A0A060WZI0_ONCMY Loading...

Novel acetylcholine receptor chaperone

AlphaFold DB , UniProt , Accession A0A060WZI0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110504934, Length 160 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
1M41.2Very low66.2Low244 Ų24488.5 Ų88.5100%1.20251%0.511SS*.  0124.50-72.7169.9-175.200107.5S3M1-S3 PolarHBondContact O-N 3.17Å
2A47.9Very low67.2Low66 Ų6687.4 Ų87.455%0.54550%0.502SS..  trans-67.4132.2177.300000109I7A2-I7 HydrophobicContact CB-CD1 4.22Å; A2-I7 HydrophobicContact CB-CG1 4.01Å
3S62.6Low67.8Low46 Ų4680.7 Ų80.732%0.32246%0.463SS..  trans-56.5140.4178.3-179.90000109.7M1 R5 T6 I7M1-S3 PolarHBondContact O-N 3.17Å; S3-R5 PolarHBondContact O-N 3.16Å; S3-T6 WeakPolarHBondContact O-CB 3.29Å; S3-T6 PolarHBondContact O-N 3.1Å; S3-I7 PolarHBondContact O-N 3.18Å
4P69.5Low68.8Low96 Ų9683 Ų8362%0.62347%0.466SS*.Hα-helixtrans-50.3-30.7178.7-26.131.8000113.2T8P4-T8 WeakPolarHBondContact O-CB 3.15Å; P4-T8 PolarHBondContact O-N 3.36Å; P4-T8 PolarHBondContact O-OG1 3.19Å
5R63.9Low69.7Low104 Ų10481.5 Ų81.539%0.39247%0.468SS..Hα-helixtrans-65.8-45.7175.4-64.8-168.6173.1110.218.9112.4S3 I7 T8 I9 E142 E146S3-R5 PolarHBondContact O-N 3.16Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.09Å; R5-T8 PolarHBondContact O-N 2.97Å; R5-I9 WeakPolarHBondContact O-CB 3.49Å; R5-I9 VanDerWaalsContact O-CD1 3.26Å; R5-I9 WeakPolarHBondContact O-CD1 3.07Å; R5-I9 WeakPolarHBondContact O-CG1 3.21Å; R5-I9 PolarHBondContact O-N 3.43Å; R5-E142 WeakPolarHBondContact CD-OE1 3.47Å; R5-E142 IonicContact CZ-OE1 3.52Å; R5-E142 IonicContact NE-OE1 3.55Å; R5-E142 IonicContact NH1-OE1 2.83Å; R5-E142 PolarHBondContact NH1-OE1 2.83Å; R5-E146 IonicContact CZ-OE1 3.37Å; R5-E146 IonicContact NH1-OE1 2.67Å; R5-E146 PolarHBondContact NH1-OE1 3.34Å; R5-E146 IonicContact NH2-OE1 3.4Å; R5-E146 PolarHBondContact NH2-OE1 2.92Å
6T68.1Low70.2Confident74 Ų7477 Ų7745%0.45444%0.442SS..Hα-helixtrans-59.9-43.4177.6-480000110.8S3 I9 V10S3-T6 WeakPolarHBondContact O-CB 3.29Å; S3-T6 PolarHBondContact O-N 3.1Å; T6-I9 PolarHBondContact O-N 3.28Å; T6-V10 WeakPolarHBondContact O-CB 3.43Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.42Å; T6-V10 PolarHBondContact O-N 3.38Å
7I74.3Confident70.7Confident100 Ų10072.5 Ų72.551%0.51342%0.416SS..Hα-helixtrans-63.1-46.3178.2-61.9166.2000110.3A2 S3 R5 I9 V10 A11A2-I7 HydrophobicContact CB-CD1 4.22Å; A2-I7 HydrophobicContact CB-CG1 4.01Å; S3-I7 PolarHBondContact O-N 3.18Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.09Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.76Å; I7-V10 PolarHBondContact O-N 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.44Å
8T75.3Confident71.5Confident81 Ų8174.4 Ų74.450%0.49742%0.424SS..Hα-helixtrans-61.2-43.3178.6-540000111.5P4 R5 A11 L12P4-T8 WeakPolarHBondContact O-CB 3.15Å; P4-T8 PolarHBondContact O-N 3.36Å; P4-T8 PolarHBondContact O-OG1 3.19Å; R5-T8 PolarHBondContact O-N 2.97Å; T8-A11 PolarHBondContact O-N 3.36Å; T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 VanDerWaalsContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CB 3.29Å; T8-L12 PolarHBondContact O-N 3.13Å
9I72.5Confident72Confident34 Ų3474.8 Ų74.817%0.17442%0.42CS..Hα-helixtrans-65.6-41.2178.5-66.8157.4000111.1R5 T6 I7 L12 S13 R128 I131R5-I9 WeakPolarHBondContact O-CB 3.49Å; R5-I9 VanDerWaalsContact O-CD1 3.26Å; R5-I9 WeakPolarHBondContact O-CD1 3.07Å; R5-I9 WeakPolarHBondContact O-CG1 3.21Å; R5-I9 PolarHBondContact O-N 3.43Å; T6-I9 PolarHBondContact O-N 3.28Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.76Å; I9-L12 PolarHBondContact O-N 3.21Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.13Å; I9-S13 PolarHBondContact O-OG 3.43Å; I9-R128 HydrophobicContact CG2-CG 3.97Å; I9-I131 HydrophobicContact CD1-CG2 3.42Å; I9-I131 VanDerWaalsContact CD1-CG2 3.42Å; I9-I131 HydrophobicContact CG1-CG2 4.28Å
10V72.6Confident72.2Confident71 Ų7171.2 Ų71.243%0.4340%0.4SS..Hα-helixtrans-65.1-46.4177.6169.90000110.4T6 I7 L12 S13 F14T6-V10 WeakPolarHBondContact O-CB 3.43Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.42Å; T6-V10 PolarHBondContact O-N 3.38Å; I7-V10 PolarHBondContact O-N 3.31Å; V10-L12 PolarHBondContact O-N 3.19Å; V10-S13 WeakPolarHBondContact O-CB 3.21Å; V10-S13 PolarHBondContact O-N 3.29Å; V10-F14 PolarHBondContact O-N 3.04Å
11A79.9Confident72.6Confident57 Ų5769.8 Ų69.847%0.47139%0.393SS..Hα-helixtrans-60.9-44.517600000112I7 T8 S13 F14 A15I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.44Å; T8-A11 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 3.33Å; A11-F14 PolarHBondContact O-N 3.43Å; A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.97Å
12L78.3Confident74.4Confident76 Ų7664.7 Ų64.740%0.39836%0.364SS..Hα-helixtrans-57.2-46172.8-102.3153.8000111.4T8 I9 V10 F14 A15 L16T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 VanDerWaalsContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CB 3.29Å; T8-L12 PolarHBondContact O-N 3.13Å; I9-L12 PolarHBondContact O-N 3.21Å; V10-L12 PolarHBondContact O-N 3.19Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.05Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 2.73Å
13S75.4Confident75.5Confident0 Ų064 Ų640%035%0.35CS..Hα-helixtrans-63-40.6-179.6-50.50000111.9I9 V10 A11 G17 R128I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.13Å; I9-S13 PolarHBondContact O-OG 3.43Å; V10-S13 WeakPolarHBondContact O-CB 3.21Å; V10-S13 PolarHBondContact O-N 3.29Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 3.33Å; S13-G17 PolarHBondContact O-N 3.38Å; S13-R128 VanDerWaalsContact OG-CZ 3.25Å; S13-R128 PolarHBondContact OG-NE 3.39Å; S13-R128 PolarHBondContact OG-NH2 3.35Å
14F81.4Confident75.9Confident113 Ų11361.8 Ų61.850%0.49634%0.335SS..Hα-helixtrans-66.2-48.3179.4-173.4-92.2000111.3V10 A11 L12 L16 G17 L18 T80V10-F14 PolarHBondContact O-N 3.04Å; A11-F14 PolarHBondContact O-N 3.43Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.43Å; F14-L16 PolarHBondContact O-N 3.3Å; F14-G17 PolarHBondContact O-N 3.46Å; F14-L18 PolarHBondContact O-N 2.84Å; F14-T80 HydrophobicContact CD2-CG2 3.54Å; F14-T80 HydrophobicContact CE2-CG2 3.34Å; F14-T80 HydrophobicContact CG-CG2 4.35Å; F14-T80 HydrophobicContact CZ-CG2 4Å
15A82.9Confident76Confident60 Ų6060.5 Ų60.550%0.49633%0.325SS..Hα-helixtrans-61.3-44.1176.600000111.9A11 L12 L18 F19A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 2.84Å; A15-L18 PolarHBondContact O-N 3.4Å; A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.96Å
16L78.2Confident76.3Confident10 Ų1059.5 Ų59.55%0.05233%0.327CS..Hα-helixtrans-63.7-44.1176.9-72.3171.5000112.3L12 F14 L18 F19 F20 L79 F121 L124L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.05Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 2.73Å; F14-L16 PolarHBondContact O-N 3.3Å; L16-L18 PolarHBondContact O-N 3.04Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-F20 PolarHBondContact O-N 3.48Å; L16-L79 HydrophobicContact CB-CD2 4.36Å; L16-F121 HydrophobicContact CD2-CD1 3.44Å; L16-F121 VanDerWaalsContact CD2-CD1 3.44Å; L16-F121 HydrophobicContact CD2-CE1 3.47Å; L16-F121 VanDerWaalsContact CD2-CE1 3.47Å; L16-L124 HydrophobicContact CD1-CB 4.29Å; L16-L124 HydrophobicContact CD2-CB 4.37Å; L16-L124 HydrophobicContact CD2-CD1 4.04Å
17G78.8Confident76Confident0 Ų058.6 Ų58.60%032%0.317CS..Hα-helixtrans-61.3-44.5178.300000111.9S13 F14 F19 F20 V21 T80S13-G17 PolarHBondContact O-N 3.38Å; F14-G17 PolarHBondContact O-N 3.46Å; G17-F19 VanDerWaalsContact C-N 3.31Å; G17-F19 PolarHBondContact O-N 3.21Å; G17-F20 PolarHBondContact O-N 2.87Å; G17-V21 WeakPolarHBondContact O-CG2 3.16Å; G17-V21 PolarHBondContact O-N 2.84Å; G17-T80 VanDerWaalsContact C-OG1 3.28Å; G17-T80 WeakPolarHBondContact CA-OG1 3.43Å
18L83.6Confident75.2Confident107 Ų10758 Ų5856%0.5631%0.314SS*.Hα-helixtrans-60.9-42.4175.5-150.587.7000111.5F14 A15 L16 F20 V21 F22 T80F14-L18 PolarHBondContact O-N 2.84Å; A15-L18 PolarHBondContact O-N 3.4Å; L16-L18 PolarHBondContact O-N 3.04Å; L18-F20 PolarHBondContact O-N 2.95Å; L18-V21 PolarHBondContact O-N 3.5Å; L18-F22 PolarHBondContact O-N 3.32Å; L18-T80 PolarHBondContact N-OG1 2.83Å
19F81.4Confident74.1Confident82 Ų8258.3 Ų58.336%0.3632%0.316SS..Hα-helixtrans-65.2-39.2178.3-153.7-72.9000112.4A15 L16 G17 F22 M23 H117 F121A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.96Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 PolarHBondContact O-N 2.84Å; G17-F19 VanDerWaalsContact C-N 3.31Å; G17-F19 PolarHBondContact O-N 3.21Å; F19-F22 PolarHBondContact O-N 2.89Å; F19-M23 HydrophobicContact CD1-CG 3.74Å; F19-M23 HydrophobicContact CE1-CG 3.4Å; F19-M23 HydrophobicContact CE1-SD 4.36Å; F19-M23 PolarHBondContact O-N 3.3Å; F19-H117 AromaticContact CE1-CD2 3.73Å; F19-H117 AromaticContact CE1-CE1 3.47Å; F19-H117 VanDerWaalsContact CE1-CE1 3.47Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.23Å; F19-H117 AromaticContact CE1-NE2 2.89Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.43Å; F19-H117 AromaticContact CZ-CD2 4Å; F19-H117 AromaticContact CZ-CE1 3.56Å; F19-H117 AromaticContact CZ-NE2 2.9Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.28Å; F19-F121 HydrophobicContact CB-CE1 4.41Å; F19-F121 HydrophobicContact CB-CZ 4.02Å; F19-F121 HydrophobicContact CD1-CD2 4.46Å; F19-F121 HydrophobicContact CD1-CE1 4.09Å; F19-F121 AromaticContact CD1-CE2 3.2Å; F19-F121 HydrophobicContact CD1-CE2 3.2Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.09Å; F19-F121 AromaticContact CE1-CE2 3.36Å; F19-F121 HydrophobicContact CE1-CE2 3.36Å; F19-F121 AromaticContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE2-CZ 4.36Å; F19-F121 HydrophobicContact CG-CE1 4.19Å; F19-F121 HydrophobicContact CG-CE2 4.09Å; F19-F121 AromaticContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CG-CZ 3.4Å; F19-F121 VanDerWaalsContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CZ-CE2 4.34Å; F19-F121 HydrophobicContact CZ-CZ 4.05Å
20F76.1Confident73Confident3 Ų361.8 Ų61.81%0.01334%0.341CS..Hα-helixtrans-64.5-41.5175.9-105.5-91.2000112.8L16 G17 L18 F22 G24 E72 L94 M98 F121 L125L16-F20 PolarHBondContact O-N 3.48Å; G17-F20 PolarHBondContact O-N 2.87Å; L18-F20 PolarHBondContact O-N 2.95Å; F20-F22 VanDerWaalsContact C-N 3.31Å; F20-F22 PolarHBondContact O-N 3.48Å; F20-G24 WeakPolarHBondContact O-CA 3.31Å; F20-G24 PolarHBondContact O-N 3.3Å; F20-E72 HydrophobicContact CD1-CB 3.91Å; F20-E72 HydrophobicContact CD1-CG 3.89Å; F20-E72 HydrophobicContact CE1-CB 4.41Å; F20-E72 HydrophobicContact CE1-CG 3.87Å; F20-L94 HydrophobicContact CD1-CD2 3.54Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 HydrophobicContact CE1-CD2 3.33Å; F20-L94 HydrophobicContact CE2-CD2 4.26Å; F20-L94 HydrophobicContact CG-CD2 4.08Å; F20-L94 HydrophobicContact CZ-CD2 3.72Å; F20-M98 HydrophobicContact CE1-CE 4.28Å; F20-M98 HydrophobicContact CE1-CG 3.94Å; F20-M98 HydrophobicContact CE1-SD 3.5Å; F20-M98 WeakPolarHBondContact CE1-SD 3.31Å; F20-M98 HydrophobicContact CZ-CE 3.68Å; F20-M98 HydrophobicContact CZ-CG 3.59Å; F20-M98 HydrophobicContact CZ-SD 3.42Å; F20-M98 WeakPolarHBondContact CZ-SD 3.3Å; F20-F121 HydrophobicContact CE2-CB 3.85Å; F20-F121 HydrophobicContact CE2-CD1 4.33Å; F20-F121 HydrophobicContact CE2-CD2 4.41Å; F20-F121 AromaticContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CZ-CB 4.19Å; F20-L125 HydrophobicContact CE2-CD1 3.74Å; F20-L125 HydrophobicContact CZ-CD1 3.7Å
21V80.1Confident71.6Confident41 Ų4169.8 Ų69.825%0.24836%0.363CS..Hα-helixtrans-58.8-48.3172.91730000109.5G17 L18 G24 T25 V73 V77G17-V21 WeakPolarHBondContact O-CG2 3.16Å; G17-V21 PolarHBondContact O-N 2.84Å; L18-V21 PolarHBondContact O-N 3.5Å; V21-G24 PolarHBondContact O-N 3.04Å; V21-T25 WeakPolarHBondContact O-CG2 3.13Å; V21-T25 PolarHBondContact O-N 2.85Å; V21-T25 PolarHBondContact O-OG1 3.48Å; V21-V73 HydrophobicContact CG1-CG1 4.44Å; V21-V77 HydrophobicContact CG2-CG2 3.79Å
22F79.1Confident70.2Confident137 Ų13769.4 Ų69.460%0.60135%0.353SS*.Hα-helixtrans-61.9-50.2179.8-156.7-101.9000112.3L18 F19 F20 G24 T25 I26L18-F22 PolarHBondContact O-N 3.32Å; F19-F22 PolarHBondContact O-N 2.89Å; F20-F22 VanDerWaalsContact C-N 3.31Å; F20-F22 PolarHBondContact O-N 3.48Å; F22-G24 PolarHBondContact O-N 3.43Å; F22-T25 PolarHBondContact O-N 2.93Å; F22-T25 PolarHBondContact O-OG1 3.13Å; F22-I26 HydrophobicContact CD1-CD1 3.65Å; F22-I26 HydrophobicContact CE1-CD1 3.61Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.15Å
23M72.3Confident68.6Low51 Ų5170.3 Ų70.325%0.25137%0.366SS..Hα-helixtrans-65.1-36.3177.3-83.3-65-87.100113.5F19 I26 K27F19-M23 HydrophobicContact CD1-CG 3.74Å; F19-M23 HydrophobicContact CE1-CG 3.4Å; F19-M23 HydrophobicContact CE1-SD 4.36Å; F19-M23 PolarHBondContact O-N 3.3Å; M23-I26 PolarHBondContact O-N 2.87Å; M23-I26 HydrophobicContact SD-CD1 4.48Å; M23-K27 WeakPolarHBondContact O-CB 3.17Å; M23-K27 PolarHBondContact O-N 3.28Å
24G69.5Low67.2Low0 Ų078.8 Ų78.80%040%0.403CS..Hα-helixtrans-63.8-42175.900000111.8F20 V21 F22 K27 L28F20-G24 WeakPolarHBondContact O-CA 3.31Å; F20-G24 PolarHBondContact O-N 3.3Å; V21-G24 PolarHBondContact O-N 3.04Å; F22-G24 PolarHBondContact O-N 3.43Å; G24-K27 PolarHBondContact O-N 3.2Å; G24-L28 WeakPolarHBondContact O-CD1 3.27Å; G24-L28 PolarHBondContact O-N 2.86Å
25T73.4Confident65.7Low69 Ų6978 Ų7842%0.42340%0.403SS..Hα-helixtrans-65.3-38.2173.361.70000112.8V21 F22 L28 T29 V73V21-T25 WeakPolarHBondContact O-CG2 3.13Å; V21-T25 PolarHBondContact O-N 2.85Å; V21-T25 PolarHBondContact O-OG1 3.48Å; F22-T25 PolarHBondContact O-N 2.93Å; F22-T25 PolarHBondContact O-OG1 3.13Å; T25-L28 WeakPolarHBondContact O-CB 3.38Å; T25-L28 PolarHBondContact O-N 3.11Å; T25-T29 PolarHBondContact O-N 3.18Å; T25-T29 PolarHBondContact O-OG1 3.36Å; T25-V73 HydrophobicContact CG2-CG2 4.16Å
26I70.2Confident64.1Low84 Ų8475.9 Ų75.943%0.43139%0.386SS..Hα-helixtrans-65.5-41.6174.3-68.1172.5000111F22 M23 L28 T29F22-I26 HydrophobicContact CD1-CD1 3.65Å; F22-I26 HydrophobicContact CE1-CD1 3.61Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.15Å; M23-I26 PolarHBondContact O-N 2.87Å; M23-I26 HydrophobicContact SD-CD1 4.48Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.23Å; I26-T29 WeakPolarHBondContact O-CB 3.46Å; I26-T29 PolarHBondContact O-N 3.22Å
27K60.4Low62.6Low54 Ų5482.5 Ų82.524%0.23541%0.412CS..Hα-helixtrans-67.2-27.1175.9-84175.6173178.70113.4M23 G24 T29 E72M23-K27 WeakPolarHBondContact O-CB 3.17Å; M23-K27 PolarHBondContact O-N 3.28Å; G24-K27 PolarHBondContact O-N 3.2Å; K27-T29 PolarHBondContact O-N 2.73Å; K27-E72 WeakPolarHBondContact CD-OE2 2.88Å; K27-E72 VanDerWaalsContact NZ-CD 3.3Å; K27-E72 IonicContact NZ-OE1 3.71Å; K27-E72 PolarHBondContact NZ-OE1 3.23Å; K27-E72 IonicContact NZ-OE2 3.28Å; K27-E72 PolarHBondContact NZ-OE2 3.48Å; K27-E72 VanDerWaalsContact NZ-OE2 3.11Å
28L58.6Low61.3Low88 Ų8885.7 Ų85.746%0.46143%0.434SS..Hα-helixtrans-67.1-22170.6-109.480.3000112.2G24 T25 I26G24-L28 WeakPolarHBondContact O-CD1 3.27Å; G24-L28 PolarHBondContact O-N 2.86Å; T25-L28 WeakPolarHBondContact O-CB 3.38Å; T25-L28 PolarHBondContact O-N 3.11Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.23Å
29T52Low59.7Low87 Ų8781.5 Ų81.553%0.53441%0.412SS..SBendtrans-74.5127.8-179.9-57.60000110.5T25 I26 K27 R31T25-T29 PolarHBondContact O-N 3.18Å; T25-T29 PolarHBondContact O-OG1 3.36Å; I26-T29 WeakPolarHBondContact O-CB 3.46Å; I26-T29 PolarHBondContact O-N 3.22Å; K27-T29 PolarHBondContact O-N 2.73Å; T29-R31 PolarHBondContact O-N 3.49Å
30P49.9Very low58.2Low108 Ų10878.5 Ų78.570%0.70140%0.399SS*.SBendtrans-79.532.8-156.732.7-37.6000115.6L32P30-L32 PolarHBondContact O-N 3.24Å
31R42.3Very low57Low239 Ų23986.1 Ų86.190%0.90243%0.432SS*.  trans-77.41.8-172.2-142.6-167.6-178.1176.92.4115.6T29T29-R31 PolarHBondContact O-N 3.49Å
32L50.3Low55.9Low48 Ų4891.5 Ų91.525%0.25145%0.448SS..  trans-126.555.7-173.8-93.7141.9000110.6P30 D35 A36 R65P30-L32 PolarHBondContact O-N 3.24Å; L32-D35 HydrophobicContact CD2-CB 4.48Å; L32-A36 WeakPolarHBondContact O-CB 3.12Å; L32-R65 PolarHBondContact O-NH1 2.84Å
33S45.8Very low54.6Low95 Ų9585.2 Ų85.266%0.66442%0.421SS*.SBendtrans-80.1-28.8-171.4158.40000114.5
34K44.8Very low53.7Low179 Ų17986.5 Ų86.578%0.77842%0.424SS*.SBendtrans-98.9-48.1-174.5-72.6-177.2177.4177.60113.7A36 Y37K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; K34-Y37 PolarHBondContact O-N 2.98Å
35D49.7Very low53Low95 Ų9594.6 Ų94.651%0.50846%0.459SS..Hα-helixtrans-67.2-32.8178.2-59-58.4000112.5L32 Y37 S38 E39L32-D35 HydrophobicContact CD2-CB 4.48Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.83Å; D35-S38 PolarHBondContact O-N 3.3Å; D35-S38 PolarHBondContact O-OG 2.8Å; D35-E39 VanDerWaalsContact O-CB 3.31Å; D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.33Å
36A49.9Very low52.1Low17 Ų1793.7 Ų93.714%0.1446%0.456CS..Hα-helixtrans-67.2-26.2175.500000113.3L32 K34 M40L32-A36 WeakPolarHBondContact O-CB 3.12Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; A36-M40 WeakPolarHBondContact O-CB 3.37Å; A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.38Å
37Y46.4Very low51.3Low148 Ų14894 Ų9458%0.5845%0.452SS*.Hα-helixtrans-76.5-39.4-178.5-157.8-93.8000111.5K34 D35 K41K34-Y37 PolarHBondContact O-N 2.98Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.83Å; Y37-K41 PolarHBondContact O-N 3.11Å
38S50.7Low50.9Low68 Ų6892.9 Ų92.948%0.47645%0.453SS..Hα-helixtrans-71.5-42.3174.557.40000111.5D35 M40 K41 R42D35-S38 PolarHBondContact O-N 3.3Å; D35-S38 PolarHBondContact O-OG 2.8Å; S38-M40 VanDerWaalsContact C-N 3.33Å; S38-M40 PolarHBondContact O-N 3.44Å; S38-K41 PolarHBondContact O-N 3.38Å; S38-R42 PolarHBondContact O-N 3.03Å
39E51.7Low50.7Low18 Ų1897.8 Ų97.88%0.08447%0.47CS..Hα-helixtrans-50.6-53.1170.8-81.5-94.6157.800111.2D35 K41 R42 A43 H105 V108D35-E39 VanDerWaalsContact O-CB 3.31Å; D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.33Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 2.81Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 VanDerWaalsContact O-N 3.15Å; E39-A43 WeakPolarHBondContact O-CB 3.15Å; E39-A43 PolarHBondContact O-N 2.97Å; E39-H105 IonicContact OE1-CD2 3.68Å; E39-V108 HydrophobicContact CB-CG1 4.32Å; E39-V108 HydrophobicContact CB-CG2 3.99Å; E39-V108 HydrophobicContact CG-CB 3.97Å; E39-V108 HydrophobicContact CG-CG1 3.54Å; E39-V108 HydrophobicContact CG-CG2 3.92Å; E39-V108 WeakPolarHBondContact OE1-CB 3.33Å; E39-V108 WeakPolarHBondContact OE1-CG1 3.49Å; E39-V108 VanDerWaalsContact OE2-CG2 3.31Å; E39-V108 WeakPolarHBondContact OE2-CG2 3.42Å
40M49.2Very low50.6Low19 Ų1997.5 Ų97.59%0.09448%0.476CS..Hα-helixtrans-66.9-32.3-175.9-84.5-116.219.900114A36 S38 R42 A43 Y44 S61 L64A36-M40 WeakPolarHBondContact O-CB 3.37Å; A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.38Å; S38-M40 VanDerWaalsContact C-N 3.33Å; S38-M40 PolarHBondContact O-N 3.44Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 2.75Å; M40-A43 WeakPolarHBondContact O-CB 3.08Å; M40-Y44 VanDerWaalsContact O-CB 3.27Å; M40-Y44 WeakPolarHBondContact O-CB 3.31Å; M40-Y44 PolarHBondContact O-N 3.2Å; M40-S61 WeakPolarHBondContact CB-OG 2.84Å; M40-S61 VanDerWaalsContact CE-CA 3.41Å; M40-S61 WeakPolarHBondContact SD-CA 3.19Å; M40-S61 VanDerWaalsContact SD-CB 3.59Å; M40-L64 HydrophobicContact CE-CB 3.69Å; M40-L64 HydrophobicContact CE-CD1 4.37Å; M40-L64 HydrophobicContact CE-CD2 3.72Å; M40-L64 HydrophobicContact CE-CG 4.13Å; M40-L64 HydrophobicContact SD-CB 3.3Å; M40-L64 WeakPolarHBondContact SD-CB 3.34Å; M40-L64 HydrophobicContact SD-CD2 3.8Å; M40-L64 HydrophobicContact SD-CG 4.15Å
41K51.7Low50.2Low163 Ų16396.6 Ų96.671%0.70947%0.465SS*.Hα-helixtrans-67.1-34.3175.9-157.9176.4-175.7-179.90111.2Y37 S38 E39 K45Y37-K41 PolarHBondContact O-N 3.11Å; S38-K41 PolarHBondContact O-N 3.38Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 2.81Å; K41-K45 PolarHBondContact O-N 2.61Å
42R55.7Low50.4Low155 Ų15590.2 Ų90.259%0.58546%0.455SS*.Hα-helixtrans-74.2-45.4176.6-132.2-179.8-172-177.48111.5S38 E39 M40 Y44 K45 S46 L107 V108S38-R42 PolarHBondContact O-N 3.03Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 VanDerWaalsContact O-N 3.15Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 2.75Å; R42-Y44 PolarHBondContact O-N 3.14Å; R42-K45 WeakPolarHBondContact O-CB 3.49Å; R42-K45 PolarHBondContact O-N 3.31Å; R42-S46 PolarHBondContact O-N 3.28Å; R42-L107 PolarHBondContact NH1-O 3.43Å; R42-V108 HydrophobicContact CB-CG2 4.31Å
43A52.1Low50.3Low4 Ų490.3 Ų90.33%0.03347%0.467CS..Hα-helixtrans-52.7-49.1170.600000113.1E39 M40 K45 S46 Y47 F104E39-A43 WeakPolarHBondContact O-CB 3.15Å; E39-A43 PolarHBondContact O-N 2.97Å; M40-A43 WeakPolarHBondContact O-CB 3.08Å; A43-K45 PolarHBondContact O-N 3.35Å; A43-S46 PolarHBondContact O-N 3.18Å; A43-S46 VanDerWaalsContact O-N 3.13Å; A43-Y47 PolarHBondContact O-N 3.4Å; A43-F104 HydrophobicContact CB-CD1 3.28Å; A43-F104 HydrophobicContact CB-CE1 3.14Å; A43-F104 HydrophobicContact CB-CG 4.37Å; A43-F104 HydrophobicContact CB-CZ 4.1Å
44Y53Low50.3Low78 Ų7888.1 Ų88.131%0.30645%0.448SS..Hα-helixtrans-60.5-35179.5-158.4-91000111.9M40 R42 A48M40-Y44 VanDerWaalsContact O-CB 3.27Å; M40-Y44 WeakPolarHBondContact O-CB 3.31Å; M40-Y44 PolarHBondContact O-N 3.2Å; R42-Y44 PolarHBondContact O-N 3.14Å; Y44-A48 WeakPolarHBondContact O-CB 3.4Å; Y44-A48 PolarHBondContact O-N 3.18Å
45K55Low50.3Low170 Ų17086.7 Ų86.774%0.73944%0.442SS*.Hα-helixtrans-69.7-34.4178.2-149177-171.3-175.80112.2K41 R42 A43K41-K45 PolarHBondContact O-N 2.61Å; R42-K45 WeakPolarHBondContact O-CB 3.49Å; R42-K45 PolarHBondContact O-N 3.31Å; A43-K45 PolarHBondContact O-N 3.35Å
46S55.6Low50.1Low51 Ų5191.9 Ų91.936%0.35746%0.46SS..Hα-helixtrans-77.1-41.2175.2-143.50000111.6R42 A43 K49 A50R42-S46 PolarHBondContact O-N 3.28Å; A43-S46 PolarHBondContact O-N 3.18Å; A43-S46 VanDerWaalsContact O-N 3.13Å; S46-K49 WeakPolarHBondContact O-CB 3.24Å; S46-K49 PolarHBondContact O-N 3Å; S46-A50 PolarHBondContact O-N 3.32Å
47Y52.9Low49.9Very low91 Ų9197.4 Ų97.436%0.35748%0.484SS..Hα-helixtrans-65.8-42.5175.6-105.9-87.2000113.4A43 K49 A50 L51 L54 F104A43-Y47 PolarHBondContact O-N 3.4Å; Y47-K49 PolarHBondContact O-N 3.43Å; Y47-A50 PolarHBondContact O-N 3.05Å; Y47-A50 VanDerWaalsContact O-N 3.11Å; Y47-L51 PolarHBondContact O-N 3.5Å; Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CE1-CD2 4.05Å; Y47-L54 HydrophobicContact CG-CD2 4.34Å; Y47-F104 AromaticContact CD2-CE1 3.66Å; Y47-F104 HydrophobicContact CD2-CE1 3.66Å; Y47-F104 AromaticContact CD2-CZ 3.57Å; Y47-F104 HydrophobicContact CD2-CZ 3.57Å; Y47-F104 AromaticContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE2 4.07Å; Y47-F104 AromaticContact CE2-CZ 3.12Å; Y47-F104 HydrophobicContact CE2-CZ 3.12Å
48A51.6Low49.9Very low30 Ų3093.2 Ų93.225%0.24849%0.486CS..Hα-helixtrans-64.6-18175.900000113Y44 K55Y44-A48 WeakPolarHBondContact O-CB 3.4Å; Y44-A48 PolarHBondContact O-N 3.18Å; A48-K55 HydrophobicContact CB-CG 4.48Å
49K53.7Low49.9Very low191 Ų19191.5 Ų91.583%0.8347%0.471SS*.Hα-helixtrans-85-32.2174.5-144.1-179.5-174.8-1740112S46 Y47S46-K49 WeakPolarHBondContact O-CB 3.24Å; S46-K49 PolarHBondContact O-N 3Å; Y47-K49 PolarHBondContact O-N 3.43Å
50A50.5Low50Low80 Ų8093.4 Ų93.466%0.66149%0.486SS*.Hα-helixtrans-87.7-28179.100000113.7S46 Y47S46-A50 PolarHBondContact O-N 3.32Å; Y47-A50 PolarHBondContact O-N 3.05Å; Y47-A50 VanDerWaalsContact O-N 3.11Å
51L42.1Very low49.9Very low89 Ų8993.6 Ų93.647%0.46649%0.489SS..  trans-140.696.8-177.3-94.8150.4000110.5Y47 G53 L54Y47-L51 PolarHBondContact O-N 3.5Å; L51-G53 PolarHBondContact O-N 3.05Å; L51-G53 VanDerWaalsContact O-N 3.13Å; L51-L54 PolarHBondContact O-N 3.38Å
52P47Very low50Low106 Ų10690.5 Ų90.569%0.68848%0.484SS*.THydrogen-bonded Turntrans-62-20.2178.321.9-30.7000113.4K55P52-K55 WeakPolarHBondContact O-CB 3.25Å
53G46.3Very low50.1Low49 Ų4987.5 Ų87.551%0.50548%0.479SS..THydrogen-bonded Turntrans-70.4-31.9176.100000114.8L51 K55 K56L51-G53 PolarHBondContact O-N 3.05Å; L51-G53 VanDerWaalsContact O-N 3.13Å; G53-K55 PolarHBondContact O-N 3.27Å; G53-K56 PolarHBondContact O-N 3.48Å
54L46.9Very low50.5Low50 Ų5089 Ų8926%0.26249%0.486SS..G310 helixtrans-68.7-27.7177.8-111.270.9000112.2Y47 L51 K56 M57Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CE1-CD2 4.05Å; Y47-L54 HydrophobicContact CG-CD2 4.34Å; L51-L54 PolarHBondContact O-N 3.38Å; L54-K56 PolarHBondContact O-N 2.85Å; L54-M57 PolarHBondContact O-N 3.4Å; L54-M57 VanDerWaalsContact O-N 3.1Å
55K44.5Very low50.8Low149 Ų14988.9 Ų88.965%0.64849%0.486SS*.G310 helixtrans-62.6-28.1177.3-159.9-178.7-179.1-170.20112.4A48 P52 G53A48-K55 HydrophobicContact CB-CG 4.48Å; P52-K55 WeakPolarHBondContact O-CB 3.25Å; G53-K55 PolarHBondContact O-N 3.27Å
56K45.4Very low51.3Low204 Ų20487.5 Ų87.589%0.88748%0.479SS*.G310 helixtrans-76.9-18.8176.2-100.3-168.7176.5-170.90113.7G53 L54G53-K56 PolarHBondContact O-N 3.48Å; L54-K56 PolarHBondContact O-N 2.85Å
57M46Very low51.8Low133 Ų13388.6 Ų88.666%0.65548%0.481SS*.SBendtrans-101.5-0.6-166.5-153.6152.977.200114.8L54 I59L54-M57 PolarHBondContact O-N 3.4Å; L54-M57 VanDerWaalsContact O-N 3.1Å; M57-I59 VanDerWaalsContact C-N 3.31Å; M57-I59 HydrophobicContact CB-CD1 4.46Å; M57-I59 HydrophobicContact CB-CG1 4.19Å; M57-I59 HydrophobicContact CE-CD1 3.68Å; M57-I59 HydrophobicContact CE-CG1 4.44Å; M57-I59 HydrophobicContact CG-CG1 4.31Å; M57-I59 PolarHBondContact O-N 2.98Å; M57-I59 VanDerWaalsContact O-N 3.16Å
58G46.5Very low52.6Low60 Ų6085.9 Ų85.962%0.61947%0.472SS*.  trans5736165.700000115.5S60G58-S60 PolarHBondContact O-N 2.92Å
59I49.8Very low53.4Low32 Ų3284.5 Ų84.516%0.16446%0.461CS..  trans-75.5110.4-170.6-53.7179.7000110.5M57 L63 L64M57-I59 VanDerWaalsContact C-N 3.31Å; M57-I59 HydrophobicContact CB-CD1 4.46Å; M57-I59 HydrophobicContact CB-CG1 4.19Å; M57-I59 HydrophobicContact CE-CD1 3.68Å; M57-I59 HydrophobicContact CE-CG1 4.44Å; M57-I59 HydrophobicContact CG-CG1 4.31Å; M57-I59 PolarHBondContact O-N 2.98Å; M57-I59 VanDerWaalsContact O-N 3.16Å; I59-L63 HydrophobicContact CG2-CB 3.89Å; I59-L64 HydrophobicContact CG2-CD1 3.87Å
60S53.6Low54.4Low57 Ų5778.5 Ų78.540%0.39944%0.442SS..  trans-65.5154.8179.7173.80000113.4G58 V62 L63 L64G58-S60 PolarHBondContact O-N 2.92Å; S60-V62 PolarHBondContact O-N 3.19Å; S60-V62 VanDerWaalsContact O-N 3.13Å; S60-L63 WeakPolarHBondContact O-CB 2.86Å; S60-L63 PolarHBondContact O-N 3.24Å; S60-L64 PolarHBondContact O-N 3.03Å
61S48.1Very low55.5Low23 Ų2377.4 Ų77.416%0.16143%0.425CS..Hα-helixtrans-61.2-25.1-178.1-48.20000115.8M40M40-S61 WeakPolarHBondContact CB-OG 2.84Å; M40-S61 VanDerWaalsContact CE-CA 3.41Å; M40-S61 WeakPolarHBondContact SD-CA 3.19Å; M40-S61 VanDerWaalsContact SD-CB 3.59Å
62V53.5Low57.1Low99 Ų9973.3 Ų73.360%0.640%0.404SS*.Hα-helixtrans-76.4-35.2177.4-1730000110.5S60 K66S60-V62 PolarHBondContact O-N 3.19Å; S60-V62 VanDerWaalsContact O-N 3.13Å; V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.47Å; V62-K66 VanDerWaalsContact O-N 3.09Å
63L57.8Low58.6Low91 Ų9170.1 Ų70.148%0.47638%0.382SS..Hα-helixtrans-69.6-39.3178.6-96.687.9000111.8I59 S60 K66 I67I59-L63 HydrophobicContact CG2-CB 3.89Å; S60-L63 WeakPolarHBondContact O-CB 2.86Å; S60-L63 PolarHBondContact O-N 3.24Å; L63-K66 PolarHBondContact O-N 3.49Å; L63-I67 HydrophobicContact CB-CD1 4.4Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 2.92Å; L63-I67 WeakPolarHBondContact O-CD1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.41Å
64L60.3Low60.2Low36 Ų3669.4 Ų69.419%0.18838%0.375CS..Hα-helixtrans-65.3-44.1-178.7-132.480.4000111.7M40 I59 S60 K66 I67 I68 F104M40-L64 HydrophobicContact CE-CB 3.69Å; M40-L64 HydrophobicContact CE-CD1 4.37Å; M40-L64 HydrophobicContact CE-CD2 3.72Å; M40-L64 HydrophobicContact CE-CG 4.13Å; M40-L64 HydrophobicContact SD-CB 3.3Å; M40-L64 WeakPolarHBondContact SD-CB 3.34Å; M40-L64 HydrophobicContact SD-CD2 3.8Å; M40-L64 HydrophobicContact SD-CG 4.15Å; I59-L64 HydrophobicContact CG2-CD1 3.87Å; S60-L64 PolarHBondContact O-N 3.03Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.28Å; L64-I67 PolarHBondContact O-N 2.8Å; L64-I68 HydrophobicContact CD2-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.38Å; L64-I68 VanDerWaalsContact O-CB 3.31Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CD1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.3Å; L64-F104 HydrophobicContact CD2-CE2 4.14Å; L64-F104 HydrophobicContact CD2-CZ 3.96Å
65R59.8Low61.4Low76 Ų7667.7 Ų67.729%0.28737%0.367SS..Hα-helixtrans-61.2-42.4172.9171.7173.3-85.41590.5111.2L32 G69L32-R65 PolarHBondContact O-NH1 2.84Å; R65-G69 PolarHBondContact O-N 2.8Å
66K65.4Low63Low140 Ų14060.6 Ų60.661%0.60934%0.336SS*.Hα-helixtrans-64-45.6-179.8-155.8172.2178.1178.10110.4V62 L63 L64 S70V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.47Å; V62-K66 VanDerWaalsContact O-N 3.09Å; L63-K66 PolarHBondContact O-N 3.49Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.28Å; K66-S70 VanDerWaalsContact O-CB 3.27Å; K66-S70 WeakPolarHBondContact O-CB 3.31Å; K66-S70 PolarHBondContact O-N 2.86Å; K66-S70 PolarHBondContact O-OG 3.39Å
67I66.5Low64.6Low75 Ų7553.7 Ų53.739%0.38531%0.311SS..Hα-helixtrans-62.3-50.4176.8-71165.8000110.7L63 L64 S70 L71L63-I67 HydrophobicContact CB-CD1 4.4Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 2.92Å; L63-I67 WeakPolarHBondContact O-CD1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.41Å; L64-I67 PolarHBondContact O-N 2.8Å; I67-S70 WeakPolarHBondContact CA-OG 3.42Å; I67-S70 PolarHBondContact O-N 2.67Å; I67-S70 PolarHBondContact O-OG 3.14Å; I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 VanDerWaalsContact O-CD1 3.28Å; I67-L71 WeakPolarHBondContact O-CD1 3.17Å; I67-L71 PolarHBondContact O-N 3.47Å
68I69.1Low66.1Low34 Ų3449.9 Ų49.917%0.17430%0.295CS..Hα-helixtrans-60.7-49.4178.9-70.6162.5000110.3L64 S70 L71 E72 V97 V101L64-I68 HydrophobicContact CD2-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.38Å; L64-I68 VanDerWaalsContact O-CB 3.31Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CD1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.3Å; I68-S70 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 2.85Å; I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.42Å; I68-V97 HydrophobicContact CG2-CG1 4.17Å; I68-V101 HydrophobicContact CD1-CG2 4.22Å; I68-V101 HydrophobicContact CG1-CG2 4.5Å; I68-V101 HydrophobicContact CG2-CG2 3.48Å; I68-V101 VanDerWaalsContact CG2-CG2 3.48Å
69G68.5Low67.3Low1 Ų147.1 Ų47.11%0.0127%0.266CS..Hα-helixtrans-65.1-39179.500000112.5R65 E72 V73R65-G69 PolarHBondContact O-N 2.8Å; G69-E72 PolarHBondContact O-N 2.85Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.86Å
70S75Confident68.6Low64 Ų6446.8 Ų46.845%0.44827%0.266SS..Hα-helixtrans-70.9-30.5173.655.60000113.1K66 I67 I68 G74K66-S70 VanDerWaalsContact O-CB 3.27Å; K66-S70 WeakPolarHBondContact O-CB 3.31Å; K66-S70 PolarHBondContact O-N 2.86Å; K66-S70 PolarHBondContact O-OG 3.39Å; I67-S70 WeakPolarHBondContact CA-OG 3.42Å; I67-S70 PolarHBondContact O-N 2.67Å; I67-S70 PolarHBondContact O-OG 3.14Å; I68-S70 PolarHBondContact O-N 3.39Å; S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.14Å
71L73.8Confident69.4Low58 Ų5850.3 Ų50.330%0.30428%0.279SS..Hα-helixtrans-70.2-39.7171-104.990.8000110.9I67 I68 C75 L93 V97I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 VanDerWaalsContact O-CD1 3.28Å; I67-L71 WeakPolarHBondContact O-CD1 3.17Å; I67-L71 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 2.85Å; L71-C75 WeakPolarHBondContact O-CB 3.5Å; L71-C75 PolarHBondContact O-N 2.9Å; L71-C75 PolarHBondContact O-SG 3.48Å; L71-L93 HydrophobicContact CD2-CD2 4.21Å; L71-V97 HydrophobicContact CB-CG2 4.45Å; L71-V97 HydrophobicContact CD2-CG2 3.45Å; L71-V97 VanDerWaalsContact CD2-CG2 3.45Å
72E75.9Confident70Confident3 Ų351.6 Ų51.61%0.01429%0.286CS..Hα-helixtrans-62.6-44.8175.7-78.1-179130.900111.2F20 K27 I68 G69 G76 V97F20-E72 HydrophobicContact CD1-CB 3.91Å; F20-E72 HydrophobicContact CD1-CG 3.89Å; F20-E72 HydrophobicContact CE1-CB 4.41Å; F20-E72 HydrophobicContact CE1-CG 3.87Å; K27-E72 WeakPolarHBondContact CD-OE2 2.88Å; K27-E72 VanDerWaalsContact NZ-CD 3.3Å; K27-E72 IonicContact NZ-OE1 3.71Å; K27-E72 PolarHBondContact NZ-OE1 3.23Å; K27-E72 IonicContact NZ-OE2 3.28Å; K27-E72 PolarHBondContact NZ-OE2 3.48Å; K27-E72 VanDerWaalsContact NZ-OE2 3.11Å; I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.42Å; G69-E72 PolarHBondContact O-N 2.85Å; E72-G76 WeakPolarHBondContact O-CA 3.44Å; E72-G76 PolarHBondContact O-N 2.93Å; E72-V97 HydrophobicContact CG-CG1 4.49Å
73V78.8Confident70.2Confident38 Ų3851.6 Ų51.623%0.2329%0.288CS..Hα-helixtrans-66.6-51.2175.11740000110.8V21 T25 G69 C75 G76 V77V21-V73 HydrophobicContact CG1-CG1 4.44Å; T25-V73 HydrophobicContact CG2-CG2 4.16Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.86Å; V73-C75 PolarHBondContact O-N 3.32Å; V73-G76 PolarHBondContact O-N 3.32Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.45Å; V73-V77 PolarHBondContact O-N 2.75Å
74G79.5Confident70.4Confident34 Ų3449.2 Ų49.235%0.35129%0.285SS..Hα-helixtrans-60.6-48.5-177.900000112.2S70 V77 V78S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.14Å; G74-V77 PolarHBondContact O-N 3.42Å; G74-V78 VanDerWaalsContact O-CG2 3.31Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 3.31Å
75C71.3Confident70.3Confident14 Ų1456 Ų5610%0.09531%0.308CS..Hα-helixtrans-70.8-32.4176.4-68.80000112.5L71 V73 V78 L79 L94L71-C75 WeakPolarHBondContact O-CB 3.5Å; L71-C75 PolarHBondContact O-N 2.9Å; L71-C75 PolarHBondContact O-SG 3.48Å; V73-C75 PolarHBondContact O-N 3.32Å; C75-V78 PolarHBondContact O-N 2.87Å; C75-L79 VanDerWaalsContact O-CB 3.31Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 3.46Å; C75-L94 HydrophobicContact CB-CD1 3.39Å; C75-L94 HydrophobicContact CB-CD2 4.19Å; C75-L94 HydrophobicContact CB-CG 3.4Å; C75-L94 VanDerWaalsContact CB-CG 3.4Å
76G77.8Confident70.5Confident0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-59.6-46.317200000111.6E72 V73 V78 L79 T80E72-G76 WeakPolarHBondContact O-CA 3.44Å; E72-G76 PolarHBondContact O-N 2.93Å; V73-G76 PolarHBondContact O-N 3.32Å; G76-V78 PolarHBondContact O-N 3.35Å; G76-L79 PolarHBondContact O-N 2.89Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 2.82Å
77V80.3Confident70.5Confident59 Ų5949.9 Ų49.936%0.35829%0.292SS..Hα-helixtrans-59.7-44.9174171.10000111.3V21 V73 G74 L79 T80 L81V21-V77 HydrophobicContact CG2-CG2 3.79Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.45Å; V73-V77 PolarHBondContact O-N 2.75Å; G74-V77 PolarHBondContact O-N 3.42Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.88Å; V77-T80 PolarHBondContact O-N 3.44Å; V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 3.31Å
78V76.1Confident70.5Confident53 Ų5347.9 Ų47.932%0.32128%0.282SS..Hα-helixtrans-63.8-39.8176.2174.30000111.3G74 C75 G76 T80 V82 A90G74-V78 VanDerWaalsContact O-CG2 3.31Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 3.31Å; C75-V78 PolarHBondContact O-N 2.87Å; G76-V78 PolarHBondContact O-N 3.35Å; V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.3Å; V78-V82 HydrophobicContact CG1-CB 4.27Å; V78-V82 HydrophobicContact CG1-CG2 4.12Å; V78-V82 WeakPolarHBondContact O-CA 3.11Å; V78-V82 VanDerWaalsContact O-CB 3.3Å; V78-V82 WeakPolarHBondContact O-CB 3.38Å; V78-V82 PolarHBondContact O-N 3.46Å; V78-A90 HydrophobicContact CB-CB 4.42Å; V78-A90 HydrophobicContact CG1-CB 3.63Å
79L72.9Confident70.6Confident2 Ų251.2 Ų51.21%0.0130%0.304CS..Hα-helixtrans-67.8-30.8178-155.875.8000112L16 C75 G76 V77 K87 N91 L94 L125L16-L79 HydrophobicContact CB-CD2 4.36Å; C75-L79 VanDerWaalsContact O-CB 3.31Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 3.46Å; G76-L79 PolarHBondContact O-N 2.89Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.88Å; L79-K87 HydrophobicContact CD1-CG 3.92Å; L79-K87 PolarHBondContact O-NZ 2.97Å; L79-N91 HydrophobicContact CD1-CB 4.37Å; L79-L94 HydrophobicContact CB-CD1 4.42Å; L79-L94 HydrophobicContact CD1-CD1 4.4Å; L79-L94 HydrophobicContact CD2-CD1 4.32Å; L79-L125 HydrophobicContact CD2-CD2 4.06Å
80T76.2Confident70.7Confident26 Ų2651.8 Ų51.816%0.1631%0.308CS..Hα-helixtrans-79-45.2175.6-55.90000112.3F14 G17 L18 G76 V77 V78F14-T80 HydrophobicContact CD2-CG2 3.54Å; F14-T80 HydrophobicContact CE2-CG2 3.34Å; F14-T80 HydrophobicContact CG-CG2 4.35Å; F14-T80 HydrophobicContact CZ-CG2 4Å; G17-T80 VanDerWaalsContact C-OG1 3.28Å; G17-T80 WeakPolarHBondContact CA-OG1 3.43Å; L18-T80 PolarHBondContact N-OG1 2.83Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 2.82Å; V77-T80 PolarHBondContact O-N 3.44Å; V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.3Å
81L70.3Confident70.5Confident130 Ų13048.7 Ų48.768%0.68129%0.287SS*.Hα-helixtrans-89-26.1-171.6-71173.3000114.5V77 P83V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 3.31Å; L81-P83 WeakPolarHBondContact O-CD 3.47Å
82V61Low70.5Confident51 Ų5151.2 Ų51.231%0.30930%0.296SS..  trans-111102.4-172.5-170.90000110.9V78 P86 K87V78-V82 HydrophobicContact CG1-CB 4.27Å; V78-V82 HydrophobicContact CG1-CG2 4.12Å; V78-V82 WeakPolarHBondContact O-CA 3.11Å; V78-V82 VanDerWaalsContact O-CB 3.3Å; V78-V82 WeakPolarHBondContact O-CB 3.38Å; V78-V82 PolarHBondContact O-N 3.46Å; V82-P86 HydrophobicContact CG1-CG 3.66Å; V82-K87 VanDerWaalsContact O-CD 3.26Å; V82-K87 WeakPolarHBondContact O-CD 3.39Å; V82-K87 WeakPolarHBondContact O-CG 3.29Å; V82-K87 PolarHBondContact O-NZ 3.01Å
83P58.1Low70.4Confident98 Ų9854.9 Ų54.964%0.63632%0.315SS*.  trans-88.8115.5161.531.1-28.2000110.1L81L81-P83 WeakPolarHBondContact O-CD 3.47Å
84G61.3Low70.1Confident41 Ų4153.2 Ų53.242%0.42330%0.304SS..SBendtrans156.3-172.8175.700000114.4P86 K87G84-P86 VanDerWaalsContact C-CD 3.43Å; G84-K87 WeakPolarHBondContact O-CA 3.17Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 PolarHBondContact O-N 3.49Å
85R58.3Low69.7Low179 Ų17952.9 Ų52.968%0.67530%0.295SS*.THydrogen-bonded Turntrans-50-39.1177.1-64.6-76.9132.181.6-13.2115.9K87 D88 E136R85-K87 PolarHBondContact O-N 3.01Å; R85-D88 PolarHBondContact O-N 2.9Å; R85-E136 IonicContact CZ-OE2 3.11Å; R85-E136 IonicContact NE-OE2 2.67Å; R85-E136 IonicContact NH2-OE2 3.97Å; R85-E136 PolarHBondContact NH2-OE2 3.33Å
86P63.6Low69.8Low78 Ų7857.1 Ų57.151%0.50632%0.316SS..Hα-helixtrans-65.8-16.917524-34.8000113.7V82 G84 D88 V89 A90V82-P86 HydrophobicContact CG1-CG 3.66Å; G84-P86 VanDerWaalsContact C-CD 3.43Å; P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.26Å; P86-V89 PolarHBondContact O-N 3.43Å; P86-A90 PolarHBondContact O-N 3.02Å; P86-A90 VanDerWaalsContact O-N 3.14Å
87K66.1Low69.4Low9 Ų958 Ų584%0.03932%0.321CS..Hα-helixtrans-65.5-30.1177.2-156.6-176.4-170.798.70111.7L79 V82 G84 R85 A90 N91 R128L79-K87 HydrophobicContact CD1-CG 3.92Å; L79-K87 PolarHBondContact O-NZ 2.97Å; V82-K87 VanDerWaalsContact O-CD 3.26Å; V82-K87 WeakPolarHBondContact O-CD 3.39Å; V82-K87 WeakPolarHBondContact O-CG 3.29Å; V82-K87 PolarHBondContact O-NZ 3.01Å; G84-K87 WeakPolarHBondContact O-CA 3.17Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 PolarHBondContact O-N 3.49Å; R85-K87 PolarHBondContact O-N 3.01Å; K87-A90 PolarHBondContact O-N 2.67Å; K87-N91 WeakPolarHBondContact O-CB 3.06Å; K87-N91 PolarHBondContact O-N 3.07Å; K87-R128 VanDerWaalsContact CE-NH2 3.29Å
88D67.2Low69Low33 Ų3355.5 Ų55.518%0.17631%0.306CS..Hα-helixtrans-72.2-35.9179.9-63.2-47.7000112.1R85 P86 N91 F92R85-D88 PolarHBondContact O-N 2.9Å; P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.26Å; D88-N91 PolarHBondContact O-N 3.37Å; D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 2.9Å; D88-F92 PolarHBondContact O-N 2.88Å
89V71.8Confident68.6Low104 Ų10458.1 Ų58.163%0.6332%0.317SS*.Hα-helixtrans-67.5-47.2173.3-177.70000110P86 N91 F92 L93P86-V89 PolarHBondContact O-N 3.43Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 2.89Å; V89-F92 PolarHBondContact O-N 3.36Å; V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.44Å
90A69Low68.3Low13 Ų1359.2 Ų59.211%0.10733%0.327CS..Hα-helixtrans-60.5-39.8176.100000111.8V78 P86 K87 L93 L94V78-A90 HydrophobicContact CB-CB 4.42Å; V78-A90 HydrophobicContact CG1-CB 3.63Å; P86-A90 PolarHBondContact O-N 3.02Å; P86-A90 VanDerWaalsContact O-N 3.14Å; K87-A90 PolarHBondContact O-N 2.67Å; A90-L93 PolarHBondContact O-N 3.5Å; A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 3.48Å
91N72.3Confident67.8Low0 Ų058.4 Ų58.40%032%0.321CS..Hα-helixtrans-70-40.1178.6-162.274.3000111.9L79 K87 D88 V89 L94 L95 L125 L129L79-N91 HydrophobicContact CD1-CB 4.37Å; K87-N91 WeakPolarHBondContact O-CB 3.06Å; K87-N91 PolarHBondContact O-N 3.07Å; D88-N91 PolarHBondContact O-N 3.37Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 2.89Å; N91-L94 WeakPolarHBondContact O-CB 2.89Å; N91-L94 PolarHBondContact O-N 2.86Å; N91-L95 VanDerWaalsContact O-CB 3.27Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 2.91Å; N91-L125 PolarHBondContact ND2-O 3.43Å; N91-L125 VanDerWaalsContact ND2-O 3.17Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.26Å; N91-L129 HydrophobicContact CB-CD1 4.06Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 2.91Å; N91-L129 VanDerWaalsContact ND2-CD1 3.26Å; N91-L129 WeakPolarHBondContact ND2-CD1 3Å
92F73.6Confident67.6Low111 Ų11154 Ų5449%0.48730%0.299SS..Hα-helixtrans-64-42.5173.5-171.7-94.9000111.6D88 V89 L95 L96 L129D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 2.9Å; D88-F92 PolarHBondContact O-N 2.88Å; V89-F92 PolarHBondContact O-N 3.36Å; F92-L95 PolarHBondContact O-N 3.04Å; F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 PolarHBondContact O-N 3.23Å; F92-L129 HydrophobicContact CD2-CD2 4.12Å
93L73.3Confident67.8Low80 Ų8057.8 Ų57.842%0.41931%0.311SS..Hα-helixtrans-64.8-43.3175.9-148.379.5000111.4L71 V89 A90 L95 L96 V97L71-L93 HydrophobicContact CD2-CD2 4.21Å; V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.44Å; A90-L93 PolarHBondContact O-N 3.5Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.08Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.49Å
94L72.2Confident67.9Low2 Ų253.9 Ų53.91%0.0128%0.284CS..Hα-helixtrans-57.6-46.1172.7-107.8153.5000111.9F20 C75 L79 A90 N91 V97 M98 L125F20-L94 HydrophobicContact CD1-CD2 3.54Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 HydrophobicContact CE1-CD2 3.33Å; F20-L94 HydrophobicContact CE2-CD2 4.26Å; F20-L94 HydrophobicContact CG-CD2 4.08Å; F20-L94 HydrophobicContact CZ-CD2 3.72Å; C75-L94 HydrophobicContact CB-CD1 3.39Å; C75-L94 HydrophobicContact CB-CD2 4.19Å; C75-L94 HydrophobicContact CB-CG 3.4Å; C75-L94 VanDerWaalsContact CB-CG 3.4Å; L79-L94 HydrophobicContact CB-CD1 4.42Å; L79-L94 HydrophobicContact CD1-CD1 4.4Å; L79-L94 HydrophobicContact CD2-CD1 4.32Å; A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 3.48Å; N91-L94 WeakPolarHBondContact O-CB 2.89Å; N91-L94 PolarHBondContact O-N 2.86Å; L94-V97 PolarHBondContact O-N 3.47Å; L94-M98 WeakPolarHBondContact O-CB 3.47Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.08Å; L94-M98 PolarHBondContact O-N 3.26Å; L94-L125 HydrophobicContact CB-CD1 4.29Å; L94-L125 HydrophobicContact CD2-CD1 4.17Å
95L72.1Confident67.8Low27 Ų2753.6 Ų53.614%0.14127%0.272CS..Hα-helixtrans-64.7-44.6179.8-157.7169.5000110.1N91 F92 L93 V97 M98 L99 T126 L129N91-L95 VanDerWaalsContact O-CB 3.27Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 2.91Å; F92-L95 PolarHBondContact O-N 3.04Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.08Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.16Å; L95-M98 PolarHBondContact O-N 3.18Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.92Å; L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.44Å; L95-L129 HydrophobicContact CD1-CB 4.34Å; L95-L129 HydrophobicContact CD1-CD2 3.89Å
96L71.6Confident67.6Low103 Ų10350.8 Ų50.854%0.53927%0.266SS..Hα-helixtrans-58.3-44.4174.6-166.492.7000111.7F92 L93 L99 A100F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 PolarHBondContact O-N 3.23Å; L93-L96 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 2.82Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.88Å
97V70.7Confident67.1Low19 Ų1950 Ų5012%0.11526%0.258CS..Hα-helixtrans-64-44.7176.8170.70000111I68 L71 E72 L93 L94 L95 L99 A100 V101I68-V97 HydrophobicContact CG2-CG1 4.17Å; L71-V97 HydrophobicContact CB-CG2 4.45Å; L71-V97 HydrophobicContact CD2-CG2 3.45Å; L71-V97 VanDerWaalsContact CD2-CG2 3.45Å; E72-V97 HydrophobicContact CG-CG1 4.49Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.49Å; L94-V97 PolarHBondContact O-N 3.47Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.16Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.22Å; V97-A100 PolarHBondContact O-N 2.88Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 WeakPolarHBondContact O-CB 3.38Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.11Å; V97-V101 PolarHBondContact O-N 2.85Å
98M71.9Confident66.3Low6 Ų651.2 Ų51.23%0.0327%0.266CS..Hα-helixtrans-64.9-38.4177.6-73.3-59.1-78.300112.6F20 L94 L95 V101 L102 A118 F121 L125F20-M98 HydrophobicContact CE1-CE 4.28Å; F20-M98 HydrophobicContact CE1-CG 3.94Å; F20-M98 HydrophobicContact CE1-SD 3.5Å; F20-M98 WeakPolarHBondContact CE1-SD 3.31Å; F20-M98 HydrophobicContact CZ-CE 3.68Å; F20-M98 HydrophobicContact CZ-CG 3.59Å; F20-M98 HydrophobicContact CZ-SD 3.42Å; F20-M98 WeakPolarHBondContact CZ-SD 3.3Å; L94-M98 WeakPolarHBondContact O-CB 3.47Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.08Å; L94-M98 PolarHBondContact O-N 3.26Å; L95-M98 PolarHBondContact O-N 3.18Å; M98-V101 PolarHBondContact O-N 3.49Å; M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.42Å; M98-L102 PolarHBondContact O-N 3.34Å; M98-A118 VanDerWaalsContact CE-CA 3.42Å; M98-A118 HydrophobicContact CE-CB 3.6Å; M98-A118 WeakPolarHBondContact CE-O 3.39Å; M98-F121 HydrophobicContact CE-CB 3.82Å; M98-L125 HydrophobicContact CG-CD1 4.1Å
99L67.9Low65.6Low109 Ų10952.7 Ų52.757%0.57129%0.289SS*.Hα-helixtrans-66.9-42.7175.7-147.576.6000110.7L95 L96 V97 L102 F103L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 2.82Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.22Å; L99-L102 PolarHBondContact O-N 2.85Å; L99-F103 WeakPolarHBondContact O-CB 2.92Å; L99-F103 PolarHBondContact O-N 3.47Å
100A66.4Low64.8Low25 Ų2549.6 Ų49.621%0.20727%0.269CS..Hα-helixtrans-61.7-46.9174.700000111.2L96 V97 L102 F103 F104L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.88Å; V97-A100 PolarHBondContact O-N 2.88Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.22Å; A100-F103 PolarHBondContact O-N 3.39Å; A100-F104 HydrophobicContact CB-CE2 4.38Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 WeakPolarHBondContact O-CG 3.03Å; A100-F104 PolarHBondContact O-N 2.88Å
101V65.7Low64.2Low8 Ų852.8 Ų52.85%0.04829%0.288CS..Hα-helixtrans-57.6-46.1174.6168.60000110.9I68 V97 M98 F104 H105I68-V101 HydrophobicContact CD1-CG2 4.22Å; I68-V101 HydrophobicContact CG1-CG2 4.5Å; I68-V101 HydrophobicContact CG2-CG2 3.48Å; I68-V101 VanDerWaalsContact CG2-CG2 3.48Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 WeakPolarHBondContact O-CB 3.38Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.11Å; V97-V101 PolarHBondContact O-N 2.85Å; M98-V101 PolarHBondContact O-N 3.49Å; V101-F104 PolarHBondContact O-N 2.85Å; V101-H105 PolarHBondContact O-N 3.49Å; V101-H105 PolarHBondContact O-ND1 2.89Å
102L66.4Low63.4Low39 Ų3957.5 Ų57.520%0.20431%0.313CS..Hα-helixtrans-66.7-39.7-179.9-168.869.4000112.2M98 L99 A100 F104 H105 Q106 L119M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.42Å; M98-L102 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 2.85Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.22Å; L102-F104 VanDerWaalsContact C-N 3.34Å; L102-H105 PolarHBondContact O-N 3.18Å; L102-Q106 PolarHBondContact O-N 3.43Å; L102-L119 HydrophobicContact CD1-CB 4.15Å; L102-L119 HydrophobicContact CD1-CD1 3.87Å; L102-L119 HydrophobicContact CD1-CG 3.64Å; L102-L119 HydrophobicContact CD2-CD1 4.39Å; L102-L119 HydrophobicContact CD2-CD2 4.2Å; L102-L119 HydrophobicContact CD2-CG 3.76Å; L102-L119 HydrophobicContact CG-CG 4.35Å
103F65Low62.6Low129 Ų12961.5 Ų61.557%0.56633%0.33SS*.Hα-helixtrans-64.7-38177.9-165.2-102.9000112L99 A100 Q106 L107L99-F103 WeakPolarHBondContact O-CB 2.92Å; L99-F103 PolarHBondContact O-N 3.47Å; A100-F103 PolarHBondContact O-N 3.39Å; F103-Q106 PolarHBondContact O-N 2.97Å; F103-L107 HydrophobicContact CD1-CD1 3.55Å; F103-L107 HydrophobicContact CD1-CG 4.34Å; F103-L107 HydrophobicContact CE1-CD1 3.45Å; F103-L107 VanDerWaalsContact CE1-CD1 3.45Å; F103-L107 HydrophobicContact CE1-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 4.33Å; F103-L107 WeakPolarHBondContact O-CB 3.13Å; F103-L107 WeakPolarHBondContact O-CG 3.27Å; F103-L107 PolarHBondContact O-N 3.01Å
104F59.6Low61.9Low17 Ų1765.5 Ų65.58%0.07534%0.34CS..Hα-helixtrans-61.6-47.5173.3-71.8-52.5000112.3A43 Y47 L64 A100 V101 L102 Q106 L107 V108A43-F104 HydrophobicContact CB-CD1 3.28Å; A43-F104 HydrophobicContact CB-CE1 3.14Å; A43-F104 HydrophobicContact CB-CG 4.37Å; A43-F104 HydrophobicContact CB-CZ 4.1Å; Y47-F104 AromaticContact CD2-CE1 3.66Å; Y47-F104 HydrophobicContact CD2-CE1 3.66Å; Y47-F104 AromaticContact CD2-CZ 3.57Å; Y47-F104 HydrophobicContact CD2-CZ 3.57Å; Y47-F104 AromaticContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE2 4.07Å; Y47-F104 AromaticContact CE2-CZ 3.12Å; Y47-F104 HydrophobicContact CE2-CZ 3.12Å; L64-F104 HydrophobicContact CD2-CE2 4.14Å; L64-F104 HydrophobicContact CD2-CZ 3.96Å; A100-F104 HydrophobicContact CB-CE2 4.38Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 WeakPolarHBondContact O-CG 3.03Å; A100-F104 PolarHBondContact O-N 2.88Å; V101-F104 PolarHBondContact O-N 2.85Å; L102-F104 VanDerWaalsContact C-N 3.34Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 2.96Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-L107 VanDerWaalsContact O-N 3.14Å; F104-V108 WeakPolarHBondContact O-CG2 3.41Å; F104-V108 PolarHBondContact O-N 3.28Å
105H58.9Low61.5Low34 Ų3466.8 Ų66.816%0.15734%0.344CS..Hα-helixtrans-64.2-37.4178.7-7294.6000112.7E39 V101 L102 V108 G109 Y115E39-H105 IonicContact OE1-CD2 3.68Å; V101-H105 PolarHBondContact O-N 3.49Å; V101-H105 PolarHBondContact O-ND1 2.89Å; L102-H105 PolarHBondContact O-N 3.18Å; H105-V108 PolarHBondContact O-N 2.9Å; H105-G109 PolarHBondContact O-N 2.77Å; H105-Y115 HydrophobicContact CB-CD2 3.99Å; H105-Y115 HydrophobicContact CB-CE2 4.34Å; H105-Y115 HydrophobicContact CB-CG 4.15Å; H105-Y115 AromaticContact CD2-CD1 3.57Å; H105-Y115 AromaticContact CD2-CD2 3.53Å; H105-Y115 AromaticContact CD2-CE1 3.17Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y115 AromaticContact CD2-CE2 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.31Å; H105-Y115 AromaticContact CD2-CG 3.74Å; H105-Y115 AromaticContact CD2-CZ 2.89Å; H105-Y115 PolarHBondContact CD2-OH 3.23Å; H105-Y115 VanDerWaalsContact CD2-OH 3.28Å; H105-Y115 AromaticContact CE1-CD1 3.67Å; H105-Y115 AromaticContact CE1-CE1 3.44Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.44Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y115 AromaticContact CE1-CZ 3.97Å; H105-Y115 AromaticContact CG-CD1 3.72Å; H105-Y115 AromaticContact CG-CD2 3.73Å; H105-Y115 AromaticContact CG-CE1 3.81Å; H105-Y115 AromaticContact CG-CE2 3.81Å; H105-Y115 AromaticContact CG-CG 3.68Å; H105-Y115 AromaticContact CG-CZ 3.83Å; H105-Y115 AromaticContact ND1-CD1 3.79Å; H105-Y115 AromaticContact ND1-CE1 3.96Å; H105-Y115 AromaticContact NE2-CD1 3.52Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.48Å; H105-Y115 AromaticContact NE2-CE2 3.77Å; H105-Y115 AromaticContact NE2-CZ 3Å; H105-Y115 PolarHBondContact NE2-OH 3.28Å
106Q53.7Low61.3Low120 Ų12067.7 Ų67.756%0.56136%0.356SS*.Hα-helixtrans-63.8-39.8173.1-89.4-70.111.400112.7L102 F103 F104 V108 G109L102-Q106 PolarHBondContact O-N 3.43Å; F103-Q106 PolarHBondContact O-N 2.97Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 2.96Å; Q106-V108 PolarHBondContact O-N 3.05Å; Q106-G109 PolarHBondContact O-N 2.61Å
107L54.9Low61.1Low63 Ų6366.1 Ų66.133%0.3335%0.345SS..Hα-helixtrans-68.2-21.4178.7-82.2167.7000113.7R42 F103 F104R42-L107 PolarHBondContact NH1-O 3.43Å; F103-L107 HydrophobicContact CD1-CD1 3.55Å; F103-L107 HydrophobicContact CD1-CG 4.34Å; F103-L107 HydrophobicContact CE1-CD1 3.45Å; F103-L107 VanDerWaalsContact CE1-CD1 3.45Å; F103-L107 HydrophobicContact CE1-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 4.33Å; F103-L107 WeakPolarHBondContact O-CB 3.13Å; F103-L107 WeakPolarHBondContact O-CG 3.27Å; F103-L107 PolarHBondContact O-N 3.01Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-L107 VanDerWaalsContact O-N 3.14Å
108V48.7Very low61Low34 Ų3465.7 Ų65.721%0.20634%0.344CS..Hα-helixtrans-104.8-13.5-176.5178.40000112.2E39 R42 F104 H105 Q106 D110E39-V108 HydrophobicContact CB-CG1 4.32Å; E39-V108 HydrophobicContact CB-CG2 3.99Å; E39-V108 HydrophobicContact CG-CB 3.97Å; E39-V108 HydrophobicContact CG-CG1 3.54Å; E39-V108 HydrophobicContact CG-CG2 3.92Å; E39-V108 WeakPolarHBondContact OE1-CB 3.33Å; E39-V108 WeakPolarHBondContact OE1-CG1 3.49Å; E39-V108 VanDerWaalsContact OE2-CG2 3.31Å; E39-V108 WeakPolarHBondContact OE2-CG2 3.42Å; R42-V108 HydrophobicContact CB-CG2 4.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.41Å; F104-V108 PolarHBondContact O-N 3.28Å; H105-V108 PolarHBondContact O-N 2.9Å; Q106-V108 PolarHBondContact O-N 3.05Å; V108-D110 VanDerWaalsContact C-N 3.32Å
109G53Low60.9Low64 Ų6468.3 Ų68.366%0.6636%0.358SS*.THydrogen-bonded Turntrans77.123.616900000112.9H105 Q106H105-G109 PolarHBondContact O-N 2.77Å; Q106-G109 PolarHBondContact O-N 2.61Å
110D54.6Low61.3Low39 Ų3966.9 Ų66.921%0.20935%0.353CS..  trans-68.9143.8175.9-1428.9000108.6V108 L112 Y115V108-D110 VanDerWaalsContact C-N 3.32Å; D110-L112 PolarHBondContact O-N 3.38Å; D110-L112 VanDerWaalsContact O-N 3.14Å; D110-Y115 HydrophobicContact CB-CD2 4.48Å; D110-Y115 HydrophobicContact CB-CE2 3.71Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.37Å; D110-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D110-Y115 PolarHBondContact OD2-OH 2.85Å
111P56.4Low61.8Low79 Ų7966.4 Ų66.451%0.51335%0.347SS..  trans-64.1123-168.622.3-27.9000110.4K113 R114P111-K113 PolarHBondContact O-N 3.4Å; P111-R114 PolarHBondContact O-N 2.96Å
112L55.2Low62.3Low100 Ų10066.7 Ų66.752%0.52435%0.352SS..G310 helixtrans-46.3-28.7-178.3-76165.2000113.6D110 R114 Y115 A116 L119D110-L112 PolarHBondContact O-N 3.38Å; D110-L112 VanDerWaalsContact O-N 3.14Å; L112-R114 PolarHBondContact O-N 3.39Å; L112-Y115 CarbonylContact O-C 3.42Å; L112-Y115 PolarHBondContact O-N 2.89Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; L112-A116 PolarHBondContact O-N 3.47Å; L112-L119 HydrophobicContact CD2-CD1 4.44Å
113K56.9Low62.9Low195 Ų19569.3 Ų69.385%0.84837%0.365SS*.G310 helixtrans-57.2-30.8176.9-65.4-173.3176.4-1730113.5P111P111-K113 PolarHBondContact O-N 3.4Å
114R58.7Low63.7Low164 Ų16466.1 Ų66.162%0.61935%0.353SS*.G310 helixtrans-81.9-21.1-178.5-150170.9-173169.50.3113P111 L112P111-R114 PolarHBondContact O-N 2.96Å; L112-R114 PolarHBondContact O-N 3.39Å
115Y63.9Low64.5Low28 Ų2865.3 Ų65.311%0.1135%0.35CS..THydrogen-bonded Turntrans-115.33.6-178.6-54.9-72.1000113.7H105 D110 L112 H117 A118 L119H105-Y115 HydrophobicContact CB-CD2 3.99Å; H105-Y115 HydrophobicContact CB-CE2 4.34Å; H105-Y115 HydrophobicContact CB-CG 4.15Å; H105-Y115 AromaticContact CD2-CD1 3.57Å; H105-Y115 AromaticContact CD2-CD2 3.53Å; H105-Y115 AromaticContact CD2-CE1 3.17Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y115 AromaticContact CD2-CE2 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.31Å; H105-Y115 AromaticContact CD2-CG 3.74Å; H105-Y115 AromaticContact CD2-CZ 2.89Å; H105-Y115 PolarHBondContact CD2-OH 3.23Å; H105-Y115 VanDerWaalsContact CD2-OH 3.28Å; H105-Y115 AromaticContact CE1-CD1 3.67Å; H105-Y115 AromaticContact CE1-CE1 3.44Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.44Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y115 AromaticContact CE1-CZ 3.97Å; H105-Y115 AromaticContact CG-CD1 3.72Å; H105-Y115 AromaticContact CG-CD2 3.73Å; H105-Y115 AromaticContact CG-CE1 3.81Å; H105-Y115 AromaticContact CG-CE2 3.81Å; H105-Y115 AromaticContact CG-CG 3.68Å; H105-Y115 AromaticContact CG-CZ 3.83Å; H105-Y115 AromaticContact ND1-CD1 3.79Å; H105-Y115 AromaticContact ND1-CE1 3.96Å; H105-Y115 AromaticContact NE2-CD1 3.52Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.48Å; H105-Y115 AromaticContact NE2-CE2 3.77Å; H105-Y115 AromaticContact NE2-CZ 3Å; H105-Y115 PolarHBondContact NE2-OH 3.28Å; D110-Y115 HydrophobicContact CB-CD2 4.48Å; D110-Y115 HydrophobicContact CB-CE2 3.71Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.37Å; D110-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D110-Y115 PolarHBondContact OD2-OH 2.85Å; L112-Y115 CarbonylContact O-C 3.42Å; L112-Y115 PolarHBondContact O-N 2.89Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; Y115-H117 PolarHBondContact O-N 3.41Å; Y115-H117 VanDerWaalsContact O-N 3.08Å; Y115-A118 WeakPolarHBondContact O-CA 3.27Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 3.47Å; Y115-L119 PolarHBondContact O-N 2.98Å
116A66.3Low65.4Low46 Ų4666 Ų6638%0.3836%0.356SS..Hα-helixtrans-48.6-38.4173.300000111.2L112 A118 L119 V120L112-A116 PolarHBondContact O-N 3.47Å; A116-A118 PolarHBondContact O-N 3.13Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.21Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.17Å
117H68.2Low66.4Low70 Ų7063.1 Ų63.132%0.32435%0.349SS..Hα-helixtrans-63.2-42.5177.7-158.37.5000113.7F19 Y115 L119 F121F19-H117 AromaticContact CE1-CD2 3.73Å; F19-H117 AromaticContact CE1-CE1 3.47Å; F19-H117 VanDerWaalsContact CE1-CE1 3.47Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.23Å; F19-H117 AromaticContact CE1-NE2 2.89Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.43Å; F19-H117 AromaticContact CZ-CD2 4Å; F19-H117 AromaticContact CZ-CE1 3.56Å; F19-H117 AromaticContact CZ-NE2 2.9Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.28Å; Y115-H117 PolarHBondContact O-N 3.41Å; Y115-H117 VanDerWaalsContact O-N 3.08Å; H117-L119 VanDerWaalsContact C-N 3.31Å; H117-F121 AromaticContact CD2-CE2 3.91Å; H117-F121 AromaticContact CE1-CD2 3.83Å; H117-F121 AromaticContact CE1-CE2 2.91Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.44Å; H117-F121 AromaticContact CE1-CZ 3.06Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F121 AromaticContact CG-CE2 3.67Å; H117-F121 AromaticContact ND1-CD2 3.44Å; H117-F121 WeakPolarHBondContact ND1-CD2 3.08Å; H117-F121 AromaticContact ND1-CE2 3Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.26Å; H117-F121 AromaticContact ND1-CZ 3.56Å; H117-F121 AromaticContact NE2-CE2 3.49Å; H117-F121 WeakPolarHBondContact NE2-CE2 3.37Å; H117-F121 AromaticContact NE2-CZ 3.81Å; H117-F121 WeakPolarHBondContact O-CD2 3.34Å; H117-F121 WeakPolarHBondContact O-CG 3.4Å; H117-F121 PolarHBondContact O-N 2.94Å
118A68.2Low67.4Low11 Ų1161.4 Ų61.49%0.09134%0.338CS..Hα-helixtrans-67.3-36.1176.400000111.3M98 Y115 A116 F121 G122M98-A118 VanDerWaalsContact CE-CA 3.42Å; M98-A118 HydrophobicContact CE-CB 3.6Å; M98-A118 WeakPolarHBondContact CE-O 3.39Å; Y115-A118 WeakPolarHBondContact O-CA 3.27Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 3.47Å; A116-A118 PolarHBondContact O-N 3.13Å; A118-F121 PolarHBondContact O-N 3.29Å; A118-G122 PolarHBondContact O-N 2.8Å
119L71.3Confident68.6Low60 Ų6060.7 Ų60.731%0.31433%0.333SS..Hα-helixtrans-64.6-49.4176.9-133.5164000111.5L102 L112 Y115 A116 H117 F121 G122 I123L102-L119 HydrophobicContact CD1-CB 4.15Å; L102-L119 HydrophobicContact CD1-CD1 3.87Å; L102-L119 HydrophobicContact CD1-CG 3.64Å; L102-L119 HydrophobicContact CD2-CD1 4.39Å; L102-L119 HydrophobicContact CD2-CD2 4.2Å; L102-L119 HydrophobicContact CD2-CG 3.76Å; L102-L119 HydrophobicContact CG-CG 4.35Å; L112-L119 HydrophobicContact CD2-CD1 4.44Å; Y115-L119 PolarHBondContact O-N 2.98Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.21Å; H117-L119 VanDerWaalsContact C-N 3.31Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.36Å; L119-G122 PolarHBondContact O-N 3.42Å; L119-I123 HydrophobicContact CD2-CD1 3.77Å; L119-I123 HydrophobicContact CD2-CG1 4.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.68Å
120V76.5Confident69.6Low79 Ų7962.4 Ų62.448%0.47933%0.326SS..Hα-helixtrans-58.1-43.2175.4172.50000110.4A116 I123 L124A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.17Å; V120-I123 PolarHBondContact O-N 3.41Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.24Å; V120-L124 PolarHBondContact O-N 2.9Å
121F75.4Confident70.4Confident16 Ų1663.9 Ų63.97%0.0733%0.333CS..Hα-helixtrans-67-40.5176.3-78.3-46.1000114.4L16 F19 F20 M98 H117 A118 L119 I123 L124 L125L16-F121 HydrophobicContact CD2-CD1 3.44Å; L16-F121 VanDerWaalsContact CD2-CD1 3.44Å; L16-F121 HydrophobicContact CD2-CE1 3.47Å; L16-F121 VanDerWaalsContact CD2-CE1 3.47Å; F19-F121 HydrophobicContact CB-CE1 4.41Å; F19-F121 HydrophobicContact CB-CZ 4.02Å; F19-F121 HydrophobicContact CD1-CD2 4.46Å; F19-F121 HydrophobicContact CD1-CE1 4.09Å; F19-F121 AromaticContact CD1-CE2 3.2Å; F19-F121 HydrophobicContact CD1-CE2 3.2Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.09Å; F19-F121 AromaticContact CE1-CE2 3.36Å; F19-F121 HydrophobicContact CE1-CE2 3.36Å; F19-F121 AromaticContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE2-CZ 4.36Å; F19-F121 HydrophobicContact CG-CE1 4.19Å; F19-F121 HydrophobicContact CG-CE2 4.09Å; F19-F121 AromaticContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CG-CZ 3.4Å; F19-F121 VanDerWaalsContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CZ-CE2 4.34Å; F19-F121 HydrophobicContact CZ-CZ 4.05Å; F20-F121 HydrophobicContact CE2-CB 3.85Å; F20-F121 HydrophobicContact CE2-CD1 4.33Å; F20-F121 HydrophobicContact CE2-CD2 4.41Å; F20-F121 AromaticContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CZ-CB 4.19Å; M98-F121 HydrophobicContact CE-CB 3.82Å; H117-F121 AromaticContact CD2-CE2 3.91Å; H117-F121 AromaticContact CE1-CD2 3.83Å; H117-F121 AromaticContact CE1-CE2 2.91Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.44Å; H117-F121 AromaticContact CE1-CZ 3.06Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F121 AromaticContact CG-CE2 3.67Å; H117-F121 AromaticContact ND1-CD2 3.44Å; H117-F121 WeakPolarHBondContact ND1-CD2 3.08Å; H117-F121 AromaticContact ND1-CE2 3Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.26Å; H117-F121 AromaticContact ND1-CZ 3.56Å; H117-F121 AromaticContact NE2-CE2 3.49Å; H117-F121 WeakPolarHBondContact NE2-CE2 3.37Å; H117-F121 AromaticContact NE2-CZ 3.81Å; H117-F121 WeakPolarHBondContact O-CD2 3.34Å; H117-F121 WeakPolarHBondContact O-CG 3.4Å; H117-F121 PolarHBondContact O-N 2.94Å; A118-F121 PolarHBondContact O-N 3.29Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.36Å; F121-I123 VanDerWaalsContact C-N 3.28Å; F121-I123 PolarHBondContact O-N 2.86Å; F121-L124 HydrophobicContact CD1-CD1 4.31Å; F121-L124 PolarHBondContact O-N 3.44Å; F121-L125 WeakPolarHBondContact O-CB 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 2.96Å
122G76.9Confident71Confident14 Ų1461 Ų6114%0.14432%0.317CS..Hα-helixtrans-59.1-41.9174.800000111.6A118 L119 T126A118-G122 PolarHBondContact O-N 2.8Å; L119-G122 PolarHBondContact O-N 3.42Å; G122-T126 WeakPolarHBondContact O-CB 3.4Å; G122-T126 PolarHBondContact O-N 3.38Å; G122-T126 PolarHBondContact O-OG1 2.99Å
123I79.1Confident71.5Confident93 Ų9362.6 Ų62.648%0.47732%0.315SS..Hα-helixtrans-65.6-47.5175.9-65166.4000110.7L119 V120 F121 L125 T126 C127L119-I123 HydrophobicContact CD2-CD1 3.77Å; L119-I123 HydrophobicContact CD2-CG1 4.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.68Å; V120-I123 PolarHBondContact O-N 3.41Å; F121-I123 VanDerWaalsContact C-N 3.28Å; F121-I123 PolarHBondContact O-N 2.86Å; I123-L125 PolarHBondContact O-N 2.86Å; I123-T126 WeakPolarHBondContact O-CB 3.35Å; I123-T126 PolarHBondContact O-N 2.9Å; I123-T126 VanDerWaalsContact O-N 3.13Å; I123-C127 PolarHBondContact O-N 3.46Å; I123-C127 PolarHBondContact O-SG 2.82Å; I123-C127 VanDerWaalsContact O-SG 3.36Å
124L80.8Confident71.9Confident63 Ų6358.5 Ų58.533%0.3330%0.3SS..Hα-helixtrans-61.1-41.4179.1-71170.2000112.5L16 V120 F121 T126 C127 R128L16-L124 HydrophobicContact CD1-CB 4.29Å; L16-L124 HydrophobicContact CD2-CB 4.37Å; L16-L124 HydrophobicContact CD2-CD1 4.04Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.24Å; V120-L124 PolarHBondContact O-N 2.9Å; F121-L124 HydrophobicContact CD1-CD1 4.31Å; F121-L124 PolarHBondContact O-N 3.44Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-C127 PolarHBondContact O-N 2.91Å; L124-R128 WeakPolarHBondContact O-CB 3.34Å; L124-R128 PolarHBondContact O-N 3.28Å
125L76.4Confident71.8Confident0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-64.3-39.2174.1-75.2165.8000111.9F20 L79 N91 L94 M98 F121 I123 R128 L129F20-L125 HydrophobicContact CE2-CD1 3.74Å; F20-L125 HydrophobicContact CZ-CD1 3.7Å; L79-L125 HydrophobicContact CD2-CD2 4.06Å; N91-L125 PolarHBondContact ND2-O 3.43Å; N91-L125 VanDerWaalsContact ND2-O 3.17Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.26Å; L94-L125 HydrophobicContact CB-CD1 4.29Å; L94-L125 HydrophobicContact CD2-CD1 4.17Å; M98-L125 HydrophobicContact CG-CD1 4.1Å; F121-L125 WeakPolarHBondContact O-CB 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 2.96Å; I123-L125 PolarHBondContact O-N 2.86Å; L125-R128 PolarHBondContact O-N 3.5Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 PolarHBondContact O-N 2.9Å
126T79.2Confident71.5Confident48 Ų4857.8 Ų57.829%0.29431%0.311SS..Hα-helixtrans-66.2-47.1176.4-55.60000111L95 G122 I123 L124 R128 L129 L130L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.44Å; G122-T126 WeakPolarHBondContact O-CB 3.4Å; G122-T126 PolarHBondContact O-N 3.38Å; G122-T126 PolarHBondContact O-OG1 2.99Å; I123-T126 WeakPolarHBondContact O-CB 3.35Å; I123-T126 PolarHBondContact O-N 2.9Å; I123-T126 VanDerWaalsContact O-N 3.13Å; L124-T126 VanDerWaalsContact C-N 3.34Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.21Å; T126-L129 PolarHBondContact O-N 3.07Å; T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.37Å; T126-L130 WeakPolarHBondContact O-CB 3.16Å; T126-L130 WeakPolarHBondContact O-CG 3.48Å; T126-L130 PolarHBondContact O-N 2.75Å
127C74.8Confident70.7Confident59 Ų5961.7 Ų61.740%0.39933%0.326SS..Hα-helixtrans-56.6-45.9173.8-71.80000110.6I123 L124 L129 L130 I131I123-C127 PolarHBondContact O-N 3.46Å; I123-C127 PolarHBondContact O-SG 2.82Å; I123-C127 VanDerWaalsContact O-SG 3.36Å; L124-C127 PolarHBondContact O-N 2.91Å; C127-L129 PolarHBondContact O-N 3.4Å; C127-L130 PolarHBondContact O-N 2.96Å; C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.43Å; C127-I131 WeakPolarHBondContact O-CG1 3.17Å; C127-I131 PolarHBondContact O-N 2.99Å
128R74.6Confident69.8Low28 Ų2860.9 Ų60.911%0.10632%0.32CS..Hα-helixtrans-64.5-39.1178.5-161.8-93-175.4-151.3-13.2112.5I9 S13 K87 L124 L125 T126 A132I9-R128 HydrophobicContact CG2-CG 3.97Å; S13-R128 VanDerWaalsContact OG-CZ 3.25Å; S13-R128 PolarHBondContact OG-NE 3.39Å; S13-R128 PolarHBondContact OG-NH2 3.35Å; K87-R128 VanDerWaalsContact CE-NH2 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.34Å; L124-R128 PolarHBondContact O-N 3.28Å; L125-R128 PolarHBondContact O-N 3.5Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.21Å; R128-A132 WeakPolarHBondContact O-CB 3.27Å; R128-A132 PolarHBondContact O-N 2.84Å
129L74.1Confident68.9Low19 Ų1964.7 Ų64.710%0.09934%0.343CS..Hα-helixtrans-65.2-46.6174.8-165.180.7000111.2N91 F92 L95 L125 T126 C127 I131 A132 R133N91-L129 HydrophobicContact CB-CD1 4.06Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 2.91Å; N91-L129 VanDerWaalsContact ND2-CD1 3.26Å; N91-L129 WeakPolarHBondContact ND2-CD1 3Å; F92-L129 HydrophobicContact CD2-CD2 4.12Å; L95-L129 HydrophobicContact CD1-CB 4.34Å; L95-L129 HydrophobicContact CD1-CD2 3.89Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 PolarHBondContact O-N 2.9Å; T126-L129 PolarHBondContact O-N 3.07Å; C127-L129 PolarHBondContact O-N 3.4Å; L129-I131 VanDerWaalsContact C-N 3.31Å; L129-I131 PolarHBondContact O-N 3.26Å; L129-A132 PolarHBondContact O-N 3.27Å; L129-R133 WeakPolarHBondContact O-CG 3.24Å; L129-R133 PolarHBondContact O-N 3.39Å
130L74Confident67.8Low100 Ų10069.1 Ų69.152%0.52436%0.363SS..Hα-helixtrans-61.9-41.6178.9-75.5176.8000110.8T126 C127 R133 Q134T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.37Å; T126-L130 WeakPolarHBondContact O-CB 3.16Å; T126-L130 WeakPolarHBondContact O-CG 3.48Å; T126-L130 PolarHBondContact O-N 2.75Å; C127-L130 PolarHBondContact O-N 2.96Å; L130-R133 PolarHBondContact O-N 3.38Å; L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 VanDerWaalsContact O-CG 3.27Å; L130-Q134 WeakPolarHBondContact O-CG 3.48Å; L130-Q134 PolarHBondContact O-N 3.42Å
131I72.5Confident66.4Low69 Ų6974.6 Ų74.635%0.35438%0.375SS..Hα-helixtrans-65.3-42175.6-64.9161.2000110.7I9 C127 L129 Q134 S135I9-I131 HydrophobicContact CD1-CG2 3.42Å; I9-I131 VanDerWaalsContact CD1-CG2 3.42Å; I9-I131 HydrophobicContact CG1-CG2 4.28Å; C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.43Å; C127-I131 WeakPolarHBondContact O-CG1 3.17Å; C127-I131 PolarHBondContact O-N 2.99Å; L129-I131 VanDerWaalsContact C-N 3.31Å; L129-I131 PolarHBondContact O-N 3.26Å; I131-Q134 PolarHBondContact O-N 3.48Å; I131-S135 WeakPolarHBondContact O-CB 3.37Å; I131-S135 PolarHBondContact O-N 3.41Å; I131-S135 PolarHBondContact O-OG 2.99Å
132A67.8Low65.1Low20 Ų2075.7 Ų75.717%0.16538%0.38CS..Hα-helixtrans-62.8-41.6176.800000112.5R128 L129 S135 E136R128-A132 WeakPolarHBondContact O-CB 3.27Å; R128-A132 PolarHBondContact O-N 2.84Å; L129-A132 PolarHBondContact O-N 3.27Å; A132-S135 VanDerWaalsContact C-OG 3.31Å; A132-S135 WeakPolarHBondContact CA-OG 3.46Å; A132-S135 PolarHBondContact O-OG 2.73Å; A132-E136 PolarHBondContact O-N 3.02Å
133R66.9Low63.9Low132 Ų13281 Ų8150%0.49840%0.401SS..Hα-helixtrans-68.2-44.6174.3-70.3-62.9-174.998.4-0.7111.9L129 L130 S135 E136 D137L129-R133 WeakPolarHBondContact O-CG 3.24Å; L129-R133 PolarHBondContact O-N 3.39Å; L130-R133 PolarHBondContact O-N 3.38Å; R133-S135 VanDerWaalsContact C-N 3.31Å; R133-S135 PolarHBondContact O-N 2.88Å; R133-E136 WeakPolarHBondContact O-CB 2.88Å; R133-E136 PolarHBondContact O-N 3.25Å; R133-D137 PolarHBondContact O-N 2.77Å
134Q64.4Low62.5Low110 Ų11079.6 Ų79.651%0.51440%0.399SS..Hα-helixtrans-60.4-41175.7-79.6-170.2-34.600111.3L130 I131 E136 D137 R138L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 VanDerWaalsContact O-CG 3.27Å; L130-Q134 WeakPolarHBondContact O-CG 3.48Å; L130-Q134 PolarHBondContact O-N 3.42Å; I131-Q134 PolarHBondContact O-N 3.48Å; Q134-E136 PolarHBondContact O-N 2.84Å; Q134-D137 CarbonylContact O-C 3.56Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-D137 VanDerWaalsContact O-N 3.09Å; Q134-R138 WeakPolarHBondContact O-CA 3.45Å; Q134-R138 WeakPolarHBondContact O-CB 3.19Å; Q134-R138 PolarHBondContact O-N 2.86Å
135S57.2Low61Low62 Ų6284.4 Ų84.443%0.43441%0.413SS..Hα-helixtrans-63.9-22.8176.647.80000113.9I131 A132 R133I131-S135 WeakPolarHBondContact O-CB 3.37Å; I131-S135 PolarHBondContact O-N 3.41Å; I131-S135 PolarHBondContact O-OG 2.99Å; A132-S135 VanDerWaalsContact C-OG 3.31Å; A132-S135 WeakPolarHBondContact CA-OG 3.46Å; A132-S135 PolarHBondContact O-OG 2.73Å; R133-S135 VanDerWaalsContact C-N 3.31Å; R133-S135 PolarHBondContact O-N 2.88Å
136E56.6Low59.9Low114 Ų11488.7 Ų88.753%0.53343%0.433SS..Hα-helixtrans-76.3-34.5172.7-161.7136.183.100111.4R85 A132 R133 Q134R85-E136 IonicContact CZ-OE2 3.11Å; R85-E136 IonicContact NE-OE2 2.67Å; R85-E136 IonicContact NH2-OE2 3.97Å; R85-E136 PolarHBondContact NH2-OE2 3.33Å; A132-E136 PolarHBondContact O-N 3.02Å; R133-E136 WeakPolarHBondContact O-CB 2.88Å; R133-E136 PolarHBondContact O-N 3.25Å; Q134-E136 PolarHBondContact O-N 2.84Å
137D50.7Low58.6Low129 Ų12992.1 Ų92.169%0.6945%0.446SS*.Hα-helixtrans-84.6-4.7172.9-68.9-60.8000114R133 Q134R133-D137 PolarHBondContact O-N 2.77Å; Q134-D137 CarbonylContact O-C 3.56Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-D137 VanDerWaalsContact O-N 3.09Å
138R49.2Very low57.6Low52 Ų5296 Ų9620%0.19646%0.458CS..  trans-136.953.7-166.3-175.4162.7160.4-95.85.6113.8Q134 R141 E142Q134-R138 WeakPolarHBondContact O-CA 3.45Å; Q134-R138 WeakPolarHBondContact O-CB 3.19Å; Q134-R138 PolarHBondContact O-N 2.86Å; R138-R141 HydrophobicContact CG-CB 3.78Å; R138-E142 HydrophobicContact CG-CB 3.76Å; R138-E142 VanDerWaalsContact CZ-CB 3.41Å; R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact CZ-OE2 2.84Å; R138-E142 IonicContact NH1-OE1 2.76Å; R138-E142 PolarHBondContact NH1-OE1 2.76Å; R138-E142 IonicContact NH1-OE2 3.56Å; R138-E142 PolarHBondContact NH1-OE2 3.4Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 PolarHBondContact NH2-OE1 3.42Å; R138-E142 IonicContact NH2-OE2 3.37Å
139P49.4Very low57Low91 Ų9199.2 Ų99.259%0.59148%0.476SS*.SBendtrans-64.3-35.5141.323-21.8000109.9
140E47.9Very low56.1Low154 Ų154103.4 Ų103.472%0.7250%0.499SS*.Hα-helixtrans-85.2-35.3-168.6-65.2179.8100.100116.1
141R46.5Very low55.4Low193 Ų193101.6 Ų101.673%0.72850%0.498SS*.Hα-helixtrans-87-15.7-175.3-57.5-168.3-153.5-145.75.4115.4R138 R145R138-R141 HydrophobicContact CG-CB 3.78Å; R141-R145 PolarHBondContact O-N 3.09Å
142E49Very low54.6Low39 Ų39105.6 Ų105.618%0.18252%0.516CS..Hα-helixtrans-83.4-38.8179.4-160.1145.2-137.900110.5R5 R138 R145 E146R5-E142 WeakPolarHBondContact CD-OE1 3.47Å; R5-E142 IonicContact CZ-OE1 3.52Å; R5-E142 IonicContact NE-OE1 3.55Å; R5-E142 IonicContact NH1-OE1 2.83Å; R5-E142 PolarHBondContact NH1-OE1 2.83Å; R138-E142 HydrophobicContact CG-CB 3.76Å; R138-E142 VanDerWaalsContact CZ-CB 3.41Å; R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact CZ-OE2 2.84Å; R138-E142 IonicContact NH1-OE1 2.76Å; R138-E142 PolarHBondContact NH1-OE1 2.76Å; R138-E142 IonicContact NH1-OE2 3.56Å; R138-E142 PolarHBondContact NH1-OE2 3.4Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 PolarHBondContact NH2-OE1 3.42Å; R138-E142 IonicContact NH2-OE2 3.37Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 VanDerWaalsContact O-N 3.14Å; E142-E146 PolarHBondContact O-N 3.39Å
143E50.6Low54.1Low126 Ų126110.6 Ų110.659%0.58954%0.536SS*.Hα-helixtrans-57.3-49170.3-163.3167.9-165.400110.6R145 E146 E147E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.29Å; E143-E146 PolarHBondContact O-N 3.25Å; E143-E147 VanDerWaalsContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 2.8Å
144S48.8Very low53.6Low63 Ų63109.7 Ų109.744%0.44154%0.54SS..Hα-helixtrans-59.5-34.4174-85.10000114.4H148S144-H148 WeakPolarHBondContact O-CB 3.24Å; S144-H148 PolarHBondContact O-CD2 2.96Å; S144-H148 PolarHBondContact O-N 2.67Å
145R49.8Very low53.2Low165 Ų165109.3 Ų109.362%0.62354%0.542SS*.Hα-helixtrans-80.5-32.3-178.5-160.1174.7-169.5-101.43111.9R141 E142 E143 I149R141-R145 PolarHBondContact O-N 3.09Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 VanDerWaalsContact O-N 3.14Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.29Å; R145-I149 WeakPolarHBondContact O-CD1 3.17Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.39Å; R145-I149 PolarHBondContact O-N 3.14Å
146E53.9Low53Low89 Ų89114 Ų11442%0.41656%0.555SS.*Hα-helixtrans-78.9-37.1175.6-69.3-172.7164.700111.8R5 E142 E143 H148 I149 N150R5-E146 IonicContact CZ-OE1 3.37Å; R5-E146 IonicContact NH1-OE1 2.67Å; R5-E146 PolarHBondContact NH1-OE1 3.34Å; R5-E146 IonicContact NH2-OE1 3.4Å; R5-E146 PolarHBondContact NH2-OE1 2.92Å; E142-E146 PolarHBondContact O-N 3.39Å; E143-E146 PolarHBondContact O-N 3.25Å; E146-H148 PolarHBondContact O-N 3.05Å; E146-I149 PolarHBondContact O-N 3.18Å; E146-N150 VanDerWaalsContact O-CB 3.3Å; E146-N150 WeakPolarHBondContact O-CB 3.3Å; E146-N150 PolarHBondContact O-N 3.28Å
147E52.8Low53Low120 Ų120113.3 Ų113.356%0.56156%0.558SS**Hα-helixtrans-60.7-42.5170.4-81.7-168.2131.600112E143 I149 N150 A151E143-E147 VanDerWaalsContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 2.8Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.41Å; E147-N150 PolarHBondContact O-N 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 2.81Å
148H52.5Low53Low140 Ų140115.9 Ų115.965%0.64856%0.563SS**Hα-helixtrans-64.7-35177.4-91.1-107.2000112.9S144 E146 Q152S144-H148 WeakPolarHBondContact O-CB 3.24Å; S144-H148 PolarHBondContact O-CD2 2.96Å; S144-H148 PolarHBondContact O-N 2.67Å; E146-H148 PolarHBondContact O-N 3.05Å; H148-Q152 VanDerWaalsContact O-CB 3.3Å; H148-Q152 WeakPolarHBondContact O-CB 3.3Å; H148-Q152 PolarHBondContact O-N 3.49Å
149I61.3Low53.1Low96 Ų96121.2 Ų121.249%0.49259%0.59SS.*Hα-helixtrans-73.4-41.7176.9-66.1167.1000110.1R145 E146 E147 Q152 E153R145-I149 WeakPolarHBondContact O-CD1 3.17Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.39Å; R145-I149 PolarHBondContact O-N 3.14Å; E146-I149 PolarHBondContact O-N 3.18Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.41Å; I149-Q152 PolarHBondContact O-N 3.41Å; I149-E153 PolarHBondContact O-N 3.02Å
150N56.8Low52.8Low107 Ų107124.7 Ų124.757%0.57262%0.617SS**Hα-helixtrans-72.8-36.7-178-149.94.4000112.3E146 E147 Q152 E153 N154E146-N150 VanDerWaalsContact O-CB 3.3Å; E146-N150 WeakPolarHBondContact O-CB 3.3Å; E146-N150 PolarHBondContact O-N 3.28Å; E147-N150 PolarHBondContact O-N 3.25Å; N150-Q152 VanDerWaalsContact C-N 3.34Å; N150-E153 PolarHBondContact O-N 2.97Å; N150-N154 WeakPolarHBondContact O-CB 3.35Å; N150-N154 PolarHBondContact O-N 3.24Å
151A58.5Low53.1Low63 Ų63123.3 Ų123.352%0.52161%0.612SS.*Hα-helixtrans-65.7-37172.500000111.9E147 N155E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 2.81Å; A151-N155 WeakPolarHBondContact O-CB 3.36Å; A151-N155 PolarHBondContact O-N 3.1Å; A151-N155 VanDerWaalsContact O-N 3.1Å
152Q56.3Low53.4Low153 Ų153119.6 Ų119.672%0.71561%0.605SS**Hα-helixtrans-71.2-34.9177.2-159.5-173.3-70.900112.1H148 I149 N150 K156H148-Q152 VanDerWaalsContact O-CB 3.3Å; H148-Q152 WeakPolarHBondContact O-CB 3.3Å; H148-Q152 PolarHBondContact O-N 3.49Å; I149-Q152 PolarHBondContact O-N 3.41Å; N150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-K156 PolarHBondContact O-N 3.11Å
153E57Low53.7Low125 Ų125124.1 Ų124.158%0.58463%0.629SS**Hα-helixtrans-68.5-47.2174.4-170.2174.7114.700111.6I149 N150 N155 K156 V157I149-E153 PolarHBondContact O-N 3.02Å; N150-E153 PolarHBondContact O-N 2.97Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.34Å; E153-K156 VanDerWaalsContact O-N 3.11Å; E153-V157 WeakPolarHBondContact O-CG2 3.4Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å
154N56.8Low53.9Low112 Ų112123.9 Ų123.960%0.59963%0.631SS**Hα-helixtrans-67.2-32.6-178.1-154.915.9000112.5N150 K156 V157 K158N150-N154 WeakPolarHBondContact O-CB 3.35Å; N150-N154 PolarHBondContact O-N 3.24Å; N154-K156 VanDerWaalsContact C-N 3.33Å; N154-V157 PolarHBondContact O-N 3.48Å; N154-K158 PolarHBondContact O-N 3.14Å
155N55.3Low54.2Low103 Ų103127.8 Ų127.855%0.55164%0.643SS**Hα-helixtrans-72.8-27.1175.3-14717.5000112.4A151 E153A151-N155 WeakPolarHBondContact O-CB 3.36Å; A151-N155 PolarHBondContact O-N 3.1Å; A151-N155 VanDerWaalsContact O-N 3.1Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å
156K53.8Low54.5Low161 Ų161125.3 Ų125.370%0.765%0.645SS**Hα-helixtrans-71.9-38.8173.1-114.8-164.2177.3-155.90112.5Q152 E153 N154 K158Q152-K156 PolarHBondContact O-N 3.11Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.34Å; E153-K156 VanDerWaalsContact O-N 3.11Å; N154-K156 VanDerWaalsContact C-N 3.33Å; K156-K158 VanDerWaalsContact C-N 3.32Å
157V55.5Low54.5Low99 Ų99127.9 Ų127.960%0.666%0.661SS**Hα-helixtrans-70-30.3178.9175.50000111.7E153 N154E153-V157 WeakPolarHBondContact O-CG2 3.4Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å; N154-V157 PolarHBondContact O-N 3.48Å
158K51.2Low54.7Low183 Ų183128.5 Ų128.580%0.79667%0.669SS**THydrogen-bonded Turntrans-81.3-11.9-179.6-135.3177.8-174.9-168.30114.8N154 K156N154-K158 PolarHBondContact O-N 3.14Å; K156-K158 VanDerWaalsContact C-N 3.32Å
159Q50.4Low54.8Low163 Ų163127.5 Ų127.576%0.76267%0.67SS**THydrogen-bonded Turntrans-102.33.3177.9-75.4-168.9-20.300113.6
160S45Very low54.2Low165 Ų165130.4 Ų130.4100%1.15469%0.687SS**  trans-105.80173.6-61.20000111.6

Retrieved 160 of 160 residues in 179.3 ms (Link to these results)