I271-K273 PolarHBondContact O-N 2.95Å; I271-K274 WeakPolarHBondContact O-CA 3.28Å; I271-K274 WeakPolarHBondContact O-CB 3.22Å; I271-K274 PolarHBondContact O-N 2.94Å; I271-C275 PolarHBondContact O-N 3.49Å; I271-L306 HydrophobicContact CD1-CD2 4.32Å; I271-L309 HydrophobicContact CD1-CD2 4.43Å; I271-H310 HydrophobicContact CD1-CB 4.03Å; I271-H310 HydrophobicContact CG1-CB 3.74Å; I271-V313 HydrophobicContact CG2-CB 4.37Å; I271-V313 HydrophobicContact CG2-CG1 4.35Å; I271-V313 HydrophobicContact CG2-CG2 3.97Å
272L88.3Confident85.2Confident30 Ų3070.8 Ų70.816%0.15735%0.349CS..Hα-helixtrans-56.7-39.6-179.8-72.4172.9000111.8V251 V268 D269 K274 C275 Q280 M283V251-L272 HydrophobicContact CG1-CD2 3.7Å; V268-L272 HydrophobicContact CG1-CD1 4.23Å; V268-L272 HydrophobicContact CG1-CG 4.36Å; V268-L272 WeakPolarHBondContact O-CG 3.2Å; V268-L272 PolarHBondContact O-N 2.93Å; D269-L272 PolarHBondContact O-N 3.35Å; L272-K274 PolarHBondContact O-N 2.9Å; L272-K274 VanDerWaalsContact O-N 3.13Å; L272-C275 WeakPolarHBondContact O-CB 3.38Å; L272-C275 PolarHBondContact O-N 2.95Å; L272-Q280 PolarHBondContact O-NE2 3.44Å; L272-M283 HydrophobicContact CD2-SD 3.69Å
273K88.5Confident85Confident174 Ų17469 Ų6976%0.75734%0.341SS*.THydrogen-bonded Turntrans-61.1-20.9175.4-170.4171.9-177.7173.40113.7D269 I271D269-K273 PolarHBondContact O-N 3.46Å; D269-K273 VanDerWaalsContact O-N 3.08Å; I271-K273 PolarHBondContact O-N 2.95Å
274K88.6Confident84.2Confident112 Ų11266.2 Ų66.249%0.48733%0.331SS..THydrogen-bonded Turntrans-89.2-16.6176.3-62-60.5-175.7179.50113.4I271 L272 V313I271-K274 WeakPolarHBondContact O-CA 3.28Å; I271-K274 WeakPolarHBondContact O-CB 3.22Å; I271-K274 PolarHBondContact O-N 2.94Å; L272-K274 PolarHBondContact O-N 2.9Å; L272-K274 VanDerWaalsContact O-N 3.13Å; K274-V313 HydrophobicContact CB-CG1 4.28Å
275C89.2Confident83.1Confident8 Ų873.8 Ų73.85%0.05436%0.358CS..SBendtrans-68.6153.9176.6-57.70000111.5M248 I271 L272 Q280M248-C275 HydrophobicContact CE-CB 4.42Å; M248-C275 HydrophobicContact SD-CB 3.82Å; M248-C275 VanDerWaalsContact SD-SG 3.7Å; I271-C275 PolarHBondContact O-N 3.49Å; L272-C275 WeakPolarHBondContact O-CB 3.38Å; L272-C275 PolarHBondContact O-N 2.95Å; C275-Q280 HydrophobicContact CB-CG 4.15Å; C275-Q280 PolarHBondContact O-NE2 3.33Å
276P88.4Confident81.7Confident35 Ų3576.3 Ų76.323%0.22737%0.373CS..  trans-62.6149.4172.5-16.630.1000111.4L244 E278 Y279 Q280 V317L244-P276 HydrophobicContact CD2-CG 4.34Å; P276-E278 PolarHBondContact O-N 3.35Å; P276-Y279 HydrophobicContact CB-CD2 4.1Å; P276-Y279 HydrophobicContact CG-CD2 3.97Å; P276-Y279 PolarHBondContact O-N 2.96Å; P276-Q280 WeakPolarHBondContact O-CG 3.43Å; P276-Q280 PolarHBondContact O-N 3.29Å; P276-V317 HydrophobicContact CG-CG2 4.35Å
277T85Confident80.2Confident93 Ų9370.7 Ų70.757%0.57135%0.35SS*.Hα-helixtrans-57.3-36.8-17747.90000112.6Y279 Q280 E281T277-Y279 VanDerWaalsContact C-N 3.28Å; T277-Y279 PolarHBondContact O-N 3.26Å; T277-Q280 PolarHBondContact O-N 2.86Å; T277-E281 PolarHBondContact O-N 3.03Å
278E83.2Confident78.7Confident131 Ų13176.4 Ų76.461%0.61238%0.379SS*.Hα-helixtrans-59.9-36.1177.2-63.2179.3-16900113.1P276 K282P276-E278 PolarHBondContact O-N 3.35Å; E278-K282 WeakPolarHBondContact O-CD 3.21Å; E278-K282 VanDerWaalsContact O-CG 3.29Å; E278-K282 WeakPolarHBondContact O-CG 3.19Å
279Y83.4Confident77.2Confident46 Ų4682.9 Ų82.918%0.1841%0.414CS..Hα-helixtrans-82.9-33.6176.9-71.5-88.2000111.7L244 E245 M248 P276 T277 E281 K282 M283L244-Y279 HydrophobicContact CD2-CE2 4.5Å; E245-Y279 WeakPolarHBondContact CG-OH 3.35Å; M248-Y279 HydrophobicContact CB-CD1 3.77Å; M248-Y279 HydrophobicContact CB-CE1 3.94Å; M248-Y279 HydrophobicContact CB-CG 4.38Å; M248-Y279 HydrophobicContact CG-CD1 3.64Å; M248-Y279 HydrophobicContact CG-CD2 4.14Å; M248-Y279 HydrophobicContact CG-CE1 3.85Å; M248-Y279 HydrophobicContact CG-CE2 4.34Å; M248-Y279 HydrophobicContact CG-CG 3.78Å; M248-Y279 HydrophobicContact SD-CD1 4.4Å; M248-Y279 HydrophobicContact SD-CD2 4.44Å; M248-Y279 HydrophobicContact SD-CG 4.05Å; P276-Y279 HydrophobicContact CB-CD2 4.1Å; P276-Y279 HydrophobicContact CG-CD2 3.97Å; P276-Y279 PolarHBondContact O-N 2.96Å; T277-Y279 VanDerWaalsContact C-N 3.28Å; T277-Y279 PolarHBondContact O-N 3.26Å; Y279-E281 VanDerWaalsContact C-N 3.35Å; Y279-E281 PolarHBondContact O-N 2.95Å; Y279-K282 PolarHBondContact O-N 2.97Å; Y279-M283 WeakPolarHBondContact O-CB 3.27Å; Y279-M283 VanDerWaalsContact O-CG 3.24Å; Y279-M283 WeakPolarHBondContact O-CG 3.45Å; Y279-M283 PolarHBondContact O-N 3.45Å
280Q83.3Confident75.6Confident68 Ų6889.8 Ų89.832%0.31844%0.436SS..Hα-helixtrans-58.9-45.6174.8-69.8174.5-11.500111.6L272 C275 P276 T277 M283 G284L272-Q280 PolarHBondContact O-NE2 3.44Å; C275-Q280 HydrophobicContact CB-CG 4.15Å; C275-Q280 PolarHBondContact O-NE2 3.33Å; P276-Q280 WeakPolarHBondContact O-CG 3.43Å; P276-Q280 PolarHBondContact O-N 3.29Å; T277-Q280 PolarHBondContact O-N 2.86Å; Q280-M283 PolarHBondContact O-N 2.84Å; Q280-G284 PolarHBondContact O-N 3.13Å
281E79.6Confident73.9Confident127 Ų12795.5 Ų95.559%0.59346%0.459SS*.Hα-helixtrans-65.1-39.6178.5-70.8178.1-166.600112.4T277 Y279 G284 R285T277-E281 PolarHBondContact O-N 3.03Å; Y279-E281 VanDerWaalsContact C-N 3.35Å; Y279-E281 PolarHBondContact O-N 2.95Å; E281-G284 PolarHBondContact O-N 2.68Å; E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.01Å
282K77.4Confident72.3Confident127 Ų127102.4 Ų102.455%0.55250%0.495SS*.Hα-helixtrans-65.8-39.5176.2-71.7172.8-175.4176.20112.1E278 Y279E278-K282 WeakPolarHBondContact O-CD 3.21Å; E278-K282 VanDerWaalsContact O-CG 3.29Å; E278-K282 WeakPolarHBondContact O-CG 3.19Å; Y279-K282 PolarHBondContact O-N 2.97Å
283M75.3Confident70.5Confident17 Ų17109.9 Ų109.98%0.08453%0.527CS..Hα-helixtrans-73.7-31.7178.7-69.9171.8-173.900112.6M248 V251 R252 L272 Y279 Q280M248-M283 HydrophobicContact CB-CE 4.02Å; M248-M283 VanDerWaalsContact O-CE 3.24Å; M248-M283 WeakPolarHBondContact O-CE 3.5Å; M248-M283 HydrophobicContact SD-CE 4.17Å; V251-M283 HydrophobicContact CB-CE 4.32Å; V251-M283 HydrophobicContact CG1-CE 4.13Å; V251-M283 HydrophobicContact CG1-SD 4.06Å; R252-M283 HydrophobicContact CB-CE 4.37Å; L272-M283 HydrophobicContact CD2-SD 3.69Å; Y279-M283 WeakPolarHBondContact O-CB 3.27Å; Y279-M283 VanDerWaalsContact O-CG 3.24Å; Y279-M283 WeakPolarHBondContact O-CG 3.45Å; Y279-M283 PolarHBondContact O-N 3.45Å; Q280-M283 PolarHBondContact O-N 2.84Å
284G65.4Low68.7Low48 Ų48106.5 Ų106.550%0.49552%0.517SS..Hα-helixtrans-72.4-27.7179.600000114.4Q280 E281Q280-G284 PolarHBondContact O-N 3.13Å; E281-G284 PolarHBondContact O-N 2.68Å
285R60.6Low66.9Low190 Ų190110.9 Ų110.972%0.71754%0.539SS*.THydrogen-bonded Turntrans-76.2-22-177.3-76.2178.7176.6-178.61.2115E281E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.01Å
286N55.4Low65Low77 Ų77117.6 Ų117.641%0.41257%0.568SS.*THydrogen-bonded Turntrans-97.54.8-173-68.5-7.6000113.8R252R252-N286 PolarHBondContact NH2-ND2 3.48Å; R252-N286 VanDerWaalsContact NH2-ND2 3.1Å
287M55Low63.2Low48 Ų48124.5 Ų124.524%0.23660%0.597CS.*SBendtrans-86.6-13.8-177.5-86.6-72.2-172.100114N255N255-M287 HydrophobicContact CB-CE 4.33Å; N255-M287 VanDerWaalsContact CG-CE 3.41Å; N255-M287 WeakPolarHBondContact ND2-CE 3.23Å; N255-M287 WeakPolarHBondContact O-CE 3.31Å
288D54.7Low61.9Low139 Ų139124 Ų12474%0.74359%0.591SS**SBendtrans-89.6-10.6-173-65.4-20.4000113.3
289D53.6Low61Low138 Ų138125 Ų12574%0.73860%0.599SS**SBendtrans-107.31.8-169.4-76.4-11.4000115.4E291D289-E291 PolarHBondContact O-N 2.94Å
290Y55.1Low60.5Low217 Ų217128.6 Ų128.685%0.85161%0.612SS**  trans-96.482.4-179.6-110.9-91.3000111.8
291E52.9Low60.3Low179 Ų179126.6 Ų126.684%0.83661%0.606SS**  trans-67.2153.3163.1-75.4-164159.700111.8D289 F293D289-E291 PolarHBondContact O-N 2.94Å; E291-F293 PolarHBondContact O-N 3.13Å
292D55.8Low60.6Low146 Ų146123.7 Ų123.778%0.78160%0.599SS**SBendtrans-54.384.6-171.3-74.2-47.3000115.4
293F49Very low61Low188 Ų188123.4 Ų123.483%0.82560%0.6SS**  trans-124122.2163.3-103.2-92.8000112.7E291E291-F293 PolarHBondContact O-N 3.13Å
294D51Low61.5Low102 Ų102131.2 Ų131.255%0.54563%0.633SS.*  trans66.696.7172.5-84.56.7000118.3K296D294-K296 PolarHBondContact O-N 3.03Å; D294-K296 IonicContact OD2-NZ 3.64Å; D294-K296 PolarHBondContact OD2-NZ 2.87Å
295E51.8Low62.6Low204 Ų204131.2 Ų131.295%0.95363%0.626SS**  trans-68.244.3159.5-157.3173.5-15600111.7
296K49.4Very low63.9Low149 Ų149122.2 Ų122.265%0.64859%0.592SS**  trans-94102.2176-88.6176.5-171.4139.80110.1D294 N298D294-K296 PolarHBondContact O-N 3.03Å; D294-K296 IonicContact OD2-NZ 3.64Å; D294-K296 PolarHBondContact OD2-NZ 2.87Å; K296-N298 PolarHBondContact O-N 3.3Å; K296-N298 VanDerWaalsContact O-N 3.09Å
297H50.4Low65.5Low181 Ų181120.5 Ų120.584%0.83858%0.584SS**  trans43.154.5155.5-88.376000115.4I299H297-I299 PolarHBondContact O-N 2.88Å
298N56.5Low67.2Low83 Ų83125.5 Ų125.544%0.44460%0.604SS.*  trans-64.3102.8165-82.3-32.4000108.4K296 Y300K296-N298 PolarHBondContact O-N 3.3Å; K296-N298 VanDerWaalsContact O-N 3.09Å; N298-Y300 HydrophobicContact CB-CE1 4.39Å; N298-Y300 WeakPolarHBondContact O-CD2 3.11Å; N298-Y300 PolarHBondContact O-N 3.32Å
299I65Low69Low152 Ų152119.5 Ų119.578%0.77957%0.572SS**  trans-67.698.7172.7-63.3169.9000106.5H297H297-I299 PolarHBondContact O-N 2.88Å
300Y73.4Confident70.8Confident120 Ų120113.3 Ų113.347%0.47154%0.539SS..PPolyproline II helixtrans-66.4129.7178.4-63.6-72.7000110N298N298-Y300 HydrophobicContact CB-CE1 4.39Å; N298-Y300 WeakPolarHBondContact O-CD2 3.11Å; N298-Y300 PolarHBondContact O-N 3.32Å
301P79.8Confident72.4Confident27 Ų27105.3 Ų105.318%0.17551%0.508CS..PPolyproline II helixtrans-66.4139.817725.3-31.1000110.2V254 I258 L264 L306V254-P301 HydrophobicContact CG1-CG 4.3Å; V254-P301 HydrophobicContact CG2-CG 4.26Å; I258-P301 HydrophobicContact CD1-CG 3.91Å; I258-P301 HydrophobicContact CG1-CG 4.44Å; L264-P301 WeakPolarHBondContact CD1-O 3.23Å; P301-L306 HydrophobicContact CG-CD2 4.45Å
302S85.4Confident74.3Confident66 Ų66100.5 Ų100.546%0.46249%0.486SS..PPolyproline II helixtrans-63158.2175.872.10000112.6K304 S305 L306S302-K304 PolarHBondContact O-N 3.32Å; S302-S305 PolarHBondContact N-OG 3.1Å; S302-S305 PolarHBondContact O-N 3.42Å; S302-S305 VanDerWaalsContact O-N 3.15Å; S302-S305 PolarHBondContact O-OG 3.38Å; S302-S305 PolarHBondContact OG-N 2.95Å; S302-S305 PolarHBondContact OG-OG 3.01Å; S302-L306 PolarHBondContact O-N 2.94Å
303E85.1Confident76Confident120 Ų12093.5 Ų93.556%0.56145%0.449SS*.Hα-helixtrans-57.9-35.7171.9-170-174.8170.700111.9L264 L306 V307L264-E303 HydrophobicContact CD2-CB 4.28Å; L264-E303 HydrophobicContact CD2-CG 4.39Å; E303-L306 WeakPolarHBondContact O-CB 3.45Å; E303-L306 PolarHBondContact O-N 3.41Å; E303-V307 WeakPolarHBondContact O-CG2 3.4Å; E303-V307 PolarHBondContact O-N 2.9Å
304K86.4Confident77.9Confident182 Ų18287 Ų8779%0.79142%0.422SS*.Hα-helixtrans-65.1-39.9177.3-69.1-177.7-179175.70112.4S302 V307 K308S302-K304 PolarHBondContact O-N 3.32Å; K304-V307 PolarHBondContact O-N 3.3Å; K304-K308 PolarHBondContact O-N 3.39Å
305S87.6Confident79.6Confident48 Ų4885.7 Ų85.734%0.33641%0.41SS..Hα-helixtrans-68.9-36.9175.348.40000111.3S302 V307 K308 L309S302-S305 PolarHBondContact N-OG 3.1Å; S302-S305 PolarHBondContact O-N 3.42Å; S302-S305 VanDerWaalsContact O-N 3.15Å; S302-S305 PolarHBondContact O-OG 3.38Å; S302-S305 PolarHBondContact OG-N 2.95Å; S302-S305 PolarHBondContact OG-OG 3.01Å; S305-V307 PolarHBondContact O-N 3.19Å; S305-K308 PolarHBondContact O-N 3.36Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.26Å
306L89Confident81.5Confident1 Ų176.6 Ų76.61%0.00537%0.369CS..Hα-helixtrans-62.6-40.2172-70.5172.2000112.5F138 V254 I258 L264 C267 V268 I271 P301 S302 E303 K308 L309 H310F138-L306 HydrophobicContact CE2-CB 4.03Å; F138-L306 HydrophobicContact CZ-CB 4.16Å; V254-L306 HydrophobicContact CG1-CD2 3.48Å; V254-L306 VanDerWaalsContact CG1-CD2 3.48Å; I258-L306 HydrophobicContact CD1-CD1 4.34Å; I258-L306 HydrophobicContact CD1-CD2 4.33Å; L264-L306 HydrophobicContact CB-CD1 3.8Å; L264-L306 HydrophobicContact CD1-CD1 3.78Å; L264-L306 HydrophobicContact CD2-CD1 4.06Å; L264-L306 HydrophobicContact CG-CD1 4.09Å; C267-L306 HydrophobicContact CB-CD1 4.24Å; V268-L306 HydrophobicContact CG2-CD2 4.2Å; I271-L306 HydrophobicContact CD1-CD2 4.32Å; P301-L306 HydrophobicContact CG-CD2 4.45Å; S302-L306 PolarHBondContact O-N 2.94Å; E303-L306 WeakPolarHBondContact O-CB 3.45Å; E303-L306 PolarHBondContact O-N 3.41Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-L309 PolarHBondContact O-N 3.44Å; L306-H310 VanDerWaalsContact O-CB 3.29Å; L306-H310 WeakPolarHBondContact O-CB 3.26Å; L306-H310 PolarHBondContact O-N 3.41Å
307V89.1Confident83.4Confident40 Ų4071 Ų7124%0.24235%0.347CS..Hα-helixtrans-63.8-40.4174.1168.30000111.3F138 E303 K304 S305 K311F138-V307 HydrophobicContact CD2-CG2 3.9Å; F138-V307 HydrophobicContact CE2-CG2 3.68Å; E303-V307 WeakPolarHBondContact O-CG2 3.4Å; E303-V307 PolarHBondContact O-N 2.9Å; K304-V307 PolarHBondContact O-N 3.3Å; S305-V307 PolarHBondContact O-N 3.19Å; V307-K311 WeakPolarHBondContact O-CB 3.25Å; V307-K311 PolarHBondContact O-N 3.47Å
308K90.1Very high85.1Confident153 Ų15365.1 Ų65.167%0.66532%0.32SS*.Hα-helixtrans-65.3-45175.9-171.6-177.3176.5-171.30111.2K304 S305 L306 K311 Q312K304-K308 PolarHBondContact O-N 3.39Å; S305-K308 PolarHBondContact O-N 3.36Å; L306-K308 VanDerWaalsContact C-N 3.34Å; K308-K311 WeakPolarHBondContact O-CB 3.32Å; K308-K311 PolarHBondContact O-N 3.37Å; K308-Q312 PolarHBondContact O-N 3.23Å
309L91.9Very high86.6Confident14 Ų1464 Ų647%0.07331%0.309CS..Hα-helixtrans-62.9-46.3176.9-17961.3000111.3E250 V251 V254 I271 S305 L306 K311 Q312 V313E250-L309 HydrophobicContact CB-CD1 3.78Å; V251-L309 HydrophobicContact CG2-CD1 4.2Å; V251-L309 HydrophobicContact CG2-CD2 4.19Å; V251-L309 HydrophobicContact CG2-CG 4.24Å; V254-L309 HydrophobicContact CB-CD2 4.13Å; V254-L309 HydrophobicContact CG1-CD2 4.42Å; V254-L309 HydrophobicContact CG2-CD2 3.72Å; I271-L309 HydrophobicContact CD1-CD2 4.43Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.26Å; L306-L309 PolarHBondContact O-N 3.44Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.08Å; L309-Q312 WeakPolarHBondContact O-CB 3.12Å; L309-Q312 PolarHBondContact O-N 2.96Å; L309-Q312 VanDerWaalsContact O-N 3.09Å; L309-V313 HydrophobicContact CD1-CG2 4.27Å; L309-V313 HydrophobicContact CG-CG2 4.42Å; L309-V313 WeakPolarHBondContact O-CG2 3.37Å; L309-V313 PolarHBondContact O-N 3.36Å
310H91.5Very high87.8Confident7 Ų758.3 Ų58.33%0.03228%0.28CS..Hα-helixtrans-57.7-43.4176-177-153.1000111.9G136 F138 I271 L306 V313 I314G136-H310 PolarHBondContact O-ND1 3.11Å; F138-H310 AromaticContact CD1-ND1 3.7Å; F138-H310 HydrophobicContact CE1-CB 3.89Å; F138-H310 AromaticContact CE1-CE1 3.97Å; F138-H310 AromaticContact CE1-CG 3.68Å; F138-H310 AromaticContact CE1-ND1 3.37Å; F138-H310 WeakPolarHBondContact CE1-ND1 3.43Å; F138-H310 HydrophobicContact CZ-CB 3.78Å; F138-H310 AromaticContact CZ-ND1 3.97Å; I271-H310 HydrophobicContact CD1-CB 4.03Å; I271-H310 HydrophobicContact CG1-CB 3.74Å; L306-H310 VanDerWaalsContact O-CB 3.29Å; L306-H310 WeakPolarHBondContact O-CB 3.26Å; L306-H310 PolarHBondContact O-N 3.41Å; H310-V313 PolarHBondContact O-N 3.33Å; H310-I314 VanDerWaalsContact O-CG1 3.3Å; H310-I314 WeakPolarHBondContact O-CG1 3.4Å; H310-I314 PolarHBondContact O-N 3.28Å; H310-I314 VanDerWaalsContact O-N 3.09Å
311K89.4Confident88.4Confident49 Ų4958.3 Ų58.321%0.21328%0.279CS..Hα-helixtrans-59.8-48.4173.8-175.9175.6179.2173.60111.1R134 V307 K308 L309 I314 Y315R134-K311 VanDerWaalsContact O-CE 3.23Å; R134-K311 WeakPolarHBondContact O-CE 3.17Å; V307-K311 WeakPolarHBondContact O-CB 3.25Å; V307-K311 PolarHBondContact O-N 3.47Å; K308-K311 WeakPolarHBondContact O-CB 3.32Å; K308-K311 PolarHBondContact O-N 3.37Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.08Å; K311-I314 PolarHBondContact O-N 3.27Å; K311-Y315 HydrophobicContact CD-CE2 4.29Å; K311-Y315 HydrophobicContact CG-CD2 3.8Å; K311-Y315 HydrophobicContact CG-CE2 3.61Å; K311-Y315 WeakPolarHBondContact O-CD2 3.41Å; K311-Y315 PolarHBondContact O-N 3.11Å; K311-Y315 VanDerWaalsContact O-N 3.12Å
312Q91.8Very high88.7Confident78 Ų7858.4 Ų58.436%0.36428%0.276SS..Hα-helixtrans-59.7-46.4179.1-176.9174.1-8.600112A247 K308 L309 I314 Y315 S316A247-Q312 HydrophobicContact CB-CG 4.35Å; K308-Q312 PolarHBondContact O-N 3.23Å; L309-Q312 WeakPolarHBondContact O-CB 3.12Å; L309-Q312 PolarHBondContact O-N 2.96Å; L309-Q312 VanDerWaalsContact O-N 3.09Å; Q312-I314 PolarHBondContact O-N 3.45Å; Q312-Y315 PolarHBondContact O-N 3.12Å; Q312-Y315 VanDerWaalsContact O-N 3.15Å; Q312-S316 PolarHBondContact O-N 3.24Å; Q312-S316 PolarHBondContact O-OG 3.28Å
313V92.4Very high88.9Confident0 Ų055.3 Ų55.30%025%0.254CS..Hα-helixtrans-58.9-46.2177.1170.40000111.6M248 V251 I271 K274 L309 H310 Y315 S316 V317M248-V313 HydrophobicContact CE-CG1 3.94Å; M248-V313 HydrophobicContact CE-CG2 4.08Å; V251-V313 HydrophobicContact CG2-CG2 3.4Å; V251-V313 VanDerWaalsContact CG2-CG2 3.4Å; I271-V313 HydrophobicContact CG2-CB 4.37Å; I271-V313 HydrophobicContact CG2-CG1 4.35Å; I271-V313 HydrophobicContact CG2-CG2 3.97Å; K274-V313 HydrophobicContact CB-CG1 4.28Å; L309-V313 HydrophobicContact CD1-CG2 4.27Å; L309-V313 HydrophobicContact CG-CG2 4.42Å; L309-V313 WeakPolarHBondContact O-CG2 3.37Å; L309-V313 PolarHBondContact O-N 3.36Å; H310-V313 PolarHBondContact O-N 3.33Å; V313-Y315 VanDerWaalsContact C-N 3.29Å; V313-Y315 PolarHBondContact O-N 2.95Å; V313-S316 PolarHBondContact O-N 3.31Å; V313-V317 HydrophobicContact CG1-CG2 4.16Å; V313-V317 WeakPolarHBondContact O-CB 3.47Å; V313-V317 VanDerWaalsContact O-CG2 3.23Å; V313-V317 WeakPolarHBondContact O-CG2 3.26Å; V313-V317 PolarHBondContact O-N 3.45Å
314I88.8Confident89.1Confident52 Ų5253.9 Ų53.927%0.26725%0.247SC..Hα-helixtrans-57-46.4176.7-68.8165.2000110.3H310 K311 Q312 Q318H310-I314 VanDerWaalsContact O-CG1 3.3Å; H310-I314 WeakPolarHBondContact O-CG1 3.4Å; H310-I314 PolarHBondContact O-N 3.28Å; H310-I314 VanDerWaalsContact O-N 3.09Å; K311-I314 PolarHBondContact O-N 3.27Å; Q312-I314 PolarHBondContact O-N 3.45Å; I314-Q318 VanDerWaalsContact O-CB 3.23Å; I314-Q318 WeakPolarHBondContact O-CB 3.34Å; I314-Q318 PolarHBondContact O-N 3.48Å; I314-Q318 VanDerWaalsContact O-N 3.12Å
315Y87.6Confident89.2Confident73 Ų7347 Ų4729%0.28622%0.221SC..Hα-helixtrans-65.9-48.6-180-82.2-63.8000113R134 K311 Q312 V313 Q318 R319R134-Y315 VanDerWaalsContact CB-OH 3.26Å; R134-Y315 WeakPolarHBondContact CB-OH 3.27Å; R134-Y315 WeakPolarHBondContact CD-OH 3.34Å; R134-Y315 HydrophobicContact CG-CE2 4.41Å; R134-Y315 WeakPolarHBondContact CG-OH 3.3Å; K311-Y315 HydrophobicContact CD-CE2 4.29Å; K311-Y315 HydrophobicContact CG-CD2 3.8Å; K311-Y315 HydrophobicContact CG-CE2 3.61Å; K311-Y315 WeakPolarHBondContact O-CD2 3.41Å; K311-Y315 PolarHBondContact O-N 3.11Å; K311-Y315 VanDerWaalsContact O-N 3.12Å; Q312-Y315 PolarHBondContact O-N 3.12Å; Q312-Y315 VanDerWaalsContact O-N 3.15Å; V313-Y315 VanDerWaalsContact C-N 3.29Å; V313-Y315 PolarHBondContact O-N 2.95Å; Y315-Q318 PolarHBondContact O-N 2.8Å; Y315-R319 VanDerWaalsContact O-CB 3.32Å; Y315-R319 WeakPolarHBondContact O-CB 3.2Å; Y315-R319 PolarHBondContact O-N 3.37Å
316S90.6Very high89.3Confident13 Ų1345.6 Ų45.69%0.09121%0.209CC..Hα-helixtrans-63.4-46.3-178.8-61.90000111.6N243 Q312 V313 Q318 R319 H320N243-S316 PolarHBondContact O-OG 3.37Å; N243-S316 VanDerWaalsContact O-OG 3.04Å; Q312-S316 PolarHBondContact O-N 3.24Å; Q312-S316 PolarHBondContact O-OG 3.28Å; V313-S316 PolarHBondContact O-N 3.31Å; S316-Q318 VanDerWaalsContact C-N 3.32Å; S316-Q318 PolarHBondContact O-N 3.34Å; S316-R319 PolarHBondContact O-N 3.28Å; S316-H320 WeakPolarHBondContact O-CB 3.48Å; S316-H320 PolarHBondContact O-N 3.02Å
317V90.5Very high89.4Confident32 Ų3245.7 Ų45.719%0.19421%0.209CC..Hα-helixtrans-60.6-43.1178171.30000111.1L244 P276 V313 R321L244-V317 HydrophobicContact CD1-CB 4.48Å; L244-V317 HydrophobicContact CD1-CG2 3.64Å; P276-V317 HydrophobicContact CG-CG2 4.35Å; V313-V317 HydrophobicContact CG1-CG2 4.16Å; V313-V317 WeakPolarHBondContact O-CB 3.47Å; V313-V317 VanDerWaalsContact O-CG2 3.23Å; V313-V317 WeakPolarHBondContact O-CG2 3.26Å; V313-V317 PolarHBondContact O-N 3.45Å; V317-R321 WeakPolarHBondContact O-CB 3.46Å; V317-R321 PolarHBondContact O-N 3.26Å
318Q86.3Confident89.5Confident58 Ų5847.8 Ų47.827%0.27122%0.216SC..Hα-helixtrans-68.5-41.7178.9-175.1171.514.100112.3I314 Y315 S316 R322 D470I314-Q318 VanDerWaalsContact O-CB 3.23Å; I314-Q318 WeakPolarHBondContact O-CB 3.34Å; I314-Q318 PolarHBondContact O-N 3.48Å; I314-Q318 VanDerWaalsContact O-N 3.12Å; Y315-Q318 PolarHBondContact O-N 2.8Å; S316-Q318 VanDerWaalsContact C-N 3.32Å; S316-Q318 PolarHBondContact O-N 3.34Å; Q318-R322 VanDerWaalsContact O-CB 3.26Å; Q318-R322 WeakPolarHBondContact O-CB 3.46Å; Q318-R322 PolarHBondContact O-N 3.23Å; Q318-D470 PolarHBondContact NE2-OD1 3.47Å; Q318-D470 PolarHBondContact OE1-OD1 3.16Å
319R86.8Confident89.4Confident58 Ų5842.4 Ų42.422%0.21919%0.194CC..Hα-helixtrans-62.9-46.1178.2-176.160.6166.8138.7-8.3110.9E236 A240 Y315 S316 R322 T323E236-R319 IonicContact OE2-CZ 3.43Å; E236-R319 IonicContact OE2-NH1 2.84Å; E236-R319 PolarHBondContact OE2-NH1 3.4Å; E236-R319 VanDerWaalsContact OE2-NH1 3.12Å; E236-R319 IonicContact OE2-NH2 2.77Å; E236-R319 PolarHBondContact OE2-NH2 3.41Å; A240-R319 HydrophobicContact CB-CG 3.81Å; Y315-R319 VanDerWaalsContact O-CB 3.32Å; Y315-R319 WeakPolarHBondContact O-CB 3.2Å; Y315-R319 PolarHBondContact O-N 3.37Å; S316-R319 PolarHBondContact O-N 3.28Å; R319-R322 PolarHBondContact O-N 2.68Å; R319-T323 WeakPolarHBondContact O-CG2 3.42Å; R319-T323 PolarHBondContact O-N 2.93Å; R319-T323 PolarHBondContact O-OG1 3.46Å
320H90.8Very high89.3Confident34 Ų3442.5 Ų42.516%0.15720%0.195CC..Hα-helixtrans-60.2-51176.2176.682.5000112L244 S316 R322 T323 Q324L244-H320 HydrophobicContact CB-CB 4.43Å; L244-H320 HydrophobicContact CD2-CB 3.8Å; S316-H320 WeakPolarHBondContact O-CB 3.48Å; S316-H320 PolarHBondContact O-N 3.02Å; H320-R322 VanDerWaalsContact C-N 3.26Å; H320-R322 PolarHBondContact O-N 3.02Å; H320-T323 PolarHBondContact O-N 3.46Å; H320-T323 PolarHBondContact O-OG1 3.26Å; H320-Q324 VanDerWaalsContact O-CB 3.3Å; H320-Q324 WeakPolarHBondContact O-CB 3.32Å; H320-Q324 PolarHBondContact O-N 2.91Å
321R86.6Confident89.4Confident119 Ų11942.4 Ų42.445%0.44919%0.194SC..Hα-helixtrans-58.4-41.3177.7-175.5-178.7-176.11499.9111.8K29 V317 Q324 V325K29-R321 VanDerWaalsContact NZ-CZ 3.27Å; K29-R321 VanDerWaalsContact NZ-NH2 3.11Å; V317-R321 WeakPolarHBondContact O-CB 3.46Å; V317-R321 PolarHBondContact O-N 3.26Å; R321-Q324 PolarHBondContact O-N 3.49Å; R321-V325 WeakPolarHBondContact O-CG2 3.48Å; R321-V325 PolarHBondContact O-N 3.33Å
322R85.8Confident89.4Confident30 Ų3045.1 Ų45.111%0.11321%0.208CC..Hα-helixtrans-63.2-52.5179-179.2177.775.3-171.65.2111.3Q318 R319 H320 Q324 V325 Q326 A464 Q468Q318-R322 VanDerWaalsContact O-CB 3.26Å; Q318-R322 WeakPolarHBondContact O-CB 3.46Å; Q318-R322 PolarHBondContact O-N 3.23Å; R319-R322 PolarHBondContact O-N 2.68Å; H320-R322 VanDerWaalsContact C-N 3.26Å; H320-R322 PolarHBondContact O-N 3.02Å; R322-Q324 VanDerWaalsContact C-N 3.25Å; R322-Q324 PolarHBondContact O-N 3.26Å; R322-V325 PolarHBondContact O-N 3.47Å; R322-Q326 HydrophobicContact CG-CG 4.4Å; R322-Q326 WeakPolarHBondContact O-CB 3.43Å; R322-Q326 VanDerWaalsContact O-CG 3.25Å; R322-Q326 WeakPolarHBondContact O-CG 3.37Å; R322-Q326 PolarHBondContact O-N 2.97Å; R322-Q326 PolarHBondContact O-OE1 3.42Å; R322-A464 HydrophobicContact CG-CB 4.46Å; R322-Q468 HydrophobicContact CG-CB 4.21Å
323T89.4Confident89.4Confident0 Ų045.1 Ų45.10%021%0.208CC..Hα-helixtrans-62.8-36.1-179.751.90000111.1A240 R319 H320 Q326 W327A240-T323 HydrophobicContact CB-CG2 4.11Å; R319-T323 WeakPolarHBondContact O-CG2 3.42Å; R319-T323 PolarHBondContact O-N 2.93Å; R319-T323 PolarHBondContact O-OG1 3.46Å; H320-T323 PolarHBondContact O-N 3.46Å; H320-T323 PolarHBondContact O-OG1 3.26Å; T323-Q326 PolarHBondContact O-N 3.32Å; T323-W327 VanDerWaalsContact O-CB 3.29Å; T323-W327 WeakPolarHBondContact O-CB 3.31Å; T323-W327 PolarHBondContact O-N 2.91Å
324Q89.9Confident89.4Confident90 Ų9045.1 Ų45.142%0.42121%0.208SC..Hα-helixtrans-63-46.9174.4-169.3-178.219.600112.7H320 R321 R322 W327 Q328H320-Q324 VanDerWaalsContact O-CB 3.3Å; H320-Q324 WeakPolarHBondContact O-CB 3.32Å; H320-Q324 PolarHBondContact O-N 2.91Å; R321-Q324 PolarHBondContact O-N 3.49Å; R322-Q324 VanDerWaalsContact C-N 3.25Å; R322-Q324 PolarHBondContact O-N 3.26Å; Q324-W327 WeakPolarHBondContact O-CB 3.19Å; Q324-W327 PolarHBondContact O-N 3.33Å; Q324-Q328 WeakPolarHBondContact O-CG 3.49Å; Q324-Q328 PolarHBondContact O-N 3.14Å; Q324-Q328 VanDerWaalsContact O-N 3.17Å
325V88.3Confident89.6Confident39 Ų3943 Ų4324%0.23620%0.197CC..Hα-helixtrans-66.9-41.9177.7171.10000111.2R321 R322 W327 Q328 I329 Q468R321-V325 WeakPolarHBondContact O-CG2 3.48Å; R321-V325 PolarHBondContact O-N 3.33Å; R322-V325 PolarHBondContact O-N 3.47Å; V325-W327 VanDerWaalsContact C-N 3.27Å; V325-W327 PolarHBondContact O-N 3.41Å; V325-Q328 PolarHBondContact O-N 3.21Å; V325-I329 HydrophobicContact CG1-CD1 3.75Å; V325-I329 HydrophobicContact CG1-CG1 4.49Å; V325-I329 WeakPolarHBondContact O-CD1 3.45Å; V325-I329 WeakPolarHBondContact O-CG1 3.37Å; V325-I329 PolarHBondContact O-N 3.07Å; V325-Q468 HydrophobicContact CB-CG 3.84Å; V325-Q468 HydrophobicContact CG1-CG 3.57Å; V325-Q468 HydrophobicContact CG2-CG 4.26Å
326Q88.4Confident89.7Confident18 Ų1842.4 Ų42.48%0.08419%0.194CC..Hα-helixtrans-60.4-39.7175.3-71.7176.2-61.400111.9L233 R322 T323 Q328 I329 L330 Y462L233-Q326 HydrophobicContact CD1-CB 4.21Å; L233-Q326 HydrophobicContact CD2-CB 3.84Å; R322-Q326 HydrophobicContact CG-CG 4.4Å; R322-Q326 WeakPolarHBondContact O-CB 3.43Å; R322-Q326 VanDerWaalsContact O-CG 3.25Å; R322-Q326 WeakPolarHBondContact O-CG 3.37Å; R322-Q326 PolarHBondContact O-N 2.97Å; R322-Q326 PolarHBondContact O-OE1 3.42Å; T323-Q326 PolarHBondContact O-N 3.32Å; Q326-Q328 VanDerWaalsContact C-N 3.34Å; Q326-I329 PolarHBondContact O-N 2.68Å; Q326-L330 VanDerWaalsContact O-CB 3.3Å; Q326-L330 WeakPolarHBondContact O-CB 3.46Å; Q326-L330 PolarHBondContact O-N 2.92Å; Q326-Y462 VanDerWaalsContact NE2-CZ 3.33Å; Q326-Y462 PolarHBondContact NE2-OH 3.35Å
327W91.7Very high89.7Confident3 Ų342.6 Ų42.61%0.01119%0.194CC..Hα-helixtrans-59.3-47176.2179.4-111.2000110.8A230 L233 M234 K237 T323 Q324 V325 L330 L331 L578 I579 E582A230-W327 HydrophobicContact CB-CH2 4.3Å; A230-W327 HydrophobicContact CB-CZ3 3.94Å; A230-W327 WeakPolarHBondContact O-CZ3 3.33Å; L233-W327 HydrophobicContact CD2-CB 4.46Å; L233-W327 HydrophobicContact CD2-CE3 4.22Å; L233-W327 HydrophobicContact CG-CE3 4.37Å; M234-W327 HydrophobicContact CE-CZ2 4.3Å; M234-W327 HydrophobicContact CG-CD2 4.46Å; M234-W327 HydrophobicContact CG-CE3 3.86Å; M234-W327 HydrophobicContact CG-CH2 3.26Å; M234-W327 HydrophobicContact CG-CZ2 3.91Å; M234-W327 HydrophobicContact CG-CZ3 3.24Å; M234-W327 HydrophobicContact SD-CD2 3.53Å; M234-W327 VanDerWaalsContact SD-CD2 3.53Å; M234-W327 HydrophobicContact SD-CE3 3.51Å; M234-W327 VanDerWaalsContact SD-CE3 3.51Å; M234-W327 HydrophobicContact SD-CG 4.43Å; M234-W327 HydrophobicContact SD-CH2 3.33Å; M234-W327 WeakPolarHBondContact SD-CH2 3.31Å; M234-W327 HydrophobicContact SD-CZ2 3.31Å; M234-W327 WeakPolarHBondContact SD-CZ2 3.34Å; M234-W327 HydrophobicContact SD-CZ3 3.44Å; M234-W327 WeakPolarHBondContact SD-CZ3 3.08Å; K237-W327 HydrophobicContact CD-CB 4.28Å; K237-W327 HydrophobicContact CD-CG 4.19Å; T323-W327 VanDerWaalsContact O-CB 3.29Å; T323-W327 WeakPolarHBondContact O-CB 3.31Å; T323-W327 PolarHBondContact O-N 2.91Å; Q324-W327 WeakPolarHBondContact O-CB 3.19Å; Q324-W327 PolarHBondContact O-N 3.33Å; V325-W327 VanDerWaalsContact C-N 3.27Å; V325-W327 PolarHBondContact O-N 3.41Å; W327-L330 PolarHBondContact O-N 3Å; W327-L331 HydrophobicContact CD2-CG 4.34Å; W327-L331 HydrophobicContact CH2-CD2 4.14Å; W327-L331 HydrophobicContact CZ2-CD1 4.42Å; W327-L331 HydrophobicContact CZ2-CD2 3.68Å; W327-L331 HydrophobicContact CZ2-CG 4.17Å; W327-L331 WeakPolarHBondContact O-CG 3.42Å; W327-L331 PolarHBondContact O-N 3.26Å; W327-L578 HydrophobicContact CH2-CB 4.44Å; W327-I579 HydrophobicContact CH2-CD1 4.41Å; W327-E582 HydrophobicContact CZ2-CG 3.95Å
328Q90.5Very high89.8Confident84 Ų8442 Ų4239%0.39319%0.189SC..Hα-helixtrans-61.7-46.3177.8-65-59.3-2400112.7Q324 V325 Q326 L330 L331 E332Q324-Q328 WeakPolarHBondContact O-CG 3.49Å; Q324-Q328 PolarHBondContact O-N 3.14Å; Q324-Q328 VanDerWaalsContact O-N 3.17Å; V325-Q328 PolarHBondContact O-N 3.21Å; Q326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-L330 VanDerWaalsContact C-N 3.28Å; Q328-L330 PolarHBondContact O-N 2.84Å; Q328-L331 WeakPolarHBondContact O-CB 3.24Å; Q328-L331 PolarHBondContact O-N 2.71Å; Q328-E332 WeakPolarHBondContact O-CG 3.03Å; Q328-E332 PolarHBondContact O-N 3.49Å
329I88.5Confident89.9Confident39 Ų3939.5 Ų39.520%0.218%0.178CC..Hα-helixtrans-60.7-41.1177.4-65.2155.6000110.8V325 Q326 E332 Q333 H466V325-I329 HydrophobicContact CG1-CD1 3.75Å; V325-I329 HydrophobicContact CG1-CG1 4.49Å; V325-I329 WeakPolarHBondContact O-CD1 3.45Å; V325-I329 WeakPolarHBondContact O-CG1 3.37Å; V325-I329 PolarHBondContact O-N 3.07Å; Q326-I329 PolarHBondContact O-N 2.68Å; I329-E332 PolarHBondContact O-N 3.06Å; I329-Q333 WeakPolarHBondContact O-CB 3.21Å; I329-Q333 PolarHBondContact O-N 2.88Å; I329-H466 HydrophobicContact CD1-CB 4.04Å; I329-H466 WeakPolarHBondContact CD1-CD2 3.38Å
330L90.9Very high90Very high16 Ų1637.8 Ų37.88%0.08417%0.174CC..Hα-helixtrans-69.3-36.9179.7-167.568.9000111.8T226 K229 A230 L233 Q326 W327 Q328 Q333 A334T226-L330 HydrophobicContact CG2-CD1 3.84Å; T226-L330 HydrophobicContact CG2-CG 4.22Å; K229-L330 HydrophobicContact CB-CD1 4.28Å; K229-L330 HydrophobicContact CB-CD2 4.15Å; A230-L330 VanDerWaalsContact CA-CD2 3.46Å; A230-L330 HydrophobicContact CB-CD2 3.91Å; L233-L330 HydrophobicContact CB-CD2 4.24Å; L233-L330 HydrophobicContact CD2-CB 4.23Å; L233-L330 HydrophobicContact CD2-CD2 3.73Å; Q326-L330 VanDerWaalsContact O-CB 3.3Å; Q326-L330 WeakPolarHBondContact O-CB 3.46Å; Q326-L330 PolarHBondContact O-N 2.92Å; W327-L330 PolarHBondContact O-N 3Å; Q328-L330 VanDerWaalsContact C-N 3.28Å; Q328-L330 PolarHBondContact O-N 2.84Å; L330-Q333 PolarHBondContact O-N 2.82Å; L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 3.45Å
331L92.2Very high90Very high5 Ų537.9 Ų37.93%0.02618%0.18CC..Hα-helixtrans-60.7-48.6171.8-74.5-177.4000111.2W327 Q328 Q333 A334 F335 I579 E582W327-L331 HydrophobicContact CD2-CG 4.34Å; W327-L331 HydrophobicContact CH2-CD2 4.14Å; W327-L331 HydrophobicContact CZ2-CD1 4.42Å; W327-L331 HydrophobicContact CZ2-CD2 3.68Å; W327-L331 HydrophobicContact CZ2-CG 4.17Å; W327-L331 WeakPolarHBondContact O-CG 3.42Å; W327-L331 PolarHBondContact O-N 3.26Å; Q328-L331 WeakPolarHBondContact O-CB 3.24Å; Q328-L331 PolarHBondContact O-N 2.71Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 3.2Å; L331-A334 WeakPolarHBondContact O-CB 3.44Å; L331-A334 PolarHBondContact O-N 3.46Å; L331-A334 VanDerWaalsContact O-N 3.14Å; L331-F335 HydrophobicContact CB-CE2 4.2Å; L331-F335 HydrophobicContact CB-CZ 4.38Å; L331-F335 HydrophobicContact CD2-CZ 4.37Å; L331-F335 WeakPolarHBondContact O-CD2 3.34Å; L331-F335 VanDerWaalsContact O-CG 3.23Å; L331-F335 WeakPolarHBondContact O-CG 3.49Å; L331-F335 PolarHBondContact O-N 3.38Å; L331-I579 HydrophobicContact CD2-CD1 3.39Å; L331-E582 HydrophobicContact CD1-CB 4.21Å; L331-E582 HydrophobicContact CD1-CG 4.27Å; L331-E582 HydrophobicContact CD2-CB 3.96Å; L331-E582 HydrophobicContact CD2-CG 4.23Å
332E90.3Very high90.1Very high107 Ų10737.3 Ų37.350%0.518%0.181SC..Hα-helixtrans-59.9-44.8177.3-72.4175.6178.700111.4Q328 I329 A334 F335 Y336Q328-E332 WeakPolarHBondContact O-CG 3.03Å; Q328-E332 PolarHBondContact O-N 3.49Å; I329-E332 PolarHBondContact O-N 3.06Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 2.9Å; E332-F335 PolarHBondContact O-N 2.96Å; E332-Y336 VanDerWaalsContact O-CB 3.31Å; E332-Y336 WeakPolarHBondContact O-CB 3.28Å; E332-Y336 PolarHBondContact O-N 2.7Å
333Q90.9Very high90.2Very high78 Ų7836.3 Ų36.336%0.36418%0.178SC..Hα-helixtrans-61.8-40.1174.8-173.8178.2-2.200111.8I329 L330 L331 L337I329-Q333 WeakPolarHBondContact O-CB 3.21Å; I329-Q333 PolarHBondContact O-N 2.88Å; L330-Q333 PolarHBondContact O-N 2.82Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 3.2Å; Q333-L337 HydrophobicContact CG-CD1 3.92Å; Q333-L337 HydrophobicContact CG-CG 4.47Å; Q333-L337 WeakPolarHBondContact O-CB 3.27Å; Q333-L337 WeakPolarHBondContact O-CD1 3.37Å; Q333-L337 WeakPolarHBondContact O-CG 3.42Å; Q333-L337 PolarHBondContact O-N 3.4Å
334A92.9Very high90Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-64.9-47.8177.900000111.4T226 L330 L331 E332 Y336 L337 E338 I579T226-A334 HydrophobicContact CG2-CB 3.67Å; L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 3.45Å; L331-A334 WeakPolarHBondContact O-CB 3.44Å; L331-A334 PolarHBondContact O-N 3.46Å; L331-A334 VanDerWaalsContact O-N 3.14Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 2.9Å; A334-Y336 PolarHBondContact O-N 2.98Å; A334-L337 PolarHBondContact O-N 2.87Å; A334-E338 WeakPolarHBondContact O-CG 3.48Å; A334-E338 PolarHBondContact O-N 3.03Å; A334-I579 HydrophobicContact CB-CD1 3.8Å; A334-I579 HydrophobicContact CB-CG1 4.03Å; A334-I579 HydrophobicContact CB-CG2 4.01Å
335F91.9Very high89.8Confident8 Ų840.7 Ų40.74%0.03521%0.207CC..Hα-helixtrans-61.4-45.1178.3-60.9-26.8000111.7L331 E332 L337 E338 D339 F355 I579 K583L331-F335 HydrophobicContact CB-CE2 4.2Å; L331-F335 HydrophobicContact CB-CZ 4.38Å; L331-F335 HydrophobicContact CD2-CZ 4.37Å; L331-F335 WeakPolarHBondContact O-CD2 3.34Å; L331-F335 VanDerWaalsContact O-CG 3.23Å; L331-F335 WeakPolarHBondContact O-CG 3.49Å; L331-F335 PolarHBondContact O-N 3.38Å; E332-F335 PolarHBondContact O-N 2.96Å; F335-L337 VanDerWaalsContact C-N 3.34Å; F335-L337 PolarHBondContact O-N 3.04Å; F335-E338 WeakPolarHBondContact O-CB 3.22Å; F335-E338 PolarHBondContact O-N 2.79Å; F335-D339 VanDerWaalsContact O-CG 3.27Å; F335-D339 PolarHBondContact O-N 3.49Å; F335-F355 HydrophobicContact CB-CD2 4.24Å; F335-F355 HydrophobicContact CB-CE2 4.4Å; F335-F355 HydrophobicContact CD1-CE2 4.2Å; F335-F355 AromaticContact CD2-CD2 3.74Å; F335-F355 HydrophobicContact CD2-CD2 3.74Å; F335-F355 AromaticContact CD2-CE2 3.57Å; F335-F355 HydrophobicContact CD2-CE2 3.57Å; F335-F355 HydrophobicContact CE1-CE2 4.38Å; F335-F355 HydrophobicContact CE2-CD2 4.3Å; F335-F355 AromaticContact CE2-CE2 3.77Å; F335-F355 HydrophobicContact CE2-CE2 3.77Å; F335-F355 HydrophobicContact CE2-CZ 4.49Å; F335-F355 HydrophobicContact CG-CD2 4.06Å; F335-F355 AromaticContact CG-CE2 3.81Å; F335-F355 HydrophobicContact CG-CE2 3.81Å; F335-F355 HydrophobicContact CZ-CE2 4.18Å; F335-I579 HydrophobicContact CD1-CG2 4.01Å; F335-I579 HydrophobicContact CE1-CG2 3.68Å; F335-K583 HydrophobicContact CD1-CD 4.37Å; F335-K583 HydrophobicContact CD1-CG 4.45Å; F335-K583 HydrophobicContact CE1-CB 3.69Å; F335-K583 HydrophobicContact CE1-CD 4.31Å; F335-K583 HydrophobicContact CE1-CG 4.02Å; F335-K583 HydrophobicContact CZ-CB 4.12Å
336Y90.4Very high89.6Confident60 Ų6041 Ų4124%0.23521%0.211CC..Hα-helixtrans-57.6-45.9175.5177.2-96.8000112.3E332 A334 D339 V340 F351 E378E332-Y336 VanDerWaalsContact O-CB 3.31Å; E332-Y336 WeakPolarHBondContact O-CB 3.28Å; E332-Y336 PolarHBondContact O-N 2.7Å; A334-Y336 PolarHBondContact O-N 2.98Å; Y336-D339 WeakPolarHBondContact O-CB 3.11Å; Y336-D339 PolarHBondContact O-N 3.38Å; Y336-V340 HydrophobicContact CD1-CG2 4.18Å; Y336-V340 HydrophobicContact CE1-CG2 3.67Å; Y336-V340 HydrophobicContact CE2-CG2 4.43Å; Y336-V340 WeakPolarHBondContact O-CG2 3.07Å; Y336-V340 PolarHBondContact O-N 2.92Å; Y336-F351 HydrophobicContact CE2-CZ 4.29Å; Y336-E378 VanDerWaalsContact OH-CG 3.24Å; Y336-E378 WeakPolarHBondContact OH-CG 3.11Å; Y336-E378 PolarHBondContact OH-OE1 2.98Å; Y336-E378 PolarHBondContact OH-OE2 3.2Å
337L90.6Very high89.1Confident17 Ų1745.2 Ų45.29%0.08925%0.249CC..Hα-helixtrans-71-32-179.9-68.5170000112.9L222 L223 T226 Q333 A334 F335 D339 A341L222-L337 HydrophobicContact CB-CD1 4.39Å; L222-L337 HydrophobicContact CB-CD2 4.48Å; L222-L337 HydrophobicContact CD2-CD1 4.1Å; L222-L337 HydrophobicContact CD2-CD2 3.69Å; L222-L337 HydrophobicContact CG-CD1 3.75Å; L222-L337 HydrophobicContact CG-CD2 4.13Å; L223-L337 HydrophobicContact CB-CB 4.29Å; L223-L337 HydrophobicContact CD1-CB 3.8Å; T226-L337 WeakPolarHBondContact OG1-CD1 3.36Å; Q333-L337 HydrophobicContact CG-CD1 3.92Å; Q333-L337 HydrophobicContact CG-CG 4.47Å; Q333-L337 WeakPolarHBondContact O-CB 3.27Å; Q333-L337 WeakPolarHBondContact O-CD1 3.37Å; Q333-L337 WeakPolarHBondContact O-CG 3.42Å; Q333-L337 PolarHBondContact O-N 3.4Å; A334-L337 PolarHBondContact O-N 2.87Å; F335-L337 VanDerWaalsContact C-N 3.34Å; F335-L337 PolarHBondContact O-N 3.04Å; L337-D339 VanDerWaalsContact C-N 3.31Å; L337-A341 WeakPolarHBondContact O-CB 3.32Å; L337-A341 PolarHBondContact O-N 3.38Å
338E91.8Very high88.5Confident19 Ų1948.7 Ų48.79%0.08927%0.271CS..Hα-helixtrans-62.4-40.4168.9-75.7-174.2166.300111.3L223 Y227 A334 F335 A341 K342 K583L223-E338 HydrophobicContact CD1-CG 4Å; Y227-E338 WeakPolarHBondContact OH-CG 3.19Å; Y227-E338 PolarHBondContact OH-OE1 3.43Å; A334-E338 WeakPolarHBondContact O-CG 3.48Å; A334-E338 PolarHBondContact O-N 3.03Å; F335-E338 WeakPolarHBondContact O-CB 3.22Å; F335-E338 PolarHBondContact O-N 2.79Å; E338-A341 PolarHBondContact O-N 3.2Å; E338-K342 VanDerWaalsContact O-CG 3.32Å; E338-K342 WeakPolarHBondContact O-CG 3.29Å; E338-K342 PolarHBondContact O-N 3.36Å; E338-K583 IonicContact OE2-NZ 2.79Å; E338-K583 PolarHBondContact OE2-NZ 2.92Å
339D90.3Very high88.1Confident6 Ų652 Ų523%0.03228%0.28CS..Hα-helixtrans-67.6-44.1178.9-68.7-14.7000111.4F335 Y336 L337 A341 K342 N343 F351 T354F335-D339 VanDerWaalsContact O-CG 3.27Å; F335-D339 PolarHBondContact O-N 3.49Å; Y336-D339 WeakPolarHBondContact O-CB 3.11Å; Y336-D339 PolarHBondContact O-N 3.38Å; L337-D339 VanDerWaalsContact C-N 3.31Å; D339-A341 VanDerWaalsContact C-N 3.3Å; D339-A341 PolarHBondContact O-N 3.45Å; D339-K342 PolarHBondContact O-N 3.41Å; D339-N343 WeakPolarHBondContact O-CB 3.32Å; D339-N343 VanDerWaalsContact O-CG 3.29Å; D339-N343 PolarHBondContact O-N 3.47Å; D339-N343 PolarHBondContact O-ND2 3.2Å; D339-N343 VanDerWaalsContact O-ND2 3.12Å; D339-F351 HydrophobicContact CB-CE1 4.5Å; D339-F351 HydrophobicContact CB-CZ 4.3Å; D339-T354 VanDerWaalsContact OD1-CB 3.3Å; D339-T354 WeakPolarHBondContact OD1-CB 3.47Å; D339-T354 PolarHBondContact OD1-OG1 2.96Å; D339-T354 PolarHBondContact OD2-N 3.01Å
340V88.6Confident87.8Confident21 Ų2155.4 Ų55.413%0.12730%0.295CS..Hα-helixtrans-56.1-46.4171.6174.70000110.7Y336 K342 N343 E344 F351Y336-V340 HydrophobicContact CD1-CG2 4.18Å; Y336-V340 HydrophobicContact CE1-CG2 3.67Å; Y336-V340 HydrophobicContact CE2-CG2 4.43Å; Y336-V340 WeakPolarHBondContact O-CG2 3.07Å; Y336-V340 PolarHBondContact O-N 2.92Å; V340-K342 PolarHBondContact O-N 3Å; V340-N343 PolarHBondContact O-N 3.32Å; V340-E344 WeakPolarHBondContact O-CB 3.09Å; V340-E344 PolarHBondContact O-N 2.96Å; V340-F351 HydrophobicContact CG2-CE2 3.86Å; V340-F351 HydrophobicContact CG2-CZ 3.92Å
341A89.8Confident87.4Confident36 Ų3655 Ų5530%0.29829%0.292SS..Hα-helixtrans-65-37-179.200000112.8L223 L337 E338 D339L223-A341 HydrophobicContact CD2-CB 4.15Å; L337-A341 WeakPolarHBondContact O-CB 3.32Å; L337-A341 PolarHBondContact O-N 3.38Å; E338-A341 PolarHBondContact O-N 3.2Å; D339-A341 VanDerWaalsContact C-N 3.3Å; D339-A341 PolarHBondContact O-N 3.45Å
342K89.1Confident87Confident107 Ų10758.9 Ų58.947%0.46532%0.316SS..Hα-helixtrans-71.1-40.6174.7-72.2173.7179.5-174.90112.6E338 D339 V340 E344 T345 S346E338-K342 VanDerWaalsContact O-CG 3.32Å; E338-K342 WeakPolarHBondContact O-CG 3.29Å; E338-K342 PolarHBondContact O-N 3.36Å; D339-K342 PolarHBondContact O-N 3.41Å; V340-K342 PolarHBondContact O-N 3Å; K342-E344 VanDerWaalsContact C-N 3.29Å; K342-E344 PolarHBondContact O-N 3.36Å; K342-T345 PolarHBondContact O-N 2.97Å; K342-T345 PolarHBondContact O-OG1 3.45Å; K342-S346 PolarHBondContact O-N 2.89Å
343N87.6Confident86.6Confident10 Ų1056.5 Ų56.55%0.05331%0.305CS..Hα-helixtrans-71.8-26.8179.9-72.4-36.3000112.1D339 V340 T345 F351 V352 W375D339-N343 WeakPolarHBondContact O-CB 3.32Å; D339-N343 VanDerWaalsContact O-CG 3.29Å; D339-N343 PolarHBondContact O-N 3.47Å; D339-N343 PolarHBondContact O-ND2 3.2Å; D339-N343 VanDerWaalsContact O-ND2 3.12Å; V340-N343 PolarHBondContact O-N 3.32Å; N343-T345 VanDerWaalsContact C-N 3.33Å; N343-F351 HydrophobicContact CB-CD2 4.22Å; N343-F351 HydrophobicContact CB-CE2 4.38Å; N343-F351 WeakPolarHBondContact ND2-CD2 3.37Å; N343-V352 PolarHBondContact ND2-N 2.87Å; N343-V352 VanDerWaalsContact ND2-N 3.12Å; N343-V352 PolarHBondContact ND2-O 3.48Å; N343-V352 PolarHBondContact OD1-N 2.75Å; N343-W375 PolarHBondContact O-NE1 3.13Å
344E85.6Confident86.1Confident59 Ų5955.5 Ų55.528%0.27630%0.304SS..Hα-helixtrans-67.3-34.1172.4-165.6-173.3159.500112.1R219 V340 K342R219-E344 WeakPolarHBondContact CD-OE1 3.43Å; R219-E344 IonicContact CZ-OE1 2.7Å; R219-E344 IonicContact NE-OE1 3.77Å; R219-E344 PolarHBondContact NE-OE1 3.17Å; R219-E344 IonicContact NH1-OE1 2.98Å; R219-E344 PolarHBondContact NH1-OE1 2.9Å; R219-E344 IonicContact NH2-OE1 2.87Å; V340-E344 WeakPolarHBondContact O-CB 3.09Å; V340-E344 PolarHBondContact O-N 2.96Å; K342-E344 VanDerWaalsContact C-N 3.29Å; K342-E344 PolarHBondContact O-N 3.36Å
345T85.9Confident85.4Confident122 Ų12256.3 Ų56.375%0.74831%0.307SS*.Hα-helixtrans-87.5-15.5177.758.30000113.5K342 N343K342-T345 PolarHBondContact O-N 2.97Å; K342-T345 PolarHBondContact O-OG1 3.45Å; N343-T345 VanDerWaalsContact C-N 3.33Å
346S84.6Confident84Confident46 Ų4665.1 Ų65.132%0.32235%0.349SS..  trans-70.8141.2178.4-170.70000112.3K342 T348K342-S346 PolarHBondContact O-N 2.89Å; S346-T348 PolarHBondContact O-N 3.17Å; S346-T348 PolarHBondContact OG-N 3.35Å; S346-T348 PolarHBondContact OG-OG1 3.2Å
347A77.9Confident82.4Confident106 Ų10665.6 Ų65.688%0.87636%0.361SS*.SBendtrans-71.7-21.1173.100000112.6
348T77.9Confident80.6Confident77 Ų7770.8 Ų70.847%0.47240%0.395SS..SBendtrans-84.5118.9178.758.10000110S346 Q350S346-T348 PolarHBondContact O-N 3.17Å; S346-T348 PolarHBondContact OG-N 3.35Å; S346-T348 PolarHBondContact OG-OG1 3.2Å; T348-Q350 PolarHBondContact O-N 2.89Å
349R81.4Confident78.5Confident153 Ų15377.5 Ų77.558%0.57743%0.427SS*.  trans-75.943.6176.9-61.5-176.9-176.51712.8113W375 Y376R349-W375 HydrophobicContact CB-CD2 4.24Å; R349-W375 HydrophobicContact CB-CE3 4.22Å; R349-W375 HydrophobicContact CG-CE3 4.36Å; R349-W375 HydrophobicContact CG-CH2 4.27Å; R349-W375 HydrophobicContact CG-CZ2 4.43Å; R349-W375 HydrophobicContact CG-CZ3 4.23Å; R349-Y376 PolarHBondContact NH1-OH 3.36Å
350Q83.3Confident76.6Confident111 Ų11180.3 Ų80.352%0.51945%0.446SS..SBendtrans-124.8128.7178.1-69.9-177.7-20.100107.7T348 V352 T372T348-Q350 PolarHBondContact O-N 2.89Å; Q350-V352 PolarHBondContact O-N 3.05Å; Q350-T372 HydrophobicContact CG-CG2 4.06Å
351F82.9Confident74.8Confident8 Ų888.8 Ų88.84%0.03548%0.484CS..  trans-75.8118.2177-163.1-81.8000110Y336 D339 V340 N343 H353 P371 E374 W375 E378Y336-F351 HydrophobicContact CE2-CZ 4.29Å; D339-F351 HydrophobicContact CB-CE1 4.5Å; D339-F351 HydrophobicContact CB-CZ 4.3Å; V340-F351 HydrophobicContact CG2-CE2 3.86Å; V340-F351 HydrophobicContact CG2-CZ 3.92Å; N343-F351 HydrophobicContact CB-CD2 4.22Å; N343-F351 HydrophobicContact CB-CE2 4.38Å; N343-F351 WeakPolarHBondContact ND2-CD2 3.37Å; F351-H353 AromaticContact CD1-CD2 3.55Å; F351-H353 AromaticContact CD1-CE1 3.7Å; F351-H353 AromaticContact CD1-NE2 3.27Å; F351-H353 VanDerWaalsContact CD1-NE2 3.27Å; F351-H353 WeakPolarHBondContact CD1-NE2 3.03Å; F351-H353 AromaticContact CE1-CD2 3.75Å; F351-H353 AromaticContact CE1-CE1 3.27Å; F351-H353 WeakPolarHBondContact CE1-CE1 3.25Å; F351-H353 AromaticContact CE1-CG 3.84Å; F351-H353 AromaticContact CE1-ND1 3.58Å; F351-H353 AromaticContact CE1-NE2 3.38Å; F351-H353 WeakPolarHBondContact CE1-NE2 3.4Å; F351-P371 WeakPolarHBondContact CB-O 3.29Å; F351-P371 PolarHBondContact N-O 2.93Å; F351-E374 HydrophobicContact CB-CB 4.08Å; F351-E374 HydrophobicContact CB-CG 3.97Å; F351-E374 HydrophobicContact CD1-CG 4.23Å; F351-E374 HydrophobicContact CD2-CG 4.26Å; F351-E374 HydrophobicContact CG-CG 3.88Å; F351-W375 HydrophobicContact CB-CB 4.28Å; F351-E378 HydrophobicContact CE2-CB 4.29Å
352V83.1Confident73.2Confident86 Ų8691.7 Ų91.752%0.52149%0.494SS..  trans-109.7124.5176.6-1770000109.3N343 Q350N343-V352 PolarHBondContact ND2-N 2.87Å; N343-V352 VanDerWaalsContact ND2-N 3.12Å; N343-V352 PolarHBondContact ND2-O 3.48Å; N343-V352 PolarHBondContact OD1-N 2.75Å; Q350-V352 PolarHBondContact O-N 3.05Å
353H82.5Confident71.7Confident57 Ų5796.9 Ų96.926%0.26451%0.511SS..  trans-89.5136.3175.3-66.2-95.6000110F351 F355 E374F351-H353 AromaticContact CD1-CD2 3.55Å; F351-H353 AromaticContact CD1-CE1 3.7Å; F351-H353 AromaticContact CD1-NE2 3.27Å; F351-H353 VanDerWaalsContact CD1-NE2 3.27Å; F351-H353 WeakPolarHBondContact CD1-NE2 3.03Å; F351-H353 AromaticContact CE1-CD2 3.75Å; F351-H353 AromaticContact CE1-CE1 3.27Å; F351-H353 WeakPolarHBondContact CE1-CE1 3.25Å; F351-H353 AromaticContact CE1-CG 3.84Å; F351-H353 AromaticContact CE1-ND1 3.58Å; F351-H353 AromaticContact CE1-NE2 3.38Å; F351-H353 WeakPolarHBondContact CE1-NE2 3.4Å; H353-F355 WeakPolarHBondContact CB-O 3.48Å; H353-E374 IonicContact CE1-OE1 3.28Å; H353-E374 PolarHBondContact CE1-OE1 3.41Å; H353-E374 VanDerWaalsContact CE1-OE1 3.3Å; H353-E374 IonicContact NE2-OE1 3.85Å; H353-E374 PolarHBondContact NE2-OE1 3.03Å; H353-E374 IonicContact NE2-OE2 2.68Å; H353-E374 PolarHBondContact NE2-OE2 3.38Å
354T80.4Confident70.4Confident56 Ų56104.5 Ų104.534%0.34454%0.544SS..SBendtrans-68.9-38.5175.2-650000111D339D339-T354 VanDerWaalsContact OD1-CB 3.3Å; D339-T354 WeakPolarHBondContact OD1-CB 3.47Å; D339-T354 PolarHBondContact OD1-OG1 2.96Å; D339-T354 PolarHBondContact OD2-N 3.01Å
355F77.4Confident69.2Low18 Ų18106 Ų1068%0.07955%0.553CS.*SBendtrans-114.9131174.9-61.5-70.8000108F335 H353 S357 K583 R586 E590F335-F355 HydrophobicContact CB-CD2 4.24Å; F335-F355 HydrophobicContact CB-CE2 4.4Å; F335-F355 HydrophobicContact CD1-CE2 4.2Å; F335-F355 AromaticContact CD2-CD2 3.74Å; F335-F355 HydrophobicContact CD2-CD2 3.74Å; F335-F355 AromaticContact CD2-CE2 3.57Å; F335-F355 HydrophobicContact CD2-CE2 3.57Å; F335-F355 HydrophobicContact CE1-CE2 4.38Å; F335-F355 HydrophobicContact CE2-CD2 4.3Å; F335-F355 AromaticContact CE2-CE2 3.77Å; F335-F355 HydrophobicContact CE2-CE2 3.77Å; F335-F355 HydrophobicContact CE2-CZ 4.49Å; F335-F355 HydrophobicContact CG-CD2 4.06Å; F335-F355 AromaticContact CG-CE2 3.81Å; F335-F355 HydrophobicContact CG-CE2 3.81Å; F335-F355 HydrophobicContact CZ-CE2 4.18Å; H353-F355 WeakPolarHBondContact CB-O 3.48Å; F355-S357 PolarHBondContact O-N 3.45Å; F355-S357 VanDerWaalsContact O-N 3.12Å; F355-K583 HydrophobicContact CE2-CG 3.99Å; F355-K583 HydrophobicContact CZ-CG 3.83Å; F355-R586 HydrophobicContact CD1-CG 4.46Å; F355-R586 HydrophobicContact CE1-CB 4.23Å; F355-R586 HydrophobicContact CE1-CG 3.92Å; F355-R586 HydrophobicContact CZ-CB 4.16Å; F355-R586 HydrophobicContact CZ-CG 4.21Å; F355-E590 WeakPolarHBondContact CD1-OE1 3.28Å; F355-E590 WeakPolarHBondContact CD1-OE2 3.47Å
356Q63.8Low68Low192 Ų192105.3 Ų105.390%0.89754%0.541SS*.PPolyproline II helixtrans-59.9120.5175-83173.5-20.700108.9
357S56.7Low66.9Low71 Ų71112.3 Ų112.350%0.49756%0.562SS.*PPolyproline II helixtrans-59.5143.5168-73.20000108.5F355 E359F355-S357 PolarHBondContact O-N 3.45Å; F355-S357 VanDerWaalsContact O-N 3.12Å; S357-E359 PolarHBondContact O-N 3.36Å
358P51.6Low66.3Low125 Ų125114.8 Ų114.881%0.81255%0.553SS**PPolyproline II helixtrans-53120.5170.122.1-30.3000107.3
359E48.8Very low65.8Low160 Ų160115.8 Ų115.875%0.74855%0.549SS*.PPolyproline II helixtrans-47.6132.1-173.8-69.8-177.4142.400109.9S357 E361S357-E359 PolarHBondContact O-N 3.36Å; E359-E361 PolarHBondContact O-N 2.55Å; E359-E361 VanDerWaalsContact O-N 3.1Å
360P48.6Very low65.6Low66 Ų66112.5 Ų112.543%0.42954%0.543SS..PPolyproline II helixtrans-61.5121.5174.124-30.2000108.1N362P360-N362 PolarHBondContact O-N 2.68Å
361E51.3Low65.5Low198 Ų198110 Ų11093%0.92554%0.537SS*.SBendtrans-54.5-17.8-178.7-69.4-178.2153.900113.4E359E359-E361 PolarHBondContact O-N 2.55Å; E359-E361 VanDerWaalsContact O-N 3.1Å
362N56.7Low65.5Low98 Ų98112.1 Ų112.152%0.52455%0.55SS.*  trans-102.7106.9-177-77.4-21.8000113.2P360 F364 I365 Q366P360-N362 PolarHBondContact O-N 2.68Å; N362-F364 PolarHBondContact O-N 2.83Å; N362-I365 HydrophobicContact CB-CD1 4.02Å; N362-I365 HydrophobicContact CB-CG1 4.11Å; N362-I365 PolarHBondContact O-N 2.61Å; N362-Q366 PolarHBondContact O-N 2.82Å
363R58.5Low65.5Low215 Ų215113.3 Ų113.381%0.81155%0.548SS*.Hα-helixtrans-51-28.4171.6-72.7-177.1175.4179.4-1.6114.6Q366 Y367R363-Q366 PolarHBondContact O-N 3.44Å; R363-Y367 PolarHBondContact O-N 3.45Å
364F58.9Low65.7Low171 Ų171111.7 Ų111.775%0.7554%0.541SS*.Hα-helixtrans-67.3-37.6176.8-73.4-77.7000113.1N362 Y367 F368N362-F364 PolarHBondContact O-N 2.83Å; F364-Y367 PolarHBondContact O-N 3.28Å; F364-F368 WeakPolarHBondContact O-CD2 3.45Å
365I61.1Low66Low89 Ų89110.9 Ų110.946%0.45653%0.532SS..Hα-helixtrans-69.6-41.1177.4-62176000108.9N362 Y367 F368 Y369N362-I365 HydrophobicContact CB-CD1 4.02Å; N362-I365 HydrophobicContact CB-CG1 4.11Å; N362-I365 PolarHBondContact O-N 2.61Å; I365-Y367 PolarHBondContact O-N 2.84Å; I365-F368 PolarHBondContact O-N 3.14Å; I365-Y369 VanDerWaalsContact O-CB 3.23Å; I365-Y369 WeakPolarHBondContact O-CB 3.47Å; I365-Y369 PolarHBondContact O-N 3.43Å
366Q61.2Low66.5Low109 Ų109114.7 Ų114.751%0.50955%0.546SS..Hα-helixtrans-60.9-30.1178.1-160.7173.723.100113.5N362 R363N362-Q366 PolarHBondContact O-N 2.82Å; R363-Q366 PolarHBondContact O-N 3.44Å
367Y61.4Low67.6Low193 Ų193110 Ų11076%0.75752%0.52SS*.Hα-helixtrans-72-38.7176.6-172.7-97.7000113R363 F364 I365R363-Y367 PolarHBondContact O-N 3.45Å; F364-Y367 PolarHBondContact O-N 3.28Å; I365-Y367 PolarHBondContact O-N 2.84Å
368F64.6Low69Low157 Ų157107.5 Ų107.569%0.68950%0.501SS*.Hα-helixtrans-85.2-27.6178.1-75.3-78.3000113F364 I365 N370F364-F368 WeakPolarHBondContact O-CD2 3.45Å; I365-F368 PolarHBondContact O-N 3.14Å; F368-N370 PolarHBondContact O-N 2.68Å
369Y67.3Low70.6Confident98 Ų98102 Ų10238%0.38447%0.465SS..  trans-91.867.5-179.2-130.4-98.6000111I365 E374I365-Y369 VanDerWaalsContact O-CB 3.23Å; I365-Y369 WeakPolarHBondContact O-CB 3.47Å; I365-Y369 PolarHBondContact O-N 3.43Å; Y369-E374 HydrophobicContact CD1-CB 4.23Å; Y369-E374 HydrophobicContact CD1-CG 4.4Å; Y369-E374 HydrophobicContact CE1-CB 3.96Å; Y369-E374 HydrophobicContact CE1-CG 3.75Å
370N78.3Confident72.4Confident85 Ų8598.2 Ų98.246%0.45545%0.45SS..  trans-72.6139.4172.5-170.3-43.9000109.5F368 T372 F373 E374F368-N370 PolarHBondContact O-N 2.68Å; N370-T372 PolarHBondContact O-N 3.35Å; N370-T372 PolarHBondContact OD1-N 3.49Å; N370-T372 PolarHBondContact OD1-OG1 3.12Å; N370-F373 WeakPolarHBondContact O-CA 3.47Å; N370-F373 WeakPolarHBondContact O-CB 3.4Å; N370-F373 PolarHBondContact O-N 2.86Å; N370-E374 PolarHBondContact O-N 3.37Å
371P80.3Confident74.4Confident59 Ų5999.4 Ų99.438%0.38345%0.452SS..Hα-helixtrans-51.9-25.2178.3-30.734.5000115.4F351 W375F351-P371 WeakPolarHBondContact CB-O 3.29Å; F351-P371 PolarHBondContact N-O 2.93Å; P371-W375 PolarHBondContact O-N 2.76Å
372T82.6Confident76.2Confident52 Ų5292.7 Ų92.732%0.31942%0.418SS..Hα-helixtrans-71.5-44.1173.151.70000112.4Q350 N370 W375 Y376Q350-T372 HydrophobicContact CG-CG2 4.06Å; N370-T372 PolarHBondContact O-N 3.35Å; N370-T372 PolarHBondContact OD1-N 3.49Å; N370-T372 PolarHBondContact OD1-OG1 3.12Å; T372-W375 WeakPolarHBondContact O-CB 3.47Å; T372-W375 PolarHBondContact O-N 2.8Å; T372-Y376 WeakPolarHBondContact O-CD2 3.33Å; T372-Y376 PolarHBondContact O-N 3.37Å; T372-Y376 VanDerWaalsContact O-N 3.14Å
373F84.5Confident77.8Confident111 Ų11189.4 Ų89.449%0.48740%0.402SS..Hα-helixtrans-65.3-41.5176.3-178.6-97.1000111.2N370 W375 Y376 W377N370-F373 WeakPolarHBondContact O-CA 3.47Å; N370-F373 WeakPolarHBondContact O-CB 3.4Å; N370-F373 PolarHBondContact O-N 2.86Å; F373-W375 VanDerWaalsContact C-N 3.3Å; F373-W375 PolarHBondContact O-N 3.01Å; F373-Y376 PolarHBondContact O-N 2.8Å; F373-W377 WeakPolarHBondContact O-CB 3.46Å; F373-W377 PolarHBondContact O-N 3.07Å
374E84.9Confident79.4Confident23 Ų2386.6 Ų86.611%0.10739%0.391CS..Hα-helixtrans-57.6-43.3174.5-174172.9-162.700111.4F351 H353 Y369 N370 W377 E378F351-E374 HydrophobicContact CB-CB 4.08Å; F351-E374 HydrophobicContact CB-CG 3.97Å; F351-E374 HydrophobicContact CD1-CG 4.23Å; F351-E374 HydrophobicContact CD2-CG 4.26Å; F351-E374 HydrophobicContact CG-CG 3.88Å; H353-E374 IonicContact CE1-OE1 3.28Å; H353-E374 PolarHBondContact CE1-OE1 3.41Å; H353-E374 VanDerWaalsContact CE1-OE1 3.3Å; H353-E374 IonicContact NE2-OE1 3.85Å; H353-E374 PolarHBondContact NE2-OE1 3.03Å; H353-E374 IonicContact NE2-OE2 2.68Å; H353-E374 PolarHBondContact NE2-OE2 3.38Å; Y369-E374 HydrophobicContact CD1-CB 4.23Å; Y369-E374 HydrophobicContact CD1-CG 4.4Å; Y369-E374 HydrophobicContact CE1-CB 3.96Å; Y369-E374 HydrophobicContact CE1-CG 3.75Å; N370-E374 PolarHBondContact O-N 3.37Å; E374-W377 PolarHBondContact O-N 3.37Å; E374-E378 HydrophobicContact CG-CG 4.37Å; E374-E378 WeakPolarHBondContact O-CB 3.26Å; E374-E378 WeakPolarHBondContact O-CG 3.36Å; E374-E378 PolarHBondContact O-N 3.26Å
375W87.2Confident81.1Confident38 Ų3883.6 Ų83.614%0.14438%0.378CS..Hα-helixtrans-60.4-46.8174.7-173.694.9000112.3N343 R349 F351 P371 T372 F373 W377 C379N343-W375 PolarHBondContact O-NE1 3.13Å; R349-W375 HydrophobicContact CB-CD2 4.24Å; R349-W375 HydrophobicContact CB-CE3 4.22Å; R349-W375 HydrophobicContact CG-CE3 4.36Å; R349-W375 HydrophobicContact CG-CH2 4.27Å; R349-W375 HydrophobicContact CG-CZ2 4.43Å; R349-W375 HydrophobicContact CG-CZ3 4.23Å; F351-W375 HydrophobicContact CB-CB 4.28Å; P371-W375 PolarHBondContact O-N 2.76Å; T372-W375 WeakPolarHBondContact O-CB 3.47Å; T372-W375 PolarHBondContact O-N 2.8Å; F373-W375 VanDerWaalsContact C-N 3.3Å; F373-W375 PolarHBondContact O-N 3.01Å; W375-W377 VanDerWaalsContact C-N 3.34Å; W375-W377 PolarHBondContact O-N 3.46Å; W375-C379 HydrophobicContact CD2-CB 4.29Å; W375-C379 HydrophobicContact CZ2-CB 4.36Å; W375-C379 VanDerWaalsContact O-CB 3.25Å; W375-C379 WeakPolarHBondContact O-CB 3.32Å; W375-C379 PolarHBondContact O-N 3.01Å
376Y88.4Confident82.6Confident98 Ų9882.2 Ų82.238%0.38437%0.368SS..Iπ-helixtrans-63.3-40.2177.8-83-72.9000112.4R349 T372 F373 L380 L381R349-Y376 PolarHBondContact NH1-OH 3.36Å; T372-Y376 WeakPolarHBondContact O-CD2 3.33Å; T372-Y376 PolarHBondContact O-N 3.37Å; T372-Y376 VanDerWaalsContact O-N 3.14Å; F373-Y376 PolarHBondContact O-N 2.8Å; Y376-L380 HydrophobicContact CD1-CD2 4.2Å; Y376-L380 WeakPolarHBondContact O-CB 3.24Å; Y376-L380 PolarHBondContact O-N 3.19Å; Y376-L381 PolarHBondContact O-N 3.04Å
377W87.8Confident84.2Confident94 Ų9481 Ų8136%0.35636%0.361SS..Iπ-helixtrans-65.2-52.8177.6177.8-107.3000111.3F373 E374 W375 L381 R382F373-W377 WeakPolarHBondContact O-CB 3.46Å; F373-W377 PolarHBondContact O-N 3.07Å; E374-W377 PolarHBondContact O-N 3.37Å; W375-W377 VanDerWaalsContact C-N 3.34Å; W375-W377 PolarHBondContact O-N 3.46Å; W377-L381 HydrophobicContact CE3-CB 4.27Å; W377-L381 HydrophobicContact CE3-CD2 3.56Å; W377-L381 HydrophobicContact CE3-CG 4.05Å; W377-L381 HydrophobicContact CZ3-CD2 3.56Å; W377-L381 HydrophobicContact CZ3-CG 3.98Å; W377-L381 PolarHBondContact O-N 3.34Å; W377-R382 WeakPolarHBondContact O-CB 2.9Å; W377-R382 PolarHBondContact O-N 3.13Å
378E85.9Confident85.8Confident18 Ų1876.8 Ų76.88%0.08435%0.35CS..Iπ-helixtrans-79.7-43.1-170.7-69-61.8151.800113.8Y336 F351 E374 R382Y336-E378 VanDerWaalsContact OH-CG 3.24Å; Y336-E378 WeakPolarHBondContact OH-CG 3.11Å; Y336-E378 PolarHBondContact OH-OE1 2.98Å; Y336-E378 PolarHBondContact OH-OE2 3.2Å; F351-E378 HydrophobicContact CE2-CB 4.29Å; E374-E378 HydrophobicContact CG-CG 4.37Å; E374-E378 WeakPolarHBondContact O-CB 3.26Å; E374-E378 WeakPolarHBondContact O-CG 3.36Å; E374-E378 PolarHBondContact O-N 3.26Å; E378-R382 IonicContact OE1-NH1 2.91Å; E378-R382 WeakPolarHBondContact OE2-CD 3.48Å; E378-R382 IonicContact OE2-CZ 3.38Å; E378-R382 IonicContact OE2-NE 3.3Å; E378-R382 IonicContact OE2-NH1 3Å; E378-R382 PolarHBondContact OE2-NH1 3.06Å
379C84.8Confident87.2Confident9 Ų971.5 Ų71.56%0.06133%0.329CS..Iπ-helixtrans-85.1-29.9-175.7-61.80000112.9W375W375-C379 HydrophobicContact CD2-CB 4.29Å; W375-C379 HydrophobicContact CZ2-CB 4.36Å; W375-C379 VanDerWaalsContact O-CB 3.25Å; W375-C379 WeakPolarHBondContact O-CB 3.32Å; W375-C379 PolarHBondContact O-N 3.01Å
380L86.7Confident88.6Confident82 Ų8266.9 Ų66.943%0.42931%0.311SS..Iπ-helixtrans-113.5-59.2-174.2-172.969.6000113.6Y376 P383Y376-L380 HydrophobicContact CD1-CD2 4.2Å; Y376-L380 WeakPolarHBondContact O-CB 3.24Å; Y376-L380 PolarHBondContact O-N 3.19Å; L380-P383 WeakPolarHBondContact O-CD 3.02Å
381L90.1Very high89.4Confident90 Ų9066.1 Ų66.147%0.47131%0.309SS..Iπ-helixtrans-74-41.5-168.1-173.354.7000112.6Y376 W377 W384 F385Y376-L381 PolarHBondContact O-N 3.04Å; W377-L381 HydrophobicContact CE3-CB 4.27Å; W377-L381 HydrophobicContact CE3-CD2 3.56Å; W377-L381 HydrophobicContact CE3-CG 4.05Å; W377-L381 HydrophobicContact CZ3-CD2 3.56Å; W377-L381 HydrophobicContact CZ3-CG 3.98Å; W377-L381 PolarHBondContact O-N 3.34Å; L381-W384 PolarHBondContact O-N 3.01Å; L381-F385 WeakPolarHBondContact O-CB 3.34Å; L381-F385 PolarHBondContact O-N 3.36Å
382R89.5Confident90.1Very high58 Ų5866.6 Ų66.622%0.21931%0.311CS..Hα-helixtrans-58.8-48.6-178.3174-178.2-177.9179.72.6113.4W377 E378 W384 F385 Y386W377-R382 WeakPolarHBondContact O-CB 2.9Å; W377-R382 PolarHBondContact O-N 3.13Å; E378-R382 IonicContact OE1-NH1 2.91Å; E378-R382 WeakPolarHBondContact OE2-CD 3.48Å; E378-R382 IonicContact OE2-CZ 3.38Å; E378-R382 IonicContact OE2-NE 3.3Å; E378-R382 IonicContact OE2-NH1 3Å; E378-R382 PolarHBondContact OE2-NH1 3.06Å; R382-W384 VanDerWaalsContact C-N 3.33Å; R382-W384 PolarHBondContact O-N 2.97Å; R382-F385 PolarHBondContact O-N 3.34Å; R382-Y386 PolarHBondContact O-N 3.25Å
383P90.3Very high90.7Very high28 Ų2865.2 Ų65.218%0.18230%0.301CS..Hα-helixtrans-59.2-40.2174.4-25.633.8000113.3A217 L380 Y386 K387A217-P383 WeakPolarHBondContact CB-O 3.05Å; L380-P383 WeakPolarHBondContact O-CD 3.02Å; P383-Y386 PolarHBondContact O-N 3.47Å; P383-K387 WeakPolarHBondContact O-CG 3.39Å; P383-K387 PolarHBondContact O-N 2.7Å
384W92.1Very high91.3Very high156 Ų15662.3 Ų62.359%0.59130%0.295SS*.Hα-helixtrans-67-44.3178-88.994.5000112.4L381 R382 Y386 K387 I388L381-W384 PolarHBondContact O-N 3.01Å; R382-W384 VanDerWaalsContact C-N 3.33Å; R382-W384 PolarHBondContact O-N 2.97Å; W384-Y386 VanDerWaalsContact C-N 3.33Å; W384-Y386 PolarHBondContact O-N 3.14Å; W384-K387 PolarHBondContact O-N 2.87Å; W384-I388 WeakPolarHBondContact O-CG1 3.23Å; W384-I388 PolarHBondContact O-N 2.86Å
385F93.8Very high91.8Very high108 Ų10865.8 Ų65.847%0.47431%0.313SS..Hα-helixtrans-57.5-46.1175.2176.3-107.2000111.5L381 R382 K387 I388 L389L381-F385 WeakPolarHBondContact O-CB 3.34Å; L381-F385 PolarHBondContact O-N 3.36Å; R382-F385 PolarHBondContact O-N 3.34Å; F385-K387 PolarHBondContact O-N 3.1Å; F385-I388 PolarHBondContact O-N 3.36Å; F385-L389 HydrophobicContact CE1-CD2 4.25Å; F385-L389 HydrophobicContact CZ-CD2 4.4Å; F385-L389 VanDerWaalsContact O-CB 3.28Å; F385-L389 WeakPolarHBondContact O-CB 3.06Å; F385-L389 PolarHBondContact O-N 3.19Å
386Y93Very high92.1Very high61 Ų6166.6 Ų66.624%0.23932%0.318CS..Hα-helixtrans-65.3-34.8177-77.28.1000113.2Y213 R382 P383 W384 A390Y213-Y386 HydrophobicContact CD1-CD1 4.32Å; Y213-Y386 HydrophobicContact CD1-CG 4.35Å; R382-Y386 PolarHBondContact O-N 3.25Å; P383-Y386 PolarHBondContact O-N 3.47Å; W384-Y386 VanDerWaalsContact C-N 3.33Å; W384-Y386 PolarHBondContact O-N 3.14Å; Y386-A390 WeakPolarHBondContact O-CB 3.37Å; Y386-A390 PolarHBondContact O-N 3.18Å
387K94.2Very high92.4Very high84 Ų8462.4 Ų62.437%0.36530%0.303SS..Hα-helixtrans-64.2-50173.2-74.9177.2-176.4-179.50111.9A217 P383 W384 F385 L389 A390 V391A217-K387 HydrophobicContact CB-CG 3.63Å; P383-K387 WeakPolarHBondContact O-CG 3.39Å; P383-K387 PolarHBondContact O-N 2.7Å; W384-K387 PolarHBondContact O-N 2.87Å; F385-K387 PolarHBondContact O-N 3.1Å; K387-L389 VanDerWaalsContact C-N 3.33Å; K387-L389 PolarHBondContact O-N 3.32Å; K387-A390 PolarHBondContact O-N 3.04Å; K387-V391 WeakPolarHBondContact O-CG2 3.24Å; K387-V391 PolarHBondContact O-N 2.89Å
388I95.4Very high92.7Very high103 Ų10362.8 Ų62.853%0.52832%0.315SS..Hα-helixtrans-60-47.7179.4-66.5169.1000109.6W384 F385 A390 V391 V392W384-I388 WeakPolarHBondContact O-CG1 3.23Å; W384-I388 PolarHBondContact O-N 2.86Å; F385-I388 PolarHBondContact O-N 3.36Å; I388-A390 VanDerWaalsContact C-N 3.35Å; I388-A390 PolarHBondContact O-N 3.37Å; I388-V391 PolarHBondContact O-N 3.2Å; I388-V392 HydrophobicContact CG2-CG2 4.5Å; I388-V392 WeakPolarHBondContact O-CG2 3.23Å; I388-V392 PolarHBondContact O-N 3.16Å
389L94.8Very high93Very high47 Ų4763.7 Ų63.725%0.24632%0.32CS..Hα-helixtrans-59.8-43.8177.5-17760.8000111.8Y213 F385 K387 V391 V392 L393Y213-L389 HydrophobicContact CD1-CD2 3.93Å; Y213-L389 HydrophobicContact CE1-CD2 3.79Å; Y213-L389 HydrophobicContact CG-CD2 4.36Å; F385-L389 HydrophobicContact CE1-CD2 4.25Å; F385-L389 HydrophobicContact CZ-CD2 4.4Å; F385-L389 VanDerWaalsContact O-CB 3.28Å; F385-L389 WeakPolarHBondContact O-CB 3.06Å; F385-L389 PolarHBondContact O-N 3.19Å; K387-L389 VanDerWaalsContact C-N 3.33Å; K387-L389 PolarHBondContact O-N 3.32Å; L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 3.06Å; L389-V392 PolarHBondContact O-N 2.92Å; L389-L393 HydrophobicContact CD1-CD1 4.01Å; L389-L393 HydrophobicContact CD1-CG 4.11Å; L389-L393 HydrophobicContact CG-CD1 3.82Å; L389-L393 HydrophobicContact CG-CG 4.34Å; L389-L393 WeakPolarHBondContact O-CB 3.42Å; L389-L393 WeakPolarHBondContact O-CG 3.46Å; L389-L393 PolarHBondContact O-N 3.29Å
390A95.4Very high93.4Very high0 Ų063.2 Ų63.20%032%0.317CS..Hα-helixtrans-62.5-38.1177.400000112.7W214 Y386 K387 I388 S394W214-A390 HydrophobicContact CB-CB 3.95Å; W214-A390 HydrophobicContact CE3-CB 4.13Å; Y386-A390 WeakPolarHBondContact O-CB 3.37Å; Y386-A390 PolarHBondContact O-N 3.18Å; K387-A390 PolarHBondContact O-N 3.04Å; I388-A390 VanDerWaalsContact C-N 3.35Å; I388-A390 PolarHBondContact O-N 3.37Å; A390-S394 VanDerWaalsContact O-CB 3.3Å; A390-S394 WeakPolarHBondContact O-CB 3.31Å; A390-S394 PolarHBondContact O-N 2.96Å; A390-S394 PolarHBondContact O-OG 3.31Å
391V96.3Very high93.6Very high69 Ų6961 Ų6142%0.41831%0.307SS..Hα-helixtrans-66.9-47.5176172.10000110.5W214 K387 I388 L389 L393 S394 I395W214-V391 HydrophobicContact CZ3-CG2 4.05Å; K387-V391 WeakPolarHBondContact O-CG2 3.24Å; K387-V391 PolarHBondContact O-N 2.89Å; I388-V391 PolarHBondContact O-N 3.2Å; L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 3.06Å; V391-L393 PolarHBondContact O-N 3.33Å; V391-S394 WeakPolarHBondContact O-CB 3.44Å; V391-S394 PolarHBondContact O-N 3.43Å; V391-I395 HydrophobicContact CG1-CD1 3.99Å; V391-I395 WeakPolarHBondContact O-CG1 3.25Å; V391-I395 PolarHBondContact O-N 2.64Å
392V95.4Very high93.6Very high70 Ų7063.2 Ų63.242%0.42431%0.309SS..Hα-helixtrans-59.3-47177.5172.60000111I388 L389 S394 I395 F396I388-V392 HydrophobicContact CG2-CG2 4.5Å; I388-V392 WeakPolarHBondContact O-CG2 3.23Å; I388-V392 PolarHBondContact O-N 3.16Å; L389-V392 PolarHBondContact O-N 2.92Å; V392-S394 VanDerWaalsContact C-N 3.34Å; V392-S394 PolarHBondContact O-N 3.37Å; V392-I395 PolarHBondContact O-N 3.32Å; V392-F396 HydrophobicContact CG1-CD2 4.32Å; V392-F396 PolarHBondContact O-N 3.49Å
393L95.2Very high93.6Very high22 Ų2260.4 Ų60.412%0.11530%0.299CS..Hα-helixtrans-64.7-37.3177.6-66.3170.4000111.8I209 P210 Y213 L389 V391 F396 S397 F443I209-L393 HydrophobicContact CG2-CD1 4.2Å; P210-L393 HydrophobicContact CB-CB 4.24Å; P210-L393 HydrophobicContact CG-CB 4.02Å; Y213-L393 HydrophobicContact CD2-CD1 3.63Å; Y213-L393 HydrophobicContact CE2-CD1 3.84Å; Y213-L393 HydrophobicContact CG-CD1 4.48Å; L389-L393 HydrophobicContact CD1-CD1 4.01Å; L389-L393 HydrophobicContact CD1-CG 4.11Å; L389-L393 HydrophobicContact CG-CD1 3.82Å; L389-L393 HydrophobicContact CG-CG 4.34Å; L389-L393 WeakPolarHBondContact O-CB 3.42Å; L389-L393 WeakPolarHBondContact O-CG 3.46Å; L389-L393 PolarHBondContact O-N 3.29Å; V391-L393 PolarHBondContact O-N 3.33Å; L393-F396 PolarHBondContact O-N 2.82Å; L393-S397 PolarHBondContact O-N 3.45Å; L393-S397 PolarHBondContact O-OG 3.33Å; L393-F443 HydrophobicContact CD2-CD2 4Å; L393-F443 HydrophobicContact CD2-CE2 3.72Å
394S95.5Very high93.5Very high51 Ų5159.1 Ų59.136%0.35729%0.29SS..Hα-helixtrans-62.6-42.2175.1-60.80000112P210 A390 V391 V392 S397 V398P210-S394 VanDerWaalsContact CB-OG 3.22Å; P210-S394 WeakPolarHBondContact CB-OG 3.45Å; A390-S394 VanDerWaalsContact O-CB 3.3Å; A390-S394 WeakPolarHBondContact O-CB 3.31Å; A390-S394 PolarHBondContact O-N 2.96Å; A390-S394 PolarHBondContact O-OG 3.31Å; V391-S394 WeakPolarHBondContact O-CB 3.44Å; V391-S394 PolarHBondContact O-N 3.43Å; V392-S394 VanDerWaalsContact C-N 3.34Å; V392-S394 PolarHBondContact O-N 3.37Å; S394-S397 WeakPolarHBondContact O-CB 3.18Å; S394-S397 PolarHBondContact O-N 2.97Å; S394-V398 WeakPolarHBondContact O-CG2 3.43Å; S394-V398 PolarHBondContact O-N 3.49Å
395I95.4Very high93.1Very high95 Ų9553.7 Ų53.749%0.48728%0.275SS..Hα-helixtrans-62.8-47176.4-67.4165.5000110V391 V392 S397 V398 I399V391-I395 HydrophobicContact CG1-CD1 3.99Å; V391-I395 WeakPolarHBondContact O-CG1 3.25Å; V391-I395 PolarHBondContact O-N 2.64Å; V392-I395 PolarHBondContact O-N 3.32Å; I395-S397 VanDerWaalsContact C-N 3.33Å; I395-S397 PolarHBondContact O-N 2.84Å; I395-V398 PolarHBondContact O-N 3.35Å; I395-I399 HydrophobicContact CG2-CD1 3.92Å; I395-I399 WeakPolarHBondContact O-CG1 3.47Å; I395-I399 PolarHBondContact O-N 2.93Å
396F94.3Very high92.6Very high56 Ų5649.1 Ų49.125%0.24626%0.256CS..Hα-helixtrans-59.6-41.7175.4-98.8-96000112.4V392 L393 V398 I399 V400 F443V392-F396 HydrophobicContact CG1-CD2 4.32Å; V392-F396 PolarHBondContact O-N 3.49Å; L393-F396 PolarHBondContact O-N 2.82Å; F396-V398 PolarHBondContact O-N 3.49Å; F396-I399 PolarHBondContact O-N 3.37Å; F396-V400 WeakPolarHBondContact O-CG2 3.33Å; F396-V400 PolarHBondContact O-N 2.89Å; F396-F443 HydrophobicContact CB-CD1 4.15Å; F396-F443 HydrophobicContact CB-CD2 4.16Å; F396-F443 HydrophobicContact CB-CE1 3.91Å; F396-F443 HydrophobicContact CB-CE2 3.92Å; F396-F443 HydrophobicContact CB-CG 4.26Å; F396-F443 HydrophobicContact CB-CZ 3.79Å; F396-F443 HydrophobicContact CD1-CB 4.31Å; F396-F443 HydrophobicContact CD1-CD1 4.22Å; F396-F443 HydrophobicContact CD1-CG 4.11Å
397S94.8Very high91.8Very high9 Ų946.7 Ų46.76%0.06325%0.247CC..Hα-helixtrans-59-45174.9-68.40000112.1L206 P210 L393 S394 I395 V400 V401 F443L206-S397 VanDerWaalsContact O-CB 3.28Å; L206-S397 WeakPolarHBondContact O-CB 3.4Å; L206-S397 PolarHBondContact O-OG 3.49Å; P210-S397 WeakPolarHBondContact CG-OG 3.43Å; L393-S397 PolarHBondContact O-N 3.45Å; L393-S397 PolarHBondContact O-OG 3.33Å; S394-S397 WeakPolarHBondContact O-CB 3.18Å; S394-S397 PolarHBondContact O-N 2.97Å; I395-S397 VanDerWaalsContact C-N 3.33Å; I395-S397 PolarHBondContact O-N 2.84Å; S397-V400 PolarHBondContact O-N 3.04Å; S397-V401 WeakPolarHBondContact O-CG2 3.41Å; S397-V401 PolarHBondContact O-N 3.04Å; S397-F443 WeakPolarHBondContact OG-CZ 3.3Å
398V93.6Very high90.8Very high103 Ų10348.7 Ų48.762%0.62426%0.256SS*.Hα-helixtrans-64.2-41.3177.61730000111.1S394 I395 F396 V400 V401 W402S394-V398 WeakPolarHBondContact O-CG2 3.43Å; S394-V398 PolarHBondContact O-N 3.49Å; I395-V398 PolarHBondContact O-N 3.35Å; F396-V398 PolarHBondContact O-N 3.49Å; V398-V400 VanDerWaalsContact C-N 3.32Å; V398-V400 PolarHBondContact O-N 3.26Å; V398-V401 PolarHBondContact O-N 2.97Å; V398-W402 VanDerWaalsContact O-CB 3.26Å; V398-W402 WeakPolarHBondContact O-CB 3.46Å; V398-W402 PolarHBondContact O-N 3.18Å
399I92.6Very high89.6Confident36 Ų3644.9 Ų44.919%0.18524%0.238CC..Hα-helixtrans-60.4-42.9175.3-69.3169.6000110.9I395 F396 S403 L416 F417I395-I399 HydrophobicContact CG2-CD1 3.92Å; I395-I399 WeakPolarHBondContact O-CG1 3.47Å; I395-I399 PolarHBondContact O-N 2.93Å; F396-I399 PolarHBondContact O-N 3.37Å; I399-S403 VanDerWaalsContact O-CB 3.27Å; I399-S403 WeakPolarHBondContact O-CB 3.41Å; I399-S403 PolarHBondContact O-N 3.05Å; I399-S403 PolarHBondContact O-OG 3.18Å; I399-L416 HydrophobicContact CB-CD1 4.29Å; I399-L416 HydrophobicContact CG1-CD1 3.97Å; I399-L416 HydrophobicContact CG2-CB 4.09Å; I399-L416 HydrophobicContact CG2-CD1 3.95Å; I399-F417 HydrophobicContact CG2-CE1 4.27Å; I399-F417 HydrophobicContact CG2-CE2 3.93Å; I399-F417 HydrophobicContact CG2-CZ 3.77Å
400V92.2Very high88.3Confident0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-63.6-53.6175.8171.60000110.7L206 F396 S397 V398 W402 S403 E404 F417 F443 L444L206-V400 HydrophobicContact CD1-CG1 4.01Å; L206-V400 HydrophobicContact CD2-CB 3.93Å; L206-V400 HydrophobicContact CD2-CG1 3.83Å; L206-V400 HydrophobicContact CD2-CG2 4.43Å; F396-V400 WeakPolarHBondContact O-CG2 3.33Å; F396-V400 PolarHBondContact O-N 2.89Å; S397-V400 PolarHBondContact O-N 3.04Å; V398-V400 VanDerWaalsContact C-N 3.32Å; V398-V400 PolarHBondContact O-N 3.26Å; V400-W402 VanDerWaalsContact C-N 3.27Å; V400-W402 PolarHBondContact O-N 3.44Å; V400-S403 CarbonylContact O-C 3.57Å; V400-S403 PolarHBondContact O-N 3.47Å; V400-E404 HydrophobicContact CG1-CG 4.11Å; V400-E404 VanDerWaalsContact O-CG 3.3Å; V400-E404 WeakPolarHBondContact O-CG 3.3Å; V400-E404 PolarHBondContact O-N 3.25Å; V400-F417 HydrophobicContact CG2-CE2 3.82Å; V400-F417 HydrophobicContact CG2-CZ 3.9Å; V400-F443 HydrophobicContact CB-CE1 4.5Å; V400-F443 HydrophobicContact CG2-CD1 3.75Å; V400-F443 HydrophobicContact CG2-CE1 3.72Å; V400-L444 HydrophobicContact CG1-CD2 3.73Å; V400-L444 HydrophobicContact CG2-CD2 4.03Å
401V91.6Very high87.1Confident34 Ų3450.3 Ų50.321%0.20627%0.274CS..Hα-helixtrans-56.9-44179.7174.50000110.9L206 S397 V398 S403 E404 C405 V538L206-V401 HydrophobicContact CD1-CG2 3.93Å; S397-V401 WeakPolarHBondContact O-CG2 3.41Å; S397-V401 PolarHBondContact O-N 3.04Å; V398-V401 PolarHBondContact O-N 2.97Å; V401-S403 PolarHBondContact O-N 2.97Å; V401-E404 PolarHBondContact O-N 2.89Å; V401-C405 PolarHBondContact O-N 3.33Å; V401-C405 PolarHBondContact O-SG 3.11Å; V401-V538 HydrophobicContact CG1-CG2 4.04Å
402W91.3Very high86Confident137 Ų13751.4 Ų51.452%0.51928%0.282SS..Hα-helixtrans-59.8-46.7175.1-179.4-88.4000111.9V398 V400 E404 C405 T406 L414V398-W402 VanDerWaalsContact O-CB 3.26Å; V398-W402 WeakPolarHBondContact O-CB 3.46Å; V398-W402 PolarHBondContact O-N 3.18Å; V400-W402 VanDerWaalsContact C-N 3.27Å; V400-W402 PolarHBondContact O-N 3.44Å; W402-E404 VanDerWaalsContact C-N 3.33Å; W402-E404 PolarHBondContact O-N 3.43Å; W402-C405 PolarHBondContact O-N 2.96Å; W402-T406 HydrophobicContact CD2-CG2 4.38Å; W402-T406 HydrophobicContact CZ2-CG2 4.24Å; W402-T406 WeakPolarHBondContact O-CB 3.33Å; W402-T406 VanDerWaalsContact O-CG2 3.32Å; W402-T406 WeakPolarHBondContact O-CG2 3.23Å; W402-T406 PolarHBondContact O-N 3.16Å; W402-T406 VanDerWaalsContact O-N 3.09Å; W402-T406 PolarHBondContact O-OG1 2.89Å; W402-L414 PolarHBondContact NE1-O 3.17Å
403S88.8Confident85.2Confident0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-66.7-35.2-179.6-56.90000111.8I399 V400 V401 T406 F407 S415 L416 F417 L495I399-S403 VanDerWaalsContact O-CB 3.27Å; I399-S403 WeakPolarHBondContact O-CB 3.41Å; I399-S403 PolarHBondContact O-N 3.05Å; I399-S403 PolarHBondContact O-OG 3.18Å; V400-S403 CarbonylContact O-C 3.57Å; V400-S403 PolarHBondContact O-N 3.47Å; V401-S403 PolarHBondContact O-N 2.97Å; S403-T406 WeakPolarHBondContact CA-OG1 3.24Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.99Å; S403-F407 WeakPolarHBondContact O-CB 3.19Å; S403-F407 PolarHBondContact O-N 3.42Å; S403-S415 WeakPolarHBondContact CB-OG 3.11Å; S403-L416 PolarHBondContact OG-N 3.4Å; S403-F417 WeakPolarHBondContact OG-CD2 3.36Å; S403-L495 VanDerWaalsContact C-CD2 3.43Å; S403-L495 WeakPolarHBondContact O-CD2 3.28Å
404E86.9Confident84.5Confident1 Ų152.2 Ų52.21%0.00529%0.285CS..Hα-helixtrans-63.3-44.3171.8-68.8-68-179.600111.3V400 V401 W402 T406 F407 N491 L495 Y533 P534V400-E404 HydrophobicContact CG1-CG 4.11Å; V400-E404 VanDerWaalsContact O-CG 3.3Å; V400-E404 WeakPolarHBondContact O-CG 3.3Å; V400-E404 PolarHBondContact O-N 3.25Å; V401-E404 PolarHBondContact O-N 2.89Å; W402-E404 VanDerWaalsContact C-N 3.33Å; W402-E404 PolarHBondContact O-N 3.43Å; E404-T406 PolarHBondContact O-N 3.35Å; E404-F407 WeakPolarHBondContact O-CD1 3.18Å; E404-F407 WeakPolarHBondContact O-CE1 3.5Å; E404-N491 PolarHBondContact OE1-ND2 3.19Å; E404-N491 PolarHBondContact OE1-OD1 2.89Å; E404-N491 PolarHBondContact OE2-ND2 3.38Å; E404-L495 HydrophobicContact CB-CD2 4.49Å; E404-L495 HydrophobicContact CG-CD2 4.03Å; E404-Y533 WeakPolarHBondContact OE2-CE1 3.23Å; E404-P534 VanDerWaalsContact O-CB 3.28Å; E404-P534 WeakPolarHBondContact O-CB 3.45Å; E404-P534 VanDerWaalsContact O-CG 3.26Å; E404-P534 WeakPolarHBondContact O-CG 3.33Å
405C84.1Confident84Confident41 Ų4149.8 Ų49.828%0.27727%0.268SS..Hα-helixtrans-66.8-19.7176.5-66.40000114.1V401 W402 F408 V538V401-C405 PolarHBondContact O-N 3.33Å; V401-C405 PolarHBondContact O-SG 3.11Å; W402-C405 PolarHBondContact O-N 2.96Å; C405-F408 WeakPolarHBondContact O-CD1 3.22Å; C405-F408 WeakPolarHBondContact O-CE1 3.47Å; C405-V538 WeakPolarHBondContact SG-CG2 3.25Å
406T83.1Confident83.5Confident13 Ų1348 Ų488%0.0826%0.259CS..Hα-helixtrans-119.5-7.1-167.855.60000114W402 S403 E404 F408 S409 L414 S415W402-T406 HydrophobicContact CD2-CG2 4.38Å; W402-T406 HydrophobicContact CZ2-CG2 4.24Å; W402-T406 WeakPolarHBondContact O-CB 3.33Å; W402-T406 VanDerWaalsContact O-CG2 3.32Å; W402-T406 WeakPolarHBondContact O-CG2 3.23Å; W402-T406 PolarHBondContact O-N 3.16Å; W402-T406 VanDerWaalsContact O-N 3.09Å; W402-T406 PolarHBondContact O-OG1 2.89Å; S403-T406 WeakPolarHBondContact CA-OG1 3.24Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.99Å; E404-T406 PolarHBondContact O-N 3.35Å; T406-F408 PolarHBondContact O-N 3.26Å; T406-F408 VanDerWaalsContact O-N 3.14Å; T406-S409 PolarHBondContact O-N 3.31Å; T406-L414 HydrophobicContact CG2-CB 3.92Å; T406-L414 PolarHBondContact OG1-O 3.45Å; T406-S415 WeakPolarHBondContact OG1-CA 3.19Å; T406-S415 PolarHBondContact OG1-N 3.29Å
407F77.3Confident83Confident9 Ų945.8 Ų45.84%0.03925%0.249CC..THydrogen-bonded Turntrans-63.1-24.2-176.181.7-100.2000113.3S403 E404 S409 L495 H497 I502 Y530 Y533 P534S403-F407 WeakPolarHBondContact O-CB 3.19Å; S403-F407 PolarHBondContact O-N 3.42Å; E404-F407 WeakPolarHBondContact O-CD1 3.18Å; E404-F407 WeakPolarHBondContact O-CE1 3.5Å; F407-S409 PolarHBondContact O-N 2.95Å; F407-L495 HydrophobicContact CB-CD2 4.38Å; F407-L495 HydrophobicContact CD1-CD2 4.43Å; F407-H497 PolarHBondContact O-NE2 3.47Å; F407-I502 HydrophobicContact CD2-CD1 3.69Å; F407-I502 HydrophobicContact CD2-CG1 4.24Å; F407-I502 HydrophobicContact CD2-CG2 4.37Å; F407-I502 HydrophobicContact CE2-CD1 3.72Å; F407-I502 HydrophobicContact CE2-CG1 4.22Å; F407-I502 WeakPolarHBondContact O-CG2 3.22Å; F407-Y530 AromaticContact CE2-CD1 3.55Å; F407-Y530 HydrophobicContact CE2-CD1 3.55Å; F407-Y530 HydrophobicContact CE2-CE1 4.09Å; F407-Y530 HydrophobicContact CE2-CG 4.48Å; F407-Y530 AromaticContact CZ-CD1 3.86Å; F407-Y530 HydrophobicContact CZ-CD1 3.86Å; F407-Y533 HydrophobicContact CE1-CD1 4.32Å; F407-P534 HydrophobicContact CD1-CG 4.46Å; F407-P534 HydrophobicContact CE1-CG 3.72Å; F407-P534 HydrophobicContact CZ-CG 4.33Å
408F72.9Confident82.4Confident126 Ų12645.3 Ų45.355%0.55325%0.247SC*.THydrogen-bonded Turntrans-68.1-22.6175.471.8-100.5000113C405 T406 T410C405-F408 WeakPolarHBondContact O-CD1 3.22Å; C405-F408 WeakPolarHBondContact O-CE1 3.47Å; T406-F408 PolarHBondContact O-N 3.26Å; T406-F408 VanDerWaalsContact O-N 3.14Å; F408-T410 PolarHBondContact O-N 2.93Å
409S70.4Confident82Confident23 Ų2343.3 Ų43.316%0.16123%0.234CC..  trans-84.7105179.4-162.50000109.9T406 F407 P412T406-S409 PolarHBondContact O-N 3.31Å; F407-S409 PolarHBondContact O-N 2.95Å; S409-P412 PolarHBondContact OG-O 2.82Å
410T67.6Low81.7Confident38 Ų3845.3 Ų45.323%0.23324%0.242CC..THydrogen-bonded Turntrans-93.2-21.9-177.353.70000112.5F408 V413 I502F408-T410 PolarHBondContact O-N 2.93Å; T410-V413 WeakPolarHBondContact O-CG2 3.37Å; T410-I502 HydrophobicContact CG2-CG2 4.03Å; T410-I502 WeakPolarHBondContact CG2-O 3.43Å
411T69.9Low81.3Confident124 Ų12445.6 Ų45.676%0.76124%0.243SC*.THydrogen-bonded Turntrans-144104.6176.255.20000110.1
412P73.2Confident80.9Confident91 Ų9147 Ų4759%0.59125%0.247SC*.THydrogen-bonded Turncis-72.1157.7-3.831.6-35.4000113.2S409 L414S409-P412 PolarHBondContact OG-O 2.82Å; P412-L414 HydrophobicContact CG-CD2 4.26Å; P412-L414 HydrophobicContact CG-CG 4.25Å; P412-L414 PolarHBondContact O-N 3.38Å
413V78.8Confident80.4Confident36 Ų3645.7 Ų45.722%0.21825%0.25CS..THydrogen-bonded Turntrans-75.4108.5175.4178.70000108.5T410 A418 V419T410-V413 WeakPolarHBondContact O-CG2 3.37Å; V413-A418 HydrophobicContact CG1-CB 3.56Å; V413-V419 HydrophobicContact CG1-CG2 4.04Å; V413-V419 WeakPolarHBondContact O-CG2 3.43Å
414L80.4Confident79.9Confident73 Ų7345.8 Ų45.838%0.38225%0.251SS..  trans-102.3-20-174.7-71.5174.9000114.1W402 T406 P412 L416W402-L414 PolarHBondContact NE1-O 3.17Å; T406-L414 HydrophobicContact CG2-CB 3.92Å; T406-L414 PolarHBondContact OG1-O 3.45Å; P412-L414 HydrophobicContact CG-CD2 4.26Å; P412-L414 HydrophobicContact CG-CG 4.25Å; P412-L414 PolarHBondContact O-N 3.38Å; L414-L416 PolarHBondContact O-N 3.28Å
415S84.8Confident79.6Confident0 Ų048.8 Ų48.80%027%0.265CS..  trans-65.8123.7173.8168.10000110.3S403 T406 F417 A418 V419 L495S403-S415 WeakPolarHBondContact CB-OG 3.11Å; T406-S415 WeakPolarHBondContact OG1-CA 3.19Å; T406-S415 PolarHBondContact OG1-N 3.29Å; S415-F417 VanDerWaalsContact C-N 3.31Å; S415-F417 PolarHBondContact O-N 2.78Å; S415-A418 PolarHBondContact O-N 3.42Å; S415-A418 PolarHBondContact OG-N 2.98Å; S415-V419 WeakPolarHBondContact O-CG2 3.26Å; S415-V419 PolarHBondContact O-N 3.18Å; S415-L495 PolarHBondContact OG-O 3.27Å
416L84.4Confident79.3Confident58 Ų5854.8 Ų54.830%0.30429%0.286SS..Hα-helixtrans-64.7-36.7-176.7-68.3173.4000111.6I399 S403 L414 V419 F420I399-L416 HydrophobicContact CB-CD1 4.29Å; I399-L416 HydrophobicContact CG1-CD1 3.97Å; I399-L416 HydrophobicContact CG2-CB 4.09Å; I399-L416 HydrophobicContact CG2-CD1 3.95Å; S403-L416 PolarHBondContact OG-N 3.4Å; L414-L416 PolarHBondContact O-N 3.28Å; L416-V419 PolarHBondContact O-N 3.19Å; L416-F420 HydrophobicContact CB-CE2 4.32Å; L416-F420 WeakPolarHBondContact O-CD2 3.46Å; L416-F420 VanDerWaalsContact O-CG 3.28Å; L416-F420 WeakPolarHBondContact O-CG 3.43Å; L416-F420 PolarHBondContact O-N 3.2Å
417F84.9Confident79Confident9 Ų958.9 Ų58.94%0.03931%0.311CS..Hα-helixtrans-64.7-41.3175.2-66.3-64.5000112.3I399 V400 S403 S415 F420 I421 S440 L495 T496I399-F417 HydrophobicContact CG2-CE1 4.27Å; I399-F417 HydrophobicContact CG2-CE2 3.93Å; I399-F417 HydrophobicContact CG2-CZ 3.77Å; V400-F417 HydrophobicContact CG2-CE2 3.82Å; V400-F417 HydrophobicContact CG2-CZ 3.9Å; S403-F417 WeakPolarHBondContact OG-CD2 3.36Å; S415-F417 VanDerWaalsContact C-N 3.31Å; S415-F417 PolarHBondContact O-N 2.78Å; F417-F420 PolarHBondContact O-N 3.46Å; F417-I421 WeakPolarHBondContact O-CG1 3.44Å; F417-I421 PolarHBondContact O-N 3.13Å; F417-I421 VanDerWaalsContact O-N 3.11Å; F417-S440 WeakPolarHBondContact CD1-OG 3.47Å; F417-S440 WeakPolarHBondContact CE1-OG 3.32Å; F417-L495 HydrophobicContact CD2-CB 4.4Å; F417-L495 HydrophobicContact CD2-CD1 4.41Å; F417-T496 HydrophobicContact CB-CG2 4.22Å
418A82.8Confident78.9Confident0 Ų062 Ų620%032%0.324CS..Hα-helixtrans-65.7-39.7175.600000111.5V413 S415 I421 Q422 H497V413-A418 HydrophobicContact CG1-CB 3.56Å; S415-A418 PolarHBondContact O-N 3.42Å; S415-A418 PolarHBondContact OG-N 2.98Å; A418-I421 PolarHBondContact O-N 3.35Å; A418-Q422 WeakPolarHBondContact O-CB 3.4Å; A418-Q422 VanDerWaalsContact O-CG 3.28Å; A418-Q422 WeakPolarHBondContact O-CG 3.48Å; A418-Q422 PolarHBondContact O-N 2.88Å; A418-H497 HydrophobicContact CB-CB 4.12Å
419V85.3Confident79.4Confident60 Ų6059.7 Ų59.736%0.36432%0.317SS..Hα-helixtrans-60.4-46.9174.7172.40000111.2V413 S415 L416 I421 Q422 L423V413-V419 HydrophobicContact CG1-CG2 4.04Å; V413-V419 WeakPolarHBondContact O-CG2 3.43Å; S415-V419 WeakPolarHBondContact O-CG2 3.26Å; S415-V419 PolarHBondContact O-N 3.18Å; L416-V419 PolarHBondContact O-N 3.19Å; V419-I421 VanDerWaalsContact C-N 3.33Å; V419-I421 PolarHBondContact O-N 3.46Å; V419-Q422 PolarHBondContact O-N 3.37Å; V419-L423 WeakPolarHBondContact O-CB 3.2Å; V419-L423 PolarHBondContact O-N 3.37Å
420F85.1Confident80.1Confident78 Ų7859.4 Ų59.434%0.34231%0.312SS..Hα-helixtrans-61.3-41.5178.9-64.9-38.1000112.4L416 F417 A424L416-F420 HydrophobicContact CB-CE2 4.32Å; L416-F420 WeakPolarHBondContact O-CD2 3.46Å; L416-F420 VanDerWaalsContact O-CG 3.28Å; L416-F420 WeakPolarHBondContact O-CG 3.43Å; L416-F420 PolarHBondContact O-N 3.2Å; F417-F420 PolarHBondContact O-N 3.46Å; F420-A424 WeakPolarHBondContact O-CB 3.39Å; F420-A424 PolarHBondContact O-N 3.31Å; F420-A424 VanDerWaalsContact O-N 3.11Å
421I83.9Confident80.9Confident6 Ų662.8 Ų62.83%0.03133%0.328CS..Hα-helixtrans-71.5-42.4179.8-68.8167.9000111.2I60 F417 A418 V419 L423 A424 E425 T496I60-I421 HydrophobicContact CD1-CG2 3.99Å; F417-I421 WeakPolarHBondContact O-CG1 3.44Å; F417-I421 PolarHBondContact O-N 3.13Å; F417-I421 VanDerWaalsContact O-N 3.11Å; A418-I421 PolarHBondContact O-N 3.35Å; V419-I421 VanDerWaalsContact C-N 3.33Å; V419-I421 PolarHBondContact O-N 3.46Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 2.88Å; I421-A424 CarbonylContact O-C 3.59Å; I421-A424 PolarHBondContact O-N 3.27Å; I421-E425 WeakPolarHBondContact O-CB 3.21Å; I421-E425 PolarHBondContact O-N 3.47Å; I421-T496 HydrophobicContact CD1-CG2 3.25Å
422Q82.4Confident81.8Confident64 Ų6461.4 Ų61.430%0.29931%0.309SS..Hα-helixtrans-65.4-35.8177.6-73.4177.91300112.6A418 V419 A424 K426A418-Q422 WeakPolarHBondContact O-CB 3.4Å; A418-Q422 VanDerWaalsContact O-CG 3.28Å; A418-Q422 WeakPolarHBondContact O-CG 3.48Å; A418-Q422 PolarHBondContact O-N 2.88Å; V419-Q422 PolarHBondContact O-N 3.37Å; Q422-A424 VanDerWaalsContact C-N 3.34Å; Q422-K426 WeakPolarHBondContact O-CG 3.4Å; Q422-K426 PolarHBondContact O-N 3.33Å
423L81.1Confident82.5Confident110 Ų11057 Ų5758%0.57628%0.281SS*.Hα-helixtrans-65.1-41.3173.7-16783.2000111.1V419 I421 K426 T427V419-L423 WeakPolarHBondContact O-CB 3.2Å; V419-L423 PolarHBondContact O-N 3.37Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 2.88Å; L423-K426 PolarHBondContact O-N 3.03Å; L423-T427 PolarHBondContact O-N 3.34Å; L423-T427 PolarHBondContact O-OG1 3.14Å
424A79.5Confident83Confident2 Ų257.6 Ų57.62%0.01728%0.281CS..Hα-helixtrans-72.2-32.6178.800000112.9F420 I421 Q422 T427 Y428 N429 Y432 I433F420-A424 WeakPolarHBondContact O-CB 3.39Å; F420-A424 PolarHBondContact O-N 3.31Å; F420-A424 VanDerWaalsContact O-N 3.11Å; I421-A424 CarbonylContact O-C 3.59Å; I421-A424 PolarHBondContact O-N 3.27Å; Q422-A424 VanDerWaalsContact C-N 3.34Å; A424-T427 WeakPolarHBondContact CA-OG1 3.39Å; A424-T427 CarbonylContact O-C 3.56Å; A424-T427 PolarHBondContact O-N 2.96Å; A424-T427 PolarHBondContact O-OG1 3.25Å; A424-Y428 PolarHBondContact O-N 3.13Å; A424-N429 PolarHBondContact O-N 2.86Å; A424-Y432 HydrophobicContact CB-CD1 3.45Å; A424-Y432 VanDerWaalsContact CB-CD1 3.45Å; A424-Y432 HydrophobicContact CB-CE1 3.93Å; A424-Y432 HydrophobicContact CB-CG 4.49Å; A424-I433 HydrophobicContact CB-CD1 4.19Å; A424-I433 HydrophobicContact CB-CG1 3.47Å; A424-I433 VanDerWaalsContact CB-CG1 3.47Å
425E78.8Confident83.4Confident64 Ų6458.5 Ų58.530%0.29929%0.286SS..Hα-helixtrans-62.8-42.4173.1-177174.9-162.400110.9I60 I421 T427 Y428I60-E425 HydrophobicContact CG2-CG 3.97Å; I421-E425 WeakPolarHBondContact O-CB 3.21Å; I421-E425 PolarHBondContact O-N 3.47Å; E425-T427 PolarHBondContact O-N 3.2Å; E425-Y428 PolarHBondContact O-N 2.93Å
426K78.8Confident83.7Confident166 Ų16659.3 Ų59.372%0.72229%0.292SS*.Hα-helixtrans-61.7-32175.6-72.6175.9-178.4179.80113.5Q422 L423Q422-K426 WeakPolarHBondContact O-CG 3.4Å; Q422-K426 PolarHBondContact O-N 3.33Å; L423-K426 PolarHBondContact O-N 3.03Å
427T77.9Confident84Confident99 Ų9956.5 Ų56.561%0.60728%0.278SS*.Hα-helixtrans-96-1.5-17952.30000112.9L423 A424 E425 N429L423-T427 PolarHBondContact O-N 3.34Å; L423-T427 PolarHBondContact O-OG1 3.14Å; A424-T427 WeakPolarHBondContact CA-OG1 3.39Å; A424-T427 CarbonylContact O-C 3.56Å; A424-T427 PolarHBondContact O-N 2.96Å; A424-T427 PolarHBondContact O-OG1 3.25Å; E425-T427 PolarHBondContact O-N 3.2Å; T427-N429 PolarHBondContact O-N 3.16Å; T427-N429 VanDerWaalsContact O-N 3.12Å
428Y74.4Confident84.4Confident76 Ų7658.9 Ų58.930%0.29829%0.288SS..THydrogen-bonded Turntrans48.731.8-175.2-61.4-73.1000114.3C64 H93 A424 E425 Y430C64-Y428 HydrophobicContact CB-CE1 3.89Å; C64-Y428 WeakPolarHBondContact SG-CE1 3.38Å; H93-Y428 HydrophobicContact CB-CE2 4.1Å; A424-Y428 PolarHBondContact O-N 3.13Å; E425-Y428 PolarHBondContact O-N 2.93Å; Y428-Y430 VanDerWaalsContact O-CD2 3.3Å; Y428-Y430 WeakPolarHBondContact O-CD2 3.31Å; Y428-Y430 WeakPolarHBondContact O-CE2 3.41Å; Y428-Y430 PolarHBondContact O-N 3.23Å; Y428-Y430 VanDerWaalsContact O-N 3.13Å
429N83.7Confident84.9Confident77 Ų7762.6 Ų62.641%0.41231%0.307SS..  trans-86.383.7178-169-20.4000110.6A424 T427 I431 Y432 I433A424-N429 PolarHBondContact O-N 2.86Å; T427-N429 PolarHBondContact O-N 3.16Å; T427-N429 VanDerWaalsContact O-N 3.12Å; N429-I431 VanDerWaalsContact C-N 3.28Å; N429-I431 PolarHBondContact O-N 2.63Å; N429-I431 PolarHBondContact OD1-N 3.07Å; N429-Y432 PolarHBondContact O-N 3.01Å; N429-Y432 PolarHBondContact OD1-N 3.3Å; N429-I433 WeakPolarHBondContact O-CG1 3.17Å; N429-I433 PolarHBondContact O-N 2.96Å; N429-I433 VanDerWaalsContact O-N 3.13Å
430Y84.1Confident85.2Confident16 Ų1660 Ų606%0.06329%0.292CS..Hα-helixtrans-61.8-32-176.9-59.3-74000114I60 F96 P98 Y428 I433 E434I60-Y430 HydrophobicContact CG2-CE1 4.35Å; F96-Y430 WeakPolarHBondContact O-CE2 3.32Å; P98-Y430 HydrophobicContact CB-CD1 4.21Å; P98-Y430 HydrophobicContact CB-CD2 4.09Å; P98-Y430 HydrophobicContact CB-CG 3.76Å; P98-Y430 HydrophobicContact CG-CD1 4.41Å; P98-Y430 HydrophobicContact CG-CG 4.39Å; Y428-Y430 VanDerWaalsContact O-CD2 3.3Å; Y428-Y430 WeakPolarHBondContact O-CD2 3.31Å; Y428-Y430 WeakPolarHBondContact O-CE2 3.41Å; Y428-Y430 PolarHBondContact O-N 3.23Å; Y428-Y430 VanDerWaalsContact O-N 3.13Å; Y430-I433 HydrophobicContact CD1-CD1 4.41Å; Y430-I433 PolarHBondContact O-N 2.88Å; Y430-E434 WeakPolarHBondContact O-CB 3.48Å; Y430-E434 PolarHBondContact O-N 3.31Å
431I85.8Confident85.6Confident109 Ų10956.3 Ų56.356%0.55928%0.276SS*.Hα-helixtrans-65.5-43.4177.6-63.7173.9000109.9N429 E434 I435N429-I431 VanDerWaalsContact C-N 3.28Å; N429-I431 PolarHBondContact O-N 2.63Å; N429-I431 PolarHBondContact OD1-N 3.07Å; I431-E434 PolarHBondContact O-N 3.07Å; I431-I435 HydrophobicContact CG2-CD1 3.76Å; I431-I435 HydrophobicContact CG2-CG1 4.43Å; I431-I435 VanDerWaalsContact O-CG1 3.32Å; I431-I435 WeakPolarHBondContact O-CG1 3.31Å; I431-I435 PolarHBondContact O-N 2.04Å
432Y88.4Confident86.2Confident95 Ų9560.4 Ų60.437%0.37329%0.293SS..Hα-helixtrans-63.6-42.9176.1-179.4-86.8000111.7A424 N429 E434 I435 A436A424-Y432 HydrophobicContact CB-CD1 3.45Å; A424-Y432 VanDerWaalsContact CB-CD1 3.45Å; A424-Y432 HydrophobicContact CB-CE1 3.93Å; A424-Y432 HydrophobicContact CB-CG 4.49Å; N429-Y432 PolarHBondContact O-N 3.01Å; N429-Y432 PolarHBondContact OD1-N 3.3Å; Y432-E434 VanDerWaalsContact C-N 3.33Å; Y432-E434 PolarHBondContact O-N 2.95Å; Y432-I435 PolarHBondContact O-N 3.3Å; Y432-A436 HydrophobicContact CE1-CB 4.35Å; Y432-A436 VanDerWaalsContact O-CB 3.23Å; Y432-A436 WeakPolarHBondContact O-CB 3.06Å; Y432-A436 PolarHBondContact O-N 2.67Å
433I87Confident86.7Confident0 Ų057.8 Ų57.80%028%0.281CS..Hα-helixtrans-57.1-49.6175.4-65169.8000110V56 I60 A424 N429 Y430 A436 C437V56-I433 HydrophobicContact CG1-CG2 4.24Å; I60-I433 HydrophobicContact CD1-CD1 4.03Å; I60-I433 HydrophobicContact CD1-CG2 3.92Å; I60-I433 HydrophobicContact CG2-CD1 4.31Å; A424-I433 HydrophobicContact CB-CD1 4.19Å; A424-I433 HydrophobicContact CB-CG1 3.47Å; A424-I433 VanDerWaalsContact CB-CG1 3.47Å; N429-I433 WeakPolarHBondContact O-CG1 3.17Å; N429-I433 PolarHBondContact O-N 2.96Å; N429-I433 VanDerWaalsContact O-N 3.13Å; Y430-I433 HydrophobicContact CD1-CD1 4.41Å; Y430-I433 PolarHBondContact O-N 2.88Å; I433-A436 PolarHBondContact O-N 2.98Å; I433-C437 VanDerWaalsContact O-CB 3.28Å; I433-C437 WeakPolarHBondContact O-CB 3.45Å; I433-C437 PolarHBondContact O-N 3.17Å; I433-C437 PolarHBondContact O-SG 3.29Å
434E88.6Confident87.3Confident47 Ų4752.6 Ų52.622%0.2225%0.254CS..Hα-helixtrans-62.1-46.7-178.1-168.3175.6144.200112P53 L54 S100 Y430 I431 Y432 C437 F438P53-E434 HydrophobicContact CB-CG 4.23Å; L54-E434 VanDerWaalsContact CD2-CD 3.48Å; L54-E434 HydrophobicContact CD2-CG 4.12Å; L54-E434 WeakPolarHBondContact CD2-OE1 3.23Å; S100-E434 WeakPolarHBondContact CB-OE2 3.48Å; S100-E434 PolarHBondContact OG-OE2 2.88Å; Y430-E434 WeakPolarHBondContact O-CB 3.48Å; Y430-E434 PolarHBondContact O-N 3.31Å; I431-E434 PolarHBondContact O-N 3.07Å; Y432-E434 VanDerWaalsContact C-N 3.33Å; Y432-E434 PolarHBondContact O-N 2.95Å; E434-C437 PolarHBondContact O-N 3.21Å; E434-F438 VanDerWaalsContact O-CB 3.23Å; E434-F438 WeakPolarHBondContact O-CB 3.33Å; E434-F438 PolarHBondContact O-N 3.16Å
435I90.1Very high88Confident93 Ų9352.7 Ų52.748%0.47726%0.255SS..Hα-helixtrans-64-44.4177.3-67.3170.5000111.1I431 Y432 F438 L439I431-I435 HydrophobicContact CG2-CD1 3.76Å; I431-I435 HydrophobicContact CG2-CG1 4.43Å; I431-I435 VanDerWaalsContact O-CG1 3.32Å; I431-I435 WeakPolarHBondContact O-CG1 3.31Å; I431-I435 PolarHBondContact O-N 2.04Å; Y432-I435 PolarHBondContact O-N 3.3Å; I435-F438 PolarHBondContact O-N 3.2Å; I435-L439 HydrophobicContact CG2-CD1 3.92Å; I435-L439 HydrophobicContact CG2-CG 4.3Å; I435-L439 WeakPolarHBondContact O-CB 3.29Å; I435-L439 VanDerWaalsContact O-CG 3.31Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.03Å
436A90.8Very high88.7Confident16 Ų1652.4 Ų52.413%0.13226%0.255CS..Hα-helixtrans-63.4-45.6178.800000111.2Y432 I433 S440Y432-A436 HydrophobicContact CE1-CB 4.35Å; Y432-A436 VanDerWaalsContact O-CB 3.23Å; Y432-A436 WeakPolarHBondContact O-CB 3.06Å; Y432-A436 PolarHBondContact O-N 2.67Å; I433-A436 PolarHBondContact O-N 2.98Å; A436-S440 WeakPolarHBondContact O-CB 3.44Å; A436-S440 PolarHBondContact O-N 3.34Å; A436-S440 VanDerWaalsContact O-N 3.07Å; A436-S440 PolarHBondContact O-OG 3.02Å
437C91.3Very high89.3Confident0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-61.1-46.1175.1-72.50000111.4P53 I433 E434 S440 I441 F492P53-C437 HydrophobicContact CB-CB 3.84Å; P53-C437 HydrophobicContact CG-CB 4.13Å; I433-C437 VanDerWaalsContact O-CB 3.28Å; I433-C437 WeakPolarHBondContact O-CB 3.45Å; I433-C437 PolarHBondContact O-N 3.17Å; I433-C437 PolarHBondContact O-SG 3.29Å; E434-C437 PolarHBondContact O-N 3.21Å; C437-S440 PolarHBondContact O-N 3.36Å; C437-I441 VanDerWaalsContact O-CG2 3.31Å; C437-I441 WeakPolarHBondContact O-CG2 3.31Å; C437-I441 PolarHBondContact O-N 3.41Å; C437-F492 HydrophobicContact CB-CZ 3.78Å
438F92.6Very high89.9Confident58 Ų5839.8 Ų39.825%0.25419%0.191SC..Hα-helixtrans-59.2-51.8177.7173.3-101.7000111.7V49 F50 P53 E434 I435 S440 I441 F442V49-F438 HydrophobicContact CG1-CD2 4.42Å; V49-F438 HydrophobicContact CG1-CE2 4.1Å; F50-F438 HydrophobicContact CD1-CD2 4.33Å; F50-F438 AromaticContact CD1-CE2 3.76Å; F50-F438 HydrophobicContact CD1-CE2 3.76Å; F50-F438 HydrophobicContact CE1-CD2 4.47Å; F50-F438 AromaticContact CE1-CE2 3.5Å; F50-F438 HydrophobicContact CE1-CE2 3.5Å; F50-F438 HydrophobicContact CE1-CZ 4.03Å; F50-F438 HydrophobicContact CZ-CE2 4.07Å; F50-F438 HydrophobicContact CZ-CZ 4.49Å; P53-F438 HydrophobicContact CG-CB 4.07Å; E434-F438 VanDerWaalsContact O-CB 3.23Å; E434-F438 WeakPolarHBondContact O-CB 3.33Å; E434-F438 PolarHBondContact O-N 3.16Å; I435-F438 PolarHBondContact O-N 3.2Å; F438-S440 PolarHBondContact O-N 2.98Å; F438-I441 WeakPolarHBondContact O-CG2 3.46Å; F438-I441 PolarHBondContact O-N 3.25Å; F438-F442 HydrophobicContact CZ-CB 4.43Å; F438-F442 HydrophobicContact CZ-CD2 4.39Å; F438-F442 HydrophobicContact CZ-CG 4.33Å; F438-F442 WeakPolarHBondContact O-CB 2.97Å; F438-F442 PolarHBondContact O-N 3.3Å
439L93.4Very high90.7Very high78 Ų7836.8 Ų36.841%0.40818%0.18SC..Hα-helixtrans-59.3-38179.1-72174.9000112I435 F443I435-L439 HydrophobicContact CG2-CD1 3.92Å; I435-L439 HydrophobicContact CG2-CG 4.3Å; I435-L439 WeakPolarHBondContact O-CB 3.29Å; I435-L439 VanDerWaalsContact O-CG 3.31Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.03Å; L439-F443 WeakPolarHBondContact O-CB 3.21Å; L439-F443 PolarHBondContact O-N 3.49Å
440S92.2Very high90.8Very high6 Ų634.3 Ų34.34%0.04217%0.168CC..Hα-helixtrans-67.4-55.6179.3-54.30000111.9F417 A436 C437 F438 F442 F443 L444F417-S440 WeakPolarHBondContact CD1-OG 3.47Å; F417-S440 WeakPolarHBondContact CE1-OG 3.32Å; A436-S440 WeakPolarHBondContact O-CB 3.44Å; A436-S440 PolarHBondContact O-N 3.34Å; A436-S440 VanDerWaalsContact O-N 3.07Å; A436-S440 PolarHBondContact O-OG 3.02Å; C437-S440 PolarHBondContact O-N 3.36Å; F438-S440 PolarHBondContact O-N 2.98Å; S440-F442 VanDerWaalsContact C-N 3.31Å; S440-F442 PolarHBondContact O-N 2.94Å; S440-F443 PolarHBondContact O-N 3.43Å; S440-L444 WeakPolarHBondContact O-CG 3.5Å; S440-L444 PolarHBondContact O-N 2.78Å; S440-L444 VanDerWaalsContact O-N 3.07Å
441I93.8Very high91Very high0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-66.9-33.9179.9-170.562.1000111.6V49 L52 P53 C437 F438 L444 S445 L488 F492V49-I441 HydrophobicContact CG1-CG2 4.12Å; V49-I441 WeakPolarHBondContact O-CG2 3.48Å; L52-I441 HydrophobicContact CD2-CD1 4.2Å; L52-I441 HydrophobicContact CD2-CG1 4.31Å; P53-I441 HydrophobicContact CG-CG2 4.04Å; C437-I441 VanDerWaalsContact O-CG2 3.31Å; C437-I441 WeakPolarHBondContact O-CG2 3.31Å; C437-I441 PolarHBondContact O-N 3.41Å; F438-I441 WeakPolarHBondContact O-CG2 3.46Å; F438-I441 PolarHBondContact O-N 3.25Å; I441-L444 PolarHBondContact O-N 3.04Å; I441-S445 VanDerWaalsContact O-CB 3.23Å; I441-S445 WeakPolarHBondContact O-CB 3.36Å; I441-S445 PolarHBondContact O-N 2.9Å; I441-S445 PolarHBondContact O-OG 2.91Å; I441-L488 HydrophobicContact CD1-CG 4.08Å; I441-F492 HydrophobicContact CB-CD2 4.16Å; I441-F492 HydrophobicContact CB-CE2 4.35Å; I441-F492 HydrophobicContact CB-CG 4.3Å; I441-F492 HydrophobicContact CD1-CB 3.77Å; I441-F492 HydrophobicContact CD1-CD1 4.44Å; I441-F492 HydrophobicContact CD1-CG 3.97Å
442F94.6Very high91Very high92 Ų9228.5 Ų28.540%0.40414%0.139SC..Hα-helixtrans-63.7-45.1175.8-178.4-116.1000111.4V49 F438 S440 S445 I446V49-F442 HydrophobicContact CG1-CB 4.02Å; V49-F442 HydrophobicContact CG1-CD2 3.99Å; F438-F442 HydrophobicContact CZ-CB 4.43Å; F438-F442 HydrophobicContact CZ-CD2 4.39Å; F438-F442 HydrophobicContact CZ-CG 4.33Å; F438-F442 WeakPolarHBondContact O-CB 2.97Å; F438-F442 PolarHBondContact O-N 3.3Å; S440-F442 VanDerWaalsContact C-N 3.31Å; S440-F442 PolarHBondContact O-N 2.94Å; F442-S445 PolarHBondContact O-N 3.45Å; F442-I446 HydrophobicContact CD1-CD1 3.73Å; F442-I446 HydrophobicContact CD2-CD1 4.46Å; F442-I446 HydrophobicContact CE1-CD1 3.36Å; F442-I446 HydrophobicContact CE1-CG1 4.42Å; F442-I446 HydrophobicContact CE2-CD1 4.15Å; F442-I446 HydrophobicContact CE2-CG1 4.42Å; F442-I446 HydrophobicContact CG-CD1 4.28Å; F442-I446 HydrophobicContact CZ-CD1 3.61Å; F442-I446 HydrophobicContact CZ-CG1 4.31Å; F442-I446 WeakPolarHBondContact O-CG1 3.33Å; F442-I446 PolarHBondContact O-N 3.28Å
443F94.6Very high90.7Very high9 Ų925.6 Ų25.64%0.03913%0.129CC..Hα-helixtrans-63.9-46.7176.4179-107.1000112.2L206 L393 F396 S397 V400 L439 S440 S445 I446 C447L206-F443 HydrophobicContact CD2-CE1 3.76Å; L206-F443 HydrophobicContact CD2-CZ 4.21Å; L393-F443 HydrophobicContact CD2-CD2 4Å; L393-F443 HydrophobicContact CD2-CE2 3.72Å; F396-F443 HydrophobicContact CB-CD1 4.15Å; F396-F443 HydrophobicContact CB-CD2 4.16Å; F396-F443 HydrophobicContact CB-CE1 3.91Å; F396-F443 HydrophobicContact CB-CE2 3.92Å; F396-F443 HydrophobicContact CB-CG 4.26Å; F396-F443 HydrophobicContact CB-CZ 3.79Å; F396-F443 HydrophobicContact CD1-CB 4.31Å; F396-F443 HydrophobicContact CD1-CD1 4.22Å; F396-F443 HydrophobicContact CD1-CG 4.11Å; S397-F443 WeakPolarHBondContact OG-CZ 3.3Å; V400-F443 HydrophobicContact CB-CE1 4.5Å; V400-F443 HydrophobicContact CG2-CD1 3.75Å; V400-F443 HydrophobicContact CG2-CE1 3.72Å; L439-F443 WeakPolarHBondContact O-CB 3.21Å; L439-F443 PolarHBondContact O-N 3.49Å; S440-F443 PolarHBondContact O-N 3.43Å; F443-S445 VanDerWaalsContact C-N 3.29Å; F443-S445 PolarHBondContact O-N 3.13Å; F443-I446 WeakPolarHBondContact O-CB 3.4Å; F443-I446 PolarHBondContact O-N 2.93Å; F443-I446 VanDerWaalsContact O-N 3.14Å; F443-C447 PolarHBondContact O-N 3.23Å
444L93.5Very high90Very high1 Ų130.6 Ų30.61%0.00515%0.148CC..Hα-helixtrans-58.8-42.1175.4-66172.5000111.5L202 V400 S440 I441 C447 V448 L488 F492 L495L202-L444 HydrophobicContact CD1-CD2 3.84Å; L202-L444 HydrophobicContact CD2-CD2 4.46Å; V400-L444 HydrophobicContact CG1-CD2 3.73Å; V400-L444 HydrophobicContact CG2-CD2 4.03Å; S440-L444 WeakPolarHBondContact O-CG 3.5Å; S440-L444 PolarHBondContact O-N 2.78Å; S440-L444 VanDerWaalsContact O-N 3.07Å; I441-L444 PolarHBondContact O-N 3.04Å; L444-C447 PolarHBondContact O-N 2.97Å; L444-V448 WeakPolarHBondContact O-CG2 3.28Å; L444-V448 PolarHBondContact O-N 3.48Å; L444-L488 HydrophobicContact CB-CD1 3.82Å; L444-F492 HydrophobicContact CD1-CB 4.03Å; L444-F492 HydrophobicContact CD1-CD2 4.34Å; L444-L495 HydrophobicContact CD1-CD1 4.07Å
445S93.9Very high89.2Confident5 Ų531.4 Ų31.44%0.03515%0.153CC..Hα-helixtrans-64.7-39.7175.9-58.80000112V49 I441 F442 F443 Y449V49-S445 WeakPolarHBondContact CG2-OG 3.41Å; I441-S445 VanDerWaalsContact O-CB 3.23Å; I441-S445 WeakPolarHBondContact O-CB 3.36Å; I441-S445 PolarHBondContact O-N 2.9Å; I441-S445 PolarHBondContact O-OG 2.91Å; F442-S445 PolarHBondContact O-N 3.45Å; F443-S445 VanDerWaalsContact C-N 3.29Å; F443-S445 PolarHBondContact O-N 3.13Å; S445-Y449 WeakPolarHBondContact O-CB 3.38Å; S445-Y449 WeakPolarHBondContact O-CD2 3.38Å; S445-Y449 VanDerWaalsContact O-CG 3.29Å; S445-Y449 PolarHBondContact O-N 3.31Å
446I92.6Very high88.1Confident58 Ų5833 Ų3330%0.29715%0.153SC..Hα-helixtrans-59.8-51.1172.6-74.2167.5000109.6F442 F443 V448 S450F442-I446 HydrophobicContact CD1-CD1 3.73Å; F442-I446 HydrophobicContact CD2-CD1 4.46Å; F442-I446 HydrophobicContact CE1-CD1 3.36Å; F442-I446 HydrophobicContact CE1-CG1 4.42Å; F442-I446 HydrophobicContact CE2-CD1 4.15Å; F442-I446 HydrophobicContact CE2-CG1 4.42Å; F442-I446 HydrophobicContact CG-CD1 4.28Å; F442-I446 HydrophobicContact CZ-CD1 3.61Å; F442-I446 HydrophobicContact CZ-CG1 4.31Å; F442-I446 WeakPolarHBondContact O-CG1 3.33Å; F442-I446 PolarHBondContact O-N 3.28Å; F443-I446 WeakPolarHBondContact O-CB 3.4Å; F443-I446 PolarHBondContact O-N 2.93Å; F443-I446 VanDerWaalsContact O-N 3.14Å; I446-V448 VanDerWaalsContact C-N 3.34Å; I446-V448 PolarHBondContact O-N 3.2Å; I446-S450 WeakPolarHBondContact O-CB 3.27Å; I446-S450 PolarHBondContact O-N 3.25Å; I446-S450 PolarHBondContact O-OG 3.46Å
447C91.8Very high86.8Confident0 Ų035 Ų350%016%0.163CC..Hα-helixtrans-56.8-47.1-179.4-71.50000112L202 F443 L444 T451L202-C447 HydrophobicContact CD1-CB 3.99Å; F443-C447 PolarHBondContact O-N 3.23Å; L444-C447 PolarHBondContact O-N 2.97Å; C447-T451 WeakPolarHBondContact O-CB 3.44Å; C447-T451 PolarHBondContact O-N 3.48Å; C447-T451 PolarHBondContact O-OG1 3.08Å
448V91.1Very high85.1Confident0 Ų041.6 Ų41.60%019%0.192CC..Hα-helixtrans-74.6-53.9-177.2176.30000111.4L198 L201 L202 L444 I446 T451 V452 L484 L488L198-V448 HydrophobicContact CD1-CG1 4.17Å; L198-V448 HydrophobicContact CD1-CG2 3.6Å; L201-V448 HydrophobicContact CB-CG1 4.38Å; L201-V448 HydrophobicContact CD1-CG1 4.35Å; L202-V448 HydrophobicContact CB-CG2 4.22Å; L202-V448 HydrophobicContact CD1-CG2 4.14Å; L444-V448 WeakPolarHBondContact O-CG2 3.28Å; L444-V448 PolarHBondContact O-N 3.48Å; I446-V448 VanDerWaalsContact C-N 3.34Å; I446-V448 PolarHBondContact O-N 3.2Å; V448-T451 WeakPolarHBondContact O-CB 3.11Å; V448-T451 PolarHBondContact O-N 2.83Å; V448-V452 WeakPolarHBondContact O-CG2 3.07Å; V448-V452 PolarHBondContact O-N 3.45Å; V448-L484 HydrophobicContact CG1-CB 4.49Å; V448-L484 HydrophobicContact CG1-CD1 3.9Å; V448-L488 HydrophobicContact CG2-CD1 4.18Å
449Y90.7Very high83.5Confident13 Ų1344.6 Ų44.65%0.05121%0.211CC..Hα-helixtrans-70.7-38.8-173.5-59.5-25.5000112.4F46 S445 T451 V452 F453 F481 T485 L488F46-Y449 HydrophobicContact CD1-CD2 4.16Å; F46-Y449 HydrophobicContact CD1-CE2 4.03Å; F46-Y449 AromaticContact CE1-CD2 3.98Å; F46-Y449 HydrophobicContact CE1-CD2 3.98Å; F46-Y449 HydrophobicContact CE1-CE2 4.24Å; S445-Y449 WeakPolarHBondContact O-CB 3.38Å; S445-Y449 WeakPolarHBondContact O-CD2 3.38Å; S445-Y449 VanDerWaalsContact O-CG 3.29Å; S445-Y449 PolarHBondContact O-N 3.31Å; Y449-T451 VanDerWaalsContact C-N 3.25Å; Y449-T451 PolarHBondContact O-N 2.89Å; Y449-V452 WeakPolarHBondContact O-CB 3.22Å; Y449-V452 PolarHBondContact O-N 3.39Å; Y449-V452 VanDerWaalsContact O-N 3.12Å; Y449-F453 WeakPolarHBondContact O-CD2 3.27Å; Y449-F453 PolarHBondContact O-N 3.13Å; Y449-F481 AromaticContact CD1-CD1 3.39Å; Y449-F481 HydrophobicContact CD1-CD1 3.39Å; Y449-F481 AromaticContact CD1-CE1 3.46Å; Y449-F481 HydrophobicContact CD1-CE1 3.46Å; Y449-F481 VanDerWaalsContact CD1-CE1 3.46Å; Y449-F481 AromaticContact CE1-CD1 3.69Å; Y449-F481 HydrophobicContact CE1-CD1 3.69Å; Y449-F481 HydrophobicContact CE1-CE1 4.23Å; Y449-F481 HydrophobicContact CG-CD1 4.07Å; Y449-F481 AromaticContact CG-CE1 3.77Å; Y449-F481 HydrophobicContact CG-CE1 3.77Å; Y449-T485 PolarHBondContact OH-OG1 3.32Å; Y449-L488 HydrophobicContact CE1-CD2 4.28Å
450S86.9Confident81.9Confident25 Ų2548 Ų4818%0.17522%0.219CC..Hα-helixtrans-64.5-3317571.30000112I209 I446 F453 R454I209-S450 WeakPolarHBondContact CD1-OG 3.4Å; I446-S450 WeakPolarHBondContact O-CB 3.27Å; I446-S450 PolarHBondContact O-N 3.25Å; I446-S450 PolarHBondContact O-OG 3.46Å; S450-F453 PolarHBondContact O-N 3.44Å; S450-R454 WeakPolarHBondContact O-CB 3.49Å; S450-R454 VanDerWaalsContact O-CG 3.24Å; S450-R454 WeakPolarHBondContact O-CG 3.43Å; S450-R454 PolarHBondContact O-N 3.46Å
451T87.2Confident80.9Confident2 Ų247.9 Ų47.91%0.01222%0.218CC..Hα-helixtrans-65.1-43171.6-59.40000110.9L201 Y204 G205 C447 V448 Y449 F453 R454 I455L201-T451 HydrophobicContact CB-CG2 4.42Å; L201-T451 HydrophobicContact CD2-CG2 3.59Å; Y204-T451 HydrophobicContact CD1-CG2 3.38Å; Y204-T451 HydrophobicContact CE1-CG2 3.91Å; Y204-T451 HydrophobicContact CG-CG2 4.27Å; G205-T451 WeakPolarHBondContact CA-OG1 3.48Å; C447-T451 WeakPolarHBondContact O-CB 3.44Å; C447-T451 PolarHBondContact O-N 3.48Å; C447-T451 PolarHBondContact O-OG1 3.08Å; V448-T451 WeakPolarHBondContact O-CB 3.11Å; V448-T451 PolarHBondContact O-N 2.83Å; Y449-T451 VanDerWaalsContact C-N 3.25Å; Y449-T451 PolarHBondContact O-N 2.89Å; T451-F453 VanDerWaalsContact C-N 3.3Å; T451-F453 PolarHBondContact O-N 3.39Å; T451-R454 PolarHBondContact O-N 2.86Å; T451-R454 VanDerWaalsContact O-N 3.07Å; T451-I455 WeakPolarHBondContact O-CB 3.5Å; T451-I455 WeakPolarHBondContact O-CG2 3.34Å; T451-I455 PolarHBondContact O-N 3.1Å
452V86.3Confident80Confident0 Ų050.3 Ų50.30%023%0.227CC..Hα-helixtrans-59.9-37.31741700000112.4L201 V448 Y449 R454 Y461 L480 F481 L484L201-V452 HydrophobicContact CD1-CG2 3.8Å; V448-V452 WeakPolarHBondContact O-CG2 3.07Å; V448-V452 PolarHBondContact O-N 3.45Å; Y449-V452 WeakPolarHBondContact O-CB 3.22Å; Y449-V452 PolarHBondContact O-N 3.39Å; Y449-V452 VanDerWaalsContact O-N 3.12Å; V452-R454 VanDerWaalsContact C-N 3.35Å; V452-Y461 WeakPolarHBondContact CG1-OH 3.27Å; V452-Y461 VanDerWaalsContact O-CE1 3.27Å; V452-Y461 WeakPolarHBondContact O-CE1 3.45Å; V452-Y461 PolarHBondContact O-OH 3.14Å; V452-L480 HydrophobicContact CB-CD2 4.35Å; V452-L480 HydrophobicContact CG1-CD2 3.78Å; V452-L480 HydrophobicContact CG1-CG 4.41Å; V452-L480 HydrophobicContact CG2-CD2 3.75Å; V452-L480 HydrophobicContact CG2-CG 4.2Å; V452-F481 HydrophobicContact CB-CE1 3.77Å; V452-F481 HydrophobicContact CB-CZ 4.26Å; V452-F481 HydrophobicContact CG1-CD1 4.24Å; V452-F481 HydrophobicContact CG1-CE1 3.55Å; V452-F481 HydrophobicContact CG1-CZ 3.74Å; V452-F481 HydrophobicContact CG2-CE1 4.25Å; V452-L484 HydrophobicContact CG2-CD1 3.73Å
453F81.5Confident79.1Confident35 Ų3546.3 Ų46.315%0.15421%0.21CC..Hα-helixtrans-71.9-26.9175-77.1-70.8000113.3Y24 W42 F46 Y449 S450 T451 L463 F481Y24-F453 HydrophobicContact CD2-CE1 4.22Å; Y24-F453 AromaticContact CE2-CD1 3.99Å; Y24-F453 HydrophobicContact CE2-CD1 3.99Å; Y24-F453 AromaticContact CE2-CE1 3.86Å; Y24-F453 HydrophobicContact CE2-CE1 3.86Å; Y24-F453 AromaticContact CZ-CD1 3.92Å; W42-F453 AromaticContact CH2-CE1 3.94Å; W42-F453 HydrophobicContact CH2-CE1 3.94Å; W42-F453 HydrophobicContact CH2-CZ 4.34Å; W42-F453 HydrophobicContact CZ2-CE1 4.13Å; W42-F453 HydrophobicContact CZ2-CZ 4.45Å; F46-F453 HydrophobicContact CZ-CZ 4.46Å; Y449-F453 WeakPolarHBondContact O-CD2 3.27Å; Y449-F453 PolarHBondContact O-N 3.13Å; S450-F453 PolarHBondContact O-N 3.44Å; T451-F453 VanDerWaalsContact C-N 3.3Å; T451-F453 PolarHBondContact O-N 3.39Å; F453-L463 HydrophobicContact CD1-CD1 3.64Å; F453-L463 HydrophobicContact CD1-CG 4.46Å; F453-L463 HydrophobicContact CE1-CD1 4.06Å; F453-L463 HydrophobicContact CE1-CD2 4.48Å; F453-F481 HydrophobicContact CD2-CZ 4.1Å; F453-F481 HydrophobicContact CE1-CE2 4.44Å; F453-F481 HydrophobicContact CE1-CZ 4.28Å; F453-F481 HydrophobicContact CE2-CE1 4.41Å; F453-F481 HydrophobicContact CE2-CE2 4.18Å; F453-F481 AromaticContact CE2-CZ 3.49Å; F453-F481 HydrophobicContact CE2-CZ 3.49Å; F453-F481 VanDerWaalsContact CE2-CZ 3.49Å; F453-F481 AromaticContact CZ-CE2 3.81Å; F453-F481 HydrophobicContact CZ-CE2 3.81Å; F453-F481 AromaticContact CZ-CZ 3.58Å; F453-F481 HydrophobicContact CZ-CZ 3.58Å
454R73.4Confident78.2Confident105 Ų10545.9 Ų45.940%0.39621%0.208SC..Hα-helixtrans-94.5-31.4-175.6-73.3176.4-179.1-153.50.7113.8S212 S450 T451 V452 R456S212-R454 PolarHBondContact OG-NH1 2.88Å; S450-R454 WeakPolarHBondContact O-CB 3.49Å; S450-R454 VanDerWaalsContact O-CG 3.24Å; S450-R454 WeakPolarHBondContact O-CG 3.43Å; S450-R454 PolarHBondContact O-N 3.46Å; T451-R454 PolarHBondContact O-N 2.86Å; T451-R454 VanDerWaalsContact O-N 3.07Å; V452-R454 VanDerWaalsContact C-N 3.35Å; R454-R456 PolarHBondContact O-N 3.22Å
455I71.3Confident77.4Confident63 Ų6347.6 Ų47.632%0.32322%0.221SC..  trans-66.5128.8-172.7-160.9168.4000110.4L201 T451 V457 Y461L201-I455 HydrophobicContact CD2-CD1 4.29Å; T451-I455 WeakPolarHBondContact O-CB 3.5Å; T451-I455 WeakPolarHBondContact O-CG2 3.34Å; T451-I455 PolarHBondContact O-N 3.1Å; I455-V457 HydrophobicContact CD1-CG2 4.37Å; I455-V457 HydrophobicContact CG1-CG2 4.24Å; I455-V457 HydrophobicContact CG2-CG2 4.32Å; I455-Y461 HydrophobicContact CG2-CD1 4.24Å; I455-Y461 HydrophobicContact CG2-CE1 3.88Å
456R67.2Low76.8Confident126 Ų12652.2 Ų52.248%0.47524%0.241SC..  trans-99.2107.8167.4-73.6-178.6178.8-169.20.4107.2E236 R454 F458 Y462E236-R456 IonicContact OE1-NH1 2.68Å; E236-R456 PolarHBondContact OE1-NH1 3.24Å; R454-R456 PolarHBondContact O-N 3.22Å; R456-F458 PolarHBondContact O-N 3.3Å; R456-Y462 HydrophobicContact CG-CD2 3.59Å; R456-Y462 HydrophobicContact CG-CE2 4.18Å; R456-Y462 HydrophobicContact CG-CG 4.43Å; R456-Y462 VanDerWaalsContact NE-CE2 3.35Å
457V62.2Low76.3Confident58 Ų5852.3 Ų52.335%0.35224%0.241SC..BIsolated β-bridgetrans-89.796.6173.9-176.70000107.5I455 N459 Y460 Y461I455-V457 HydrophobicContact CD1-CG2 4.37Å; I455-V457 HydrophobicContact CG1-CG2 4.24Å; I455-V457 HydrophobicContact CG2-CG2 4.32Å; V457-N459 PolarHBondContact O-N 3.37Å; V457-N459 VanDerWaalsContact O-N 3.16Å; V457-Y460 PolarHBondContact O-N 2.9Å; V457-Y460 VanDerWaalsContact O-N 3.1Å; V457-Y461 HydrophobicContact CG2-CD1 4.31Å; V457-Y461 PolarHBondContact N-O 3.26Å; V457-Y461 PolarHBondContact O-N 3.32Å
458F57Low75.7Confident139 Ų13953.6 Ų53.661%0.6125%0.247SC*.THydrogen-bonded Turntrans48.5-117.4-171.4-58.9-78.4000110.6R456 Y460 F561R456-F458 PolarHBondContact O-N 3.3Å; F458-Y460 HydrophobicContact CB-CD2 4.34Å; F458-F561 AromaticContact CD1-CZ 3.99Å; F458-F561 HydrophobicContact CD1-CZ 3.99Å; F458-F561 HydrophobicContact CE1-CZ 4.34Å
459N57.9Low75.3Confident121 Ų12153.8 Ų53.865%0.64725%0.248SC*.THydrogen-bonded Turntrans-117.33.2174.7-71.3-34.6000113.2V457V457-N459 PolarHBondContact O-N 3.37Å; V457-N459 VanDerWaalsContact O-N 3.16Å
460Y59.6Low74.9Confident151 Ų15154.6 Ų54.659%0.59225%0.253SS*.THydrogen-bonded Turntrans-84.1-33.6-174.1-71.4-72.8000112.8V457 F458 Y472V457-Y460 PolarHBondContact O-N 2.9Å; V457-Y460 VanDerWaalsContact O-N 3.1Å; F458-Y460 HydrophobicContact CB-CD2 4.34Å; Y460-Y472 WeakPolarHBondContact O-CD1 3.42Å; Y460-Y472 WeakPolarHBondContact O-CE1 3.44Å
461Y72.9Confident74.9Confident3 Ų354 Ų541%0.01225%0.25CC..BIsolated β-bridgetrans-131.2122.2-176.5172.5-106.4000111.2V452 I455 V457 L463 S473 F476V452-Y461 WeakPolarHBondContact CG1-OH 3.27Å; V452-Y461 VanDerWaalsContact O-CE1 3.27Å; V452-Y461 WeakPolarHBondContact O-CE1 3.45Å; V452-Y461 PolarHBondContact O-OH 3.14Å; I455-Y461 HydrophobicContact CG2-CD1 4.24Å; I455-Y461 HydrophobicContact CG2-CE1 3.88Å; V457-Y461 HydrophobicContact CG2-CD1 4.31Å; V457-Y461 PolarHBondContact N-O 3.26Å; V457-Y461 PolarHBondContact O-N 3.32Å; Y461-L463 HydrophobicContact CE2-CD1 4.06Å; Y461-L463 WeakPolarHBondContact OH-CD1 3.27Å; Y461-S473 WeakPolarHBondContact CE2-O 3.41Å; Y461-F476 HydrophobicContact CD1-CD1 4.29Å; Y461-F476 HydrophobicContact CD1-CE1 4.2Å; Y461-F476 HydrophobicContact CD2-CB 4.05Å; Y461-F476 AromaticContact CD2-CD1 3.17Å; Y461-F476 HydrophobicContact CD2-CD1 3.17Å; Y461-F476 AromaticContact CD2-CE1 3.88Å; Y461-F476 HydrophobicContact CD2-CE1 3.88Å; Y461-F476 AromaticContact CD2-CG 3.94Å; Y461-F476 HydrophobicContact CD2-CG 3.94Å; Y461-F476 HydrophobicContact CE2-CB 4.43Å; Y461-F476 AromaticContact CE2-CD1 3.55Å; Y461-F476 HydrophobicContact CE2-CD1 3.55Å; Y461-F476 HydrophobicContact CE2-CE1 4.32Å; Y461-F476 HydrophobicContact CE2-CG 4.45Å; Y461-F476 AromaticContact CG-CD1 3.55Å; Y461-F476 HydrophobicContact CG-CD1 3.55Å; Y461-F476 AromaticContact CG-CE1 3.76Å; Y461-F476 HydrophobicContact CG-CE1 3.76Å; Y461-F476 HydrophobicContact CG-CG 4.49Å
462Y73.4Confident74.9Confident50 Ų5056.1 Ų56.120%0.19626%0.258CS..  trans-160.2130.3174.4173.6-111.7000111.1Q326 R456 A464 S473Q326-Y462 VanDerWaalsContact NE2-CZ 3.33Å; Q326-Y462 PolarHBondContact NE2-OH 3.35Å; R456-Y462 HydrophobicContact CG-CD2 3.59Å; R456-Y462 HydrophobicContact CG-CE2 4.18Å; R456-Y462 HydrophobicContact CG-CG 4.43Å; R456-Y462 VanDerWaalsContact NE-CE2 3.35Å; Y462-A464 HydrophobicContact CD1-CB 4.13Å; Y462-A464 HydrophobicContact CE1-CB 3.55Å; Y462-S473 PolarHBondContact N-OG 3.1Å; Y462-S473 VanDerWaalsContact O-CB 3.3Å; Y462-S473 WeakPolarHBondContact O-CB 3.37Å; Y462-S473 PolarHBondContact O-OG 3.4Å
463L76.1Confident75Confident8 Ų856.3 Ų56.34%0.04226%0.259CS..  trans-94.5114.8172.6-82.5141.8000110.2Y24 W42 F453 Y461 T469 L474Y24-L463 HydrophobicContact CD1-CB 3.99Å; Y24-L463 HydrophobicContact CD1-CD2 3.93Å; Y24-L463 HydrophobicContact CE1-CB 4.07Å; Y24-L463 HydrophobicContact CG-CD2 3.95Å; W42-L463 HydrophobicContact CH2-CD2 4.37Å; W42-L463 HydrophobicContact CZ2-CD2 4.31Å; F453-L463 HydrophobicContact CD1-CD1 3.64Å; F453-L463 HydrophobicContact CD1-CG 4.46Å; F453-L463 HydrophobicContact CE1-CD1 4.06Å; F453-L463 HydrophobicContact CE1-CD2 4.48Å; Y461-L463 HydrophobicContact CE2-CD1 4.06Å; Y461-L463 WeakPolarHBondContact OH-CD1 3.27Å; L463-T469 HydrophobicContact CD2-CG2 3.75Å; L463-T469 HydrophobicContact CG-CG2 4.28Å; L463-L474 HydrophobicContact CD2-CD1 4.41Å
464A75.4Confident75.4Confident0 Ų054.6 Ų54.60%025%0.252CS..  trans-102.4127.1176.600000109.5R322 Y462 Q468 T469R322-A464 HydrophobicContact CG-CB 4.46Å; Y462-A464 HydrophobicContact CD1-CB 4.13Å; Y462-A464 HydrophobicContact CE1-CB 3.55Å; A464-Q468 HydrophobicContact CB-CB 3.84Å; A464-T469 PolarHBondContact N-OG1 3.37Å; A464-T469 PolarHBondContact O-N 2.82Å; A464-T469 PolarHBondContact O-OG1 3.44Å
465S76.9Confident76.3Confident38 Ų3849.6 Ų49.627%0.26623%0.233SC..THydrogen-bonded Turntrans-66.5172.4171.6480000111.8
466H81.7Confident77.2Confident101 Ų10149.2 Ų49.247%0.46823%0.229SC..THydrogen-bonded Turntrans62.643.1179-54.7-93.9000113.5R23 I329 Q468R23-H466 PolarHBondContact O-N 3.03Å; I329-H466 HydrophobicContact CD1-CB 4.04Å; I329-H466 WeakPolarHBondContact CD1-CD2 3.38Å; H466-Q468 WeakPolarHBondContact O-CG 3.23Å; H466-Q468 PolarHBondContact O-N 3.02Å; H466-Q468 VanDerWaalsContact O-N 3.16Å; H466-Q468 PolarHBondContact O-NE2 3.42Å
467H81.1Confident78.3Confident61 Ų6143.2 Ų43.228%0.28221%0.206SC..THydrogen-bonded Turntrans65.319.8171.5-49.2177.9000113.8H22 R23 Y24 D26H22-H467 AromaticContact CD2-NE2 3.91Å; H22-H467 AromaticContact CE1-CE1 3.62Å; H22-H467 AromaticContact CE1-NE2 3.45Å; H22-H467 PolarHBondContact CE1-NE2 2.98Å; H22-H467 AromaticContact ND1-NE2 3.73Å; H22-H467 AromaticContact NE2-CE1 3.44Å; H22-H467 PolarHBondContact NE2-CE1 3.5Å; H22-H467 AromaticContact NE2-NE2 3.55Å; H22-H467 PolarHBondContact O-CD2 3.25Å; H22-H467 PolarHBondContact O-NE2 3.02Å; R23-H467 PolarHBondContact O-N 3.49Å; Y24-H467 CarbonylContact O-C 3.49Å; Y24-H467 WeakPolarHBondContact O-CA 3.29Å; D26-H467 HydrophobicContact CB-CB 3.84Å
468Q79.7Confident79.7Confident27 Ų2740.4 Ų40.413%0.12619%0.189CC..THydrogen-bonded Turntrans-99.13-178.6-56.4-49.6-50.900113.7R322 V325 A464 H466 D470R322-Q468 HydrophobicContact CG-CB 4.21Å; V325-Q468 HydrophobicContact CB-CG 3.84Å; V325-Q468 HydrophobicContact CG1-CG 3.57Å; V325-Q468 HydrophobicContact CG2-CG 4.26Å; A464-Q468 HydrophobicContact CB-CB 3.84Å; H466-Q468 WeakPolarHBondContact O-CG 3.23Å; H466-Q468 PolarHBondContact O-N 3.02Å; H466-Q468 VanDerWaalsContact O-N 3.16Å; H466-Q468 PolarHBondContact O-NE2 3.42Å; Q468-D470 PolarHBondContact O-N 3.5Å
469T82.2Confident81.3Confident4 Ų434.5 Ų34.53%0.02516%0.164CC..  trans-71.4130.3176.3-59.60000110.1Y24 Q30 L463 A464 L474Y24-T469 WeakPolarHBondContact O-CB 3.5Å; Y24-T469 PolarHBondContact O-N 3.49Å; Y24-T469 VanDerWaalsContact O-N 3.08Å; Y24-T469 PolarHBondContact O-OG1 3.1Å; Y24-T469 VanDerWaalsContact O-OG1 3.14Å; Q30-T469 PolarHBondContact NE2-O 2.89Å; L463-T469 HydrophobicContact CD2-CG2 3.75Å; L463-T469 HydrophobicContact CG-CG2 4.28Å; A464-T469 PolarHBondContact N-OG1 3.37Å; A464-T469 PolarHBondContact O-N 2.82Å; A464-T469 PolarHBondContact O-OG1 3.44Å; T469-L474 HydrophobicContact CG2-CB 4.07Å; T469-L474 HydrophobicContact CG2-CD1 4.38Å
470D83.6Confident82.8Confident29 Ų2929.7 Ų29.716%0.15514%0.138CC..  trans-70.8150175.2-170.617.8000111.8Q318 Q468 Y472 S473 L474Q318-D470 PolarHBondContact NE2-OD1 3.47Å; Q318-D470 PolarHBondContact OE1-OD1 3.16Å; Q468-D470 PolarHBondContact O-N 3.5Å; D470-Y472 PolarHBondContact O-N 3.25Å; D470-S473 PolarHBondContact O-N 3.07Å; D470-S473 VanDerWaalsContact O-N 3.15Å; D470-L474 WeakPolarHBondContact O-CB 3.39Å; D470-L474 PolarHBondContact O-N 3.38Å
471A86.3Confident84.3Confident14 Ų1422.5 Ų22.512%0.11611%0.11CC..Hα-helixtrans-51.9-39.8174.200000111.6V34 A133 L474 L475V34-A471 HydrophobicContact CG1-CB 3.99Å; V34-A471 HydrophobicContact CG2-CB 4.37Å; A133-A471 HydrophobicContact CB-CB 3.95Å; A471-L474 PolarHBondContact O-N 3.37Å; A471-L475 WeakPolarHBondContact O-CB 3.47Å; A471-L475 WeakPolarHBondContact O-CD1 3.5Å; A471-L475 WeakPolarHBondContact O-CG 3.25Å; A471-L475 PolarHBondContact O-N 3.34Å
472Y86.4Confident85.2Confident45 Ų4522.4 Ų22.418%0.17611%0.109CC..Hα-helixtrans-60-52.9176.9-178.5-84.6000112.4Q130 Y460 D470 L474 L475 F476Q130-Y472 HydrophobicContact CG-CD2 3.27Å; Q130-Y472 HydrophobicContact CG-CE2 3.43Å; Q130-Y472 VanDerWaalsContact CG-CE2 3.43Å; Q130-Y472 HydrophobicContact CG-CG 4.02Å; Q130-Y472 PolarHBondContact NE2-OH 2.98Å; Q130-Y472 VanDerWaalsContact NE2-OH 3.12Å; Y460-Y472 WeakPolarHBondContact O-CD1 3.42Å; Y460-Y472 WeakPolarHBondContact O-CE1 3.44Å; D470-Y472 PolarHBondContact O-N 3.25Å; Y472-L474 VanDerWaalsContact C-N 3.29Å; Y472-L474 PolarHBondContact O-N 3.35Å; Y472-L475 PolarHBondContact O-N 2.88Å; Y472-F476 WeakPolarHBondContact O-CB 3.26Å; Y472-F476 PolarHBondContact O-N 3.42Å
473S88.4Confident85.9Confident4 Ų422.2 Ų22.23%0.02811%0.108CC..Hα-helixtrans-66-35.1-179.1-71.80000111.6Y461 Y462 D470 F476 S477Y461-S473 WeakPolarHBondContact CE2-O 3.41Å; Y462-S473 PolarHBondContact N-OG 3.1Å; Y462-S473 VanDerWaalsContact O-CB 3.3Å; Y462-S473 WeakPolarHBondContact O-CB 3.37Å; Y462-S473 PolarHBondContact O-OG 3.4Å; D470-S473 PolarHBondContact O-N 3.07Å; D470-S473 VanDerWaalsContact O-N 3.15Å; S473-F476 PolarHBondContact O-N 2.99Å; S473-S477 PolarHBondContact O-N 2.78Å
474L90.3Very high86.5Confident0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-66.2-45.4178-168.669.4000112L21 Q30 V34 T38 W42 L463 T469 D470 A471 Y472 S477 G478L21-L474 HydrophobicContact CD1-CD1 3.66Å; L21-L474 HydrophobicContact CD1-CD2 3.7Å; L21-L474 HydrophobicContact CD1-CG 4.09Å; Q30-L474 VanDerWaalsContact OE1-CD2 3.23Å; V34-L474 HydrophobicContact CG1-CD2 4.11Å; T38-L474 HydrophobicContact CG2-CD1 3.79Å; T38-L474 HydrophobicContact CG2-CD2 4.25Å; T38-L474 HydrophobicContact CG2-CG 3.62Å; T38-L474 PolarHBondContact OG1-O 3.1Å; W42-L474 HydrophobicContact CH2-CD1 3.94Å; W42-L474 HydrophobicContact CZ2-CD1 3.75Å; L463-L474 HydrophobicContact CD2-CD1 4.41Å; T469-L474 HydrophobicContact CG2-CB 4.07Å; T469-L474 HydrophobicContact CG2-CD1 4.38Å; D470-L474 WeakPolarHBondContact O-CB 3.39Å; D470-L474 PolarHBondContact O-N 3.38Å; A471-L474 PolarHBondContact O-N 3.37Å; Y472-L474 VanDerWaalsContact C-N 3.29Å; Y472-L474 PolarHBondContact O-N 3.35Å; L474-S477 PolarHBondContact O-N 2.96Å; L474-S477 PolarHBondContact O-OG 3.04Å; L474-G478 PolarHBondContact O-N 3.25Å
475L91.9Very high87.1Confident0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-66.6-40.4175.4-68.9167.8000112V34 L126 M129 Q130 A471 Y472 S477 G478 M479V34-L475 HydrophobicContact CB-CD2 4.41Å; V34-L475 HydrophobicContact CG1-CD1 4.24Å; V34-L475 HydrophobicContact CG1-CD2 3.98Å; V34-L475 HydrophobicContact CG1-CG 3.86Å; V34-L475 HydrophobicContact CG2-CD1 4.06Å; V34-L475 HydrophobicContact CG2-CD2 4.46Å; V34-L475 HydrophobicContact CG2-CG 4.5Å; L126-L475 HydrophobicContact CD2-CD2 3.58Å; M129-L475 VanDerWaalsContact C-CD1 3.43Å; M129-L475 HydrophobicContact CB-CD1 3.68Å; M129-L475 HydrophobicContact CB-CD2 4.03Å; Q130-L475 HydrophobicContact CB-CB 4.38Å; Q130-L475 HydrophobicContact CB-CD1 4.11Å; A471-L475 WeakPolarHBondContact O-CB 3.47Å; A471-L475 WeakPolarHBondContact O-CD1 3.5Å; A471-L475 WeakPolarHBondContact O-CG 3.25Å; A471-L475 PolarHBondContact O-N 3.34Å; Y472-L475 PolarHBondContact O-N 2.88Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 3.29Å; L475-G478 PolarHBondContact O-N 3.47Å; L475-M479 PolarHBondContact O-N 2.85Å
476F90.1Very high87.5Confident54 Ų5420.5 Ų20.524%0.23710%0.097CC..Hα-helixtrans-61.3-41.3176-175.1-88.7000111.7Y461 Y472 S473 G478 M479 L480Y461-F476 HydrophobicContact CD1-CD1 4.29Å; Y461-F476 HydrophobicContact CD1-CE1 4.2Å; Y461-F476 HydrophobicContact CD2-CB 4.05Å; Y461-F476 AromaticContact CD2-CD1 3.17Å; Y461-F476 HydrophobicContact CD2-CD1 3.17Å; Y461-F476 AromaticContact CD2-CE1 3.88Å; Y461-F476 HydrophobicContact CD2-CE1 3.88Å; Y461-F476 AromaticContact CD2-CG 3.94Å; Y461-F476 HydrophobicContact CD2-CG 3.94Å; Y461-F476 HydrophobicContact CE2-CB 4.43Å; Y461-F476 AromaticContact CE2-CD1 3.55Å; Y461-F476 HydrophobicContact CE2-CD1 3.55Å; Y461-F476 HydrophobicContact CE2-CE1 4.32Å; Y461-F476 HydrophobicContact CE2-CG 4.45Å; Y461-F476 AromaticContact CG-CD1 3.55Å; Y461-F476 HydrophobicContact CG-CD1 3.55Å; Y461-F476 AromaticContact CG-CE1 3.76Å; Y461-F476 HydrophobicContact CG-CE1 3.76Å; Y461-F476 HydrophobicContact CG-CG 4.49Å; Y472-F476 WeakPolarHBondContact O-CB 3.26Å; Y472-F476 PolarHBondContact O-N 3.42Å; S473-F476 PolarHBondContact O-N 2.99Å; F476-G478 VanDerWaalsContact C-N 3.34Å; F476-G478 PolarHBondContact O-N 3.34Å; F476-M479 WeakPolarHBondContact O-CB 3.36Å; F476-M479 PolarHBondContact O-N 2.88Å; F476-L480 HydrophobicContact CE1-CD2 4.32Å; F476-L480 WeakPolarHBondContact O-CB 3.45Å; F476-L480 PolarHBondContact O-N 3.19Å
477S91.1Very high87.6Confident0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-60.8-42.7174.975.20000112.2W42 S473 L474 L475 M479 L480 F481W42-S477 WeakPolarHBondContact CZ2-OG 3.27Å; W42-S477 PolarHBondContact NE1-OG 3.22Å; W42-S477 VanDerWaalsContact NE1-OG 3.14Å; S473-S477 PolarHBondContact O-N 2.78Å; L474-S477 PolarHBondContact O-N 2.96Å; L474-S477 PolarHBondContact O-OG 3.04Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 3.29Å; S477-M479 VanDerWaalsContact C-N 3.35Å; S477-M479 PolarHBondContact O-N 2.92Å; S477-L480 PolarHBondContact O-N 2.96Å; S477-F481 VanDerWaalsContact O-CD2 3.24Å; S477-F481 WeakPolarHBondContact O-CD2 3.36Å; S477-F481 WeakPolarHBondContact O-CG 3.47Å; S477-F481 PolarHBondContact O-N 3.2Å
478G92.1Very high88Confident0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-62.4-42.3176.100000112L474 L475 F476 L480 F481 C482L474-G478 PolarHBondContact O-N 3.25Å; L475-G478 PolarHBondContact O-N 3.47Å; F476-G478 VanDerWaalsContact C-N 3.34Å; F476-G478 PolarHBondContact O-N 3.34Å; G478-L480 VanDerWaalsContact C-N 3.33Å; G478-L480 PolarHBondContact O-N 3.23Å; G478-F481 PolarHBondContact O-N 2.66Å; G478-C482 PolarHBondContact O-N 3.29Å; G478-C482 PolarHBondContact O-SG 2.87Å; G478-C482 VanDerWaalsContact O-SG 3.41Å
479M90.8Very high88.4Confident15 Ų1511.6 Ų11.67%0.0746%0.056CC..Hα-helixtrans-62-42.3175.9-173.8-169.6-53.500111.3T122 L126 P127 Q130 L475 F476 S477 R483T122-M479 HydrophobicContact CG2-CG 4.03Å; L126-M479 HydrophobicContact CB-CB 4.45Å; L126-M479 HydrophobicContact CB-CE 4.38Å; L126-M479 HydrophobicContact CD1-CB 4.16Å; P127-M479 HydrophobicContact CB-CE 4.05Å; P127-M479 HydrophobicContact CG-CE 3.55Å; P127-M479 HydrophobicContact CG-SD 4.44Å; Q130-M479 VanDerWaalsContact OE1-CE 3.25Å; L475-M479 PolarHBondContact O-N 2.85Å; F476-M479 WeakPolarHBondContact O-CB 3.36Å; F476-M479 PolarHBondContact O-N 2.88Å; S477-M479 VanDerWaalsContact C-N 3.35Å; S477-M479 PolarHBondContact O-N 2.92Å; M479-R483 WeakPolarHBondContact O-CB 3.21Å; M479-R483 PolarHBondContact O-N 3.25Å; M479-R483 VanDerWaalsContact O-N 3.07Å
480L89.3Confident88.4Confident19 Ų1912 Ų1210%0.0996%0.058CC..Hα-helixtrans-68-42.1-179.9-170.858.2000111.5L197 V452 F476 S477 G478 R483 L484L197-L480 HydrophobicContact CD1-CD1 4.25Å; V452-L480 HydrophobicContact CB-CD2 4.35Å; V452-L480 HydrophobicContact CG1-CD2 3.78Å; V452-L480 HydrophobicContact CG1-CG 4.41Å; V452-L480 HydrophobicContact CG2-CD2 3.75Å; V452-L480 HydrophobicContact CG2-CG 4.2Å; F476-L480 HydrophobicContact CE1-CD2 4.32Å; F476-L480 WeakPolarHBondContact O-CB 3.45Å; F476-L480 PolarHBondContact O-N 3.19Å; S477-L480 PolarHBondContact O-N 2.96Å; G478-L480 VanDerWaalsContact C-N 3.33Å; G478-L480 PolarHBondContact O-N 3.23Å; L480-R483 PolarHBondContact O-N 3.45Å; L480-L484 HydrophobicContact CD1-CD1 3.85Å; L480-L484 HydrophobicContact CD1-CG 4.05Å; L480-L484 HydrophobicContact CD2-CD1 4.42Å; L480-L484 HydrophobicContact CG-CD1 3.66Å; L480-L484 HydrophobicContact CG-CG 4.29Å; L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 VanDerWaalsContact O-CG 3.22Å; L480-L484 WeakPolarHBondContact O-CG 3.5Å; L480-L484 PolarHBondContact O-N 3.16Å
481F91.1Very high88.5Confident0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-62.8-47.3174.8-67.9-43.1000112.4W42 C45 Y449 V452 F453 S477 G478 R483 L484 T485W42-F481 AromaticContact CD1-CD2 3.44Å; W42-F481 VanDerWaalsContact CD1-CD2 3.44Å; W42-F481 AromaticContact CD1-CE2 3.85Å; W42-F481 HydrophobicContact CD2-CE2 4.41Å; W42-F481 AromaticContact CE2-CE2 3.91Å; W42-F481 HydrophobicContact CG-CD2 4.19Å; W42-F481 HydrophobicContact CG-CE2 4.36Å; W42-F481 HydrophobicContact CZ2-CE2 4.46Å; W42-F481 AromaticContact NE1-CD2 3.46Å; W42-F481 AromaticContact NE1-CE2 3.51Å; C45-F481 HydrophobicContact CB-CB 4.02Å; C45-F481 VanDerWaalsContact SG-CB 3.52Å; C45-F481 PolarHBondContact SG-O 3.35Å; C45-F481 VanDerWaalsContact SG-O 3.4Å; Y449-F481 AromaticContact CD1-CD1 3.39Å; Y449-F481 HydrophobicContact CD1-CD1 3.39Å; Y449-F481 AromaticContact CD1-CE1 3.46Å; Y449-F481 HydrophobicContact CD1-CE1 3.46Å; Y449-F481 VanDerWaalsContact CD1-CE1 3.46Å; Y449-F481 AromaticContact CE1-CD1 3.69Å; Y449-F481 HydrophobicContact CE1-CD1 3.69Å; Y449-F481 HydrophobicContact CE1-CE1 4.23Å; Y449-F481 HydrophobicContact CG-CD1 4.07Å; Y449-F481 AromaticContact CG-CE1 3.77Å; Y449-F481 HydrophobicContact CG-CE1 3.77Å; V452-F481 HydrophobicContact CB-CE1 3.77Å; V452-F481 HydrophobicContact CB-CZ 4.26Å; V452-F481 HydrophobicContact CG1-CD1 4.24Å; V452-F481 HydrophobicContact CG1-CE1 3.55Å; V452-F481 HydrophobicContact CG1-CZ 3.74Å; V452-F481 HydrophobicContact CG2-CE1 4.25Å; F453-F481 HydrophobicContact CD2-CZ 4.1Å; F453-F481 HydrophobicContact CE1-CE2 4.44Å; F453-F481 HydrophobicContact CE1-CZ 4.28Å; F453-F481 HydrophobicContact CE2-CE1 4.41Å; F453-F481 HydrophobicContact CE2-CE2 4.18Å; F453-F481 AromaticContact CE2-CZ 3.49Å; F453-F481 HydrophobicContact CE2-CZ 3.49Å; F453-F481 VanDerWaalsContact CE2-CZ 3.49Å; F453-F481 AromaticContact CZ-CE2 3.81Å; F453-F481 HydrophobicContact CZ-CE2 3.81Å; F453-F481 AromaticContact CZ-CZ 3.58Å; F453-F481 HydrophobicContact CZ-CZ 3.58Å; S477-F481 VanDerWaalsContact O-CD2 3.24Å; S477-F481 WeakPolarHBondContact O-CD2 3.36Å; S477-F481 WeakPolarHBondContact O-CG 3.47Å; S477-F481 PolarHBondContact O-N 3.2Å; G478-F481 PolarHBondContact O-N 2.66Å; F481-R483 PolarHBondContact O-N 2.89Å; F481-L484 PolarHBondContact O-N 2.87Å; F481-T485 WeakPolarHBondContact O-CB 3.31Å; F481-T485 PolarHBondContact O-N 3.36Å; F481-T485 PolarHBondContact O-OG1 3.03Å
482C90.8Very high88.6Confident1 Ų110.7 Ų10.71%0.0075%0.049CC..Hα-helixtrans-60.9-31.7177.9-710000112.2A41 C45 T122 G478 P486A41-C482 VanDerWaalsContact CB-SG 3.56Å; C45-C482 PolarHBondContact SG-N 2.88Å; T122-C482 WeakPolarHBondContact OG1-CB 3.46Å; G478-C482 PolarHBondContact O-N 3.29Å; G478-C482 PolarHBondContact O-SG 2.87Å; G478-C482 VanDerWaalsContact O-SG 3.41Å; C482-P486 WeakPolarHBondContact O-CD 3.3Å
483R88.4Confident88.6Confident46 Ų468.5 Ų8.517%0.1744%0.04CC..Hα-helixtrans-78-37.1177.7-173.6178-67.6156.41113.8T122 M479 L480 F481 P487T122-R483 HydrophobicContact CG2-CB 4.26Å; M479-R483 WeakPolarHBondContact O-CB 3.21Å; M479-R483 PolarHBondContact O-N 3.25Å; M479-R483 VanDerWaalsContact O-N 3.07Å; L480-R483 PolarHBondContact O-N 3.45Å; F481-R483 PolarHBondContact O-N 2.89Å; R483-P487 VanDerWaalsContact O-CD 3.27Å; R483-P487 WeakPolarHBondContact O-CD 3.23Å
484L88.4Confident88.2Confident0 Ų08.5 Ų8.50%04%0.041CC..Hα-helixtrans-82.6-22.3-177.2-71.5170.8000113.6L197 L198 L201 V448 V452 L480 F481 P487 L488L197-L484 HydrophobicContact CB-CD2 3.73Å; L198-L484 HydrophobicContact CB-CD2 4.46Å; L201-L484 HydrophobicContact CD1-CD1 3.34Å; L201-L484 HydrophobicContact CD1-CD2 3.89Å; L201-L484 HydrophobicContact CD1-CG 4.26Å; V448-L484 HydrophobicContact CG1-CB 4.49Å; V448-L484 HydrophobicContact CG1-CD1 3.9Å; V452-L484 HydrophobicContact CG2-CD1 3.73Å; L480-L484 HydrophobicContact CD1-CD1 3.85Å; L480-L484 HydrophobicContact CD1-CG 4.05Å; L480-L484 HydrophobicContact CD2-CD1 4.42Å; L480-L484 HydrophobicContact CG-CD1 3.66Å; L480-L484 HydrophobicContact CG-CG 4.29Å; L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 VanDerWaalsContact O-CG 3.22Å; L480-L484 WeakPolarHBondContact O-CG 3.5Å; L480-L484 PolarHBondContact O-N 3.16Å; F481-L484 PolarHBondContact O-N 2.87Å; L484-P487 WeakPolarHBondContact O-CD 3.4Å; L484-P487 WeakPolarHBondContact O-CG 3.22Å; L484-L488 WeakPolarHBondContact O-CB 3.35Å; L484-L488 PolarHBondContact O-N 3.46Å
485T88.6Confident87.9Confident3 Ų38.6 Ų8.62%0.0184%0.041CC..Hα-helixtrans-65.2-43.4-177.3-62.60000113C45 I48 Y449 F481 L488 C489C45-T485 WeakPolarHBondContact CB-OG1 3.27Å; C45-T485 PolarHBondContact SG-OG1 2.83Å; I48-T485 HydrophobicContact CB-CG2 4.23Å; I48-T485 HydrophobicContact CD1-CG2 3.11Å; I48-T485 HydrophobicContact CG1-CG2 4.22Å; I48-T485 HydrophobicContact CG2-CG2 4.09Å; Y449-T485 PolarHBondContact OH-OG1 3.32Å; F481-T485 WeakPolarHBondContact O-CB 3.31Å; F481-T485 PolarHBondContact O-N 3.36Å; F481-T485 PolarHBondContact O-OG1 3.03Å; T485-L488 PolarHBondContact O-N 3.23Å; T485-C489 PolarHBondContact O-N 3.2Å; T485-C489 VanDerWaalsContact O-N 3.16Å; T485-C489 PolarHBondContact O-SG 3.26Å
486P85.3Confident87.5Confident7 Ų78.8 Ų8.85%0.0454%0.042CC..Hα-helixtrans-49.8-58.2171.9-30.435.6000116.1C482 L488 C489 L490 Y512 M516C482-P486 WeakPolarHBondContact O-CD 3.3Å; P486-L488 VanDerWaalsContact C-N 3.34Å; P486-L488 PolarHBondContact O-N 3.12Å; P486-C489 PolarHBondContact O-N 3.11Å; P486-L490 PolarHBondContact O-N 3.45Å; P486-Y512 VanDerWaalsContact CA-OH 3.26Å; P486-Y512 WeakPolarHBondContact CA-OH 3.26Å; P486-Y512 PolarHBondContact O-OH 2.88Å; P486-M516 VanDerWaalsContact CA-CE 3.5Å; P486-M516 HydrophobicContact CB-CE 3.14Å; P486-M516 HydrophobicContact CG-CE 3.28Å
487P84.1Confident86.9Confident2 Ų26.6 Ų6.61%0.0133%0.033CC..Hα-helixtrans-67.9-32179.828.4-37.5000112.5L195 L198 R483 L484 C489 L490 N491L195-P487 HydrophobicContact CB-CB 3.91Å; L195-P487 HydrophobicContact CD1-CB 3.72Å; L195-P487 HydrophobicContact CG-CB 4.37Å; L198-P487 HydrophobicContact CB-CB 4.34Å; L198-P487 HydrophobicContact CB-CG 4.33Å; L198-P487 HydrophobicContact CD2-CB 4.1Å; R483-P487 VanDerWaalsContact O-CD 3.27Å; R483-P487 WeakPolarHBondContact O-CD 3.23Å; L484-P487 WeakPolarHBondContact O-CD 3.4Å; L484-P487 WeakPolarHBondContact O-CG 3.22Å; P487-C489 PolarHBondContact O-N 2.91Å; P487-L490 PolarHBondContact O-N 2.66Å; P487-N491 VanDerWaalsContact O-CB 3.23Å; P487-N491 WeakPolarHBondContact O-CB 3.49Å; P487-N491 PolarHBondContact O-N 3.41Å
488L88.4Confident86.1Confident1 Ų16.8 Ų6.81%0.0053%0.034CC..Hα-helixtrans-59.5-44.8177177.766.4000111.9L198 I441 L444 V448 Y449 L484 T485 P486 N491 F492L198-L488 HydrophobicContact CD1-CB 3.97Å; L198-L488 HydrophobicContact CD1-CD1 3.97Å; I441-L488 HydrophobicContact CD1-CG 4.08Å; L444-L488 HydrophobicContact CB-CD1 3.82Å; V448-L488 HydrophobicContact CG2-CD1 4.18Å; Y449-L488 HydrophobicContact CE1-CD2 4.28Å; L484-L488 WeakPolarHBondContact O-CB 3.35Å; L484-L488 PolarHBondContact O-N 3.46Å; T485-L488 PolarHBondContact O-N 3.23Å; P486-L488 VanDerWaalsContact C-N 3.34Å; P486-L488 PolarHBondContact O-N 3.12Å; L488-N491 PolarHBondContact O-N 3.21Å; L488-F492 PolarHBondContact O-N 3.15Å
489C88.3Confident84.9Confident0 Ų07.1 Ų7.10%04%0.036CC..Hα-helixtrans-69-40.5177.9-55.80000111.9I48 L52 T485 P486 P487 N491 F492 L493 Y512I48-C489 WeakPolarHBondContact CG2-SG 3.14Å; L52-C489 HydrophobicContact CD2-CB 3.74Å; T485-C489 PolarHBondContact O-N 3.2Å; T485-C489 VanDerWaalsContact O-N 3.16Å; T485-C489 PolarHBondContact O-SG 3.26Å; P486-C489 PolarHBondContact O-N 3.11Å; P487-C489 PolarHBondContact O-N 2.91Å; C489-N491 VanDerWaalsContact C-N 3.33Å; C489-F492 PolarHBondContact O-N 3.2Å; C489-L493 WeakPolarHBondContact O-CB 3.33Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3Å; C489-L493 PolarHBondContact O-N 3.3Å; C489-Y512 HydrophobicContact CB-CD1 4.22Å; C489-Y512 HydrophobicContact CB-CE1 3.46Å; C489-Y512 VanDerWaalsContact CB-CE1 3.46Å; C489-Y512 HydrophobicContact CB-CE2 3.95Å; C489-Y512 VanDerWaalsContact CB-OH 3.27Å; C489-Y512 WeakPolarHBondContact CB-OH 3.48Å
490L82.4Confident83.5Confident13 Ų137.4 Ų7.47%0.0684%0.039CC..Hα-helixtrans-63.5-41.7176.8-71.6175.4000111.2P486 P487 L493 G494 Y512P486-L490 PolarHBondContact O-N 3.45Å; P487-L490 PolarHBondContact O-N 2.66Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-G494 PolarHBondContact O-N 3.2Å; L490-Y512 HydrophobicContact CD2-CE1 3.91Å; L490-Y512 HydrophobicContact CG-CE1 4.09Å
491N85.9Confident82Confident13 Ų137.1 Ų7.17%0.074%0.039CC..Hα-helixtrans-59.4-49.6174.4170.3-110.4000111.3L198 E404 P487 L488 C489 L493 G494 L495 Y533L198-N491 HydrophobicContact CD2-CB 3.69Å; E404-N491 PolarHBondContact OE1-ND2 3.19Å; E404-N491 PolarHBondContact OE1-OD1 2.89Å; E404-N491 PolarHBondContact OE2-ND2 3.38Å; P487-N491 VanDerWaalsContact O-CB 3.23Å; P487-N491 WeakPolarHBondContact O-CB 3.49Å; P487-N491 PolarHBondContact O-N 3.41Å; L488-N491 PolarHBondContact O-N 3.21Å; C489-N491 VanDerWaalsContact C-N 3.33Å; N491-L493 PolarHBondContact O-N 2.78Å; N491-G494 PolarHBondContact O-N 2.91Å; N491-L495 WeakPolarHBondContact O-CG 3.41Å; N491-L495 PolarHBondContact O-N 3.44Å; N491-Y533 PolarHBondContact ND2-OH 3.15Å
492F88.8Confident80.5Confident1 Ų17.8 Ų7.80%0.0044%0.042CC..Hα-helixtrans-59.4-44.5175165.4-100.6000113.5L52 V56 C437 I441 L444 L488 C489 G494 L495 T496L52-F492 HydrophobicContact CD2-CD1 3.42Å; L52-F492 VanDerWaalsContact CD2-CD1 3.42Å; L52-F492 HydrophobicContact CD2-CE1 3.88Å; L52-F492 HydrophobicContact CD2-CG 4.35Å; L52-F492 HydrophobicContact CG-CD1 4.1Å; L52-F492 HydrophobicContact CG-CE1 4.07Å; V56-F492 HydrophobicContact CG2-CE1 4.2Å; C437-F492 HydrophobicContact CB-CZ 3.78Å; I441-F492 HydrophobicContact CB-CD2 4.16Å; I441-F492 HydrophobicContact CB-CE2 4.35Å; I441-F492 HydrophobicContact CB-CG 4.3Å; I441-F492 HydrophobicContact CD1-CB 3.77Å; I441-F492 HydrophobicContact CD1-CD1 4.44Å; I441-F492 HydrophobicContact CD1-CG 3.97Å; L444-F492 HydrophobicContact CD1-CB 4.03Å; L444-F492 HydrophobicContact CD1-CD2 4.34Å; L488-F492 PolarHBondContact O-N 3.15Å; C489-F492 PolarHBondContact O-N 3.2Å; F492-G494 VanDerWaalsContact C-N 3.26Å; F492-G494 PolarHBondContact O-N 2.97Å; F492-L495 PolarHBondContact O-N 3.43Å; F492-T496 HydrophobicContact CD2-CG2 4.13Å; F492-T496 HydrophobicContact CE2-CG2 3.6Å; F492-T496 HydrophobicContact CZ-CG2 3.85Å; F492-T496 WeakPolarHBondContact O-CG2 3.31Å; F492-T496 PolarHBondContact O-N 3.38Å; F492-T496 VanDerWaalsContact O-N 3.13Å; F492-T496 PolarHBondContact O-OG1 3.36Å
493L85.9Confident78.8Confident0 Ų08.9 Ų8.90%05%0.05CC..Hα-helixtrans-66.2-30.4177.6-70.3174.5000112.2L52 V56 C489 L490 N491 T496 H497 M498 D499 T510 Y512 T513L52-L493 HydrophobicContact CD1-CD1 4.32Å; L52-L493 HydrophobicContact CD1-CD2 4.41Å; V56-L493 HydrophobicContact CG2-CD2 3.8Å; C489-L493 WeakPolarHBondContact O-CB 3.33Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3Å; C489-L493 PolarHBondContact O-N 3.3Å; L490-L493 PolarHBondContact O-N 3.27Å; N491-L493 PolarHBondContact O-N 2.78Å; L493-T496 WeakPolarHBondContact CA-OG1 3.37Å; L493-T496 PolarHBondContact O-OG1 3.33Å; L493-H497 PolarHBondContact O-N 3.22Å; L493-M498 HydrophobicContact CD2-CB 3.94Å; L493-M498 PolarHBondContact O-N 3.42Å; L493-D499 HydrophobicContact CB-CB 4.48Å; L493-D499 PolarHBondContact O-N 3.07Å; L493-T510 HydrophobicContact CD2-CG2 4.06Å; L493-Y512 HydrophobicContact CD1-CD1 3.52Å; L493-Y512 HydrophobicContact CD1-CE1 4.22Å; L493-Y512 HydrophobicContact CD1-CG 4.33Å; L493-T513 WeakPolarHBondContact CD1-OG1 3.46Å
494G80.9Confident77.1Confident4 Ų414.3 Ų14.34%0.0418%0.077CC..Hα-helixtrans-66-48.7170.800000112.3L490 N491 F492 T496 H497L490-G494 PolarHBondContact O-N 3.2Å; N491-G494 PolarHBondContact O-N 2.91Å; F492-G494 VanDerWaalsContact C-N 3.26Å; F492-G494 PolarHBondContact O-N 2.97Å; G494-T496 PolarHBondContact O-N 3.11Å; G494-H497 PolarHBondContact O-CD2 2.73Å; G494-H497 PolarHBondContact O-N 2.87Å; G494-H497 VanDerWaalsContact O-N 3.14Å
495L83.2Confident75.7Confident1 Ų121.2 Ų21.21%0.00511%0.107CC..Hα-helixtrans-59.1-33.8178.1-70.9178.1000113.5S403 E404 F407 S415 F417 L444 N491 F492S403-L495 VanDerWaalsContact C-CD2 3.43Å; S403-L495 WeakPolarHBondContact O-CD2 3.28Å; E404-L495 HydrophobicContact CB-CD2 4.49Å; E404-L495 HydrophobicContact CG-CD2 4.03Å; F407-L495 HydrophobicContact CB-CD2 4.38Å; F407-L495 HydrophobicContact CD1-CD2 4.43Å; S415-L495 PolarHBondContact OG-O 3.27Å; F417-L495 HydrophobicContact CD2-CB 4.4Å; F417-L495 HydrophobicContact CD2-CD1 4.41Å; L444-L495 HydrophobicContact CD1-CD1 4.07Å; N491-L495 WeakPolarHBondContact O-CG 3.41Å; N491-L495 PolarHBondContact O-N 3.44Å; F492-L495 PolarHBondContact O-N 3.43Å
496T83.4Confident74.1Confident4 Ų429.7 Ų29.73%0.02515%0.152CC..THydrogen-bonded Turntrans-89.1-1.3-177.952.90000113.8F417 I421 F492 L493 G494 M498F417-T496 HydrophobicContact CB-CG2 4.22Å; I421-T496 HydrophobicContact CD1-CG2 3.25Å; F492-T496 HydrophobicContact CD2-CG2 4.13Å; F492-T496 HydrophobicContact CE2-CG2 3.6Å; F492-T496 HydrophobicContact CZ-CG2 3.85Å; F492-T496 WeakPolarHBondContact O-CG2 3.31Å; F492-T496 PolarHBondContact O-N 3.38Å; F492-T496 VanDerWaalsContact O-N 3.13Å; F492-T496 PolarHBondContact O-OG1 3.36Å; L493-T496 WeakPolarHBondContact CA-OG1 3.37Å; L493-T496 PolarHBondContact O-OG1 3.33Å; G494-T496 PolarHBondContact O-N 3.11Å; T496-M498 PolarHBondContact O-N 2.88Å; T496-M498 VanDerWaalsContact O-N 3.16Å
497H78.6Confident73.2Confident9 Ų931.5 Ų31.54%0.04216%0.163CC..THydrogen-bonded Turntrans55.523.3-172.8-66.2-179.9000113.8F407 A418 L493 G494 D499F407-H497 PolarHBondContact O-NE2 3.47Å; A418-H497 HydrophobicContact CB-CB 4.12Å; L493-H497 PolarHBondContact O-N 3.22Å; G494-H497 PolarHBondContact O-CD2 2.73Å; G494-H497 PolarHBondContact O-N 2.87Å; G494-H497 VanDerWaalsContact O-N 3.14Å; H497-D499 VanDerWaalsContact C-N 3.32Å
498M73.3Confident72.7Confident4 Ų435.2 Ų35.22%0.0218%0.18CC..  trans-82.1-15.7173.9-74.5-61.6-62.200112.3V56 T59 I60 R63 L493 T496 T510V56-M498 HydrophobicContact CG1-CE 4.1Å; V56-M498 HydrophobicContact CG1-CG 4Å; V56-M498 HydrophobicContact CG1-SD 4.28Å; V56-M498 HydrophobicContact CG2-CG 4.48Å; T59-M498 HydrophobicContact CG2-CE 3.8Å; I60-M498 HydrophobicContact CD1-CE 4.33Å; I60-M498 HydrophobicContact CD1-SD 4.07Å; I60-M498 HydrophobicContact CG1-CE 3.84Å; I60-M498 HydrophobicContact CG1-SD 4.02Å; R63-M498 PolarHBondContact NH1-SD 3.06Å; R63-M498 VanDerWaalsContact NH1-SD 3.38Å; R63-M498 PolarHBondContact NH2-O 2.95Å; L493-M498 HydrophobicContact CD2-CB 3.94Å; L493-M498 PolarHBondContact O-N 3.42Å; T496-M498 PolarHBondContact O-N 2.88Å; T496-M498 VanDerWaalsContact O-N 3.16Å; M498-T510 HydrophobicContact CB-CG2 4.48Å; M498-T510 HydrophobicContact CE-CG2 4.03Å
499D68.1Low72.4Confident7 Ų737.5 Ų37.54%0.03720%0.195CC..SBendtrans-75.9126.1171-167.33.5000112.2L493 H497 S501 I502 S503L493-D499 HydrophobicContact CB-CB 4.48Å; L493-D499 PolarHBondContact O-N 3.07Å; H497-D499 VanDerWaalsContact C-N 3.32Å; D499-S501 PolarHBondContact O-N 3.44Å; D499-S501 VanDerWaalsContact O-N 3.17Å; D499-S501 PolarHBondContact OD1-N 3.31Å; D499-S501 PolarHBondContact OD1-OG 3.35Å; D499-S501 PolarHBondContact OD2-OG 3.48Å; D499-I502 PolarHBondContact O-N 3.36Å; D499-S503 PolarHBondContact O-N 3.19Å
500S60.4Low72.2Confident21 Ų2137.5 Ų37.515%0.14720%0.195CC..THydrogen-bonded Turntrans-65.4-11.3176.570.30000114.2K520S500-K520 WeakPolarHBondContact O-CE 3.43Å; S500-K520 PolarHBondContact O-NZ 3.01Å
501S58.2Low72.4Confident13 Ų1337.7 Ų37.79%0.09120%0.198CC..THydrogen-bonded Turntrans-75-38.9174.671.10000112.7D499 Y530D499-S501 PolarHBondContact O-N 3.44Å; D499-S501 VanDerWaalsContact O-N 3.17Å; D499-S501 PolarHBondContact OD1-N 3.31Å; D499-S501 PolarHBondContact OD1-OG 3.35Å; D499-S501 PolarHBondContact OD2-OG 3.48Å; S501-Y530 WeakPolarHBondContact CB-OH 3.08Å; S501-Y530 PolarHBondContact OG-OH 3.07Å
502I58.5Low72.4Confident13 Ų1337.2 Ų37.27%0.06720%0.195CC..THydrogen-bonded Turntrans-92.5-39.8-176-68.1152.8000110.2F407 T410 D499 H504 Y530F407-I502 HydrophobicContact CD2-CD1 3.69Å; F407-I502 HydrophobicContact CD2-CG1 4.24Å; F407-I502 HydrophobicContact CD2-CG2 4.37Å; F407-I502 HydrophobicContact CE2-CD1 3.72Å; F407-I502 HydrophobicContact CE2-CG1 4.22Å; F407-I502 WeakPolarHBondContact O-CG2 3.22Å; T410-I502 HydrophobicContact CG2-CG2 4.03Å; T410-I502 WeakPolarHBondContact CG2-O 3.43Å; D499-I502 PolarHBondContact O-N 3.36Å; I502-H504 PolarHBondContact O-CD2 3.38Å; I502-H504 PolarHBondContact O-N 2.81Å; I502-Y530 HydrophobicContact CD1-CE1 4.01Å; I502-Y530 HydrophobicContact CG1-CD1 4.47Å; I502-Y530 HydrophobicContact CG1-CE1 3.82Å
503S55.8Low72Confident24 Ų2437.4 Ų37.417%0.16820%0.197CC..SBendtrans-70.2-8.3-169.9-174.60000115.4D499 K505D499-S503 PolarHBondContact O-N 3.19Å; S503-K505 PolarHBondContact O-N 2.93Å
504H53.3Low71.6Confident161 Ų16140.9 Ų40.975%0.74522%0.221SC*.  trans46.80.9-175.5-71.7-76.3000117.3I502I502-H504 PolarHBondContact O-CD2 3.38Å; I502-H504 PolarHBondContact O-N 2.81Å
505K58Low71.5Confident144 Ų14442.5 Ų42.563%0.62623%0.229SC*.SBendtrans-96.3131.1175.1-68.1176.8-178.6175.80107.7S503 T507S503-K505 PolarHBondContact O-N 2.93Å; K505-T507 HydrophobicContact CB-CG2 3.97Å; K505-T507 PolarHBondContact O-N 3.16Å; K505-T507 PolarHBondContact O-OG1 3.25Å
506N55.8Low70.8Confident182 Ų18243 Ų4397%0.97323%0.231SC*.  trans-6562173.4-73.5-25.5000111.4
507T66.8Low69.7Low45 Ų4544.2 Ų44.228%0.27624%0.244SC..PPolyproline II helixtrans-101.3147.1178.453.30000109.1K505K505-T507 HydrophobicContact CB-CG2 3.97Å; K505-T507 PolarHBondContact O-N 3.16Å; K505-T507 PolarHBondContact O-OG1 3.25Å
508Q73.3Confident68.4Low80 Ų8045 Ų4537%0.37425%0.25SC..PPolyproline II helixtrans-57.7123.3178.4-170.7176.311.100109.8R63 H66R63-Q508 HydrophobicContact CG-CB 4.37Å; R63-Q508 PolarHBondContact NE-O 3.18Å; R63-Q508 PolarHBondContact NH2-O 3.38Å; H66-Q508 PolarHBondContact CD2-OE1 3.2Å
509P80.8Confident67.4Low49 Ų4946.5 Ų46.532%0.31826%0.258SS..PPolyproline II helixtrans-70.8164175.930.7-34.8000110.6T513P509-T513 HydrophobicContact CB-CG2 4.34Å
510T85.8Confident66.2Low0 Ų051.5 Ų51.50%028%0.279CS..PPolyproline II helixtrans-64155.8171.5580000111.1V56 T59 L493 M498 Y512 T513 S514V56-T510 HydrophobicContact CG2-CG2 4.41Å; T59-T510 HydrophobicContact CG2-CG2 4.17Å; T59-T510 WeakPolarHBondContact OG1-CA 3.5Å; L493-T510 HydrophobicContact CD2-CG2 4.06Å; M498-T510 HydrophobicContact CB-CG2 4.48Å; M498-T510 HydrophobicContact CE-CG2 4.03Å; T510-Y512 PolarHBondContact O-N 3.38Å; T510-T513 PolarHBondContact O-N 3.13Å; T510-T513 PolarHBondContact OG1-N 2.96Å; T510-T513 PolarHBondContact OG1-OG1 3.45Å; T510-T513 VanDerWaalsContact OG1-OG1 3.08Å; T510-S514 PolarHBondContact O-N 3.28Å
511A84.9Confident65.6Low16 Ų1654.6 Ų54.613%0.13230%0.297CS..Hα-helixtrans-60-36.5176.500000110.7D55 M107 P108 S514 I515D55-A511 WeakPolarHBondContact OD1-CB 3.27Å; D55-A511 PolarHBondContact OD1-N 3.27Å; D55-A511 VanDerWaalsContact OD1-N 3.14Å; D55-A511 PolarHBondContact OD2-N 3.4Å; M107-A511 HydrophobicContact CB-CB 4.06Å; M107-A511 HydrophobicContact CG-CB 3.55Å; P108-A511 HydrophobicContact CG-CB 4.14Å; A511-S514 PolarHBondContact O-N 3.36Å; A511-S514 PolarHBondContact O-OG 2.89Å; A511-I515 PolarHBondContact O-N 3.4Å
512Y85.9Confident65.1Low3 Ų356.5 Ų56.51%0.01231%0.306CS..Hα-helixtrans-54.5-56.1172.8-178.7-95.3000112.8L52 D55 W111 P486 C489 L490 L493 T510 S514 I515 M516L52-Y512 HydrophobicContact CD1-CD2 4.48Å; L52-Y512 HydrophobicContact CD1-CG 4.14Å; D55-Y512 WeakPolarHBondContact OD2-CB 3.42Å; D55-Y512 PolarHBondContact OD2-N 3.42Å; W111-Y512 AromaticContact CD2-CD2 3.68Å; W111-Y512 HydrophobicContact CD2-CD2 3.68Å; W111-Y512 HydrophobicContact CD2-CG 4.49Å; W111-Y512 AromaticContact CE2-CD2 3.83Å; W111-Y512 AromaticContact CE3-CD2 3.51Å; W111-Y512 HydrophobicContact CE3-CD2 3.51Å; W111-Y512 HydrophobicContact CE3-CE2 4.01Å; W111-Y512 HydrophobicContact CG-CD2 4.41Å; W111-Y512 AromaticContact CH2-CD2 3.73Å; W111-Y512 HydrophobicContact CH2-CD2 3.73Å; W111-Y512 HydrophobicContact CH2-CE2 4.27Å; W111-Y512 AromaticContact CZ2-CD2 3.89Å; W111-Y512 HydrophobicContact CZ2-CD2 3.89Å; W111-Y512 HydrophobicContact CZ2-CG 4.44Å; W111-Y512 AromaticContact CZ3-CD2 3.51Å; W111-Y512 HydrophobicContact CZ3-CD2 3.51Å; W111-Y512 AromaticContact CZ3-CE2 3.81Å; W111-Y512 HydrophobicContact CZ3-CE2 3.81Å; P486-Y512 VanDerWaalsContact CA-OH 3.26Å; P486-Y512 WeakPolarHBondContact CA-OH 3.26Å; P486-Y512 PolarHBondContact O-OH 2.88Å; C489-Y512 HydrophobicContact CB-CD1 4.22Å; C489-Y512 HydrophobicContact CB-CE1 3.46Å; C489-Y512 VanDerWaalsContact CB-CE1 3.46Å; C489-Y512 HydrophobicContact CB-CE2 3.95Å; C489-Y512 VanDerWaalsContact CB-OH 3.27Å; C489-Y512 WeakPolarHBondContact CB-OH 3.48Å; L490-Y512 HydrophobicContact CD2-CE1 3.91Å; L490-Y512 HydrophobicContact CG-CE1 4.09Å; L493-Y512 HydrophobicContact CD1-CD1 3.52Å; L493-Y512 HydrophobicContact CD1-CE1 4.22Å; L493-Y512 HydrophobicContact CD1-CG 4.33Å; T510-Y512 PolarHBondContact O-N 3.38Å; Y512-S514 PolarHBondContact O-N 3.18Å; Y512-I515 PolarHBondContact O-N 3.28Å; Y512-M516 HydrophobicContact CD1-CB 4.41Å; Y512-M516 HydrophobicContact CD2-SD 4.34Å; Y512-M516 HydrophobicContact CE1-CB 3.99Å; Y512-M516 HydrophobicContact CE1-CG 3.92Å; Y512-M516 HydrophobicContact CE1-SD 4.21Å; Y512-M516 HydrophobicContact CE2-CE 4.11Å; Y512-M516 HydrophobicContact CE2-CG 4.32Å; Y512-M516 HydrophobicContact CE2-SD 3.52Å; Y512-M516 VanDerWaalsContact CE2-SD 3.52Å; Y512-M516 PolarHBondContact O-N 2.7Å; Y512-M516 WeakPolarHBondContact OH-CE 3.4Å; Y512-M516 PolarHBondContact OH-SD 3.19Å; Y512-M516 VanDerWaalsContact OH-SD 3.37Å
513T80.7Confident64.7Low5 Ų559.5 Ų59.53%0.03133%0.328CS..Hα-helixtrans-61.5-30-177.2-620000112L493 P509 T510 I515 G517L493-T513 WeakPolarHBondContact CD1-OG1 3.46Å; P509-T513 HydrophobicContact CB-CG2 4.34Å; T510-T513 PolarHBondContact O-N 3.13Å; T510-T513 PolarHBondContact OG1-N 2.96Å; T510-T513 PolarHBondContact OG1-OG1 3.45Å; T510-T513 VanDerWaalsContact OG1-OG1 3.08Å; T513-I515 VanDerWaalsContact C-N 3.32Å; T513-I515 PolarHBondContact O-N 2.92Å; T513-G517 PolarHBondContact O-N 3.27Å
514S78.7Confident64.6Low73 Ų7367.3 Ų67.351%0.5136%0.359SS..Hα-helixtrans-66.4-30.8176.679.50000113.9T510 A511 Y512T510-S514 PolarHBondContact O-N 3.28Å; A511-S514 PolarHBondContact O-N 3.36Å; A511-S514 PolarHBondContact O-OG 2.89Å; Y512-S514 PolarHBondContact O-N 3.18Å
515I77.4Confident64.7Low39 Ų3962.9 Ų62.920%0.234%0.34CS..Hα-helixtrans-94.1-39.2-178-60.2-58.5000111.5W111 Y115 A511 Y512 T513 G517W111-I515 HydrophobicContact CB-CB 4.41Å; W111-I515 HydrophobicContact CB-CG1 4.19Å; Y115-I515 HydrophobicContact CG-CG2 4.48Å; A511-I515 PolarHBondContact O-N 3.4Å; Y512-I515 PolarHBondContact O-N 3.28Å; T513-I515 VanDerWaalsContact C-N 3.32Å; T513-I515 PolarHBondContact O-N 2.92Å; I515-G517 PolarHBondContact O-N 3.41Å
516M69.6Low64.8Low12 Ų1256.2 Ų56.26%0.05931%0.312CS..Hα-helixtrans-70.8-19.4-178.1-132.975.8-179.600113.6Y115 P486 Y512Y115-M516 HydrophobicContact CD2-CE 3.68Å; Y115-M516 HydrophobicContact CD2-SD 3.64Å; Y115-M516 HydrophobicContact CE2-CE 4.13Å; Y115-M516 HydrophobicContact CE2-SD 4.2Å; P486-M516 VanDerWaalsContact CA-CE 3.5Å; P486-M516 HydrophobicContact CB-CE 3.14Å; P486-M516 HydrophobicContact CG-CE 3.28Å; Y512-M516 HydrophobicContact CD1-CB 4.41Å; Y512-M516 HydrophobicContact CD2-SD 4.34Å; Y512-M516 HydrophobicContact CE1-CB 3.99Å; Y512-M516 HydrophobicContact CE1-CG 3.92Å; Y512-M516 HydrophobicContact CE1-SD 4.21Å; Y512-M516 HydrophobicContact CE2-CE 4.11Å; Y512-M516 HydrophobicContact CE2-CG 4.32Å; Y512-M516 HydrophobicContact CE2-SD 3.52Å; Y512-M516 VanDerWaalsContact CE2-SD 3.52Å; Y512-M516 PolarHBondContact O-N 2.7Å; Y512-M516 WeakPolarHBondContact OH-CE 3.4Å; Y512-M516 PolarHBondContact OH-SD 3.19Å; Y512-M516 VanDerWaalsContact OH-SD 3.37Å
517G59.2Low65.2Low28 Ų2852.1 Ų52.129%0.28929%0.29SS..  trans77.8128.4-166.200000110.7T513 I515T513-G517 PolarHBondContact O-N 3.27Å; I515-G517 PolarHBondContact O-N 3.41Å
518S53.1Low65.1Low25 Ų2551.1 Ų51.118%0.17529%0.289CS..  trans-70.4149.6166.2790000109.2K520 V521S518-K520 PolarHBondContact O-N 3.39Å; S518-K520 VanDerWaalsContact OG-CB 3.25Å; S518-K520 WeakPolarHBondContact OG-CB 3.25Å; S518-K520 VanDerWaalsContact OG-CG 3.25Å; S518-K520 WeakPolarHBondContact OG-CG 3.36Å; S518-K520 PolarHBondContact OG-N 3.05Å; S518-V521 WeakPolarHBondContact O-CG2 3.32Å
519M50.9Low64.9Low36 Ų3649.4 Ų49.418%0.17728%0.28CS..G310 helixtrans-58-4.9174.5-69.7-124.4169.400114.6L195 V521 A526 F529L195-M519 HydrophobicContact CD2-CE 3.17Å; L195-M519 HydrophobicContact CD2-SD 4.26Å; M519-V521 PolarHBondContact O-N 3.38Å; M519-A526 HydrophobicContact CB-CB 4.49Å; M519-F529 HydrophobicContact SD-CD1 4.44Å
520K43.5Very low64.2Low113 Ų11349 Ų4949%0.49127%0.273SS..G310 helixtrans-55.7-20.4179.6-70-177.2178.2176.20114.9S500 S518 L522S500-K520 WeakPolarHBondContact O-CE 3.43Å; S500-K520 PolarHBondContact O-NZ 3.01Å; S518-K520 PolarHBondContact O-N 3.39Å; S518-K520 VanDerWaalsContact OG-CB 3.25Å; S518-K520 WeakPolarHBondContact OG-CB 3.25Å; S518-K520 VanDerWaalsContact OG-CG 3.25Å; S518-K520 WeakPolarHBondContact OG-CG 3.36Å; S518-K520 PolarHBondContact OG-N 3.05Å; K520-L522 PolarHBondContact O-N 3.37Å
521V46.5Very low63.6Low85 Ų8554 Ų5452%0.51530%0.298SS..G310 helixtrans-76.8-7.2-168-139.70000113.8T184 S518 M519T184-V521 HydrophobicContact CG2-CB 3.28Å; T184-V521 HydrophobicContact CG2-CG1 3.11Å; T184-V521 HydrophobicContact CG2-CG2 4.2Å; S518-V521 WeakPolarHBondContact O-CG2 3.32Å; M519-V521 PolarHBondContact O-N 3.38Å
522L48Very low63.3Low53 Ų5360.7 Ų60.728%0.27732%0.321SS..G310 helixtrans-133.785.1161.6-75.2163.5000108.7I185 A188 K520 F524 I525 A526I185-L522 HydrophobicContact CG1-CD1 4.14Å; I185-L522 HydrophobicContact CG1-CD2 4.36Å; A188-L522 HydrophobicContact CB-CD1 3.79Å; K520-L522 PolarHBondContact O-N 3.37Å; L522-F524 PolarHBondContact O-N 3.39Å; L522-I525 HydrophobicContact CB-CB 4.2Å; L522-I525 HydrophobicContact CB-CD1 4.22Å; L522-I525 HydrophobicContact CB-CG1 4.15Å; L522-I525 HydrophobicContact CD1-CD1 3.63Å; L522-I525 HydrophobicContact CD1-CG1 4.42Å; L522-I525 PolarHBondContact O-N 2.88Å; L522-A526 PolarHBondContact O-N 3.18Å; L522-A526 VanDerWaalsContact O-N 3.08Å
523S51.2Low62.8Low77 Ų7761 Ų6154%0.53832%0.322SS..Hα-helixtrans-47.9-36.6179.1-153.20000112.2I525 A526 D527S523-I525 PolarHBondContact O-N 3.48Å; S523-A526 PolarHBondContact O-N 3.2Å; S523-D527 PolarHBondContact O-N 2.94Å
524F53.2Low62.7Low187 Ų18761 Ų6182%0.8232%0.323SS*.Hα-helixtrans-59.8-39.6176.1-177-100.8000114.5L522L522-F524 PolarHBondContact O-N 3.39Å
525I56.2Low62.9Low68 Ų6862 Ų6235%0.34932%0.321SS..Hα-helixtrans-79.5-39.2177.9-62.7-177.3000110.1T192 L522 S523 D527 F529T192-I525 HydrophobicContact CG2-CG2 4.04Å; L522-I525 HydrophobicContact CB-CB 4.2Å; L522-I525 HydrophobicContact CB-CD1 4.22Å; L522-I525 HydrophobicContact CB-CG1 4.15Å; L522-I525 HydrophobicContact CD1-CD1 3.63Å; L522-I525 HydrophobicContact CD1-CG1 4.42Å; L522-I525 PolarHBondContact O-N 2.88Å; S523-I525 PolarHBondContact O-N 3.48Å; I525-D527 PolarHBondContact O-N 2.76Å; I525-F529 WeakPolarHBondContact O-CB 3.4Å; I525-F529 PolarHBondContact O-N 3.4Å
526A59.1Low63.3Low5 Ų563.2 Ų63.24%0.04133%0.327CS..Hα-helixtrans-61.6-43.7-178.800000112.3M519 L522 S523 F529 Y530M519-A526 HydrophobicContact CB-CB 4.49Å; L522-A526 PolarHBondContact O-N 3.18Å; L522-A526 VanDerWaalsContact O-N 3.08Å; S523-A526 PolarHBondContact O-N 3.2Å; A526-F529 WeakPolarHBondContact O-CB 3.41Å; A526-F529 PolarHBondContact O-N 3.38Å; A526-Y530 HydrophobicContact CB-CE2 4.05Å; A526-Y530 WeakPolarHBondContact O-CD2 3.42Å; A526-Y530 WeakPolarHBondContact O-CE2 3.08Å; A526-Y530 PolarHBondContact O-N 2.81Å; A526-Y530 VanDerWaalsContact O-N 3.07Å
527D63.7Low64.1Low96 Ų9662.6 Ų62.651%0.51332%0.324SS..Hα-helixtrans-66.3-43.3-176.7-65-23.3000112.2S523 I525S523-D527 PolarHBondContact O-N 2.94Å; I525-D527 PolarHBondContact O-N 2.76Å
528G66.4Low65.5Low23 Ų2363.2 Ų63.224%0.23732%0.322CS..Hα-helixtrans-67.5-39.3172.800000111.9Y530 I531 Y532G528-Y530 PolarHBondContact O-N 3.22Å; G528-I531 PolarHBondContact O-N 2.88Å; G528-Y532 WeakPolarHBondContact O-CD2 3.41Å; G528-Y532 PolarHBondContact O-N 3.25Å
529F67.6Low67.3Low44 Ų4467.2 Ų67.219%0.19334%0.34CS..Hα-helixtrans-59.8-46.1-178.1-179.6-94.3000112.6L195 M519 I525 A526 I531 Y532 Y533L195-F529 HydrophobicContact CD1-CE2 4.45Å; L195-F529 HydrophobicContact CD1-CZ 3.98Å; L195-F529 HydrophobicContact CD2-CD2 4.09Å; L195-F529 HydrophobicContact CD2-CE1 3.84Å; L195-F529 HydrophobicContact CD2-CE2 3.14Å; L195-F529 HydrophobicContact CD2-CZ 3.02Å; L195-F529 HydrophobicContact CG-CE2 3.53Å; L195-F529 HydrophobicContact CG-CZ 3.51Å; M519-F529 HydrophobicContact SD-CD1 4.44Å; I525-F529 WeakPolarHBondContact O-CB 3.4Å; I525-F529 PolarHBondContact O-N 3.4Å; A526-F529 WeakPolarHBondContact O-CB 3.41Å; A526-F529 PolarHBondContact O-N 3.38Å; F529-I531 PolarHBondContact O-N 2.91Å; F529-Y532 PolarHBondContact O-N 2.98Å; F529-Y533 HydrophobicContact CD2-CD2 4.36Å; F529-Y533 HydrophobicContact CE1-CD1 4.5Å; F529-Y533 HydrophobicContact CE1-CD2 4.06Å; F529-Y533 AromaticContact CE1-CG 3.96Å; F529-Y533 HydrophobicContact CE1-CG 3.96Å; F529-Y533 AromaticContact CE2-CD2 3.24Å; F529-Y533 HydrophobicContact CE2-CD2 3.24Å; F529-Y533 AromaticContact CE2-CE2 3.97Å; F529-Y533 HydrophobicContact CE2-CE2 3.97Å; F529-Y533 AromaticContact CE2-CG 3.78Å; F529-Y533 HydrophobicContact CE2-CG 3.78Å; F529-Y533 HydrophobicContact CZ-CD1 4.13Å; F529-Y533 AromaticContact CZ-CD2 3.01Å; F529-Y533 HydrophobicContact CZ-CD2 3.01Å; F529-Y533 AromaticContact CZ-CE2 3.5Å; F529-Y533 HydrophobicContact CZ-CE2 3.5Å; F529-Y533 AromaticContact CZ-CG 3.34Å; F529-Y533 HydrophobicContact CZ-CG 3.34Å; F529-Y533 WeakPolarHBondContact O-CB 3.43Å; F529-Y533 PolarHBondContact O-N 3.49Å
530Y67.7Low69.1Low42 Ų4267.3 Ų67.317%0.16534%0.341CS..Hα-helixtrans-63.3-25.4179.3-62.3-49000114F407 S501 I502 A526 G528 P534F407-Y530 AromaticContact CE2-CD1 3.55Å; F407-Y530 HydrophobicContact CE2-CD1 3.55Å; F407-Y530 HydrophobicContact CE2-CE1 4.09Å; F407-Y530 HydrophobicContact CE2-CG 4.48Å; F407-Y530 AromaticContact CZ-CD1 3.86Å; F407-Y530 HydrophobicContact CZ-CD1 3.86Å; S501-Y530 WeakPolarHBondContact CB-OH 3.08Å; S501-Y530 PolarHBondContact OG-OH 3.07Å; I502-Y530 HydrophobicContact CD1-CE1 4.01Å; I502-Y530 HydrophobicContact CG1-CD1 4.47Å; I502-Y530 HydrophobicContact CG1-CE1 3.82Å; A526-Y530 HydrophobicContact CB-CE2 4.05Å; A526-Y530 WeakPolarHBondContact O-CD2 3.42Å; A526-Y530 WeakPolarHBondContact O-CE2 3.08Å; A526-Y530 PolarHBondContact O-N 2.81Å; A526-Y530 VanDerWaalsContact O-N 3.07Å; G528-Y530 PolarHBondContact O-N 3.22Å; Y530-P534 VanDerWaalsContact O-CD 3.29Å; Y530-P534 WeakPolarHBondContact O-CD 3.49Å; Y530-P534 WeakPolarHBondContact O-CG 3.44Å
531I72.5Confident71.3Confident105 Ų10562.5 Ų62.554%0.53832%0.322SS..Hα-helixtrans-84.8-52.4177.9-63.6171.5000110.3G528 F529 M535G528-I531 PolarHBondContact O-N 2.88Å; F529-I531 PolarHBondContact O-N 2.91Å; I531-M535 HydrophobicContact CG2-CE 3.67Å; I531-M535 VanDerWaalsContact O-CE 3.28Å; I531-M535 WeakPolarHBondContact O-CE 3.45Å
532Y77.8Confident73.4Confident155 Ų15562.5 Ų62.561%0.60832%0.318SS*.Hα-helixtrans-79.4-31.5-171.4-63.3-64.4000114G528 F529 M535 L536G528-Y532 WeakPolarHBondContact O-CD2 3.41Å; G528-Y532 PolarHBondContact O-N 3.25Å; F529-Y532 PolarHBondContact O-N 2.98Å; Y532-M535 HydrophobicContact CD1-CE 3.53Å; Y532-M535 HydrophobicContact CE1-CE 4.02Å; Y532-M535 HydrophobicContact CG-CE 4.36Å; Y532-M535 PolarHBondContact O-N 2.86Å; Y532-L536 WeakPolarHBondContact O-CB 3.25Å; Y532-L536 PolarHBondContact O-N 3.2Å
533Y76.3Confident75.3Confident9 Ų961.1 Ų61.14%0.03531%0.314CS..Hα-helixtrans-60.4-51.2-176177.1-88.2000113L195 V199 E404 F407 N491 F529 M535 L536 V537L195-Y533 HydrophobicContact CD1-CD2 4.37Å; L195-Y533 HydrophobicContact CD1-CE2 3.47Å; L195-Y533 VanDerWaalsContact CD1-CE2 3.47Å; L195-Y533 HydrophobicContact CG-CD2 4.29Å; L195-Y533 HydrophobicContact CG-CE2 3.81Å; V199-Y533 HydrophobicContact CB-CE2 4.4Å; V199-Y533 HydrophobicContact CG2-CD2 3.26Å; V199-Y533 HydrophobicContact CG2-CE2 2.97Å; V199-Y533 HydrophobicContact CG2-CG 4.33Å; E404-Y533 WeakPolarHBondContact OE2-CE1 3.23Å; F407-Y533 HydrophobicContact CE1-CD1 4.32Å; N491-Y533 PolarHBondContact ND2-OH 3.15Å; F529-Y533 HydrophobicContact CD2-CD2 4.36Å; F529-Y533 HydrophobicContact CE1-CD1 4.5Å; F529-Y533 HydrophobicContact CE1-CD2 4.06Å; F529-Y533 AromaticContact CE1-CG 3.96Å; F529-Y533 HydrophobicContact CE1-CG 3.96Å; F529-Y533 AromaticContact CE2-CD2 3.24Å; F529-Y533 HydrophobicContact CE2-CD2 3.24Å; F529-Y533 AromaticContact CE2-CE2 3.97Å; F529-Y533 HydrophobicContact CE2-CE2 3.97Å; F529-Y533 AromaticContact CE2-CG 3.78Å; F529-Y533 HydrophobicContact CE2-CG 3.78Å; F529-Y533 HydrophobicContact CZ-CD1 4.13Å; F529-Y533 AromaticContact CZ-CD2 3.01Å; F529-Y533 HydrophobicContact CZ-CD2 3.01Å; F529-Y533 AromaticContact CZ-CE2 3.5Å; F529-Y533 HydrophobicContact CZ-CE2 3.5Å; F529-Y533 AromaticContact CZ-CG 3.34Å; F529-Y533 HydrophobicContact CZ-CG 3.34Å; F529-Y533 WeakPolarHBondContact O-CB 3.43Å; F529-Y533 PolarHBondContact O-N 3.49Å; Y533-M535 VanDerWaalsContact C-N 3.33Å; Y533-M535 PolarHBondContact O-N 2.98Å; Y533-L536 PolarHBondContact O-N 3.46Å; Y533-V537 HydrophobicContact CD1-CG2 4.4Å; Y533-V537 HydrophobicContact CE1-CG2 4.1Å; Y533-V537 WeakPolarHBondContact O-CG2 3.25Å; Y533-V537 PolarHBondContact O-N 2.87Å; Y533-V537 VanDerWaalsContact O-N 3.09Å
534P77.8Confident77Confident7 Ų758.7 Ų58.75%0.04530%0.296CS..Hα-helixtrans-60.1-41176-24.234.5000113.6E404 F407 Y530 L536 V537 V538E404-P534 VanDerWaalsContact O-CB 3.28Å; E404-P534 WeakPolarHBondContact O-CB 3.45Å; E404-P534 VanDerWaalsContact O-CG 3.26Å; E404-P534 WeakPolarHBondContact O-CG 3.33Å; F407-P534 HydrophobicContact CD1-CG 4.46Å; F407-P534 HydrophobicContact CE1-CG 3.72Å; F407-P534 HydrophobicContact CZ-CG 4.33Å; Y530-P534 VanDerWaalsContact O-CD 3.29Å; Y530-P534 WeakPolarHBondContact O-CD 3.49Å; Y530-P534 WeakPolarHBondContact O-CG 3.44Å; P534-L536 VanDerWaalsContact C-N 3.3Å; P534-L536 PolarHBondContact O-N 3.17Å; P534-V537 PolarHBondContact O-N 2.76Å; P534-V538 WeakPolarHBondContact O-CG2 3.44Å; P534-V538 PolarHBondContact O-N 2.85Å; P534-V538 VanDerWaalsContact O-N 3.08Å
535M83.6Confident78.7Confident94 Ų9456.7 Ų56.746%0.46328%0.284SS..Hα-helixtrans-61.4-42178.5-68.6-167.9-74.400111.1I531 Y532 Y533 V538 I539I531-M535 HydrophobicContact CG2-CE 3.67Å; I531-M535 VanDerWaalsContact O-CE 3.28Å; I531-M535 WeakPolarHBondContact O-CE 3.45Å; Y532-M535 HydrophobicContact CD1-CE 3.53Å; Y532-M535 HydrophobicContact CE1-CE 4.02Å; Y532-M535 HydrophobicContact CG-CE 4.36Å; Y532-M535 PolarHBondContact O-N 2.86Å; Y533-M535 VanDerWaalsContact C-N 3.33Å; Y533-M535 PolarHBondContact O-N 2.98Å; M535-V538 PolarHBondContact O-N 3.22Å; M535-I539 WeakPolarHBondContact O-CB 3.31Å; M535-I539 WeakPolarHBondContact O-CD1 3.31Å; M535-I539 WeakPolarHBondContact O-CG1 3.22Å; M535-I539 PolarHBondContact O-N 3.23Å
536L85.4Confident80.1Confident63 Ų6358.5 Ų58.533%0.3329%0.29SS..Hα-helixtrans-66-42.7179.6-154.9155.8000111.3V199 Y532 Y533 P534 V538 I539 L540V199-L536 HydrophobicContact CB-CD2 4.2Å; V199-L536 HydrophobicContact CG1-CB 4.22Å; V199-L536 HydrophobicContact CG1-CD2 3.27Å; V199-L536 HydrophobicContact CG1-CG 4.28Å; Y532-L536 WeakPolarHBondContact O-CB 3.25Å; Y532-L536 PolarHBondContact O-N 3.2Å; Y533-L536 PolarHBondContact O-N 3.46Å; P534-L536 VanDerWaalsContact C-N 3.3Å; P534-L536 PolarHBondContact O-N 3.17Å; L536-V538 VanDerWaalsContact C-N 3.35Å; L536-V538 PolarHBondContact O-N 2.83Å; L536-I539 PolarHBondContact O-N 2.6Å; L536-L540 HydrophobicContact CD2-CD1 3.41Å; L536-L540 VanDerWaalsContact CD2-CD1 3.41Å; L536-L540 HydrophobicContact CD2-CG 3.75Å; L536-L540 WeakPolarHBondContact O-CB 3.43Å; L536-L540 VanDerWaalsContact O-CG 3.31Å; L536-L540 WeakPolarHBondContact O-CG 3.38Å; L536-L540 PolarHBondContact O-N 2.96Å
537V86.1Confident81.1Confident0 Ų059.1 Ų59.10%029%0.294CS..Hα-helixtrans-57-48.2174.4175.10000110.8V199 L206 Y533 P534 L540 C541V199-V537 HydrophobicContact CG1-CB 4.5Å; V199-V537 HydrophobicContact CG1-CG2 3.68Å; L206-V537 HydrophobicContact CD1-CG1 4.34Å; Y533-V537 HydrophobicContact CD1-CG2 4.4Å; Y533-V537 HydrophobicContact CE1-CG2 4.1Å; Y533-V537 WeakPolarHBondContact O-CG2 3.25Å; Y533-V537 PolarHBondContact O-N 2.87Å; Y533-V537 VanDerWaalsContact O-N 3.09Å; P534-V537 PolarHBondContact O-N 2.76Å; V537-L540 PolarHBondContact O-N 3.41Å; V537-C541 WeakPolarHBondContact O-CB 3.5Å; V537-C541 PolarHBondContact O-N 3.17Å; V537-C541 PolarHBondContact O-SG 3.39Å
538V88.8Confident81.8Confident41 Ų4158.2 Ų58.225%0.24829%0.289CS..Hα-helixtrans-62.9-47.8179.3173.70000111.4V401 C405 P534 M535 L536 L540 C541 I542V401-V538 HydrophobicContact CG1-CG2 4.04Å; C405-V538 WeakPolarHBondContact SG-CG2 3.25Å; P534-V538 WeakPolarHBondContact O-CG2 3.44Å; P534-V538 PolarHBondContact O-N 2.85Å; P534-V538 VanDerWaalsContact O-N 3.08Å; M535-V538 PolarHBondContact O-N 3.22Å; L536-V538 VanDerWaalsContact C-N 3.35Å; L536-V538 PolarHBondContact O-N 2.83Å; V538-L540 VanDerWaalsContact C-N 3.28Å; V538-L540 PolarHBondContact O-N 2.88Å; V538-C541 PolarHBondContact O-N 3.01Å; V538-C541 VanDerWaalsContact O-N 3.16Å; V538-I542 HydrophobicContact CG1-CD1 3.74Å; V538-I542 HydrophobicContact CG1-CG1 4.36Å; V538-I542 WeakPolarHBondContact O-CG1 3.44Å; V538-I542 PolarHBondContact O-N 3.32Å
539I90.1Very high82.1Confident108 Ų10859.3 Ų59.355%0.55430%0.3SS*.Hα-helixtrans-57.9-44.5178.8-71.7164.9000110.1M535 L536 I542 A543M535-I539 WeakPolarHBondContact O-CB 3.31Å; M535-I539 WeakPolarHBondContact O-CD1 3.31Å; M535-I539 WeakPolarHBondContact O-CG1 3.22Å; M535-I539 PolarHBondContact O-N 3.23Å; L536-I539 PolarHBondContact O-N 2.6Å; I539-I542 PolarHBondContact O-N 2.85Å; I539-A543 VanDerWaalsContact O-CB 3.23Å; I539-A543 WeakPolarHBondContact O-CB 3.5Å; I539-A543 PolarHBondContact O-N 3.28Å
540L88.9Confident82.1Confident38 Ų3859 Ų5920%0.19930%0.302CS..Hα-helixtrans-68.1-37.4177.3-72-179.2000113.1V199 L200 L536 V537 V538 A543 T544V199-L540 HydrophobicContact CG1-CD1 3.86Å; L200-L540 HydrophobicContact CD2-CD1 3.82Å; L200-L540 HydrophobicContact CD2-CD2 4.26Å; L536-L540 HydrophobicContact CD2-CD1 3.41Å; L536-L540 VanDerWaalsContact CD2-CD1 3.41Å; L536-L540 HydrophobicContact CD2-CG 3.75Å; L536-L540 WeakPolarHBondContact O-CB 3.43Å; L536-L540 VanDerWaalsContact O-CG 3.31Å; L536-L540 WeakPolarHBondContact O-CG 3.38Å; L536-L540 PolarHBondContact O-N 2.96Å; V537-L540 PolarHBondContact O-N 3.41Å; V538-L540 VanDerWaalsContact C-N 3.28Å; V538-L540 PolarHBondContact O-N 2.88Å; L540-A543 PolarHBondContact O-N 2.96Å; L540-T544 VanDerWaalsContact O-CB 3.26Å; L540-T544 WeakPolarHBondContact O-CB 3.25Å; L540-T544 PolarHBondContact O-N 3.26Å; L540-T544 PolarHBondContact O-OG1 3.21Å
541C90.1Very high82.2Confident13 Ų1363.2 Ų63.29%0.08832%0.317CS..Hα-helixtrans-61.6-46.7173.9-70.30000110.3V207 V537 V538 T544 Y545V207-C541 HydrophobicContact CG2-CB 3.94Å; V537-C541 WeakPolarHBondContact O-CB 3.5Å; V537-C541 PolarHBondContact O-N 3.17Å; V537-C541 PolarHBondContact O-SG 3.39Å; V538-C541 PolarHBondContact O-N 3.01Å; V538-C541 VanDerWaalsContact O-N 3.16Å; C541-T544 PolarHBondContact O-N 3.45Å; C541-Y545 VanDerWaalsContact O-CB 3.22Å; C541-Y545 WeakPolarHBondContact O-CB 3.28Å; C541-Y545 PolarHBondContact O-N 3.31Å
542I90.2Very high82Confident84 Ų8461.5 Ų61.543%0.43131%0.314SS..Hα-helixtrans-62.5-46.4176.5-68.5172000110.6V538 I539 T544 Y545 F546V538-I542 HydrophobicContact CG1-CD1 3.74Å; V538-I542 HydrophobicContact CG1-CG1 4.36Å; V538-I542 WeakPolarHBondContact O-CG1 3.44Å; V538-I542 PolarHBondContact O-N 3.32Å; I539-I542 PolarHBondContact O-N 2.85Å; I542-T544 VanDerWaalsContact C-N 3.34Å; I542-T544 PolarHBondContact O-N 2.94Å; I542-Y545 WeakPolarHBondContact O-CB 3.33Å; I542-Y545 PolarHBondContact O-N 3.42Å; I542-Y545 VanDerWaalsContact O-N 3.14Å; I542-F546 HydrophobicContact CG2-CD2 3.73Å; I542-F546 HydrophobicContact CG2-CE2 3.85Å; I542-F546 VanDerWaalsContact O-CD2 3.28Å; I542-F546 WeakPolarHBondContact O-CD2 3.41Å; I542-F546 PolarHBondContact O-N 3.32Å
543A88.6Confident81.4Confident25 Ų2557.4 Ų57.421%0.20730%0.302CS..Hα-helixtrans-63-40.4179.900000112.3I539 L540 S547 L548I539-A543 VanDerWaalsContact O-CB 3.23Å; I539-A543 WeakPolarHBondContact O-CB 3.5Å; I539-A543 PolarHBondContact O-N 3.28Å; L540-A543 PolarHBondContact O-N 2.96Å; A543-S547 PolarHBondContact O-N 3.41Å; A543-S547 VanDerWaalsContact O-N 3.1Å; A543-L548 HydrophobicContact CB-CB 4.35Å; A543-L548 HydrophobicContact CB-CD1 4.11Å; A543-L548 PolarHBondContact O-N 2.99Å
544T87Confident80.9Confident25 Ų2560.7 Ų60.715%0.15332%0.321CS..Hα-helixtrans-68.8-38.7173.8-53.70000110.5Y204 V207 R211 L540 C541 I542 F546 S547Y204-T544 HydrophobicContact CD2-CG2 3.76Å; Y204-T544 HydrophobicContact CE2-CG2 4.27Å; Y204-T544 HydrophobicContact CG-CG2 4.48Å; V207-T544 HydrophobicContact CB-CG2 3.99Å; V207-T544 HydrophobicContact CG1-CG2 4.13Å; R211-T544 PolarHBondContact NH1-O 3.32Å; L540-T544 VanDerWaalsContact O-CB 3.26Å; L540-T544 WeakPolarHBondContact O-CB 3.25Å; L540-T544 PolarHBondContact O-N 3.26Å; L540-T544 PolarHBondContact O-OG1 3.21Å; C541-T544 PolarHBondContact O-N 3.45Å; I542-T544 VanDerWaalsContact C-N 3.34Å; I542-T544 PolarHBondContact O-N 2.94Å; T544-F546 PolarHBondContact O-N 2.71Å; T544-S547 PolarHBondContact O-N 2.96Å; T544-S547 VanDerWaalsContact O-N 3.09Å
545Y88Confident80.4Confident145 Ų14567.7 Ų67.757%0.56936%0.357SS*.Hα-helixtrans-62.4-44.4179.4-174.5-94.8000112.1V207 R211 C541 I542 S547V207-Y545 HydrophobicContact CG1-CD2 4.13Å; R211-Y545 VanDerWaalsContact NH2-C 3.35Å; R211-Y545 PolarHBondContact NH2-O 2.98Å; C541-Y545 VanDerWaalsContact O-CB 3.22Å; C541-Y545 WeakPolarHBondContact O-CB 3.28Å; C541-Y545 PolarHBondContact O-N 3.31Å; I542-Y545 WeakPolarHBondContact O-CB 3.33Å; I542-Y545 PolarHBondContact O-N 3.42Å; I542-Y545 VanDerWaalsContact O-N 3.14Å; Y545-S547 PolarHBondContact O-N 3.02Å
546F86.8Confident79.7Confident106 Ų10669.2 Ų69.247%0.46537%0.366SS..THydrogen-bonded Turntrans-85.84.9176-68-68000113.8I542 T544 L548I542-F546 HydrophobicContact CG2-CD2 3.73Å; I542-F546 HydrophobicContact CG2-CE2 3.85Å; I542-F546 VanDerWaalsContact O-CD2 3.28Å; I542-F546 WeakPolarHBondContact O-CD2 3.41Å; I542-F546 PolarHBondContact O-N 3.32Å; T544-F546 PolarHBondContact O-N 2.71Å; F546-L548 HydrophobicContact CB-CD2 3.96Å; F546-L548 HydrophobicContact CB-CG 3.93Å; F546-L548 PolarHBondContact O-N 3.46Å; F546-L548 VanDerWaalsContact O-N 3.16Å
547S80.8Confident78Confident19 Ų1968.9 Ų68.913%0.13338%0.378CS..THydrogen-bonded Turntrans49.539.3-176.4-52.40000112R211 A543 T544 Y545 G549 T550 R551 D565R211-S547 PolarHBondContact NH1-OG 3.22Å; R211-S547 VanDerWaalsContact NH1-OG 3.15Å; A543-S547 PolarHBondContact O-N 3.41Å; A543-S547 VanDerWaalsContact O-N 3.1Å; T544-S547 PolarHBondContact O-N 2.96Å; T544-S547 VanDerWaalsContact O-N 3.09Å; Y545-S547 PolarHBondContact O-N 3.02Å; S547-G549 VanDerWaalsContact C-N 3.25Å; S547-G549 PolarHBondContact O-N 2.71Å; S547-T550 PolarHBondContact O-N 2.91Å; S547-T550 PolarHBondContact O-OG1 2.94Å; S547-R551 WeakPolarHBondContact O-CG 3.4Å; S547-R551 PolarHBondContact O-N 3.46Å; S547-D565 PolarHBondContact OG-OD2 3.5Å
548L77.7Confident76.3Confident76 Ų7674.3 Ų74.340%0.39840%0.402SS..Hα-helixtrans-60.9-35.9-177.2-65-178.5000111.6A543 F546 T550 R551 C552A543-L548 HydrophobicContact CB-CB 4.35Å; A543-L548 HydrophobicContact CB-CD1 4.11Å; A543-L548 PolarHBondContact O-N 2.99Å; F546-L548 HydrophobicContact CB-CD2 3.96Å; F546-L548 HydrophobicContact CB-CG 3.93Å; F546-L548 PolarHBondContact O-N 3.46Å; F546-L548 VanDerWaalsContact O-N 3.16Å; L548-T550 PolarHBondContact O-N 3.43Å; L548-R551 PolarHBondContact O-N 3.28Å; L548-C552 WeakPolarHBondContact O-CB 3.5Å; L548-C552 PolarHBondContact O-N 2.85Å; L548-C552 PolarHBondContact O-SG 3.39Å
549G71.4Confident74.5Confident46 Ų4679.4 Ų79.447%0.47442%0.423SS..Hα-helixtrans-59.7-46.1179.500000112.9S547 L553S547-G549 VanDerWaalsContact C-N 3.25Å; S547-G549 PolarHBondContact O-N 2.71Å; G549-L553 VanDerWaalsContact O-CG 3.32Å; G549-L553 WeakPolarHBondContact O-CG 3.37Å; G549-L553 PolarHBondContact O-N 2.89Å
550T67.8Low72.5Confident39 Ų3981.8 Ų81.824%0.23943%0.432CS..Hα-helixtrans-70-36.3178.151.40000111.5S547 L548 L553 N554S547-T550 PolarHBondContact O-N 2.91Å; S547-T550 PolarHBondContact O-OG1 2.94Å; L548-T550 PolarHBondContact O-N 3.43Å; T550-L553 PolarHBondContact O-N 2.79Å; T550-N554 WeakPolarHBondContact O-CB 3.28Å; T550-N554 PolarHBondContact O-N 3.46Å
551R71.2Confident70.6Confident129 Ų12984.3 Ų84.349%0.48744%0.441SS..Hα-helixtrans-65.7-42.1176.1-68.8176.1177.6-173.90.9112.4S547 L548 N554 L555S547-R551 WeakPolarHBondContact O-CG 3.4Å; S547-R551 PolarHBondContact O-N 3.46Å; L548-R551 PolarHBondContact O-N 3.28Å; R551-N554 PolarHBondContact O-N 3.31Å; R551-L555 WeakPolarHBondContact O-CG 3.27Å; R551-L555 PolarHBondContact O-N 3.44Å
552C67.9Low68.7Low70 Ų7085.9 Ų85.947%0.47345%0.448SS..Hα-helixtrans-65.1-42.3174.5-70.60000112L548 N554 L555 L556L548-C552 WeakPolarHBondContact O-CB 3.5Å; L548-C552 PolarHBondContact O-N 2.85Å; L548-C552 PolarHBondContact O-SG 3.39Å; C552-N554 VanDerWaalsContact C-N 3.29Å; C552-N554 PolarHBondContact O-N 3.35Å; C552-L555 WeakPolarHBondContact O-CB 3.34Å; C552-L555 PolarHBondContact O-N 3.1Å; C552-L556 WeakPolarHBondContact O-CG 3.26Å; C552-L556 PolarHBondContact O-N 3.14Å
553L64.9Low66.8Low69 Ų6982.9 Ų82.936%0.36144%0.437SS..Hα-helixtrans-64.6-34.6176.1-72.5172.1000112.5G549 T550 L556 G557 F558 F561G549-L553 VanDerWaalsContact O-CG 3.32Å; G549-L553 WeakPolarHBondContact O-CG 3.37Å; G549-L553 PolarHBondContact O-N 2.89Å; T550-L553 PolarHBondContact O-N 2.79Å; L553-L556 PolarHBondContact O-N 3.09Å; L553-G557 PolarHBondContact O-N 3.44Å; L553-F558 PolarHBondContact O-N 3.45Å; L553-F561 HydrophobicContact CD1-CB 4.28Å
554N65.2Low65.1Low78 Ų7884.1 Ų84.142%0.41744%0.441SS..Hα-helixtrans-66.3-42.4173.5-167.917.4000111.6T550 R551 C552 L556 G557T550-N554 WeakPolarHBondContact O-CB 3.28Å; T550-N554 PolarHBondContact O-N 3.46Å; R551-N554 PolarHBondContact O-N 3.31Å; C552-N554 VanDerWaalsContact C-N 3.29Å; C552-N554 PolarHBondContact O-N 3.35Å; N554-L556 PolarHBondContact O-N 3.23Å; N554-G557 PolarHBondContact O-N 3.16Å
555L67.1Low63.4Low154 Ų15485.6 Ų85.681%0.80645%0.448SS*.Hα-helixtrans-61.2-30.8173.5-76.7162.5000112.9R551 C552 G557R551-L555 WeakPolarHBondContact O-CG 3.27Å; R551-L555 PolarHBondContact O-N 3.44Å; C552-L555 WeakPolarHBondContact O-CB 3.34Å; C552-L555 PolarHBondContact O-N 3.1Å; L555-G557 VanDerWaalsContact C-N 3.26Å; L555-G557 PolarHBondContact O-N 2.91Å
556L69.9Low62Low125 Ų12581.9 Ų81.965%0.65444%0.438SS*.THydrogen-bonded Turntrans-83.34.2175.5-66.6171000113.6C552 L553 N554 F558C552-L556 WeakPolarHBondContact O-CG 3.26Å; C552-L556 PolarHBondContact O-N 3.14Å; L553-L556 PolarHBondContact O-N 3.09Å; N554-L556 PolarHBondContact O-N 3.23Å; L556-F558 HydrophobicContact CB-CD2 3.98Å; L556-F558 HydrophobicContact CB-CE2 4.24Å
557G49.5Very low61.1Low57 Ų5779.3 Ų79.359%0.58843%0.428SS*.THydrogen-bonded Turntrans84.47.4174.300000115.6L553 N554 L555 Q559L553-G557 PolarHBondContact O-N 3.44Å; N554-G557 PolarHBondContact O-N 3.16Å; L555-G557 VanDerWaalsContact C-N 3.26Å; L555-G557 PolarHBondContact O-N 2.91Å; G557-Q559 PolarHBondContact O-N 3.3Å; G557-Q559 VanDerWaalsContact O-N 3.16Å
558F51.2Low61Low114 Ų11480.7 Ų80.750%0.544%0.436SS..  trans-89.473.8178.8-65-82000112L553 L556 Q560 F561L553-F558 PolarHBondContact O-N 3.45Å; L556-F558 HydrophobicContact CB-CD2 3.98Å; L556-F558 HydrophobicContact CB-CE2 4.24Å; F558-Q560 PolarHBondContact O-N 2.97Å; F558-F561 HydrophobicContact CB-CD2 3.97Å; F558-F561 PolarHBondContact O-N 3.42Å
559Q50.6Low61.2Low148 Ų14880.7 Ų80.769%0.69244%0.442SS*.G310 helixtrans-62.7-22.2177.1-74.3170.6-22.700113.3G557 F561 M562G557-Q559 PolarHBondContact O-N 3.3Å; G557-Q559 VanDerWaalsContact O-N 3.16Å; Q559-F561 PolarHBondContact O-N 3.2Å; Q559-F561 VanDerWaalsContact O-N 3.16Å; Q559-M562 WeakPolarHBondContact O-CB 3.22Å; Q559-M562 PolarHBondContact O-N 2.89Å
560Q48.8Very low61.9Low158 Ų15884 Ų8474%0.73845%0.449SS*.G310 helixtrans-63-20.8178.2-165173.64.100113.5F558F558-Q560 PolarHBondContact O-N 2.97Å
561F48.7Very low62.7Low90 Ų9084.5 Ų84.540%0.39545%0.45SS..G310 helixtrans-10219.4178.6-62.8-70.3000114.2F458 L553 F558 Q559 G563F458-F561 AromaticContact CD1-CZ 3.99Å; F458-F561 HydrophobicContact CD1-CZ 3.99Å; F458-F561 HydrophobicContact CE1-CZ 4.34Å; L553-F561 HydrophobicContact CD1-CB 4.28Å; F558-F561 HydrophobicContact CB-CD2 3.97Å; F558-F561 PolarHBondContact O-N 3.42Å; Q559-F561 PolarHBondContact O-N 3.2Å; Q559-F561 VanDerWaalsContact O-N 3.16Å; F561-G563 PolarHBondContact O-N 3.41Å
562M49.4Very low63.6Low47 Ų4779.1 Ų79.123%0.23243%0.431CS..  trans-53.1112.5175.4-155.7166.8-157.800109.8K232 Q559 D566 T568K232-M562 PolarHBondContact NZ-O 2.94Å; Q559-M562 WeakPolarHBondContact O-CB 3.22Å; Q559-M562 PolarHBondContact O-N 2.89Å; M562-D566 HydrophobicContact CE-CB 4.16Å; M562-D566 WeakPolarHBondContact CE-O 3.41Å; M562-D566 HydrophobicContact CG-CB 4.49Å; M562-T568 HydrophobicContact CE-CG2 3.55Å; M562-T568 HydrophobicContact SD-CG2 4.08Å
563G51.3Low64.8Low20 Ų2080 Ų8021%0.20643%0.431CS..  trans-64.2163.1-17800000111.9F561 D565 D566F561-G563 PolarHBondContact O-N 3.41Å; G563-D565 PolarHBondContact O-N 2.96Å; G563-D566 PolarHBondContact O-N 3.38Å
564D51.9Low66.1Low51 Ų5180.9 Ų80.927%0.27343%0.433SS..THydrogen-bonded Turntrans-60.2-10.4178.4-76.6-16000113.5K225 K229K225-D564 VanDerWaalsContact CE-CG 3.47Å; K225-D564 WeakPolarHBondContact CE-OD2 3.28Å; K225-D564 IonicContact NZ-OD2 3.66Å; K225-D564 PolarHBondContact NZ-OD2 2.99Å; K229-D564 WeakPolarHBondContact CE-OD1 3.49Å; K229-D564 VanDerWaalsContact CE-OD2 3.24Å; K229-D564 WeakPolarHBondContact CE-OD2 3.42Å; K229-D564 IonicContact NZ-OD1 3.95Å; K229-D564 IonicContact NZ-OD2 2.75Å; K229-D564 PolarHBondContact NZ-OD2 3.34Å
565D50.6Low67.5Low56 Ų5677.2 Ų77.230%0.29941%0.413SS..THydrogen-bonded Turntrans-88.1-29.4-175.8-77.3-18.1000114R211 S547 G563R211-D565 IonicContact CZ-OD2 3.8Å; R211-D565 IonicContact NH1-OD2 2.88Å; R211-D565 PolarHBondContact NH1-OD2 3.19Å; S547-D565 PolarHBondContact OG-OD2 3.5Å; G563-D565 PolarHBondContact O-N 2.96Å
566D59.6Low68.8Low67 Ų6773.2 Ų73.236%0.35839%0.39SS..SBendtrans-107.164.1177.4-71.9-29.1000109.6M562 G563 T568M562-D566 HydrophobicContact CE-CB 4.16Å; M562-D566 WeakPolarHBondContact CE-O 3.41Å; M562-D566 HydrophobicContact CG-CB 4.49Å; G563-D566 PolarHBondContact O-N 3.38Å; D566-T568 PolarHBondContact O-N 3.37Å
567M67.7Low70Confident53 Ų5373.2 Ų73.226%0.26139%0.386SS..  trans-71.5107.4179.6178.6174.971.300110.2M224 F228 V572M224-M567 HydrophobicContact CB-CE 3.34Å; M224-M567 HydrophobicContact CB-SD 3.77Å; M224-M567 HydrophobicContact CG-CE 4.21Å; M224-M567 VanDerWaalsContact O-SD 3.34Å; M224-M567 HydrophobicContact SD-CE 3.93Å; F228-M567 HydrophobicContact CB-CG 3.78Å; F228-M567 HydrophobicContact CB-SD 3.82Å; F228-M567 HydrophobicContact CD2-CB 4.37Å; F228-M567 HydrophobicContact CD2-CG 3.74Å; F228-M567 HydrophobicContact CE2-CG 4.4Å; F228-M567 HydrophobicContact CG-CG 3.85Å; F228-M567 HydrophobicContact CG-SD 4.45Å; M567-V572 HydrophobicContact CE-CG2 3.91Å; M567-V572 HydrophobicContact CG-CG2 3.12Å; M567-V572 HydrophobicContact SD-CG2 3.32Å; M567-V572 WeakPolarHBondContact SD-CG2 3.38Å
568T78Confident72.1Confident48 Ų4872.2 Ų72.229%0.29437%0.367SS..  trans-66.7135175.233.20000111.2M562 D566 D570 L571 V572M562-T568 HydrophobicContact CE-CG2 3.55Å; M562-T568 HydrophobicContact SD-CG2 4.08Å; D566-T568 PolarHBondContact O-N 3.37Å; T568-D570 PolarHBondContact O-N 3.34Å; T568-D570 VanDerWaalsContact O-N 3.17Å; T568-L571 PolarHBondContact O-N 2.69Å; T568-L571 WeakPolarHBondContact OG1-CD1 3.38Å; T568-V572 WeakPolarHBondContact O-CG2 3.49Å; T568-V572 PolarHBondContact O-N 3.35Å
569S81.8Confident74.2Confident76 Ų7666.8 Ų66.853%0.53134%0.344SS..Hα-helixtrans-54-35177.247.40000112.4V572 N573S569-V572 PolarHBondContact O-N 2.8Å; S569-N573 WeakPolarHBondContact O-CB 3.46Å; S569-N573 PolarHBondContact O-N 3.48Å; S569-N573 PolarHBondContact O-ND2 2.96Å; S569-N573 VanDerWaalsContact O-ND2 3.16Å
570D85.9Confident76.3Confident116 Ų11665 Ų6562%0.6233%0.33SS*.Hα-helixtrans-69.5-48.6-173.7-54.9-15.3000110.9T568 V572 N573 E574T568-D570 PolarHBondContact O-N 3.34Å; T568-D570 VanDerWaalsContact O-N 3.17Å; D570-V572 VanDerWaalsContact C-N 3.28Å; D570-V572 PolarHBondContact O-N 3.47Å; D570-N573 PolarHBondContact O-N 3.03Å; D570-E574 WeakPolarHBondContact O-CB 3.3Å; D570-E574 PolarHBondContact O-N 2.87Å
571L86.4Confident78.4Confident49 Ų4964 Ų6426%0.25732%0.323SS..Hα-helixtrans-64.1-32.5175-74.3177.2000112.3F228 A231 T568 G575F228-L571 HydrophobicContact CD2-CB 3.7Å; F228-L571 HydrophobicContact CD2-CD1 4.1Å; F228-L571 HydrophobicContact CE2-CB 4.01Å; F228-L571 HydrophobicContact CE2-CD1 3.56Å; F228-L571 HydrophobicContact CE2-CG 4.44Å; F228-L571 HydrophobicContact CZ-CD1 4.39Å; A231-L571 HydrophobicContact CB-CB 4.4Å; A231-L571 HydrophobicContact CB-CD2 4.07Å; A231-L571 WeakPolarHBondContact CB-O 3.28Å; T568-L571 PolarHBondContact O-N 2.69Å; T568-L571 WeakPolarHBondContact OG1-CD1 3.38Å; L571-G575 PolarHBondContact O-N 3.39Å
572V90.3Very high80.5Confident16 Ų1661.7 Ų61.710%0.09731%0.314CS..Hα-helixtrans-68.1-43.1174174.70000111.3M224 Y227 F228 M567 T568 S569 D570 G575 K576M224-V572 HydrophobicContact CB-CG1 4.5Å; Y227-V572 HydrophobicContact CD2-CG1 4.25Å; F228-V572 HydrophobicContact CB-CG2 4.07Å; M567-V572 HydrophobicContact CE-CG2 3.91Å; M567-V572 HydrophobicContact CG-CG2 3.12Å; M567-V572 HydrophobicContact SD-CG2 3.32Å; M567-V572 WeakPolarHBondContact SD-CG2 3.38Å; T568-V572 WeakPolarHBondContact O-CG2 3.49Å; T568-V572 PolarHBondContact O-N 3.35Å; S569-V572 PolarHBondContact O-N 2.8Å; D570-V572 VanDerWaalsContact C-N 3.28Å; D570-V572 PolarHBondContact O-N 3.47Å; V572-G575 PolarHBondContact O-N 3.15Å; V572-K576 WeakPolarHBondContact O-CB 3.23Å; V572-K576 PolarHBondContact O-N 3.16Å
573N92Very high82.6Confident87 Ų8760.6 Ų60.647%0.46531%0.308SS..Hα-helixtrans-66.1-45.6179.4-72.4-27.7000110.9S569 D570 G575 K576 E577S569-N573 WeakPolarHBondContact O-CB 3.46Å; S569-N573 PolarHBondContact O-N 3.48Å; S569-N573 PolarHBondContact O-ND2 2.96Å; S569-N573 VanDerWaalsContact O-ND2 3.16Å; D570-N573 PolarHBondContact O-N 3.03Å; N573-G575 PolarHBondContact O-N 3.29Å; N573-K576 WeakPolarHBondContact O-CB 3.42Å; N573-K576 PolarHBondContact O-N 3.2Å; N573-E577 WeakPolarHBondContact O-CG 3.48Å; N573-E577 PolarHBondContact O-N 2.82Å
574E92.8Very high84.5Confident89 Ų8966.9 Ų66.942%0.41633%0.325SS..Hα-helixtrans-56.4-50.6172.8-173.9-172.1168.100110.8D570 K576 E577 L578D570-E574 WeakPolarHBondContact O-CB 3.3Å; D570-E574 PolarHBondContact O-N 2.87Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.37Å; E574-E577 PolarHBondContact O-N 2.84Å; E574-E577 VanDerWaalsContact O-N 3.13Å; E574-L578 HydrophobicContact CG-CD1 4.1Å; E574-L578 VanDerWaalsContact O-CG 3.31Å; E574-L578 WeakPolarHBondContact O-CG 3.38Å; E574-L578 PolarHBondContact O-N 2.81Å
575G93.6Very high86.4Confident0 Ų068.9 Ų68.90%033%0.332CS..Hα-helixtrans-55.5-4417600000112.8Y227 L571 V572 N573 E577 L578 I579Y227-G575 WeakPolarHBondContact O-CA 3.48Å; L571-G575 PolarHBondContact O-N 3.39Å; V572-G575 PolarHBondContact O-N 3.15Å; N573-G575 PolarHBondContact O-N 3.29Å; G575-E577 PolarHBondContact O-N 3.41Å; G575-L578 WeakPolarHBondContact O-CB 3.48Å; G575-L578 PolarHBondContact O-N 2.88Å; G575-I579 VanDerWaalsContact O-CG1 3.32Å; G575-I579 WeakPolarHBondContact O-CG1 3.48Å; G575-I579 PolarHBondContact O-N 3.28Å
576K94.6Very high88.2Confident71 Ų7170 Ų7031%0.30933%0.332SS..Hα-helixtrans-63-41177.6-171.7-176.1-168.6-1760112.1Y227 V572 N573 E574 R580Y227-K576 HydrophobicContact CD1-CB 4.21Å; Y227-K576 HydrophobicContact CD2-CB 4.17Å; Y227-K576 HydrophobicContact CD2-CG 4.42Å; Y227-K576 HydrophobicContact CE1-CB 4.35Å; Y227-K576 HydrophobicContact CE1-CG 4.28Å; Y227-K576 HydrophobicContact CE2-CB 4.32Å; Y227-K576 HydrophobicContact CE2-CD 4.45Å; Y227-K576 HydrophobicContact CE2-CG 4.07Å; Y227-K576 HydrophobicContact CG-CB 4.14Å; V572-K576 WeakPolarHBondContact O-CB 3.23Å; V572-K576 PolarHBondContact O-N 3.16Å; N573-K576 WeakPolarHBondContact O-CB 3.42Å; N573-K576 PolarHBondContact O-N 3.2Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.37Å; K576-R580 WeakPolarHBondContact O-CB 3.41Å; K576-R580 VanDerWaalsContact O-CG 3.26Å; K576-R580 WeakPolarHBondContact O-CG 3.06Å; K576-R580 PolarHBondContact O-N 3.28Å
577E95.3Very high89.6Confident125 Ų12571 Ų7158%0.58434%0.335SS*.Hα-helixtrans-66.5-40.4176.2-71.1-173174.100112.4N573 E574 G575 R580 K581N573-E577 WeakPolarHBondContact O-CG 3.48Å; N573-E577 PolarHBondContact O-N 2.82Å; E574-E577 PolarHBondContact O-N 2.84Å; E574-E577 VanDerWaalsContact O-N 3.13Å; G575-E577 PolarHBondContact O-N 3.41Å; E577-R580 PolarHBondContact O-N 3.02Å; E577-K581 WeakPolarHBondContact O-CB 3.33Å; E577-K581 PolarHBondContact O-N 3.31Å
578L94.4Very high90.7Very high36 Ų3676.4 Ų76.419%0.18835%0.352CS..Hα-helixtrans-59.4-49.2174.4-70.3164.9000111.5M234 W327 E574 G575 R580 K581 E582M234-L578 HydrophobicContact CB-CD1 4.19Å; M234-L578 HydrophobicContact CE-CD2 4.45Å; M234-L578 HydrophobicContact CG-CD1 3.9Å; W327-L578 HydrophobicContact CH2-CB 4.44Å; E574-L578 HydrophobicContact CG-CD1 4.1Å; E574-L578 VanDerWaalsContact O-CG 3.31Å; E574-L578 WeakPolarHBondContact O-CG 3.38Å; E574-L578 PolarHBondContact O-N 2.81Å; G575-L578 WeakPolarHBondContact O-CB 3.48Å; G575-L578 PolarHBondContact O-N 2.88Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.26Å; L578-K581 WeakPolarHBondContact O-CB 3.46Å; L578-K581 PolarHBondContact O-N 3.05Å; L578-E582 PolarHBondContact O-N 2.97Å
579I94.8Very high91.2Very high0 Ų079.5 Ų79.50%036%0.363CS..Hα-helixtrans-60.1-44.5176.2-62.9-54.1000110.7Y227 A230 W327 L331 A334 F335 G575 K581 E582 K583Y227-I579 HydrophobicContact CD1-CB 4.36Å; Y227-I579 HydrophobicContact CD1-CG1 3.79Å; Y227-I579 HydrophobicContact CE1-CB 4.1Å; Y227-I579 HydrophobicContact CE1-CG1 3.95Å; Y227-I579 HydrophobicContact CE1-CG2 4.25Å; A230-I579 HydrophobicContact CB-CD1 3.97Å; A230-I579 HydrophobicContact CB-CG1 4.3Å; W327-I579 HydrophobicContact CH2-CD1 4.41Å; L331-I579 HydrophobicContact CD2-CD1 3.39Å; A334-I579 HydrophobicContact CB-CD1 3.8Å; A334-I579 HydrophobicContact CB-CG1 4.03Å; A334-I579 HydrophobicContact CB-CG2 4.01Å; F335-I579 HydrophobicContact CD1-CG2 4.01Å; F335-I579 HydrophobicContact CE1-CG2 3.68Å; G575-I579 VanDerWaalsContact O-CG1 3.32Å; G575-I579 WeakPolarHBondContact O-CG1 3.48Å; G575-I579 PolarHBondContact O-N 3.28Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 2.84Å; I579-E582 PolarHBondContact O-N 3.15Å; I579-K583 VanDerWaalsContact O-CB 3.27Å; I579-K583 WeakPolarHBondContact O-CB 3.31Å; I579-K583 PolarHBondContact O-N 3.37Å
580R94Very high91.4Very high110 Ų11079.1 Ų79.142%0.41535%0.353SS..Hα-helixtrans-62.5-36.3176.8-75.4170.7179157.9-16.1113K576 E577 L578 R584K576-R580 WeakPolarHBondContact O-CB 3.41Å; K576-R580 VanDerWaalsContact O-CG 3.26Å; K576-R580 WeakPolarHBondContact O-CG 3.06Å; K576-R580 PolarHBondContact O-N 3.28Å; E577-R580 PolarHBondContact O-N 3.02Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.26Å; R580-R584 WeakPolarHBondContact O-CG 3.43Å; R580-R584 PolarHBondContact O-N 3.27Å; R580-R584 VanDerWaalsContact O-N 3.13Å; R580-R584 PolarHBondContact O-NE 3.35Å; R580-R584 VanDerWaalsContact O-NE 3.17Å
581K94.3Very high91.5Very high136 Ų13677.7 Ų77.759%0.59134%0.343SS*.Hα-helixtrans-66.2-48.4176.8-178.2-179177.2-179.60110.4E577 L578 I579 R584 K585E577-K581 WeakPolarHBondContact O-CB 3.33Å; E577-K581 PolarHBondContact O-N 3.31Å; L578-K581 WeakPolarHBondContact O-CB 3.46Å; L578-K581 PolarHBondContact O-N 3.05Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 2.84Å; K581-R584 PolarHBondContact O-N 3.08Å; K581-K585 PolarHBondContact O-N 3.09Å
582E93.1Very high91.6Very high43 Ų4376.2 Ų76.220%0.20134%0.339CS..Hα-helixtrans-66.3-38.3177.5-75-59.4154.600112.3W327 L331 L578 I579 R584 K585 R586W327-E582 HydrophobicContact CZ2-CG 3.95Å; L331-E582 HydrophobicContact CD1-CB 4.21Å; L331-E582 HydrophobicContact CD1-CG 4.27Å; L331-E582 HydrophobicContact CD2-CB 3.96Å; L331-E582 HydrophobicContact CD2-CG 4.23Å; L578-E582 PolarHBondContact O-N 2.97Å; I579-E582 PolarHBondContact O-N 3.15Å; E582-R584 PolarHBondContact O-N 3.36Å; E582-K585 WeakPolarHBondContact O-CB 3.44Å; E582-K585 PolarHBondContact O-N 3.41Å; E582-K585 VanDerWaalsContact O-N 3.13Å; E582-R586 PolarHBondContact O-N 2.9Å
583K91.8Very high91.4Very high23 Ų2380.3 Ų80.310%0.136%0.357CS..Hα-helixtrans-56.8-50.4173.6-167.5170.9-170.5159.10112F335 E338 F355 I579 K585 R586 Q587F335-K583 HydrophobicContact CD1-CD 4.37Å; F335-K583 HydrophobicContact CD1-CG 4.45Å; F335-K583 HydrophobicContact CE1-CB 3.69Å; F335-K583 HydrophobicContact CE1-CD 4.31Å; F335-K583 HydrophobicContact CE1-CG 4.02Å; F335-K583 HydrophobicContact CZ-CB 4.12Å; E338-K583 IonicContact OE2-NZ 2.79Å; E338-K583 PolarHBondContact OE2-NZ 2.92Å; F355-K583 HydrophobicContact CE2-CG 3.99Å; F355-K583 HydrophobicContact CZ-CG 3.83Å; I579-K583 VanDerWaalsContact O-CB 3.27Å; I579-K583 WeakPolarHBondContact O-CB 3.31Å; I579-K583 PolarHBondContact O-N 3.37Å; K583-K585 VanDerWaalsContact C-N 3.28Å; K583-K585 PolarHBondContact O-N 3.14Å; K583-R586 PolarHBondContact O-N 3.36Å; K583-Q587 WeakPolarHBondContact O-CB 3.03Å; K583-Q587 PolarHBondContact O-N 3.18Å
584R92.3Very high91.2Very high152 Ų15280.2 Ų80.257%0.57436%0.356SS*.Hα-helixtrans-63.1-33.5176-75.8-179.3-75.9161.3-7.9112.5R580 K581 E582 R588R580-R584 WeakPolarHBondContact O-CG 3.43Å; R580-R584 PolarHBondContact O-N 3.27Å; R580-R584 VanDerWaalsContact O-N 3.13Å; R580-R584 PolarHBondContact O-NE 3.35Å; R580-R584 VanDerWaalsContact O-NE 3.17Å; K581-R584 PolarHBondContact O-N 3.08Å; E582-R584 PolarHBondContact O-N 3.36Å; R584-R588 WeakPolarHBondContact O-CB 3.44Å; R584-R588 VanDerWaalsContact O-CG 3.29Å; R584-R588 WeakPolarHBondContact O-CG 3.36Å; R584-R588 PolarHBondContact O-N 3.17Å; R584-R588 VanDerWaalsContact O-N 3.17Å; R584-R588 PolarHBondContact O-NE 3.44Å
585K92Very high90.9Very high93 Ų9384 Ų8440%0.40437%0.367SS..Hα-helixtrans-67.3-47.2175.3-174.8-178.8172.7-172.20111K581 E582 K583 R588 Q589K581-K585 PolarHBondContact O-N 3.09Å; E582-K585 WeakPolarHBondContact O-CB 3.44Å; E582-K585 PolarHBondContact O-N 3.41Å; E582-K585 VanDerWaalsContact O-N 3.13Å; K583-K585 VanDerWaalsContact C-N 3.28Å; K583-K585 PolarHBondContact O-N 3.14Å; K585-R588 PolarHBondContact O-N 2.68Å; K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 2.94Å; K585-Q589 VanDerWaalsContact O-N 3.1Å
586R88.6Confident90.5Very high79 Ų7992.8 Ų92.830%0.29840%0.4SS..Hα-helixtrans-64.4-43.5178.1-170.2170.9-179.81590.1112.2F355 E582 K583 R588 Q589 E590F355-R586 HydrophobicContact CD1-CG 4.46Å; F355-R586 HydrophobicContact CE1-CB 4.23Å; F355-R586 HydrophobicContact CE1-CG 3.92Å; F355-R586 HydrophobicContact CZ-CB 4.16Å; F355-R586 HydrophobicContact CZ-CG 4.21Å; E582-R586 PolarHBondContact O-N 2.9Å; K583-R586 PolarHBondContact O-N 3.36Å; R586-R588 PolarHBondContact O-N 3.3Å; R586-Q589 WeakPolarHBondContact O-CB 3.45Å; R586-Q589 PolarHBondContact O-N 3.03Å; R586-Q589 VanDerWaalsContact O-N 3.09Å; R586-E590 IonicContact NE-OE1 3.64Å; R586-E590 PolarHBondContact NE-OE1 3.08Å; R586-E590 PolarHBondContact O-N 3.17Å
587Q88.5Confident90.1Very high90 Ų9096.2 Ų96.242%0.42141%0.411SS..Hα-helixtrans-58.9-45.7175.8-175.2178-7.100111.9K583 Q589 E590 E591K583-Q587 WeakPolarHBondContact O-CB 3.03Å; K583-Q587 PolarHBondContact O-N 3.18Å; Q587-Q589 VanDerWaalsContact C-N 3.28Å; Q587-Q589 PolarHBondContact O-N 3.27Å; Q587-E590 PolarHBondContact O-N 3.02Å; Q587-E591 HydrophobicContact CG-CG 4.44Å; Q587-E591 WeakPolarHBondContact CG-OE1 3.46Å; Q587-E591 PolarHBondContact NE2-OE1 3.49Å; Q587-E591 WeakPolarHBondContact O-CB 3.06Å; Q587-E591 VanDerWaalsContact O-CG 3.31Å; Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 3.33Å
588R90.2Very high89.7Confident165 Ų16594.4 Ų94.462%0.62340%0.403SS*.Hα-helixtrans-62.1-34175.1-75.5-176.1-66.6163.6-1.2113.1R584 K585 R586 G592R584-R588 WeakPolarHBondContact O-CB 3.44Å; R584-R588 VanDerWaalsContact O-CG 3.29Å; R584-R588 WeakPolarHBondContact O-CG 3.36Å; R584-R588 PolarHBondContact O-N 3.17Å; R584-R588 VanDerWaalsContact O-N 3.17Å; R584-R588 PolarHBondContact O-NE 3.44Å; K585-R588 PolarHBondContact O-N 2.68Å; R586-R588 PolarHBondContact O-N 3.3Å; R588-G592 PolarHBondContact O-N 2.88Å
589Q88.6Confident89.2Confident113 Ų113100.1 Ų100.153%0.52842%0.422SS..Hα-helixtrans-68.2-47.8176-74176.8-23.800111.2K585 R586 Q587 G592 E593K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 2.94Å; K585-Q589 VanDerWaalsContact O-N 3.1Å; R586-Q589 WeakPolarHBondContact O-CB 3.45Å; R586-Q589 PolarHBondContact O-N 3.03Å; R586-Q589 VanDerWaalsContact O-N 3.09Å; Q587-Q589 VanDerWaalsContact C-N 3.28Å; Q587-Q589 PolarHBondContact O-N 3.27Å; Q589-G592 CarbonylContact O-C 3.6Å; Q589-G592 WeakPolarHBondContact O-CA 3.4Å; Q589-G592 PolarHBondContact O-N 3.4Å; Q589-E593 WeakPolarHBondContact O-CG 3.32Å; Q589-E593 PolarHBondContact O-N 3.21Å
590E86.6Confident88.7Confident68 Ų68106.9 Ų106.932%0.31845%0.451SS..Hα-helixtrans-64.1-42177.6-71.3174.9-168.900112F355 R586 Q587 G592 E593 N594F355-E590 WeakPolarHBondContact CD1-OE1 3.28Å; F355-E590 WeakPolarHBondContact CD1-OE2 3.47Å; R586-E590 IonicContact NE-OE1 3.64Å; R586-E590 PolarHBondContact NE-OE1 3.08Å; R586-E590 PolarHBondContact O-N 3.17Å; Q587-E590 PolarHBondContact O-N 3.02Å; E590-G592 VanDerWaalsContact C-N 3.31Å; E590-G592 PolarHBondContact O-N 3.03Å; E590-E593 PolarHBondContact O-N 3.38Å; E590-N594 WeakPolarHBondContact O-CB 3.38Å; E590-N594 PolarHBondContact O-N 2.78Å
591E87.1Confident88.2Confident87 Ų87109 Ų10941%0.40747%0.466SS..Hα-helixtrans-63.7-36.7172.8-72.6171.5-173.600112Q587 R595Q587-E591 HydrophobicContact CG-CG 4.44Å; Q587-E591 WeakPolarHBondContact CG-OE1 3.46Å; Q587-E591 PolarHBondContact NE2-OE1 3.49Å; Q587-E591 WeakPolarHBondContact O-CB 3.06Å; Q587-E591 VanDerWaalsContact O-CG 3.31Å; Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 3.33Å; E591-R595 WeakPolarHBondContact O-CB 3.19Å; E591-R595 VanDerWaalsContact O-CG 3.23Å; E591-R595 WeakPolarHBondContact O-CG 3.4Å; E591-R595 PolarHBondContact O-N 3.32Å; E591-R595 PolarHBondContact O-NE 3.22Å
592G88.8Confident87.6Confident17 Ų17110.5 Ų110.518%0.17547%0.468CS..Hα-helixtrans-64.2-43.1172.300000112.5R588 Q589 E590 R596R588-G592 PolarHBondContact O-N 2.88Å; Q589-G592 CarbonylContact O-C 3.6Å; Q589-G592 WeakPolarHBondContact O-CA 3.4Å; Q589-G592 PolarHBondContact O-N 3.4Å; E590-G592 VanDerWaalsContact C-N 3.31Å; E590-G592 PolarHBondContact O-N 3.03Å; G592-R596 VanDerWaalsContact O-CG 3.3Å; G592-R596 WeakPolarHBondContact O-CG 3.26Å; G592-R596 PolarHBondContact O-N 3.45Å
593E86.3Confident86.7Confident102 Ų102115 Ų11548%0.47748%0.484SS..Hα-helixtrans-68.9-43.5176.8-75-170.5-170.600112.7Q589 E590 R595 R596 R597Q589-E593 WeakPolarHBondContact O-CG 3.32Å; Q589-E593 PolarHBondContact O-N 3.21Å; E590-E593 PolarHBondContact O-N 3.38Å; E593-R595 VanDerWaalsContact C-N 3.35Å; E593-R595 PolarHBondContact O-N 3.37Å; E593-R596 CarbonylContact O-C 3.53Å; E593-R596 WeakPolarHBondContact O-CA 3.35Å; E593-R596 WeakPolarHBondContact O-CB 3.42Å; E593-R596 PolarHBondContact O-N 3.21Å; E593-R596 VanDerWaalsContact O-N 3.1Å; E593-R597 WeakPolarHBondContact O-CG 3.43Å; E593-R597 PolarHBondContact O-N 3.48Å; E593-R597 IonicContact OE2-NH2 3.99Å
594N86.7Confident85.2Confident85 Ų85115.5 Ų115.546%0.45550%0.495SS..Hα-helixtrans-61.4-44.8176.3-78.6-8.2000110.7E590 R596 R597 E598E590-N594 WeakPolarHBondContact O-CB 3.38Å; E590-N594 PolarHBondContact O-N 2.78Å; N594-R596 VanDerWaalsContact C-N 3.29Å; N594-R596 PolarHBondContact O-N 3.41Å; N594-R597 PolarHBondContact O-N 3.09Å; N594-R597 VanDerWaalsContact O-N 3.11Å; N594-E598 WeakPolarHBondContact O-CB 2.95Å; N594-E598 WeakPolarHBondContact O-CG 3.46Å; N594-E598 PolarHBondContact O-N 3.09Å
595R87.2Confident83.5Confident168 Ų168114.7 Ų114.763%0.63450%0.498SS*.Hα-helixtrans-59-39.7172.2-74.5-176.6-64.51791.9112.4E591 E593 W599E591-R595 WeakPolarHBondContact O-CB 3.19Å; E591-R595 VanDerWaalsContact O-CG 3.23Å; E591-R595 WeakPolarHBondContact O-CG 3.4Å; E591-R595 PolarHBondContact O-N 3.32Å; E591-R595 PolarHBondContact O-NE 3.22Å; E593-R595 VanDerWaalsContact C-N 3.35Å; E593-R595 PolarHBondContact O-N 3.37Å; R595-W599 VanDerWaalsContact O-CB 3.22Å; R595-W599 WeakPolarHBondContact O-CB 3.43Å; R595-W599 PolarHBondContact O-N 3.23Å
596R86.3Confident81.7Confident185 Ų185116 Ų11670%0.69851%0.509SS*.Hα-helixtrans-66.1-38.6174.7-75.6174.6-178.6-140.8-2112.4G592 E593 N594 K600G592-R596 VanDerWaalsContact O-CG 3.3Å; G592-R596 WeakPolarHBondContact O-CG 3.26Å; G592-R596 PolarHBondContact O-N 3.45Å; E593-R596 CarbonylContact O-C 3.53Å; E593-R596 WeakPolarHBondContact O-CA 3.35Å; E593-R596 WeakPolarHBondContact O-CB 3.42Å; E593-R596 PolarHBondContact O-N 3.21Å; E593-R596 VanDerWaalsContact O-N 3.1Å; N594-R596 VanDerWaalsContact C-N 3.29Å; N594-R596 PolarHBondContact O-N 3.41Å; R596-K600 WeakPolarHBondContact O-CB 3.41Å; R596-K600 VanDerWaalsContact O-CG 3.31Å; R596-K600 WeakPolarHBondContact O-CG 3.07Å; R596-K600 PolarHBondContact O-N 3.37Å
597R84.9Confident79.9Confident144 Ų144120.7 Ų120.754%0.54353%0.527SS..Hα-helixtrans-67.1-50.8176.2-71.1178.5-163.5-160.57.7110.6E593 N594 W599 K600 E601E593-R597 WeakPolarHBondContact O-CG 3.43Å; E593-R597 PolarHBondContact O-N 3.48Å; E593-R597 IonicContact OE2-NH2 3.99Å; N594-R597 PolarHBondContact O-N 3.09Å; N594-R597 VanDerWaalsContact O-N 3.11Å; R597-W599 VanDerWaalsContact C-N 3.27Å; R597-W599 PolarHBondContact O-N 2.67Å; R597-K600 CarbonylContact O-C 3.55Å; R597-K600 WeakPolarHBondContact O-CA 3.48Å; R597-K600 WeakPolarHBondContact O-CB 3.28Å; R597-K600 PolarHBondContact O-N 3.11Å; R597-E601 WeakPolarHBondContact O-CG 3.29Å; R597-E601 PolarHBondContact O-N 2.82Å
598E87Confident78.1Confident87 Ų87123 Ų12341%0.40754%0.537SS..Hα-helixtrans-58.8-38175.6-71.8177.3-164.600112.4N594 E601 R602N594-E598 WeakPolarHBondContact O-CB 2.95Å; N594-E598 WeakPolarHBondContact O-CG 3.46Å; N594-E598 PolarHBondContact O-N 3.09Å; E598-E601 PolarHBondContact O-N 2.98Å; E598-R602 VanDerWaalsContact O-CB 3.28Å; E598-R602 WeakPolarHBondContact O-CB 3.28Å; E598-R602 VanDerWaalsContact O-CG 3.3Å; E598-R602 WeakPolarHBondContact O-CG 2.99Å; E598-R602 PolarHBondContact O-N 3.38Å; E598-R602 PolarHBondContact O-NE 3.26Å; E598-R602 IonicContact OE2-CZ 3.91Å; E598-R602 IonicContact OE2-NH2 2.74Å; E598-R602 PolarHBondContact OE2-NH2 3.32Å
599W84Confident76Confident156 Ų156120.4 Ų120.459%0.59154%0.536SS*.Hα-helixtrans-67.3-41.4174.6-17685.3000111.6R595 R597 R602 Y603R595-W599 VanDerWaalsContact O-CB 3.22Å; R595-W599 WeakPolarHBondContact O-CB 3.43Å; R595-W599 PolarHBondContact O-N 3.23Å; R597-W599 VanDerWaalsContact C-N 3.27Å; R597-W599 PolarHBondContact O-N 2.67Å; W599-R602 PolarHBondContact O-N 3.14Å; W599-Y603 AromaticContact CD1-CD2 3.45Å; W599-Y603 VanDerWaalsContact CD1-CD2 3.45Å; W599-Y603 AromaticContact CD1-CE2 3.82Å; W599-Y603 HydrophobicContact CD2-CD2 4.48Å; W599-Y603 HydrophobicContact CG-CD2 4.05Å; W599-Y603 AromaticContact NE1-CD2 3.54Å; W599-Y603 WeakPolarHBondContact O-CB 3.19Å; W599-Y603 PolarHBondContact O-N 3.39Å
600K85.4Confident74.2Confident142 Ų142119.7 Ų119.762%0.61754%0.544SS*.Hα-helixtrans-63.9-38.1173.6-77.8177.5179.3-176.40112.3R596 R597 G604R596-K600 WeakPolarHBondContact O-CB 3.41Å; R596-K600 VanDerWaalsContact O-CG 3.31Å; R596-K600 WeakPolarHBondContact O-CG 3.07Å; R596-K600 PolarHBondContact O-N 3.37Å; R597-K600 CarbonylContact O-C 3.55Å; R597-K600 WeakPolarHBondContact O-CA 3.48Å; R597-K600 WeakPolarHBondContact O-CB 3.28Å; R597-K600 PolarHBondContact O-N 3.11Å; K600-G604 WeakPolarHBondContact O-CA 2.99Å; K600-G604 PolarHBondContact O-N 3.42Å
601E82.7Confident72.4Confident154 Ų154121.8 Ų121.872%0.7256%0.561SS**Hα-helixtrans-70.6-41.2177-72.9173.2-172.200111.4R597 E598R597-E601 WeakPolarHBondContact O-CG 3.29Å; R597-E601 PolarHBondContact O-N 2.82Å; E598-E601 PolarHBondContact O-N 2.98Å
602R80.8Confident70.3Confident167 Ų167128.3 Ų128.363%0.6358%0.582SS**Hα-helixtrans-72.6-35.7179.3-75-172.9-94.4-161-5.1114E598 W599E598-R602 VanDerWaalsContact O-CB 3.28Å; E598-R602 WeakPolarHBondContact O-CB 3.28Å; E598-R602 VanDerWaalsContact O-CG 3.3Å; E598-R602 WeakPolarHBondContact O-CG 2.99Å; E598-R602 PolarHBondContact O-N 3.38Å; E598-R602 PolarHBondContact O-NE 3.26Å; E598-R602 IonicContact OE2-CZ 3.91Å; E598-R602 IonicContact OE2-NH2 2.74Å; E598-R602 PolarHBondContact OE2-NH2 3.32Å; W599-R602 PolarHBondContact O-N 3.14Å
603Y74.6Confident68Low139 Ų139134.8 Ų134.855%0.54561%0.613SS.*Hα-helixtrans-123.1-12.2-171-62.3-78.5000114.9W599 H605W599-Y603 AromaticContact CD1-CD2 3.45Å; W599-Y603 VanDerWaalsContact CD1-CD2 3.45Å; W599-Y603 AromaticContact CD1-CE2 3.82Å; W599-Y603 HydrophobicContact CD2-CD2 4.48Å; W599-Y603 HydrophobicContact CG-CD2 4.05Å; W599-Y603 AromaticContact NE1-CD2 3.54Å; W599-Y603 WeakPolarHBondContact O-CB 3.19Å; W599-Y603 PolarHBondContact O-N 3.39Å; Y603-H605 VanDerWaalsContact C-N 3.33Å; Y603-H605 PolarHBondContact O-N 2.91Å
604G60.7Low65.9Low33 Ų33141.1 Ų141.134%0.3463%0.633SS.*SBendtrans-69.5-29.3179.700000113.3K600 N606 R607K600-G604 WeakPolarHBondContact O-CA 2.99Å; K600-G604 PolarHBondContact O-N 3.42Å; G604-N606 VanDerWaalsContact C-N 3.33Å; G604-N606 PolarHBondContact O-N 3.23Å; G604-R607 PolarHBondContact O-N 2.68Å
605H56.4Low63.7Low134 Ų134144.6 Ų144.662%0.6265%0.651SS**Hα-helixtrans-68.7-30.8-178.4-142-6.6000113Y603 R607Y603-H605 VanDerWaalsContact C-N 3.33Å; Y603-H605 PolarHBondContact O-N 2.91Å; H605-R607 PolarHBondContact O-N 2.95Å
606N53.8Low61.4Low120 Ų120143.6 Ų143.664%0.64266%0.657SS**Hα-helixtrans-69.7-16.3179.6-92.1-18000114.3G604G604-N606 VanDerWaalsContact C-N 3.33Å; G604-N606 PolarHBondContact O-N 3.23Å
607R52.5Low58.9Low178 Ų178142.9 Ų142.967%0.67266%0.661SS**Hα-helixtrans-90.1-21.7-174.8-153.1176.1177.51752.9113.3G604 H605 T611G604-R607 PolarHBondContact O-N 2.68Å; H605-R607 PolarHBondContact O-N 2.95Å; R607-T611 PolarHBondContact O-OG1 3.06Å
608E49Very low56.6Low138 Ų138141.6 Ų141.665%0.64567%0.669SS**Hα-helixtrans-82.5-28177.2-70.2-173.8161.700112.7T611E608-T611 PolarHBondContact O-OG1 3.33Å
609D47.6Very low54Low111 Ų111144 Ų14459%0.59469%0.685SS**Hα-helixtrans-78.4-26.9176.4-75.8-25.9000113.2
610S49.2Very low51.8Low98 Ų98142.3 Ų142.369%0.68569%0.694SS**THydrogen-bonded Turntrans-77.3-18.7178.1-82.60000114.6
611T48.8Very low49.4Very low113 Ų113144.7 Ų144.769%0.69370%0.704SS**THydrogen-bonded Turntrans-89.5-8.3178.343.50000113.5R607 E608R607-T611 PolarHBondContact O-OG1 3.06Å; E608-T611 PolarHBondContact O-OG1 3.33Å
612R44.3Very low47.1Very low223 Ų223146 Ų14684%0.84271%0.711SS**SBendtrans-91.2-11.3-177.2-137.6172.3172.5170.5-3.4114.5
613N40.7Very low44.6Very low154 Ų154143.8 Ų143.882%0.82472%0.72SS**SBendtrans-113.825.7-171.4-141.319.6000115.3
614R41.9Very low42.5Very low235 Ų235144.7 Ų144.789%0.88773%0.734SS**  trans-124.679.4173.3-130.9179.9-175.7177.61.1110.4
615N40.3Very low40.9Very low157 Ų157152.4 Ų152.484%0.8476%0.759SS**  trans-131.4148.8161.5-102.1-12.7000109.6
616I38.4Very low39.6Very low147 Ų147149.5 Ų149.575%0.75475%0.754SS**  trans90.683.1164.3-40.1-178.7000116
617H33.3Very low38.4Very low171 Ų171151.2 Ų151.279%0.79276%0.763SS**  -126.5113.6127.2-155.463.2000108.3
618T37.8Very low37.4Very low116 Ų116149.1 Ų149.171%0.71277%0.77SS**  trans-85.5119.6173.4340000108.9
619D32.1Very low36.5Very low138 Ų138149.6 Ų149.674%0.73878%0.777SS**  trans-106.7139.3161.1-84.5-38.5000110.1
620P38.2Very low35.8Very low120 Ų120151.2 Ų151.278%0.77979%0.791SS**  trans-84.3160.9-178.634.4-33.1000112.9
621K33.8Very low35Very low192 Ų192154.3 Ų154.384%0.83580%0.8SS**  trans-67.7138.8179.2-82.8179.1168.8-177.10114.2
622E34.3Very low34Very low183 Ų183160.6 Ų160.686%0.85581%0.811SS**  trans37.6123.6140-70.1178.2152.700121.7
623S29.4Very low33.4Very low119 Ų119155.4 Ų155.483%0.83281%0.809SS**  trans-152.7129141.962.30000112.4
624N29.7Very low32.8Very low158 Ų158152.8 Ų152.885%0.84581%0.809SS**  trans-14.8142.3165.5-56.7-32.4000119.6
625F27.9Very low32.2Very low196 Ų196150.3 Ų150.386%0.8681%0.805SS**  165.9135.6108.8-155-113.8000113.9
626S28.9Very low31.6Very low73 Ų73152.6 Ų152.651%0.5181%0.807SS.*  trans42.5129.1151.774.10000125.8
627D28.8Very low31.1Very low155 Ų155155.2 Ų155.283%0.82981%0.809SS**  75.2139.2126.1-70.3-29.4000125
628V31Very low30.9Very low135 Ų135153.3 Ų153.382%0.81881%0.809SS**  trans96.6117153.1-160.80000119.6
629N31.1Very low30.5Very low148 Ų148158.8 Ų158.879%0.79182%0.817SS**  trans-29140.1160.6-86-26000116.9
630T31.7Very low30.4Very low145 Ų145155.8 Ų155.889%0.8981%0.811SS**  -167.2138.4123.912.10000112.8
631N31.9Very low30.4Very low163 Ų163156.8 Ų156.887%0.87281%0.81SS**  trans-53.7132172.2-78.7-31.4000113.3
632R28.9Very low30.3Very low244 Ų244152.9 Ų152.992%0.92180%0.798SS**  trans-170133.6130.7-114.1171.3171.6174.1-2.9113.7
633S31Very low30.4Very low115 Ų115152.5 Ų152.580%0.80479%0.789SS**  trans-48.8132.5168.749.10000115.2
634A28.8Very low31.1Very low99 Ų99152.2 Ų152.282%0.81878%0.782SS**  trans-156.3127.6151.800000111.3
635F28.3Very low31.5Very low183 Ų183150.1 Ų150.180%0.80377%0.767SS**  trans-48.1129.1176.9-91.9-111.8000113.8Y637F635-Y637 HydrophobicContact CB-CD2 4.34Å; F635-Y637 HydrophobicContact CB-CE2 4.49Å; F635-Y637 HydrophobicContact CD1-CD2 4.4Å; F635-Y637 AromaticContact CD1-CE2 3.9Å; F635-Y637 HydrophobicContact CD1-CE2 3.9Å; F635-Y637 PolarHBondContact O-N 3.33Å
636K28.2Very low32.1Very low204 Ų204149.4 Ų149.489%0.88776%0.759SS**  trans-83.6100.1159.4-98.9179.7175.5175.10108.8
637Y28.2Very low32.8Very low202 Ų202151.1 Ų151.179%0.79276%0.762SS**  trans-85105.1155.8-86.2-82000108.7F635 R639F635-Y637 HydrophobicContact CB-CD2 4.34Å; F635-Y637 HydrophobicContact CB-CE2 4.49Å; F635-Y637 HydrophobicContact CD1-CD2 4.4Å; F635-Y637 AromaticContact CD1-CE2 3.9Å; F635-Y637 HydrophobicContact CD1-CE2 3.9Å; F635-Y637 PolarHBondContact O-N 3.33Å; Y637-R639 PolarHBondContact O-N 3.21Å
638T29.4Very low33.4Very low131 Ų131153.2 Ų153.280%0.80476%0.759SS**  trans-71105.3163-23.90000107A640T638-A640 VanDerWaalsContact C-N 3.33Å; T638-A640 PolarHBondContact O-N 3.19Å
639R28.6Very low33.9Very low232 Ų232152 Ų15288%0.87575%0.746SS**  trans-71.489.8174.8-170.9176.1-176.3171.21.2109Y637Y637-R639 PolarHBondContact O-N 3.21Å
640A30Very low34.3Very low74 Ų74152.1 Ų152.161%0.61274%0.742SS**  trans-66.2152.4164.400000110.3T638 N642T638-A640 VanDerWaalsContact C-N 3.33Å; T638-A640 PolarHBondContact O-N 3.19Å; A640-N642 PolarHBondContact O-N 2.92Å
641N37.4Very low34.7Very low142 Ų142152.4 Ų152.476%0.75974%0.738SS**  trans-75.277.3-164.9-162.920.6000112.6R643N641-R643 VanDerWaalsContact C-N 3.34Å; N641-R643 PolarHBondContact O-N 2.92Å
642N32.3Very low35Very low109 Ų109151.7 Ų151.758%0.58373%0.733SS**  trans-82.369.2176.3-8112.1000112.8A640 E645A640-N642 PolarHBondContact O-N 2.92Å; N642-E645 PolarHBondContact ND2-OE2 3.45Å
643R37.3Very low35.4Very low176 Ų176147.5 Ų147.566%0.66472%0.724SS**  trans-90.4-24.6172.6-120.3179.4-174.7166.35.9113.6N641N641-R643 VanDerWaalsContact C-N 3.34Å; N641-R643 PolarHBondContact O-N 2.92Å
644T43.8Very low35.7Very low112 Ų112149.7 Ų149.769%0.68773%0.726SS**THydrogen-bonded Turntrans-83.1-17.2-175.838.30000114.4
645E38.4Very low36.2Very low114 Ų114149.2 Ų149.253%0.53372%0.723SS.*THydrogen-bonded Turntrans-86.4-27.5-175.3-147.9136.5-145.400112.7N642 R648 I649N642-E645 PolarHBondContact ND2-OE2 3.45Å; E645-R648 PolarHBondContact O-N 3.07Å; E645-I649 WeakPolarHBondContact O-CG1 3.22Å; E645-I649 PolarHBondContact O-N 3.23Å
646R40.1Very low36.4Very low182 Ų182149.3 Ų149.369%0.68773%0.725SS**Hα-helixtrans-68.7-36.1172.8-82.3-175.9-171.8172.6-1.1112.9R648 I649 E650R646-R648 PolarHBondContact O-N 3.44Å; R646-I649 PolarHBondContact O-N 2.91Å; R646-I649 VanDerWaalsContact O-N 3.12Å; R646-E650 PolarHBondContact O-N 3.02Å
647D44.1Very low36.7Very low109 Ų109145 Ų14558%0.58372%0.719SS**Hα-helixtrans-64.9-21.1177.9-69.4-5.6000112.6
648R40.6Very low37Very low199 Ų199143.5 Ų143.575%0.75172%0.723SS**Hα-helixtrans-85.8-28.3174.1-83.1-174.5171.1-174.8-3.7113.7E645 R646E645-R648 PolarHBondContact O-N 3.07Å; R646-R648 PolarHBondContact O-N 3.44Å
649I40.7Very low37Very low108 Ų108144.8 Ų144.855%0.55473%0.725SS**Hα-helixtrans-82.6-33.6-176-63.7167.6000110.8E645 R646 L651 L652E645-I649 WeakPolarHBondContact O-CG1 3.22Å; E645-I649 PolarHBondContact O-N 3.23Å; R646-I649 PolarHBondContact O-N 2.91Å; R646-I649 VanDerWaalsContact O-N 3.12Å; I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.08Å; I649-L652 PolarHBondContact O-N 2.96Å
650E39.6Very low37.1Very low152 Ų152142.8 Ų142.871%0.7172%0.723SS**G310 helixtrans-69.7-25.7174.5-93.2179171.200113.5R646 L652R646-E650 PolarHBondContact O-N 3.02Å; E650-L652 VanDerWaalsContact C-N 3.28Å; E650-L652 PolarHBondContact O-N 3.46Å
651L41.3Very low37.2Very low151 Ų151146.9 Ų146.979%0.79174%0.735SS**G310 helixtrans-77.9-7.9177.8-94.3162.8000114.3I649I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.08Å
652L38.4Very low36.9Very low147 Ų147145 Ų14577%0.7774%0.739SS**G310 helixtrans-104.3-2-177.9-74.2168.5000113.7I649 E650I649-L652 PolarHBondContact O-N 2.96Å; E650-L652 VanDerWaalsContact C-N 3.28Å; E650-L652 PolarHBondContact O-N 3.46Å
653Q36.1Very low36.8Very low156 Ų156148.1 Ų148.173%0.72975%0.75SS**SBendtrans-94.1-9-177.3-100.6177.7-16.100115.8
654D37.8Very low36.4Very low161 Ų161146.1 Ų146.186%0.86176%0.758SS**SBendtrans-107.750.4-179.6-75.3-11.7000113.3
655A39Very low35.6Very low90 Ų90149.3 Ų149.374%0.74476%0.762SS**  trans-135.973.316600000109.8
656E34Very low35.2Very low184 Ų184149.8 Ų149.886%0.8677%0.773SS**  trans-69.5138.9159.1-79.7-173.516200109.6
657P34.3Very low34.7Very low115 Ų115148.6 Ų148.675%0.74778%0.78SS**  trans-77.5125.6-179.921.3-12.4000110.1D659P657-D659 PolarHBondContact O-N 2.9Å
658L33.9Very low33.9Very low170 Ų170150.4 Ų150.489%0.8979%0.79SS**  trans-71.294.5166.8-87.2159.2000109F660L658-F660 PolarHBondContact O-N 3.3Å
659D28.6Very low33.9Very low158 Ų158146.1 Ų146.185%0.84579%0.788SS**  trans-68.3116.2165.2-101.3-25.3000109.6P657P657-D659 PolarHBondContact O-N 2.9Å
660F31.6Very low33.3Very low190 Ų190147.7 Ų147.783%0.83380%0.797SS**  trans-92.299.4167.9-118.8-90.4000107.6L658L658-F660 PolarHBondContact O-N 3.3Å
661N32.7Very low32.8Very low160 Ų160149 Ų14986%0.85680%0.803SS**  trans170112149.9-87.2-34.3000110.7
662A30.1Very low32.1Very low103 Ų103146.7 Ų146.785%0.85180%0.799SS**  trans168.8117136.600000111
663E29.5Very low31.6Very low173 Ų173148.5 Ų148.581%0.80880%0.804SS**  trans-78.5146.7165.3-63.3173.9146.300111.2
664T29.4Very low31.2Very low134 Ų134146.2 Ų146.282%0.82281%0.805SS**  trans-177.5103.5143.990000108.8
665F27.6Very low30.9Very low179 Ų179142.1 Ų142.179%0.78580%0.801SS**  66.7113.785-91.5-77.6000117.1
666T29Very low30.4Very low124 Ų124149 Ų14976%0.76181%0.807SS**  167.3128.8122.748.80000107.1
667D29.8Very low30.1Very low157 Ų157149.9 Ų149.984%0.8480%0.804SS**  cis-151.9146.845.8-78.3-47.4000112.6
668D28.6Very low30Very low147 Ų147152.8 Ų152.879%0.78681%0.808SS**  trans-91.3170.3167.3-114.7-22000110
669P39.7Very low30.3Very low110 Ų110150.5 Ų150.571%0.71480%0.804SS**  cis-146.6163.538.638.5-17.1000118.2
670L29.2Very low30.3Very low140 Ų140146.8 Ų146.873%0.73380%0.802SS**  175.5117.6118.7-90.4165000111.6
671E27.5Very low30.2Very low181 Ų181141.4 Ų141.485%0.84680%0.8SS**  trans46.3137.5145.3-65.3-179.216600119.8
672S27Very low30Very low101 Ų101145.7 Ų145.771%0.70680%0.804SS**  cis-173.4157.219.746.90000110
673E28.1Very low30Very low185 Ų185151.6 Ų151.686%0.86481%0.806SS**  trans69.7147.5162.5-68-171.3151.100119.6
674S28.6Very low30Very low109 Ų109151.7 Ų151.776%0.76281%0.812SS**  cis-176.6138.6-37.352.20000106.4
675G29.9Very low29.8Very low74 Ų74150.7 Ų150.776%0.76381%0.81SS**  trans113.592.3161.100000116.1
676R29.8Very low29.9Very low234 Ų234151 Ų15188%0.88382%0.816SS**  84.2118.384.8-88.6-170.4-174.3175.64.1117
677Y26.2Very low29.7Very low203 Ų203150 Ų15080%0.79681%0.814SS**  trans9092.9143.1-91.9-92.6000123
678Q32.6Very low29.8Very low177 Ų177153.2 Ų153.283%0.82781%0.814SS**  42.3159.4113.8-92.8-158.4-10.400124.7
679P40.8Very low29.8Very low122 Ų122152 Ų15279%0.79282%0.817SS**  -129.3-174-12442.6-24.3000116.2
680G27.7Very low29.3Very low79 Ų79153 Ų15381%0.81482%0.817SS**  trans179.2129.4158.800000117.5
681G29.6Very low29.3Very low77 Ų77153.3 Ų153.379%0.79482%0.818SS**  112.591.5127.900000121.6
682R30.1Very low29.3Very low250 Ų250154 Ų15494%0.94382%0.818SS**  trans50.4127.7130.1-74.3-178.3178.6176.7-0.2123.7
683Y29.1Very low29.4Very low228 Ų228156 Ų15689%0.89482%0.821SS**  trans-55.4149.1158.7-65.1-94.9000115.9
684L29.8Very low29.3Very low175 Ų175154.5 Ų154.592%0.91682%0.819SS**  trans-146.1126.2151.3-96.5166.5000110.4
685S25.8Very low29.3Very low112 Ų112159.7 Ų159.778%0.78385%0.845SS**  trans-93153.2165.783.90000109.2
686M28.3Very low29.3Very low186 Ų186164 Ų16492%0.91685%0.849SS**  trans-139.7129.8163.9-84.1-161.773.800111.1
687S26.3Very low29.3Very low102 Ų102160.3 Ų160.371%0.71385%0.848SS**  trans-103.6147.5169.375.80000111.1
688R30.9Very low29.4Very low225 Ų225157.9 Ų157.985%0.84985%0.85SS**  trans56130.6144.4-109.7-176.9175.2-179.2-2.3120.9
689S27.9Very low29.2Very low122 Ų122156.8 Ų156.885%0.85385%0.852SS**  trans-155.2119.2141.555.90000111.2
690D29.2Very low28.5Very low131 Ų131158.9 Ų158.970%0.70186%0.856SS**  trans-70.2170.4157.8-77.3-53.1000110.8
691I29.4Very low28.6Very low147 Ų147164.3 Ų164.375%0.75486%0.858SS**  trans120.4107.3159.5-61.2158.8000112.8
692F27.9Very low28.5Very low196 Ų196170.5 Ų170.586%0.8686%0.863SS**  -170129.5110.5-106.9-76.9000111.9
693N28.3Very low28.4Very low143 Ų143164.4 Ų164.477%0.76586%0.857SS**  trans-90.2168.1161.7-93.1-23.7000109.7
694D26.8Very low28.3Very low153 Ų153159.1 Ų159.182%0.81885%0.854SS**  trans91.594.3165.7-59.5-16.5000117.6
695V29.2Very low28.2Very low217 Ų217157.6 Ų157.6100%1.31585%0.848SS**  -177.90109.1163.60000109.6

Retrieved 695 of 695 residues in 125.3 ms (Link to these results)

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