A0A087YFG0_POEFO Loading...

Novel acetylcholine receptor chaperone

AlphaFold DB (M4AGB8), UniProt , Accession A0A087YFG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 161 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
1M41.5Very low66.4Low245 Ų24582.5 Ų82.5100%1.20748%0.484SS*.  01270-68.6170.7-168.600106.8
2A47.3Very low67.4Low64 Ų6482.1 Ų82.153%0.52948%0.477SS..  trans-68.1132.7178.500000109I7A2-I7 HydrophobicContact CB-CD1 4.21Å; A2-I7 HydrophobicContact CB-CG1 3.97Å
3S62.7Low68Low34 Ų3475.8 Ų75.824%0.23844%0.441CS..  trans-55.5140.2178.2177.60000109.7R5 T6 I7S3-R5 PolarHBondContact O-N 3.31Å; S3-T6 WeakPolarHBondContact O-CB 3.48Å; S3-T6 PolarHBondContact O-N 3.12Å; S3-I7 PolarHBondContact O-N 3.4Å
4P69.3Low69Low97 Ų9778.6 Ų78.663%0.6345%0.445SS*.Hα-helixtrans-49.9-32.2179.3-26.632.8000113I7 T8P4-I7 PolarHBondContact O-N 3.42Å; P4-T8 WeakPolarHBondContact O-CB 3.18Å; P4-T8 PolarHBondContact O-N 2.91Å; P4-T8 PolarHBondContact O-OG1 3.22Å
5R64.9Low70Confident59 Ų5977.3 Ų77.322%0.22345%0.448CS..Hα-helixtrans-64.4-46.6175.5-55.7179.674106.74.6112S3 I7 T8 I9 E142 E146S3-R5 PolarHBondContact O-N 3.31Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 2.75Å; R5-T8 PolarHBondContact O-N 3.14Å; R5-I9 WeakPolarHBondContact O-CB 3.4Å; R5-I9 VanDerWaalsContact O-CD1 3.27Å; R5-I9 WeakPolarHBondContact O-CD1 3.22Å; R5-I9 WeakPolarHBondContact O-CG1 3.44Å; R5-I9 PolarHBondContact O-N 3.48Å; R5-E142 IonicContact CZ-OE2 3.59Å; R5-E142 IonicContact NH2-OE2 3.18Å; R5-E142 PolarHBondContact NH2-OE2 3.17Å; R5-E146 VanDerWaalsContact CD-OE2 3.26Å; R5-E146 WeakPolarHBondContact CD-OE2 3.27Å; R5-E146 WeakPolarHBondContact CG-OE2 3.35Å; R5-E146 IonicContact CZ-OE1 2.82Å; R5-E146 IonicContact CZ-OE2 3.52Å; R5-E146 IonicContact NE-OE2 2.7Å; R5-E146 IonicContact NH1-OE1 3.62Å; R5-E146 PolarHBondContact NH1-OE1 3.02Å; R5-E146 IonicContact NH1-OE2 3.51Å; R5-E146 PolarHBondContact NH1-OE2 3.05Å
6T68.3Low70.5Confident73 Ų7373.1 Ų73.145%0.44842%0.424SS..Hα-helixtrans-60.3-43.3178.1-50.10000110.8S3 I9 V10S3-T6 WeakPolarHBondContact O-CB 3.48Å; S3-T6 PolarHBondContact O-N 3.12Å; T6-I9 PolarHBondContact O-N 3.3Å; T6-V10 WeakPolarHBondContact O-CB 3.37Å; T6-V10 VanDerWaalsContact O-CG2 3.23Å; T6-V10 WeakPolarHBondContact O-CG2 3.49Å; T6-V10 PolarHBondContact O-N 3.33Å
7I74.3Confident71Confident99 Ų9968.8 Ų68.851%0.50840%0.399SS..Hα-helixtrans-62.7-45.5177.3-62.1166.7000110A2 S3 P4 R5 I9 V10 A11A2-I7 HydrophobicContact CB-CD1 4.21Å; A2-I7 HydrophobicContact CB-CG1 3.97Å; S3-I7 PolarHBondContact O-N 3.4Å; P4-I7 PolarHBondContact O-N 3.42Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 2.75Å; I7-I9 PolarHBondContact O-N 3.48Å; I7-V10 PolarHBondContact O-N 3.3Å; I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 3.16Å
8T75.8Confident71.7Confident79 Ų7970.8 Ų70.849%0.48541%0.407SS..Hα-helixtrans-62.4-43.3178.5-55.50000111.8P4 R5 A11 L12P4-T8 WeakPolarHBondContact O-CB 3.18Å; P4-T8 PolarHBondContact O-N 2.91Å; P4-T8 PolarHBondContact O-OG1 3.22Å; R5-T8 PolarHBondContact O-N 3.14Å; T8-A11 PolarHBondContact O-N 3.43Å; T8-L12 HydrophobicContact CG2-CD1 4.05Å; T8-L12 VanDerWaalsContact O-CB 3.28Å; T8-L12 WeakPolarHBondContact O-CB 3.38Å; T8-L12 PolarHBondContact O-N 3.22Å
9I72.9Confident72.3Confident25 Ų2571.2 Ų71.213%0.12840%0.404CS..Hα-helixtrans-65.9-40178.1-65.4156.4000111.3R5 T6 I7 S13 R128 I131R5-I9 WeakPolarHBondContact O-CB 3.4Å; R5-I9 VanDerWaalsContact O-CD1 3.27Å; R5-I9 WeakPolarHBondContact O-CD1 3.22Å; R5-I9 WeakPolarHBondContact O-CG1 3.44Å; R5-I9 PolarHBondContact O-N 3.48Å; T6-I9 PolarHBondContact O-N 3.3Å; I7-I9 PolarHBondContact O-N 3.48Å; I9-S13 WeakPolarHBondContact O-CB 3.1Å; I9-S13 PolarHBondContact O-N 3.36Å; I9-S13 PolarHBondContact O-OG 3.42Å; I9-R128 HydrophobicContact CG2-CG 4.08Å; I9-I131 HydrophobicContact CD1-CG2 3.4Å; I9-I131 HydrophobicContact CG1-CG2 4.1Å
10V73.1Confident72.4Confident76 Ų7667.9 Ų67.946%0.46139%0.385SS..Hα-helixtrans-66.3-46.3177.1169.90000110.3T6 I7 S13 F14T6-V10 WeakPolarHBondContact O-CB 3.37Å; T6-V10 VanDerWaalsContact O-CG2 3.23Å; T6-V10 WeakPolarHBondContact O-CG2 3.49Å; T6-V10 PolarHBondContact O-N 3.33Å; I7-V10 PolarHBondContact O-N 3.3Å; V10-S13 PolarHBondContact O-N 3.37Å; V10-F14 WeakPolarHBondContact O-CB 3.21Å; V10-F14 PolarHBondContact O-N 2.97Å
11A80.3Confident72.8Confident57 Ų5766.5 Ų66.547%0.47138%0.378SS..Hα-helixtrans-61.4-45.117600000111.9I7 T8 S13 F14 A15I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 3.16Å; T8-A11 PolarHBondContact O-N 3.43Å; A11-S13 VanDerWaalsContact C-N 3.35Å; A11-S13 PolarHBondContact O-N 3.02Å; A11-F14 PolarHBondContact O-N 2.87Å; A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 2.78Å
12L78.5Confident74.6Confident77 Ų7761.5 Ų61.540%0.40335%0.35SS..Hα-helixtrans-57-47.6172.3-95.9157000111.3T8 F14 A15 L16T8-L12 HydrophobicContact CG2-CD1 4.05Å; T8-L12 VanDerWaalsContact O-CB 3.28Å; T8-L12 WeakPolarHBondContact O-CB 3.38Å; T8-L12 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact C-N 3.3Å; L12-F14 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 2.87Å; L12-L16 HydrophobicContact CD2-CD1 4.4Å; L12-L16 VanDerWaalsContact O-CB 3.22Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 3.48Å
13S76.1Confident75.8Confident1 Ų160.9 Ų60.91%0.00734%0.336CS..Hα-helixtrans-62.5-39.5-179.5-56.50000111.8I9 V10 A11 G17 K87 R128I9-S13 WeakPolarHBondContact O-CB 3.1Å; I9-S13 PolarHBondContact O-N 3.36Å; I9-S13 PolarHBondContact O-OG 3.42Å; V10-S13 PolarHBondContact O-N 3.37Å; A11-S13 VanDerWaalsContact C-N 3.35Å; A11-S13 PolarHBondContact O-N 3.02Å; S13-G17 PolarHBondContact O-N 3.2Å; S13-K87 VanDerWaalsContact CB-CE 3.45Å; S13-R128 PolarHBondContact OG-NE 3.33Å
14F81.8Confident76.1Confident114 Ų11459.3 Ų59.350%0.533%0.325SS..Hα-helixtrans-66.8-48.7178.3-172.7-92000111.6V10 A11 L12 G17 L18 T80V10-F14 WeakPolarHBondContact O-CB 3.21Å; V10-F14 PolarHBondContact O-N 2.97Å; A11-F14 PolarHBondContact O-N 2.87Å; L12-F14 VanDerWaalsContact C-N 3.3Å; L12-F14 PolarHBondContact O-N 2.86Å; F14-G17 PolarHBondContact O-N 2.88Å; F14-L18 PolarHBondContact O-N 3.2Å; F14-T80 HydrophobicContact CD2-CG2 3.56Å; F14-T80 HydrophobicContact CE2-CG2 3.35Å; F14-T80 HydrophobicContact CG-CG2 4.37Å; F14-T80 HydrophobicContact CZ-CG2 4.03Å
15A83.2Confident76.3Confident59 Ų5957.9 Ų57.949%0.48832%0.315SS..Hα-helixtrans-61.1-46177.100000111.6A11 L12 L18 F19A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 2.78Å; L12-A15 PolarHBondContact O-N 2.87Å; A15-L18 PolarHBondContact O-N 3.29Å; A15-F19 VanDerWaalsContact O-CB 3.24Å; A15-F19 WeakPolarHBondContact O-CB 3.42Å; A15-F19 PolarHBondContact O-N 3.45Å
16L78.4Confident76.6Confident10 Ų1059.1 Ų59.15%0.05233%0.325CS..Hα-helixtrans-62.2-44.1176.6-70.5170000111.9L12 F19 F20 L79 F121 L124L12-L16 HydrophobicContact CD2-CD1 4.4Å; L12-L16 VanDerWaalsContact O-CB 3.22Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 3.48Å; L16-F19 WeakPolarHBondContact O-CB 3.12Å; L16-F19 PolarHBondContact O-N 3.14Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.34Å; L16-F20 PolarHBondContact O-N 3.14Å; L16-L79 HydrophobicContact CB-CD2 4.28Å; L16-F121 HydrophobicContact CD2-CD1 3.61Å; L16-F121 HydrophobicContact CD2-CE1 3.63Å; L16-L124 HydrophobicContact CD1-CB 4.34Å; L16-L124 HydrophobicContact CD2-CB 4.14Å; L16-L124 HydrophobicContact CD2-CD1 4Å
17G79.1Confident76.2Confident0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-61.9-45.7179.500000112.1S13 F14 F19 F20 V21 T80S13-G17 PolarHBondContact O-N 3.2Å; F14-G17 PolarHBondContact O-N 2.88Å; G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 2.87Å; G17-F20 PolarHBondContact O-N 2.82Å; G17-V21 WeakPolarHBondContact O-CG2 3.22Å; G17-V21 PolarHBondContact O-N 3.34Å; G17-T80 VanDerWaalsContact C-OG1 3.25Å; G17-T80 WeakPolarHBondContact CA-OG1 3.39Å
18L84Confident75.5Confident106 Ų10657.3 Ų57.356%0.55531%0.311SS*.Hα-helixtrans-60.7-41.8176.1-154.185.2000111.3F14 A15 V21 F22 T80F14-L18 PolarHBondContact O-N 3.2Å; A15-L18 PolarHBondContact O-N 3.29Å; L18-V21 PolarHBondContact O-N 3.16Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-T80 PolarHBondContact N-OG1 3.34Å
19F81.6Confident74.3Confident77 Ų7757.6 Ų57.634%0.33831%0.313SS..Hα-helixtrans-67-38.2179.6-161.9-78.3000112.5A15 L16 G17 F22 M23 H117 F121A15-F19 VanDerWaalsContact O-CB 3.24Å; A15-F19 WeakPolarHBondContact O-CB 3.42Å; A15-F19 PolarHBondContact O-N 3.45Å; L16-F19 WeakPolarHBondContact O-CB 3.12Å; L16-F19 PolarHBondContact O-N 3.14Å; G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 2.87Å; F19-F22 PolarHBondContact O-N 2.96Å; F19-M23 HydrophobicContact CD1-CG 4.18Å; F19-M23 HydrophobicContact CE1-CG 3.57Å; F19-M23 HydrophobicContact CZ-CG 4.34Å; F19-M23 PolarHBondContact O-N 3.37Å; F19-H117 AromaticContact CE1-CE1 3Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.22Å; F19-H117 AromaticContact CE1-ND1 3.88Å; F19-H117 AromaticContact CE1-NE2 3.47Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.27Å; F19-H117 AromaticContact CZ-CE1 3.13Å; F19-H117 WeakPolarHBondContact CZ-CE1 3.34Å; F19-H117 AromaticContact CZ-NE2 3.16Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.34Å; F19-F121 HydrophobicContact CB-CE1 4.31Å; F19-F121 HydrophobicContact CD1-CD1 4.29Å; F19-F121 HydrophobicContact CD1-CD2 4.3Å; F19-F121 AromaticContact CD1-CE1 3.41Å; F19-F121 HydrophobicContact CD1-CE1 3.41Å; F19-F121 VanDerWaalsContact CD1-CE1 3.41Å; F19-F121 AromaticContact CD1-CE2 3.5Å; F19-F121 HydrophobicContact CD1-CE2 3.5Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.21Å; F19-F121 HydrophobicContact CE1-CD2 4.11Å; F19-F121 AromaticContact CE1-CE1 3.93Å; F19-F121 HydrophobicContact CE1-CE1 3.93Å; F19-F121 AromaticContact CE1-CE2 3.13Å; F19-F121 HydrophobicContact CE1-CE2 3.13Å; F19-F121 AromaticContact CE1-CZ 3.02Å; F19-F121 HydrophobicContact CE1-CZ 3.02Å; F19-F121 HydrophobicContact CE2-CZ 4.22Å; F19-F121 AromaticContact CG-CE1 3.88Å; F19-F121 HydrophobicContact CG-CE1 3.88Å; F19-F121 AromaticContact CG-CZ 3.65Å; F19-F121 HydrophobicContact CG-CZ 3.65Å; F19-F121 AromaticContact CZ-CE2 3.91Å; F19-F121 HydrophobicContact CZ-CE2 3.91Å; F19-F121 AromaticContact CZ-CZ 3.68Å; F19-F121 HydrophobicContact CZ-CZ 3.68Å
20F75.9Confident73.2Confident5 Ų561.4 Ų61.42%0.02234%0.339CS..Hα-helixtrans-65.9-39.9173.8-102.3-85.3000112.7L16 G17 F22 M23 G24 E72 L94 M98 F121 L125L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.34Å; L16-F20 PolarHBondContact O-N 3.14Å; G17-F20 PolarHBondContact O-N 2.82Å; F20-F22 VanDerWaalsContact C-N 3.29Å; F20-F22 PolarHBondContact O-N 3.48Å; F20-M23 PolarHBondContact O-N 3.32Å; F20-G24 WeakPolarHBondContact O-CA 3.44Å; F20-G24 PolarHBondContact O-N 3.46Å; F20-E72 HydrophobicContact CD1-CB 4.05Å; F20-E72 HydrophobicContact CD1-CG 3.93Å; F20-E72 HydrophobicContact CE1-CG 4.01Å; F20-L94 HydrophobicContact CD1-CD2 3.61Å; F20-L94 HydrophobicContact CD2-CD2 4.42Å; F20-L94 HydrophobicContact CE1-CD2 3.46Å; F20-L94 VanDerWaalsContact CE1-CD2 3.46Å; F20-L94 HydrophobicContact CE2-CD2 4.29Å; F20-L94 HydrophobicContact CG-CD2 4.09Å; F20-L94 HydrophobicContact CZ-CD2 3.83Å; F20-M98 HydrophobicContact CE1-CG 3.88Å; F20-M98 HydrophobicContact CE1-SD 3.63Å; F20-M98 HydrophobicContact CZ-CG 3.71Å; F20-M98 HydrophobicContact CZ-SD 3.51Å; F20-M98 VanDerWaalsContact CZ-SD 3.51Å; F20-F121 HydrophobicContact CD2-CD1 4.39Å; F20-F121 HydrophobicContact CE2-CB 3.8Å; F20-F121 AromaticContact CE2-CD1 3.93Å; F20-F121 HydrophobicContact CE2-CD1 3.93Å; F20-F121 HydrophobicContact CE2-CG 4.03Å; F20-F121 HydrophobicContact CZ-CB 3.91Å; F20-F121 HydrophobicContact CZ-CG 4.47Å; F20-L125 HydrophobicContact CE2-CD1 3.57Å; F20-L125 HydrophobicContact CE2-CG 4.19Å; F20-L125 HydrophobicContact CZ-CD1 3.5Å
21V80.1Confident71.7Confident40 Ų4068.4 Ų68.424%0.24236%0.357CS..Hα-helixtrans-59.4-44.9172.6172.30000110G17 L18 G24 T25 V73 V77G17-V21 WeakPolarHBondContact O-CG2 3.22Å; G17-V21 PolarHBondContact O-N 3.34Å; L18-V21 PolarHBondContact O-N 3.16Å; V21-G24 PolarHBondContact O-N 2.99Å; V21-T25 VanDerWaalsContact O-CG2 3.3Å; V21-T25 WeakPolarHBondContact O-CG2 3.29Å; V21-T25 PolarHBondContact O-N 3.2Å; V21-T25 PolarHBondContact O-OG1 2.8Å; V21-V73 HydrophobicContact CG1-CG1 4.42Å; V21-V77 HydrophobicContact CG2-CG2 3.76Å
22F78.8Confident70.3Confident140 Ų14067.7 Ų67.761%0.61435%0.345SS*.Hα-helixtrans-67.4-42.7179.7-152.7-96000113L18 F19 F20 T25 I26L18-F22 PolarHBondContact O-N 3.43Å; F19-F22 PolarHBondContact O-N 2.96Å; F20-F22 VanDerWaalsContact C-N 3.29Å; F20-F22 PolarHBondContact O-N 3.48Å; F22-T25 PolarHBondContact O-OG1 3.08Å; F22-I26 HydrophobicContact CD1-CD1 3.64Å; F22-I26 HydrophobicContact CE1-CD1 3.72Å; F22-I26 VanDerWaalsContact O-CG1 3.25Å; F22-I26 WeakPolarHBondContact O-CG1 3.37Å; F22-I26 PolarHBondContact O-N 3.32Å; F22-I26 VanDerWaalsContact O-N 3.14Å
23M72.4Confident68.6Low51 Ų5168.6 Ų68.625%0.25136%0.358SS..Hα-helixtrans-72-33.2176-86.4-56.3-86.900113.2F19 F20 I26 K27F19-M23 HydrophobicContact CD1-CG 4.18Å; F19-M23 HydrophobicContact CE1-CG 3.57Å; F19-M23 HydrophobicContact CZ-CG 4.34Å; F19-M23 PolarHBondContact O-N 3.37Å; F20-M23 PolarHBondContact O-N 3.32Å; M23-I26 PolarHBondContact O-N 2.79Å; M23-I26 HydrophobicContact SD-CB 4.49Å; M23-I26 HydrophobicContact SD-CD1 4.12Å; M23-K27 WeakPolarHBondContact O-CB 3.33Å; M23-K27 WeakPolarHBondContact O-CG 3.21Å; M23-K27 PolarHBondContact O-N 3.47Å
24G69.3Low67.1Low0 Ų076.9 Ų76.90%039%0.394CS..Hα-helixtrans-65-41.817600000111.9F20 V21 K27 L28F20-G24 WeakPolarHBondContact O-CA 3.44Å; F20-G24 PolarHBondContact O-N 3.46Å; V21-G24 PolarHBondContact O-N 2.99Å; G24-K27 PolarHBondContact O-N 3.13Å; G24-L28 WeakPolarHBondContact O-CD1 3.45Å; G24-L28 PolarHBondContact O-N 3.27Å
25T73.9Confident65.6Low68 Ų6875.7 Ų75.742%0.41739%0.393SS..Hα-helixtrans-66.8-38.9174.156.20000111.9V21 F22 L28 T29 V73V21-T25 VanDerWaalsContact O-CG2 3.3Å; V21-T25 WeakPolarHBondContact O-CG2 3.29Å; V21-T25 PolarHBondContact O-N 3.2Å; V21-T25 PolarHBondContact O-OG1 2.8Å; F22-T25 PolarHBondContact O-OG1 3.08Å; T25-L28 WeakPolarHBondContact O-CB 3.44Å; T25-L28 PolarHBondContact O-N 3.42Å; T25-T29 PolarHBondContact O-OG1 3.07Å; T25-V73 HydrophobicContact CG2-CG2 4.08Å
26I70.1Confident64Low84 Ų8474.2 Ų74.243%0.43138%0.38SS..Hα-helixtrans-63.8-41.9172.7-69169.5000111.1F22 M23 L28 T29F22-I26 HydrophobicContact CD1-CD1 3.64Å; F22-I26 HydrophobicContact CE1-CD1 3.72Å; F22-I26 VanDerWaalsContact O-CG1 3.25Å; F22-I26 WeakPolarHBondContact O-CG1 3.37Å; F22-I26 PolarHBondContact O-N 3.32Å; F22-I26 VanDerWaalsContact O-N 3.14Å; M23-I26 PolarHBondContact O-N 2.79Å; M23-I26 HydrophobicContact SD-CB 4.49Å; M23-I26 HydrophobicContact SD-CD1 4.12Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 3.41Å; I26-T29 WeakPolarHBondContact O-CB 3.34Å; I26-T29 PolarHBondContact O-N 2.82Å
27K60.5Low62.4Low50 Ų5080.7 Ų80.722%0.21741%0.405CS..Hα-helixtrans-67.3-28.4177.5-85.6176.1172-179.20113.4M23 G24 T29 R65 E72M23-K27 WeakPolarHBondContact O-CB 3.33Å; M23-K27 WeakPolarHBondContact O-CG 3.21Å; M23-K27 PolarHBondContact O-N 3.47Å; G24-K27 PolarHBondContact O-N 3.13Å; K27-T29 PolarHBondContact O-N 2.84Å; K27-R65 PolarHBondContact O-NE 3.37Å; K27-E72 WeakPolarHBondContact CD-OE2 3.45Å; K27-E72 VanDerWaalsContact NZ-CD 3.29Å; K27-E72 IonicContact NZ-OE1 2.61Å; K27-E72 PolarHBondContact NZ-OE1 3.48Å; K27-E72 IonicContact NZ-OE2 3.52Å; K27-E72 PolarHBondContact NZ-OE2 2.85Å; K27-E72 VanDerWaalsContact NZ-OE2 3.09Å
28L59.3Low61Low84 Ų8483.7 Ų83.744%0.4443%0.426SS..Hα-helixtrans-63.4-23.3170.1-109.379.8000112.1G24 T25 I26G24-L28 WeakPolarHBondContact O-CD1 3.45Å; G24-L28 PolarHBondContact O-N 3.27Å; T25-L28 WeakPolarHBondContact O-CB 3.44Å; T25-L28 PolarHBondContact O-N 3.42Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 3.41Å
29T51.6Low59.4Low86 Ų8679.1 Ų79.153%0.52840%0.402SS..SBendtrans-74.9128.5179.4-56.30000110.4T25 I26 K27 R31T25-T29 PolarHBondContact O-OG1 3.07Å; I26-T29 WeakPolarHBondContact O-CB 3.34Å; I26-T29 PolarHBondContact O-N 2.82Å; K27-T29 PolarHBondContact O-N 2.84Å; T29-R31 VanDerWaalsContact C-N 3.29Å; T29-R31 PolarHBondContact O-N 2.84Å
30P49.6Very low57.9Low105 Ų10576.4 Ų76.468%0.68239%0.39SS*.  trans-83.742-15234.7-38.3000115.1L32P30-L32 PolarHBondContact O-N 3.19Å
31R41.8Very low56.6Low222 Ų22283.8 Ų83.884%0.83842%0.423SS*.  trans-85.53.3-171.6-139.5-160.9-178.6-1792.4116.6T29T29-R31 VanDerWaalsContact C-N 3.29Å; T29-R31 PolarHBondContact O-N 2.84Å
32L49.8Very low55.4Low43 Ų4389 Ų8923%0.22544%0.438CS..  trans-128.575.6176.1-75.295.8000111.2P30 A36 R65P30-L32 PolarHBondContact O-N 3.19Å; L32-A36 VanDerWaalsContact O-CB 3.29Å; L32-A36 WeakPolarHBondContact O-CB 3.3Å; L32-R65 PolarHBondContact O-NH1 3.25Å
33S44.2Very low54.2Low96 Ų9682.5 Ų82.567%0.67141%0.41SS*.SBendtrans-93-17.1-174.1114.60000114.7
34K44.3Very low53.2Low174 Ų17484 Ų8476%0.75741%0.413SS*.SBendtrans-106.6-48.5-175.8-73.1-176177.6177.50113.5A36 Y37K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; K34-Y37 WeakPolarHBondContact O-CB 3.5Å; K34-Y37 PolarHBondContact O-N 3.31Å; K34-Y37 VanDerWaalsContact O-N 3.16Å
35D49.1Very low52.5Low89 Ų8992.1 Ų92.148%0.47645%0.449SS..Hα-helixtrans-67.9-32.1178.5-57.8-62.2000112.8Y37 S38 E39D35-Y37 PolarHBondContact O-N 3.47Å; D35-S38 PolarHBondContact O-N 3.18Å; D35-S38 PolarHBondContact O-OG 3.25Å; D35-E39 WeakPolarHBondContact O-CB 3.25Å; D35-E39 VanDerWaalsContact O-CG 3.29Å; D35-E39 WeakPolarHBondContact O-CG 3.3Å; D35-E39 PolarHBondContact O-N 3.46Å; D35-E39 VanDerWaalsContact O-N 3.14Å
36A49.5Very low51.5Low28 Ų2891.7 Ų91.723%0.23145%0.448CS..Hα-helixtrans-67.1-23.2174.700000113.4L32 K34 M40L32-A36 VanDerWaalsContact O-CB 3.29Å; L32-A36 WeakPolarHBondContact O-CB 3.3Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; A36-M40 WeakPolarHBondContact O-CB 3.33Å; A36-M40 PolarHBondContact O-N 3.06Å
37Y45.3Very low50.6Low146 Ų14692.3 Ų92.357%0.57345%0.446SS*.Hα-helixtrans-79-39.3-179.3-160.7-95.8000111.6K34 D35 K41 S61K34-Y37 WeakPolarHBondContact O-CB 3.5Å; K34-Y37 PolarHBondContact O-N 3.31Å; K34-Y37 VanDerWaalsContact O-N 3.16Å; D35-Y37 PolarHBondContact O-N 3.47Å; Y37-K41 PolarHBondContact O-N 2.8Å; Y37-S61 WeakPolarHBondContact CD2-OG 3.45Å
38S50.1Low50.2Low63 Ų6391.4 Ų91.444%0.44145%0.448SS..Hα-helixtrans-71.6-41.1175.457.10000111.9D35 M40 K41 R42D35-S38 PolarHBondContact O-N 3.18Å; D35-S38 PolarHBondContact O-OG 3.25Å; S38-M40 PolarHBondContact O-N 2.8Å; S38-K41 PolarHBondContact O-N 2.95Å; S38-R42 PolarHBondContact O-N 2.82Å
39E51.3Low49.9Very low11 Ų1196.6 Ų96.65%0.05147%0.467CS..Hα-helixtrans-45.4-57.5166.8-88.7-81.944.900112.1D35 K41 R42 A43 F104 H105 V108D35-E39 WeakPolarHBondContact O-CB 3.25Å; D35-E39 VanDerWaalsContact O-CG 3.29Å; D35-E39 WeakPolarHBondContact O-CG 3.3Å; D35-E39 PolarHBondContact O-N 3.46Å; D35-E39 VanDerWaalsContact O-N 3.14Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.21Å; E39-R42 PolarHBondContact O-N 3.38Å; E39-R42 VanDerWaalsContact O-N 3.13Å; E39-A43 PolarHBondContact O-N 3.14Å; E39-F104 VanDerWaalsContact OE2-C 3.28Å; E39-H105 VanDerWaalsContact OE2-CA 3.23Å; E39-H105 WeakPolarHBondContact OE2-CA 3.35Å; E39-H105 IonicContact OE2-CD2 3.67Å; E39-H105 PolarHBondContact OE2-CD2 2.88Å; E39-H105 VanDerWaalsContact OE2-CD2 3.28Å; E39-H105 IonicContact OE2-CG 3.28Å; E39-H105 PolarHBondContact OE2-N 3.03Å; E39-H105 IonicContact OE2-NE2 3.09Å; E39-V108 HydrophobicContact CB-CG2 3.86Å; E39-V108 HydrophobicContact CG-CB 3.6Å; E39-V108 HydrophobicContact CG-CG1 3.86Å; E39-V108 HydrophobicContact CG-CG2 3.38Å; E39-V108 WeakPolarHBondContact OE1-CB 3.44Å; E39-V108 WeakPolarHBondContact OE1-CG2 3.31Å
40M48.4Very low49.8Very low19 Ų1996.1 Ų96.19%0.09447%0.472CS..Hα-helixtrans-68.2-33.5-174.4-100.3-169.259.700113.5A36 S38 R42 A43 Y44 I59 S61 L64 F104A36-M40 WeakPolarHBondContact O-CB 3.33Å; A36-M40 PolarHBondContact O-N 3.06Å; S38-M40 PolarHBondContact O-N 2.8Å; M40-R42 VanDerWaalsContact C-N 3.26Å; M40-R42 PolarHBondContact O-N 2.82Å; M40-A43 PolarHBondContact O-N 3.35Å; M40-Y44 WeakPolarHBondContact O-CB 3.14Å; M40-Y44 PolarHBondContact O-N 3.23Å; M40-I59 WeakPolarHBondContact CE-O 3.28Å; M40-S61 WeakPolarHBondContact CB-OG 3.33Å; M40-S61 VanDerWaalsContact CE-CA 3.47Å; M40-S61 WeakPolarHBondContact SD-CA 3.27Å; M40-S61 WeakPolarHBondContact SD-CB 3.06Å; M40-L64 HydrophobicContact CE-CB 3.72Å; M40-L64 HydrophobicContact CE-CD1 4.39Å; M40-L64 HydrophobicContact CE-CD2 4.04Å; M40-L64 HydrophobicContact CE-CG 4.27Å; M40-L64 HydrophobicContact CG-CD2 3.79Å; M40-L64 HydrophobicContact SD-CB 3.21Å; M40-L64 WeakPolarHBondContact SD-CB 3.31Å; M40-L64 HydrophobicContact SD-CD2 3.44Å; M40-L64 WeakPolarHBondContact SD-CD2 3.37Å; M40-L64 HydrophobicContact SD-CG 3.89Å; M40-F104 HydrophobicContact CG-CE1 4.12Å
41K50.3Low49.4Very low161 Ų16195.6 Ų95.670%0.746%0.463SS*.Hα-helixtrans-64.3-35.8175.7-156.8177.5-175.2-178.30111.3Y37 S38 E39 K45Y37-K41 PolarHBondContact O-N 2.8Å; S38-K41 PolarHBondContact O-N 2.95Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.21Å; K41-K45 PolarHBondContact O-N 2.79Å
42R54.8Low49.7Very low150 Ų15090.3 Ų90.357%0.56646%0.457SS*.Hα-helixtrans-73.2-43.6178.9-148.8177.5-170.1175.85.4111.5S38 E39 M40 K45 S46 L107S38-R42 PolarHBondContact O-N 2.82Å; E39-R42 PolarHBondContact O-N 3.38Å; E39-R42 VanDerWaalsContact O-N 3.13Å; M40-R42 VanDerWaalsContact C-N 3.26Å; M40-R42 PolarHBondContact O-N 2.82Å; R42-K45 WeakPolarHBondContact O-CB 3.3Å; R42-K45 PolarHBondContact O-N 3.2Å; R42-S46 PolarHBondContact O-N 3.09Å; R42-L107 WeakPolarHBondContact CD-O 3.38Å; R42-L107 PolarHBondContact NH1-O 2.87Å
43A51.8Low49.5Very low2 Ų290.6 Ų90.62%0.01747%0.471CS..Hα-helixtrans-72.7-31.5176.700000113.8E39 M40 K45 S46 Y47 F104E39-A43 PolarHBondContact O-N 3.14Å; M40-A43 PolarHBondContact O-N 3.35Å; A43-K45 PolarHBondContact O-N 2.82Å; A43-S46 PolarHBondContact O-N 2.64Å; A43-S46 VanDerWaalsContact O-N 3.08Å; A43-Y47 WeakPolarHBondContact O-CB 3.45Å; A43-Y47 PolarHBondContact O-N 3.17Å; A43-F104 HydrophobicContact CB-CD1 3.15Å; A43-F104 HydrophobicContact CB-CD2 4.13Å; A43-F104 HydrophobicContact CB-CE1 2.91Å; A43-F104 HydrophobicContact CB-CE2 3.99Å; A43-F104 HydrophobicContact CB-CG 3.82Å; A43-F104 HydrophobicContact CB-CZ 3.39Å
44Y52.2Low49.6Very low83 Ų8389 Ų8933%0.32545%0.454SS..Hα-helixtrans-58.9-35.6170.3-163.9-93.1000111.1M40 A48 L54 K55M40-Y44 WeakPolarHBondContact O-CB 3.14Å; M40-Y44 PolarHBondContact O-N 3.23Å; Y44-A48 WeakPolarHBondContact O-CB 3.26Å; Y44-A48 PolarHBondContact O-N 3.18Å; Y44-L54 PolarHBondContact OH-O 3.06Å; Y44-K55 PolarHBondContact OH-O 3.28Å
45K53.9Low49.6Very low171 Ų17187.9 Ų87.974%0.74345%0.449SS*.Hα-helixtrans-68.5-33.7175.9-149.8178-172.8-176.40112.5K41 R42 A43K41-K45 PolarHBondContact O-N 2.79Å; R42-K45 WeakPolarHBondContact O-CB 3.3Å; R42-K45 PolarHBondContact O-N 3.2Å; A43-K45 PolarHBondContact O-N 2.82Å
46S53.8Low49.4Very low59 Ų5993.2 Ų93.241%0.41347%0.468SS..Hα-helixtrans-77.6-42.2175.7-146.60000111.8R42 A43 K49 A50R42-S46 PolarHBondContact O-N 3.09Å; A43-S46 PolarHBondContact O-N 2.64Å; A43-S46 VanDerWaalsContact O-N 3.08Å; S46-K49 WeakPolarHBondContact O-CB 3.05Å; S46-K49 PolarHBondContact O-N 3.03Å; S46-A50 PolarHBondContact O-N 3.48Å
47Y51.9Low49.4Very low96 Ų9697.2 Ų97.238%0.37648%0.484SS..Hα-helixtrans-65.5-43.1175.1-100.8-76.6000113.2A43 K49 A50 L51 L54 F104A43-Y47 WeakPolarHBondContact O-CB 3.45Å; A43-Y47 PolarHBondContact O-N 3.17Å; Y47-K49 PolarHBondContact O-N 3.38Å; Y47-A50 PolarHBondContact O-N 2.81Å; Y47-A50 VanDerWaalsContact O-N 3.07Å; Y47-L51 PolarHBondContact O-N 3.25Å; Y47-L54 HydrophobicContact CD1-CD2 3.49Å; Y47-L54 VanDerWaalsContact CD1-CD2 3.49Å; Y47-L54 HydrophobicContact CE1-CD2 4.09Å; Y47-L54 HydrophobicContact CG-CD2 3.92Å; Y47-F104 HydrophobicContact CD2-CE2 4.4Å; Y47-F104 HydrophobicContact CD2-CZ 4.12Å; Y47-F104 AromaticContact CE2-CE2 3.75Å; Y47-F104 HydrophobicContact CE2-CE2 3.75Å; Y47-F104 AromaticContact CE2-CZ 3.79Å; Y47-F104 HydrophobicContact CE2-CZ 3.79Å
48A50.2Low49.4Very low31 Ų3193.1 Ų93.126%0.25649%0.487SS..Hα-helixtrans-64.9-18.7176.500000112.9Y44Y44-A48 WeakPolarHBondContact O-CB 3.26Å; Y44-A48 PolarHBondContact O-N 3.18Å
49K53.2Low49.4Very low193 Ų19392.6 Ų92.684%0.83948%0.479SS*.Hα-helixtrans-84.8-30.3173.8-148178.3-175.5-174.90112S46 Y47S46-K49 WeakPolarHBondContact O-CB 3.05Å; S46-K49 PolarHBondContact O-N 3.03Å; Y47-K49 PolarHBondContact O-N 3.38Å
50A49.8Very low49.5Very low76 Ų7695 Ų9563%0.62850%0.497SS*.Hα-helixtrans-90.1-27.3179.600000114S46 Y47S46-A50 PolarHBondContact O-N 3.48Å; Y47-A50 PolarHBondContact O-N 2.81Å; Y47-A50 VanDerWaalsContact O-N 3.07Å
51L41.4Very low49.5Very low95 Ų9595 Ų9550%0.49750%0.498SS..  trans-143.5107.8177.7-91.9116000111.3Y47 G53 L54Y47-L51 PolarHBondContact O-N 3.25Å; L51-G53 PolarHBondContact O-N 2.67Å; L51-G53 VanDerWaalsContact O-N 3.16Å; L51-L54 PolarHBondContact O-N 3.24Å
52P47.6Very low49.6Very low111 Ų11192.3 Ų92.372%0.72150%0.495SS*.THydrogen-bonded Turntrans-64-18.4177.623-31.1000113.7K55P52-K55 WeakPolarHBondContact O-CB 3.18Å
53G47Very low49.8Very low49 Ų4989.4 Ų89.451%0.50549%0.491SS..THydrogen-bonded Turntrans-71-31.2177.800000114.8L51 K55 K56L51-G53 PolarHBondContact O-N 2.67Å; L51-G53 VanDerWaalsContact O-N 3.16Å; G53-K55 VanDerWaalsContact C-N 3.25Å; G53-K55 PolarHBondContact O-N 3.19Å; G53-K56 PolarHBondContact O-N 2.85Å
54L45.4Very low50.1Low63 Ų6391.3 Ų91.333%0.3350%0.5SS..G310 helixtrans-69.6-26.5178.8-114.670.4000112.4Y44 Y47 L51 K56 I57Y44-L54 PolarHBondContact OH-O 3.06Å; Y47-L54 HydrophobicContact CD1-CD2 3.49Å; Y47-L54 VanDerWaalsContact CD1-CD2 3.49Å; Y47-L54 HydrophobicContact CE1-CD2 4.09Å; Y47-L54 HydrophobicContact CG-CD2 3.92Å; L51-L54 PolarHBondContact O-N 3.24Å; L54-K56 PolarHBondContact O-N 3.36Å; L54-I57 PolarHBondContact O-N 3.3Å; L54-I57 VanDerWaalsContact O-N 3.12Å
55K44.2Very low50.5Low149 Ų14990.3 Ų90.365%0.64850%0.496SS*.G310 helixtrans-61.7-26.1179.5-161.1-178.9-179.2-169.30112.7Y44 P52 G53Y44-K55 PolarHBondContact OH-O 3.28Å; P52-K55 WeakPolarHBondContact O-CB 3.18Å; G53-K55 VanDerWaalsContact C-N 3.25Å; G53-K55 PolarHBondContact O-N 3.19Å
56K45Very low51.1Low201 Ų20188.4 Ų88.487%0.87449%0.487SS*.G310 helixtrans-79.3-16.2178.2-97.6-167.7175.8-169.70114.2G53 L54G53-K56 PolarHBondContact O-N 2.85Å; L54-K56 PolarHBondContact O-N 3.36Å
57I49.2Very low51.7Low112 Ų11289.1 Ų89.157%0.57449%0.486SS*.SBendtrans-104.2-7.4-159.3-110.5168.6000114.2L54 I59L54-I57 PolarHBondContact O-N 3.3Å; L54-I57 VanDerWaalsContact O-N 3.12Å; I57-I59 HydrophobicContact CG2-CD1 3.27Å; I57-I59 HydrophobicContact CG2-CG1 3.32Å; I57-I59 PolarHBondContact O-N 3.49Å
58G46.9Very low52.5Low61 Ų6186.3 Ų86.363%0.62948%0.477SS*.  trans56.638.8160.900000115.9S60G58-S60 PolarHBondContact O-N 3.44Å
59I49.5Very low53.3Low52 Ų5284.8 Ų84.827%0.26747%0.465SS..  trans-77.3115.7-172.8-62.8172.3000110.8M40 I57 L63 L64M40-I59 WeakPolarHBondContact CE-O 3.28Å; I57-I59 HydrophobicContact CG2-CD1 3.27Å; I57-I59 HydrophobicContact CG2-CG1 3.32Å; I57-I59 PolarHBondContact O-N 3.49Å; I59-L63 HydrophobicContact CG2-CB 3.68Å; I59-L63 HydrophobicContact CG2-CD2 4.3Å; I59-L64 HydrophobicContact CG2-CD1 4.15Å
60S53.2Low54.4Low62 Ų6278.7 Ų78.743%0.43445%0.446SS..  trans-65.5152.7175.7170.10000113.2G58 V62 L63 L64G58-S60 PolarHBondContact O-N 3.44Å; S60-V62 PolarHBondContact O-N 3.02Å; S60-V62 VanDerWaalsContact O-N 3.14Å; S60-L63 WeakPolarHBondContact O-CB 2.97Å; S60-L63 PolarHBondContact O-N 2.91Å; S60-L64 PolarHBondContact O-N 3.38Å
61S48.7Very low55.5Low17 Ų1777.8 Ų77.812%0.11943%0.431CS..Hα-helixtrans-65.8-18.2-176.7-40.10000116.9Y37 M40Y37-S61 WeakPolarHBondContact CD2-OG 3.45Å; M40-S61 WeakPolarHBondContact CB-OG 3.33Å; M40-S61 VanDerWaalsContact CE-CA 3.47Å; M40-S61 WeakPolarHBondContact SD-CA 3.27Å; M40-S61 WeakPolarHBondContact SD-CB 3.06Å
62V53Low57.2Low105 Ų10573.4 Ų73.464%0.63641%0.408SS*.Hα-helixtrans-74.7-36.7171.8-173.60000110.6S60 K66S60-V62 PolarHBondContact O-N 3.02Å; S60-V62 VanDerWaalsContact O-N 3.14Å; V62-K66 WeakPolarHBondContact O-CB 3.4Å; V62-K66 PolarHBondContact O-N 3.45Å; V62-K66 VanDerWaalsContact O-N 3.14Å
63L57.6Low58.7Low90 Ų9069.9 Ų69.947%0.47138%0.384SS..Hα-helixtrans-70.8-40.7-179.8-112.974.8000111.8I59 S60 R65 K66 I67I59-L63 HydrophobicContact CG2-CB 3.68Å; I59-L63 HydrophobicContact CG2-CD2 4.3Å; S60-L63 WeakPolarHBondContact O-CB 2.97Å; S60-L63 PolarHBondContact O-N 2.91Å; L63-R65 PolarHBondContact O-N 3.18Å; L63-K66 CarbonylContact O-C 3.52Å; L63-K66 PolarHBondContact O-N 2.85Å; L63-I67 HydrophobicContact CB-CD1 4.5Å; L63-I67 WeakPolarHBondContact O-CB 3.1Å; L63-I67 WeakPolarHBondContact O-CD1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.46Å
64L59Low60.3Low41 Ų4169.2 Ų69.222%0.21538%0.377CS..Hα-helixtrans-66.1-40.6-178.5-148.483000111.7M40 I59 S60 K66 I67 I68 F104M40-L64 HydrophobicContact CE-CB 3.72Å; M40-L64 HydrophobicContact CE-CD1 4.39Å; M40-L64 HydrophobicContact CE-CD2 4.04Å; M40-L64 HydrophobicContact CE-CG 4.27Å; M40-L64 HydrophobicContact CG-CD2 3.79Å; M40-L64 HydrophobicContact SD-CB 3.21Å; M40-L64 WeakPolarHBondContact SD-CB 3.31Å; M40-L64 HydrophobicContact SD-CD2 3.44Å; M40-L64 WeakPolarHBondContact SD-CD2 3.37Å; M40-L64 HydrophobicContact SD-CG 3.89Å; I59-L64 HydrophobicContact CG2-CD1 4.15Å; S60-L64 PolarHBondContact O-N 3.38Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.46Å; L64-I67 PolarHBondContact O-N 3.29Å; L64-I68 HydrophobicContact CD2-CD1 4.24Å; L64-I68 HydrophobicContact CG-CD1 4.18Å; L64-I68 WeakPolarHBondContact O-CB 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.23Å; L64-I68 PolarHBondContact O-N 2.85Å; L64-F104 HydrophobicContact CD2-CE1 3.76Å; L64-F104 HydrophobicContact CD2-CZ 3.85Å
65R60.2Low61.5Low62 Ų6266.9 Ų66.923%0.23437%0.365CS..Hα-helixtrans-61.5-42.2172.7-172.2-175.9-163.8142.611.3111.6K27 L32 L63 G69K27-R65 PolarHBondContact O-NE 3.37Å; L32-R65 PolarHBondContact O-NH1 3.25Å; L63-R65 PolarHBondContact O-N 3.18Å; R65-G69 PolarHBondContact O-N 3.02Å
66K65.6Low63.2Low131 Ų13159.8 Ų59.857%0.5734%0.335SS*.Hα-helixtrans-66.5-41.5178.2-150.3174.4179.7-179.70110.8V62 L63 L64 S70V62-K66 WeakPolarHBondContact O-CB 3.4Å; V62-K66 PolarHBondContact O-N 3.45Å; V62-K66 VanDerWaalsContact O-N 3.14Å; L63-K66 CarbonylContact O-C 3.52Å; L63-K66 PolarHBondContact O-N 2.85Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.46Å; K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 2.79Å; K66-S70 PolarHBondContact O-OG 3.3Å
67I66.4Low64.9Low74 Ų7453 Ų5338%0.37931%0.31SS..Hα-helixtrans-65.8-47.6176.5-70163.6000110.6L63 L64 S70 L71L63-I67 HydrophobicContact CB-CD1 4.5Å; L63-I67 WeakPolarHBondContact O-CB 3.1Å; L63-I67 WeakPolarHBondContact O-CD1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.46Å; L64-I67 PolarHBondContact O-N 3.29Å; I67-S70 PolarHBondContact O-N 2.88Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 PolarHBondContact O-N 2.85Å
68I68.9Low66.2Low37 Ų3750.2 Ų50.219%0.1930%0.298CS..Hα-helixtrans-63.7-48179.5-71.2169.3000110.6L64 L71 E72 V97 V101L64-I68 HydrophobicContact CD2-CD1 4.24Å; L64-I68 HydrophobicContact CG-CD1 4.18Å; L64-I68 WeakPolarHBondContact O-CB 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.23Å; L64-I68 PolarHBondContact O-N 2.85Å; I68-L71 PolarHBondContact O-N 2.67Å; I68-E72 WeakPolarHBondContact O-CG 3.44Å; I68-E72 PolarHBondContact O-N 3.38Å; I68-V97 HydrophobicContact CG2-CG1 4.09Å; I68-V101 HydrophobicContact CD1-CG2 3.98Å; I68-V101 HydrophobicContact CG1-CG2 4.47Å; I68-V101 HydrophobicContact CG2-CG2 3.51Å
69G68.5Low67.5Low0 Ų047.4 Ų47.40%027%0.269CS..Hα-helixtrans-66-39.1178.700000112.6R65 L71 E72 V73R65-G69 PolarHBondContact O-N 3.02Å; G69-L71 VanDerWaalsContact C-N 3.35Å; G69-E72 PolarHBondContact O-N 3.12Å; G69-V73 WeakPolarHBondContact O-CG2 2.88Å; G69-V73 PolarHBondContact O-N 3.43Å
70S75.2Confident68.8Low64 Ų6446.2 Ų46.245%0.44826%0.264SS..Hα-helixtrans-65.8-35.8172-63.90000112.4K66 I67 G74K66-S70 WeakPolarHBondContact O-CB 3.44Å; K66-S70 PolarHBondContact O-N 2.79Å; K66-S70 PolarHBondContact O-OG 3.3Å; I67-S70 PolarHBondContact O-N 2.88Å; S70-G74 PolarHBondContact O-N 3.4Å
71L73.7Confident69.7Low58 Ų5849.4 Ų49.430%0.30428%0.275SS..Hα-helixtrans-68.7-39.6173.8-112.283.9000111.5I67 I68 G69 C75 L93 V97I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 PolarHBondContact O-N 2.85Å; I68-L71 PolarHBondContact O-N 2.67Å; G69-L71 VanDerWaalsContact C-N 3.35Å; L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.12Å; L71-C75 PolarHBondContact O-SG 3.37Å; L71-L93 HydrophobicContact CD2-CD2 4.02Å; L71-V97 HydrophobicContact CB-CG2 4.48Å; L71-V97 HydrophobicContact CD2-CG2 3.38Å
72E76.5Confident70.3Confident3 Ų350.9 Ų50.91%0.01428%0.284CS..Hα-helixtrans-63.9-44.3176.2-79.7178.9130.400111.1F20 K27 I68 G69 G76F20-E72 HydrophobicContact CD1-CB 4.05Å; F20-E72 HydrophobicContact CD1-CG 3.93Å; F20-E72 HydrophobicContact CE1-CG 4.01Å; K27-E72 WeakPolarHBondContact CD-OE2 3.45Å; K27-E72 VanDerWaalsContact NZ-CD 3.29Å; K27-E72 IonicContact NZ-OE1 2.61Å; K27-E72 PolarHBondContact NZ-OE1 3.48Å; K27-E72 IonicContact NZ-OE2 3.52Å; K27-E72 PolarHBondContact NZ-OE2 2.85Å; K27-E72 VanDerWaalsContact NZ-OE2 3.09Å; I68-E72 WeakPolarHBondContact O-CG 3.44Å; I68-E72 PolarHBondContact O-N 3.38Å; G69-E72 PolarHBondContact O-N 3.12Å; E72-G76 WeakPolarHBondContact O-CA 3.32Å; E72-G76 PolarHBondContact O-N 3.44Å
73V79Confident70.6Confident37 Ų3750.7 Ų50.722%0.22429%0.285CS..Hα-helixtrans-66-51174.8174.10000110.7V21 T25 G69 C75 G76 V77V21-V73 HydrophobicContact CG1-CG1 4.42Å; T25-V73 HydrophobicContact CG2-CG2 4.08Å; G69-V73 WeakPolarHBondContact O-CG2 2.88Å; G69-V73 PolarHBondContact O-N 3.43Å; V73-C75 PolarHBondContact O-N 3.41Å; V73-G76 PolarHBondContact O-N 2.84Å; V73-V77 HydrophobicContact CG1-CG2 4.48Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.49Å; V73-V77 PolarHBondContact O-N 3.16Å
74G80.1Confident70.8Confident34 Ų3448.3 Ų48.335%0.35128%0.282SS..Hα-helixtrans-60.6-47.1-178.300000112.2S70 V77 V78S70-G74 PolarHBondContact O-N 3.4Å; G74-V77 PolarHBondContact O-N 2.89Å; G74-V78 VanDerWaalsContact O-CG2 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 2.75Å
75C72.1Confident70.8Confident14 Ų1455.4 Ų55.410%0.09531%0.306CS..Hα-helixtrans-72.1-32.8177.3-63.60000112.3L71 V73 V78 L79 L94L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.12Å; L71-C75 PolarHBondContact O-SG 3.37Å; V73-C75 PolarHBondContact O-N 3.41Å; C75-V78 PolarHBondContact O-N 3.43Å; C75-L79 VanDerWaalsContact O-CB 3.3Å; C75-L79 WeakPolarHBondContact O-CB 3.11Å; C75-L79 PolarHBondContact O-N 3.45Å; C75-L94 HydrophobicContact CB-CD1 3.3Å; C75-L94 HydrophobicContact CB-CD2 4.22Å; C75-L94 HydrophobicContact CB-CG 3.37Å
76G78.6Confident70.9Confident0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-60.2-46.1172.100000111.6E72 V73 V78 L79 T80E72-G76 WeakPolarHBondContact O-CA 3.32Å; E72-G76 PolarHBondContact O-N 3.44Å; V73-G76 PolarHBondContact O-N 2.84Å; G76-V78 PolarHBondContact O-N 3.3Å; G76-L79 PolarHBondContact O-N 2.9Å; G76-T80 PolarHBondContact O-N 2.91Å; G76-T80 PolarHBondContact O-OG1 3.33Å
77V80.8Confident71Confident59 Ų5950.4 Ų50.436%0.35829%0.294SS..Hα-helixtrans-59.6-44.9173.8171.40000111.2V21 V73 G74 L79 T80 L81V21-V77 HydrophobicContact CG2-CG2 3.76Å; V73-V77 HydrophobicContact CG1-CG2 4.48Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.49Å; V73-V77 PolarHBondContact O-N 3.16Å; G74-V77 PolarHBondContact O-N 2.89Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.84Å; V77-T80 PolarHBondContact O-N 3.36Å; V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.33Å; V77-L81 WeakPolarHBondContact O-CB 3.47Å; V77-L81 PolarHBondContact O-N 2.89Å
78V77.1Confident70.9Confident54 Ų5448.7 Ų48.733%0.32729%0.285SS..Hα-helixtrans-64-39.7176.1173.80000111.3G74 C75 G76 T80 V82 A90G74-V78 VanDerWaalsContact O-CG2 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 2.75Å; C75-V78 PolarHBondContact O-N 3.43Å; G76-V78 PolarHBondContact O-N 3.3Å; V78-T80 VanDerWaalsContact C-N 3.31Å; V78-T80 PolarHBondContact O-N 3.22Å; V78-V82 HydrophobicContact CG1-CB 4.21Å; V78-V82 HydrophobicContact CG1-CG2 4.08Å; V78-V82 WeakPolarHBondContact O-CA 3.39Å; V78-V82 VanDerWaalsContact O-CB 3.25Å; V78-V82 WeakPolarHBondContact O-CB 3.4Å; V78-V82 PolarHBondContact O-N 2.87Å; V78-A90 HydrophobicContact CB-CB 4.39Å; V78-A90 HydrophobicContact CG1-CB 3.63Å
79L73.4Confident71Confident1 Ų151.7 Ų51.71%0.00531%0.305CS..Hα-helixtrans-67.8-31.5178.4-157.776000112L16 C75 G76 V77 K87 N91 L94 L125L16-L79 HydrophobicContact CB-CD2 4.28Å; C75-L79 VanDerWaalsContact O-CB 3.3Å; C75-L79 WeakPolarHBondContact O-CB 3.11Å; C75-L79 PolarHBondContact O-N 3.45Å; G76-L79 PolarHBondContact O-N 2.9Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.84Å; L79-K87 HydrophobicContact CD1-CG 3.87Å; L79-K87 PolarHBondContact O-NZ 3.26Å; L79-N91 HydrophobicContact CD1-CB 4.39Å; L79-L94 HydrophobicContact CD2-CD1 4.45Å; L79-L125 HydrophobicContact CD2-CD2 4.11Å
80T77.3Confident71Confident27 Ų2752.3 Ų52.317%0.16631%0.31CS..Hα-helixtrans-78.6-45.9175.8-57.80000112.2F14 G17 L18 G76 V77 V78F14-T80 HydrophobicContact CD2-CG2 3.56Å; F14-T80 HydrophobicContact CE2-CG2 3.35Å; F14-T80 HydrophobicContact CG-CG2 4.37Å; F14-T80 HydrophobicContact CZ-CG2 4.03Å; G17-T80 VanDerWaalsContact C-OG1 3.25Å; G17-T80 WeakPolarHBondContact CA-OG1 3.39Å; L18-T80 PolarHBondContact N-OG1 3.34Å; G76-T80 PolarHBondContact O-N 2.91Å; G76-T80 PolarHBondContact O-OG1 3.33Å; V77-T80 PolarHBondContact O-N 3.36Å; V78-T80 VanDerWaalsContact C-N 3.31Å; V78-T80 PolarHBondContact O-N 3.22Å
81L71.7Confident70.9Confident129 Ų12949.3 Ų49.368%0.67529%0.289SS*.Hα-helixtrans-89-25.1-171.8-69.6174.3000114.4V77 P83V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.33Å; V77-L81 WeakPolarHBondContact O-CB 3.47Å; V77-L81 PolarHBondContact O-N 2.89Å; L81-P83 WeakPolarHBondContact O-CD 3.46Å
82V62Low70.8Confident49 Ų4951.8 Ų51.830%0.29730%0.298SS..  trans-110.9102-173.2-170.70000110.7V78 P86 K87V78-V82 HydrophobicContact CG1-CB 4.21Å; V78-V82 HydrophobicContact CG1-CG2 4.08Å; V78-V82 WeakPolarHBondContact O-CA 3.39Å; V78-V82 VanDerWaalsContact O-CB 3.25Å; V78-V82 WeakPolarHBondContact O-CB 3.4Å; V78-V82 PolarHBondContact O-N 2.87Å; V82-P86 HydrophobicContact CG1-CG 3.66Å; V82-K87 VanDerWaalsContact O-CD 3.3Å; V82-K87 WeakPolarHBondContact O-CD 3.22Å; V82-K87 WeakPolarHBondContact O-CG 3.3Å; V82-K87 PolarHBondContact O-NZ 3.43Å; V82-K87 VanDerWaalsContact O-NZ 3.1Å
83P58.9Low70.6Confident101 Ų10155.4 Ų55.466%0.65632%0.317SS*.  trans-88.2115.5161.331-28.2000109.8L81L81-P83 WeakPolarHBondContact O-CD 3.46Å
84G61.9Low70.3Confident40 Ų4053.7 Ų53.741%0.41231%0.306SS..SBendtrans155.2-172.7175.200000114.6P86 K87G84-P86 VanDerWaalsContact C-CD 3.43Å; G84-K87 WeakPolarHBondContact O-CA 3.43Å; G84-K87 WeakPolarHBondContact O-CB 3.48Å; G84-K87 PolarHBondContact O-N 2.8Å
85R58.6Low69.8Low189 Ų18953.4 Ų53.471%0.71330%0.296SS*.THydrogen-bonded Turntrans-50.3-39178-65.4-80.2142.481.3-13.5115.8K87 D88 D136R85-K87 PolarHBondContact O-N 3.34Å; R85-D88 PolarHBondContact O-N 3.06Å; R85-D136 IonicContact NH2-OD2 3.6Å
86P63.6Low69.7Low78 Ų7857.6 Ų57.651%0.50632%0.317SS..Hα-helixtrans-66.6-16.7175.224.5-35.3000113.8V82 G84 D88 V89 A90V82-P86 HydrophobicContact CG1-CG 3.66Å; G84-P86 VanDerWaalsContact C-CD 3.43Å; P86-D88 PolarHBondContact O-N 2.99Å; P86-V89 PolarHBondContact O-N 3.07Å; P86-A90 PolarHBondContact O-N 2.84Å; P86-A90 VanDerWaalsContact O-N 3.12Å
87K65.9Low69.3Low11 Ų1158.5 Ų58.55%0.04832%0.323CS..Hα-helixtrans-64.3-31176.2-158.9-176.8-174.71010111.7S13 L79 V82 G84 R85 A90 N91S13-K87 VanDerWaalsContact CB-CE 3.45Å; L79-K87 HydrophobicContact CD1-CG 3.87Å; L79-K87 PolarHBondContact O-NZ 3.26Å; V82-K87 VanDerWaalsContact O-CD 3.3Å; V82-K87 WeakPolarHBondContact O-CD 3.22Å; V82-K87 WeakPolarHBondContact O-CG 3.3Å; V82-K87 PolarHBondContact O-NZ 3.43Å; V82-K87 VanDerWaalsContact O-NZ 3.1Å; G84-K87 WeakPolarHBondContact O-CA 3.43Å; G84-K87 WeakPolarHBondContact O-CB 3.48Å; G84-K87 PolarHBondContact O-N 2.8Å; R85-K87 PolarHBondContact O-N 3.34Å; K87-A90 PolarHBondContact O-N 3.29Å; K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 3.48Å
88D66.1Low68.9Low37 Ų3756 Ų5620%0.19831%0.307CS..Hα-helixtrans-74.7-33.4-179.1-61.3-39.5000112.2R85 P86 N91 F92 R128R85-D88 PolarHBondContact O-N 3.06Å; P86-D88 PolarHBondContact O-N 2.99Å; D88-N91 PolarHBondContact O-N 3.05Å; D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 3.17Å; D88-F92 PolarHBondContact O-N 3Å; D88-R128 IonicContact OD1-NH1 2.67Å; D88-R128 PolarHBondContact OD1-NH1 3.33Å
89V70.6Confident68.4Low101 Ų10158.5 Ų58.561%0.61232%0.318SS*.Hα-helixtrans-67.4-47.3171.8-178.50000110P86 N91 F92 L93P86-V89 PolarHBondContact O-N 3.07Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 3.35Å; V89-F92 PolarHBondContact O-N 3.37Å; V89-L93 WeakPolarHBondContact O-CB 3.34Å; V89-L93 PolarHBondContact O-N 3.14Å
90A68.6Low68Low13 Ų1359.7 Ų59.711%0.10733%0.328CS..Hα-helixtrans-60.5-40.617600000111.7V78 P86 K87 L93 L94V78-A90 HydrophobicContact CB-CB 4.39Å; V78-A90 HydrophobicContact CG1-CB 3.63Å; P86-A90 PolarHBondContact O-N 2.84Å; P86-A90 VanDerWaalsContact O-N 3.12Å; K87-A90 PolarHBondContact O-N 3.29Å; A90-L93 PolarHBondContact O-N 3.45Å; A90-L94 VanDerWaalsContact O-CB 3.32Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 2.68Å
91N71.9Confident67.4Low0 Ų058.9 Ų58.90%032%0.323CS..Hα-helixtrans-69.1-39.4178.7-159.469.6000111.8L79 K87 D88 V89 L94 L95 L125 L129L79-N91 HydrophobicContact CD1-CB 4.39Å; K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 3.48Å; D88-N91 PolarHBondContact O-N 3.05Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 3.35Å; N91-L94 WeakPolarHBondContact O-CB 3.16Å; N91-L94 PolarHBondContact O-N 2.92Å; N91-L95 VanDerWaalsContact O-CB 3.26Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 3.25Å; N91-L125 PolarHBondContact ND2-O 2.91Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.27Å; N91-L129 HydrophobicContact CB-CD1 4.14Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 3.48Å; N91-L129 WeakPolarHBondContact ND2-CD1 3.24Å
92F72.3Confident67.1Low111 Ų11154.8 Ų54.849%0.48730%0.302SS..Hα-helixtrans-64.8-42.2173.4-172.3-95.1000111.5D88 V89 L95 L96 L129D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 3.17Å; D88-F92 PolarHBondContact O-N 3Å; V89-F92 PolarHBondContact O-N 3.37Å; F92-L95 PolarHBondContact O-N 3.29Å; F92-L96 WeakPolarHBondContact O-CB 3.41Å; F92-L96 PolarHBondContact O-N 3.25Å; F92-L129 HydrophobicContact CD2-CD2 4.22Å
93L72.1Confident67.3Low79 Ų7958.6 Ų58.641%0.41431%0.314SS..Hα-helixtrans-63-44.9174.7-133.789.8000111.3L71 V89 A90 L95 L96 V97L71-L93 HydrophobicContact CD2-CD2 4.02Å; V89-L93 WeakPolarHBondContact O-CB 3.34Å; V89-L93 PolarHBondContact O-N 3.14Å; A90-L93 PolarHBondContact O-N 3.45Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.07Å; L93-L96 PolarHBondContact O-N 3.03Å; L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3Å; L93-V97 PolarHBondContact O-N 3.1Å
94L71.9Confident67.2Low1 Ų154.9 Ų54.91%0.00529%0.288CS..Hα-helixtrans-58-45175-110.4154.8000111.9F20 C75 L79 A90 N91 V97 M98 L125F20-L94 HydrophobicContact CD1-CD2 3.61Å; F20-L94 HydrophobicContact CD2-CD2 4.42Å; F20-L94 HydrophobicContact CE1-CD2 3.46Å; F20-L94 VanDerWaalsContact CE1-CD2 3.46Å; F20-L94 HydrophobicContact CE2-CD2 4.29Å; F20-L94 HydrophobicContact CG-CD2 4.09Å; F20-L94 HydrophobicContact CZ-CD2 3.83Å; C75-L94 HydrophobicContact CB-CD1 3.3Å; C75-L94 HydrophobicContact CB-CD2 4.22Å; C75-L94 HydrophobicContact CB-CG 3.37Å; L79-L94 HydrophobicContact CD2-CD1 4.45Å; A90-L94 VanDerWaalsContact O-CB 3.32Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 2.68Å; N91-L94 WeakPolarHBondContact O-CB 3.16Å; N91-L94 PolarHBondContact O-N 2.92Å; L94-V97 PolarHBondContact O-N 2.95Å; L94-M98 WeakPolarHBondContact O-CB 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.42Å; L94-M98 PolarHBondContact O-N 3.2Å; L94-L125 HydrophobicContact CB-CD1 4.28Å; L94-L125 HydrophobicContact CD2-CD1 4.08Å
95L71.2Confident67.1Low27 Ų2754.7 Ų54.714%0.14128%0.276CS..Hα-helixtrans-66.3-44.6179.4-158.5167.3000110.1N91 F92 L93 V97 M98 L99 T126 L129N91-L95 VanDerWaalsContact O-CB 3.26Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 3.25Å; F92-L95 PolarHBondContact O-N 3.29Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.07Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.86Å; L95-M98 PolarHBondContact O-N 2.88Å; L95-M98 VanDerWaalsContact O-N 3.16Å; L95-L99 HydrophobicContact CD2-CD1 4.42Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.85Å; L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.13Å; L95-L129 HydrophobicContact CD1-CB 4.33Å; L95-L129 HydrophobicContact CD1-CD2 3.71Å
96L69.8Low66.8Low102 Ų10251.4 Ų51.453%0.53427%0.269SS..Hα-helixtrans-58.8-44.7175-166.995000111.6F92 L93 L99 A100F92-L96 WeakPolarHBondContact O-CB 3.41Å; F92-L96 PolarHBondContact O-N 3.25Å; L93-L96 PolarHBondContact O-N 3.03Å; L96-L99 PolarHBondContact O-N 2.88Å; L96-A100 WeakPolarHBondContact O-CB 3.5Å; L96-A100 PolarHBondContact O-N 3.26Å
97V69.9Low66.3Low20 Ų2050.1 Ų50.112%0.12126%0.258CS..Hα-helixtrans-63.2-42.8175.51700000110.9I68 L71 L93 L94 L95 A100 V101I68-V97 HydrophobicContact CG2-CG1 4.09Å; L71-V97 HydrophobicContact CB-CG2 4.48Å; L71-V97 HydrophobicContact CD2-CG2 3.38Å; L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3Å; L93-V97 PolarHBondContact O-N 3.1Å; L94-V97 PolarHBondContact O-N 2.95Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.86Å; V97-A100 PolarHBondContact O-N 2.99Å; V97-V101 HydrophobicContact CG1-CG2 4.41Å; V97-V101 WeakPolarHBondContact O-CB 3.27Å; V97-V101 VanDerWaalsContact O-CG2 3.26Å; V97-V101 WeakPolarHBondContact O-CG2 3.35Å; V97-V101 PolarHBondContact O-N 3.12Å
98M71.8Confident65.5Low6 Ų651.3 Ų51.33%0.0327%0.266CS..Hα-helixtrans-67.8-38.7179.4-79.2-84.458.100112.9F20 L94 L95 V101 L102 A118 L125F20-M98 HydrophobicContact CE1-CG 3.88Å; F20-M98 HydrophobicContact CE1-SD 3.63Å; F20-M98 HydrophobicContact CZ-CG 3.71Å; F20-M98 HydrophobicContact CZ-SD 3.51Å; F20-M98 VanDerWaalsContact CZ-SD 3.51Å; L94-M98 WeakPolarHBondContact O-CB 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.42Å; L94-M98 PolarHBondContact O-N 3.2Å; L95-M98 PolarHBondContact O-N 2.88Å; L95-M98 VanDerWaalsContact O-N 3.16Å; M98-V101 HydrophobicContact CE-CB 3.69Å; M98-V101 HydrophobicContact CE-CG1 3.72Å; M98-V101 HydrophobicContact CE-CG2 4.15Å; M98-V101 PolarHBondContact O-N 3.49Å; M98-L102 VanDerWaalsContact O-CB 3.3Å; M98-L102 WeakPolarHBondContact O-CB 2.92Å; M98-L102 PolarHBondContact O-N 3.4Å; M98-A118 HydrophobicContact CE-CB 3.92Å; M98-A118 HydrophobicContact SD-CB 4.4Å; M98-L125 HydrophobicContact CG-CD1 4.22Å
99L66.4Low64.9Low107 Ų10752.6 Ų52.656%0.5629%0.288SS*.Hα-helixtrans-65.1-43174.3-144.277.8000110.7L95 L96 L102 F103L95-L99 HydrophobicContact CD2-CD1 4.42Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.85Å; L96-L99 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 3.26Å; L99-F103 WeakPolarHBondContact O-CB 2.99Å; L99-F103 PolarHBondContact O-N 2.92Å
100A65.6Low64.1Low25 Ų2549.5 Ų49.521%0.20727%0.268CS..Hα-helixtrans-59.8-53.5173.500000110.3L96 V97 L102 F103 F104L96-A100 WeakPolarHBondContact O-CB 3.5Å; L96-A100 PolarHBondContact O-N 3.26Å; V97-A100 PolarHBondContact O-N 2.99Å; A100-L102 VanDerWaalsContact C-N 3.25Å; A100-L102 PolarHBondContact O-N 2.89Å; A100-F103 PolarHBondContact O-N 3.2Å; A100-F103 VanDerWaalsContact O-N 3.07Å; A100-F104 WeakPolarHBondContact O-CD2 3.37Å; A100-F104 PolarHBondContact O-N 2.82Å
101V65Low63.5Low10 Ų1052.7 Ų52.76%0.06129%0.287CS..Hα-helixtrans-53.3-44.1176.8168.90000111.5I68 V97 M98 H105I68-V101 HydrophobicContact CD1-CG2 3.98Å; I68-V101 HydrophobicContact CG1-CG2 4.47Å; I68-V101 HydrophobicContact CG2-CG2 3.51Å; V97-V101 HydrophobicContact CG1-CG2 4.41Å; V97-V101 WeakPolarHBondContact O-CB 3.27Å; V97-V101 VanDerWaalsContact O-CG2 3.26Å; V97-V101 WeakPolarHBondContact O-CG2 3.35Å; V97-V101 PolarHBondContact O-N 3.12Å; M98-V101 HydrophobicContact CE-CB 3.69Å; M98-V101 HydrophobicContact CE-CG1 3.72Å; M98-V101 HydrophobicContact CE-CG2 4.15Å; M98-V101 PolarHBondContact O-N 3.49Å; V101-H105 PolarHBondContact O-N 3.32Å; V101-H105 PolarHBondContact O-ND1 3.25Å
102L65.8Low62.7Low44 Ų4457.5 Ų57.523%0.2331%0.313CS..Hα-helixtrans-68.1-38.3179.7-161.874.8000112.7M98 L99 A100 H105 Q106 L119M98-L102 VanDerWaalsContact O-CB 3.3Å; M98-L102 WeakPolarHBondContact O-CB 2.92Å; M98-L102 PolarHBondContact O-N 3.4Å; L99-L102 PolarHBondContact O-N 3.26Å; A100-L102 VanDerWaalsContact C-N 3.25Å; A100-L102 PolarHBondContact O-N 2.89Å; L102-H105 PolarHBondContact O-N 3.45Å; L102-Q106 PolarHBondContact O-N 3.47Å; L102-L119 HydrophobicContact CD1-CB 4.02Å; L102-L119 HydrophobicContact CD1-CD1 3.94Å; L102-L119 HydrophobicContact CD1-CG 3.62Å; L102-L119 HydrophobicContact CD2-CD1 4.32Å; L102-L119 HydrophobicContact CD2-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CG 3.75Å; L102-L119 HydrophobicContact CG-CG 4.3Å
103F64.4Low62Low128 Ų12861.7 Ų61.756%0.56133%0.331SS*.Hα-helixtrans-67.2-37.7179.3-165.1-100.4000112.2L99 A100 L107L99-F103 WeakPolarHBondContact O-CB 2.99Å; L99-F103 PolarHBondContact O-N 2.92Å; A100-F103 PolarHBondContact O-N 3.2Å; A100-F103 VanDerWaalsContact O-N 3.07Å; F103-L107 HydrophobicContact CD1-CD1 3.57Å; F103-L107 HydrophobicContact CD1-CG 4.46Å; F103-L107 HydrophobicContact CE1-CD1 3.48Å; F103-L107 VanDerWaalsContact CE1-CD1 3.48Å; F103-L107 HydrophobicContact CE1-CG 4.33Å; F103-L107 HydrophobicContact CZ-CD1 4.4Å; F103-L107 WeakPolarHBondContact O-CB 3.48Å; F103-L107 WeakPolarHBondContact O-CG 3.12Å; F103-L107 PolarHBondContact O-N 3.37Å
104F58.3Low61.3Low23 Ų2365.5 Ų65.510%0.10134%0.339CS..Hα-helixtrans-60.6-53.1171-80.3-118.5000110E39 M40 A43 Y47 L64 A100 Q106 L107 V108E39-F104 VanDerWaalsContact OE2-C 3.28Å; M40-F104 HydrophobicContact CG-CE1 4.12Å; A43-F104 HydrophobicContact CB-CD1 3.15Å; A43-F104 HydrophobicContact CB-CD2 4.13Å; A43-F104 HydrophobicContact CB-CE1 2.91Å; A43-F104 HydrophobicContact CB-CE2 3.99Å; A43-F104 HydrophobicContact CB-CG 3.82Å; A43-F104 HydrophobicContact CB-CZ 3.39Å; Y47-F104 HydrophobicContact CD2-CE2 4.4Å; Y47-F104 HydrophobicContact CD2-CZ 4.12Å; Y47-F104 AromaticContact CE2-CE2 3.75Å; Y47-F104 HydrophobicContact CE2-CE2 3.75Å; Y47-F104 AromaticContact CE2-CZ 3.79Å; Y47-F104 HydrophobicContact CE2-CZ 3.79Å; L64-F104 HydrophobicContact CD2-CE1 3.76Å; L64-F104 HydrophobicContact CD2-CZ 3.85Å; A100-F104 WeakPolarHBondContact O-CD2 3.37Å; A100-F104 PolarHBondContact O-N 2.82Å; F104-Q106 VanDerWaalsContact C-N 3.29Å; F104-Q106 PolarHBondContact O-N 3.24Å; F104-L107 CarbonylContact O-C 3.56Å; F104-L107 VanDerWaalsContact O-CA 3.31Å; F104-L107 WeakPolarHBondContact O-CA 3.13Å; F104-L107 VanDerWaalsContact O-CB 3.28Å; F104-L107 WeakPolarHBondContact O-CB 3.34Å; F104-L107 PolarHBondContact O-N 2.92Å; F104-V108 PolarHBondContact O-N 2.93Å
105H58.3Low61Low36 Ų3666.9 Ų66.917%0.16735%0.345CS..Hα-helixtrans-59.2-36.4-179.4-72.895.6000114.2E39 V101 L102 L107 V108 G109 Y115E39-H105 VanDerWaalsContact OE2-CA 3.23Å; E39-H105 WeakPolarHBondContact OE2-CA 3.35Å; E39-H105 IonicContact OE2-CD2 3.67Å; E39-H105 PolarHBondContact OE2-CD2 2.88Å; E39-H105 VanDerWaalsContact OE2-CD2 3.28Å; E39-H105 IonicContact OE2-CG 3.28Å; E39-H105 PolarHBondContact OE2-N 3.03Å; E39-H105 IonicContact OE2-NE2 3.09Å; V101-H105 PolarHBondContact O-N 3.32Å; V101-H105 PolarHBondContact O-ND1 3.25Å; L102-H105 PolarHBondContact O-N 3.45Å; H105-L107 VanDerWaalsContact C-N 3.34Å; H105-V108 PolarHBondContact O-N 3.39Å; H105-G109 PolarHBondContact O-N 3.21Å; H105-G109 VanDerWaalsContact O-N 3.14Å; H105-Y115 HydrophobicContact CB-CD2 4Å; H105-Y115 HydrophobicContact CB-CE2 4.32Å; H105-Y115 HydrophobicContact CB-CG 4.11Å; H105-Y115 AromaticContact CD2-CD1 3.56Å; H105-Y115 AromaticContact CD2-CD2 3.63Å; H105-Y115 AromaticContact CD2-CE1 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.34Å; H105-Y115 AromaticContact CD2-CE2 3.18Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.26Å; H105-Y115 AromaticContact CD2-CG 3.8Å; H105-Y115 AromaticContact CD2-CZ 2.87Å; H105-Y115 PolarHBondContact CD2-OH 3.34Å; H105-Y115 VanDerWaalsContact CD2-OH 3.23Å; H105-Y115 AromaticContact CE1-CD1 3.75Å; H105-Y115 AromaticContact CE1-CE1 3.46Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.46Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.49Å; H105-Y115 AromaticContact CG-CD1 3.68Å; H105-Y115 AromaticContact CG-CD2 3.82Å; H105-Y115 AromaticContact CG-CE1 3.74Å; H105-Y115 AromaticContact CG-CE2 3.86Å; H105-Y115 AromaticContact CG-CG 3.73Å; H105-Y115 AromaticContact CG-CZ 3.8Å; H105-Y115 AromaticContact ND1-CD1 3.81Å; H105-Y115 AromaticContact ND1-CE1 3.93Å; H105-Y115 AromaticContact NE2-CD1 3.58Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.44Å; H105-Y115 AromaticContact NE2-CE2 3.87Å; H105-Y115 AromaticContact NE2-CZ 3.04Å; H105-Y115 PolarHBondContact NE2-OH 2.94Å; H105-Y115 VanDerWaalsContact NE2-OH 3.17Å
106Q53.1Low60.7Low121 Ų12167.7 Ų67.757%0.56536%0.356SS*.Hα-helixtrans-63.7-38.7170.6-94.4-69.4-0.400112.6L102 F104 V108 G109L102-Q106 PolarHBondContact O-N 3.47Å; F104-Q106 VanDerWaalsContact C-N 3.29Å; F104-Q106 PolarHBondContact O-N 3.24Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.29Å; Q106-G109 PolarHBondContact O-N 2.86Å
107L54Low60.6Low50 Ų5066.5 Ų66.526%0.26235%0.347SS..Hα-helixtrans-69.2-25.7176.6-82.5163.1000113.4R42 F103 F104 H105R42-L107 WeakPolarHBondContact CD-O 3.38Å; R42-L107 PolarHBondContact NH1-O 2.87Å; F103-L107 HydrophobicContact CD1-CD1 3.57Å; F103-L107 HydrophobicContact CD1-CG 4.46Å; F103-L107 HydrophobicContact CE1-CD1 3.48Å; F103-L107 VanDerWaalsContact CE1-CD1 3.48Å; F103-L107 HydrophobicContact CE1-CG 4.33Å; F103-L107 HydrophobicContact CZ-CD1 4.4Å; F103-L107 WeakPolarHBondContact O-CB 3.48Å; F103-L107 WeakPolarHBondContact O-CG 3.12Å; F103-L107 PolarHBondContact O-N 3.37Å; F104-L107 CarbonylContact O-C 3.56Å; F104-L107 VanDerWaalsContact O-CA 3.31Å; F104-L107 WeakPolarHBondContact O-CA 3.13Å; F104-L107 VanDerWaalsContact O-CB 3.28Å; F104-L107 WeakPolarHBondContact O-CB 3.34Å; F104-L107 PolarHBondContact O-N 2.92Å; H105-L107 VanDerWaalsContact C-N 3.34Å
108V48.5Very low60.5Low37 Ų3766.3 Ų66.322%0.22435%0.347CS..Hα-helixtrans-90.2-12.6172.4152.30000115.2E39 F104 H105 Q106 D110E39-V108 HydrophobicContact CB-CG2 3.86Å; E39-V108 HydrophobicContact CG-CB 3.6Å; E39-V108 HydrophobicContact CG-CG1 3.86Å; E39-V108 HydrophobicContact CG-CG2 3.38Å; E39-V108 WeakPolarHBondContact OE1-CB 3.44Å; E39-V108 WeakPolarHBondContact OE1-CG2 3.31Å; F104-V108 PolarHBondContact O-N 2.93Å; H105-V108 PolarHBondContact O-N 3.39Å; Q106-V108 VanDerWaalsContact C-N 3.34Å; Q106-V108 PolarHBondContact O-N 3.29Å; V108-D110 HydrophobicContact CG1-CB 4.15Å; V108-D110 PolarHBondContact O-N 3.4Å
109G52.5Low60.5Low63 Ų6368.6 Ų68.665%0.64936%0.36SS*.THydrogen-bonded Turntrans69.426177.400000112.3H105 Q106H105-G109 PolarHBondContact O-N 3.21Å; H105-G109 VanDerWaalsContact O-N 3.14Å; Q106-G109 PolarHBondContact O-N 2.86Å
110D53.9Low60.9Low36 Ų3667.4 Ų67.419%0.19336%0.356CS..  trans-68.9143.7174.8-139.51.6000108.3V108 L112 Y115V108-D110 HydrophobicContact CG1-CB 4.15Å; V108-D110 PolarHBondContact O-N 3.4Å; D110-L112 PolarHBondContact O-N 2.94Å; D110-L112 VanDerWaalsContact O-N 3.12Å; D110-Y115 HydrophobicContact CB-CD2 4.44Å; D110-Y115 HydrophobicContact CB-CE2 3.67Å; D110-Y115 VanDerWaalsContact OD2-CE2 3.28Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.38Å; D110-Y115 PolarHBondContact OD2-OH 3.18Å
111P56.3Low61.4Low80 Ų8067.3 Ų67.352%0.51935%0.352SS..  trans-63.8122.9-17022.7-28.6000110.4K113 R114P111-K113 PolarHBondContact O-N 3.46Å; P111-R114 PolarHBondContact O-N 2.87Å
112L55.2Low61.9Low102 Ų10267.5 Ų67.553%0.53436%0.356SS..G310 helixtrans-45-29.6-179.2-81.5158.2000113.7D110 R114 Y115 A116 L119D110-L112 PolarHBondContact O-N 2.94Å; D110-L112 VanDerWaalsContact O-N 3.12Å; L112-R114 PolarHBondContact O-N 2.66Å; L112-Y115 CarbonylContact O-C 3.59Å; L112-Y115 PolarHBondContact O-N 3.01Å; L112-Y115 VanDerWaalsContact O-N 3.12Å; L112-A116 PolarHBondContact O-N 2.98Å; L112-L119 HydrophobicContact CD2-CD1 4.12Å
113K57.4Low62.5Low199 Ų19969.9 Ų69.987%0.86537%0.367SS*.G310 helixtrans-56.4-30.6176.4-69.8-174.2176-174.90113.8P111P111-K113 PolarHBondContact O-N 3.46Å
114R59Low63.2Low158 Ų15866.8 Ų66.860%0.59636%0.356SS*.G310 helixtrans-81.6-19.8-178.7-155.8164.4-172.7165-1.2113.1P111 L112P111-R114 PolarHBondContact O-N 2.87Å; L112-R114 PolarHBondContact O-N 2.66Å
115Y63.7Low64.1Low30 Ų3065.7 Ų65.712%0.11835%0.352CS..THydrogen-bonded Turntrans-116.70.8-178-54.9-71.9000113.7H105 D110 L112 H117 A118 L119H105-Y115 HydrophobicContact CB-CD2 4Å; H105-Y115 HydrophobicContact CB-CE2 4.32Å; H105-Y115 HydrophobicContact CB-CG 4.11Å; H105-Y115 AromaticContact CD2-CD1 3.56Å; H105-Y115 AromaticContact CD2-CD2 3.63Å; H105-Y115 AromaticContact CD2-CE1 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.34Å; H105-Y115 AromaticContact CD2-CE2 3.18Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.26Å; H105-Y115 AromaticContact CD2-CG 3.8Å; H105-Y115 AromaticContact CD2-CZ 2.87Å; H105-Y115 PolarHBondContact CD2-OH 3.34Å; H105-Y115 VanDerWaalsContact CD2-OH 3.23Å; H105-Y115 AromaticContact CE1-CD1 3.75Å; H105-Y115 AromaticContact CE1-CE1 3.46Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.46Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.49Å; H105-Y115 AromaticContact CG-CD1 3.68Å; H105-Y115 AromaticContact CG-CD2 3.82Å; H105-Y115 AromaticContact CG-CE1 3.74Å; H105-Y115 AromaticContact CG-CE2 3.86Å; H105-Y115 AromaticContact CG-CG 3.73Å; H105-Y115 AromaticContact CG-CZ 3.8Å; H105-Y115 AromaticContact ND1-CD1 3.81Å; H105-Y115 AromaticContact ND1-CE1 3.93Å; H105-Y115 AromaticContact NE2-CD1 3.58Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.44Å; H105-Y115 AromaticContact NE2-CE2 3.87Å; H105-Y115 AromaticContact NE2-CZ 3.04Å; H105-Y115 PolarHBondContact NE2-OH 2.94Å; H105-Y115 VanDerWaalsContact NE2-OH 3.17Å; D110-Y115 HydrophobicContact CB-CD2 4.44Å; D110-Y115 HydrophobicContact CB-CE2 3.67Å; D110-Y115 VanDerWaalsContact OD2-CE2 3.28Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.38Å; D110-Y115 PolarHBondContact OD2-OH 3.18Å; L112-Y115 CarbonylContact O-C 3.59Å; L112-Y115 PolarHBondContact O-N 3.01Å; L112-Y115 VanDerWaalsContact O-N 3.12Å; Y115-H117 PolarHBondContact O-N 3.21Å; Y115-A118 WeakPolarHBondContact O-CA 3.4Å; Y115-A118 WeakPolarHBondContact O-CB 3.39Å; Y115-A118 PolarHBondContact O-N 3.11Å; Y115-L119 PolarHBondContact O-N 3.45Å
116A66.1Low65Low45 Ų4566.3 Ų66.337%0.37236%0.358SS..Hα-helixtrans-47.1-40174.700000111.8L112 L119 V120L112-A116 PolarHBondContact O-N 2.98Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 2.85Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.08Å; A116-V120 PolarHBondContact O-N 3.4Å
117H68.1Low66Low77 Ų7763.4 Ų63.436%0.35635%0.35SS..Hα-helixtrans-61.1-50.6176.2-161.4-118.3000112.8F19 Y115 L119 V120 F121F19-H117 AromaticContact CE1-CE1 3Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.22Å; F19-H117 AromaticContact CE1-ND1 3.88Å; F19-H117 AromaticContact CE1-NE2 3.47Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.27Å; F19-H117 AromaticContact CZ-CE1 3.13Å; F19-H117 WeakPolarHBondContact CZ-CE1 3.34Å; F19-H117 AromaticContact CZ-NE2 3.16Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.34Å; Y115-H117 PolarHBondContact O-N 3.21Å; H117-L119 PolarHBondContact O-N 3.41Å; H117-V120 PolarHBondContact O-N 3.47Å; H117-F121 AromaticContact CD2-CE2 3.68Å; H117-F121 AromaticContact CE1-CE2 3.41Å; H117-F121 VanDerWaalsContact CE1-CE2 3.41Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.32Å; H117-F121 AromaticContact CG-CD2 3.98Å; H117-F121 AromaticContact CG-CE2 3.63Å; H117-F121 AromaticContact ND1-CD2 3.71Å; H117-F121 AromaticContact ND1-CE2 3.38Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.39Å; H117-F121 AromaticContact NE2-CE2 3.54Å; H117-F121 WeakPolarHBondContact O-CD2 3.42Å; H117-F121 PolarHBondContact O-N 2.81Å
118A67.6Low67Low15 Ų1562.5 Ų62.512%0.12434%0.343CS..Hα-helixtrans-60.8-34.317600000112.3M98 Y115 G122M98-A118 HydrophobicContact CE-CB 3.92Å; M98-A118 HydrophobicContact SD-CB 4.4Å; Y115-A118 WeakPolarHBondContact O-CA 3.4Å; Y115-A118 WeakPolarHBondContact O-CB 3.39Å; Y115-A118 PolarHBondContact O-N 3.11Å; A118-G122 PolarHBondContact O-N 2.87Å
119L70.8Confident68.2Low55 Ų5561.7 Ų61.729%0.28834%0.338SS..Hα-helixtrans-66.3-48.4176.4-134.7162.9000111.5L102 L112 Y115 A116 H117 F121 G122 I123L102-L119 HydrophobicContact CD1-CB 4.02Å; L102-L119 HydrophobicContact CD1-CD1 3.94Å; L102-L119 HydrophobicContact CD1-CG 3.62Å; L102-L119 HydrophobicContact CD2-CD1 4.32Å; L102-L119 HydrophobicContact CD2-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CG 3.75Å; L102-L119 HydrophobicContact CG-CG 4.3Å; L112-L119 HydrophobicContact CD2-CD1 4.12Å; Y115-L119 PolarHBondContact O-N 3.45Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 2.85Å; H117-L119 PolarHBondContact O-N 3.41Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.93Å; L119-G122 PolarHBondContact O-N 3.49Å; L119-I123 HydrophobicContact CD2-CD1 3.69Å; L119-I123 HydrophobicContact CD2-CG1 4.26Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.43Å
120V75.9Confident69.2Low81 Ų8163.5 Ų63.549%0.49133%0.332SS..Hα-helixtrans-59.4-44.1175.2171.90000110.4A116 H117 I123 L124A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.08Å; A116-V120 PolarHBondContact O-N 3.4Å; H117-V120 PolarHBondContact O-N 3.47Å; V120-I123 PolarHBondContact O-N 3Å; V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 VanDerWaalsContact O-CG 3.27Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.41Å
121F74.9Confident70Confident24 Ų2464.2 Ų64.211%0.10534%0.335CS..Hα-helixtrans-64.6-41.6175.6-78.5-66000113.4L16 F19 F20 H117 L119 I123 L124 L125L16-F121 HydrophobicContact CD2-CD1 3.61Å; L16-F121 HydrophobicContact CD2-CE1 3.63Å; F19-F121 HydrophobicContact CB-CE1 4.31Å; F19-F121 HydrophobicContact CD1-CD1 4.29Å; F19-F121 HydrophobicContact CD1-CD2 4.3Å; F19-F121 AromaticContact CD1-CE1 3.41Å; F19-F121 HydrophobicContact CD1-CE1 3.41Å; F19-F121 VanDerWaalsContact CD1-CE1 3.41Å; F19-F121 AromaticContact CD1-CE2 3.5Å; F19-F121 HydrophobicContact CD1-CE2 3.5Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.21Å; F19-F121 HydrophobicContact CE1-CD2 4.11Å; F19-F121 AromaticContact CE1-CE1 3.93Å; F19-F121 HydrophobicContact CE1-CE1 3.93Å; F19-F121 AromaticContact CE1-CE2 3.13Å; F19-F121 HydrophobicContact CE1-CE2 3.13Å; F19-F121 AromaticContact CE1-CZ 3.02Å; F19-F121 HydrophobicContact CE1-CZ 3.02Å; F19-F121 HydrophobicContact CE2-CZ 4.22Å; F19-F121 AromaticContact CG-CE1 3.88Å; F19-F121 HydrophobicContact CG-CE1 3.88Å; F19-F121 AromaticContact CG-CZ 3.65Å; F19-F121 HydrophobicContact CG-CZ 3.65Å; F19-F121 AromaticContact CZ-CE2 3.91Å; F19-F121 HydrophobicContact CZ-CE2 3.91Å; F19-F121 AromaticContact CZ-CZ 3.68Å; F19-F121 HydrophobicContact CZ-CZ 3.68Å; F20-F121 HydrophobicContact CD2-CD1 4.39Å; F20-F121 HydrophobicContact CE2-CB 3.8Å; F20-F121 AromaticContact CE2-CD1 3.93Å; F20-F121 HydrophobicContact CE2-CD1 3.93Å; F20-F121 HydrophobicContact CE2-CG 4.03Å; F20-F121 HydrophobicContact CZ-CB 3.91Å; F20-F121 HydrophobicContact CZ-CG 4.47Å; H117-F121 AromaticContact CD2-CE2 3.68Å; H117-F121 AromaticContact CE1-CE2 3.41Å; H117-F121 VanDerWaalsContact CE1-CE2 3.41Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.32Å; H117-F121 AromaticContact CG-CD2 3.98Å; H117-F121 AromaticContact CG-CE2 3.63Å; H117-F121 AromaticContact ND1-CD2 3.71Å; H117-F121 AromaticContact ND1-CE2 3.38Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.39Å; H117-F121 AromaticContact NE2-CE2 3.54Å; H117-F121 WeakPolarHBondContact O-CD2 3.42Å; H117-F121 PolarHBondContact O-N 2.81Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.93Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.39Å; F121-L124 PolarHBondContact O-N 2.7Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 WeakPolarHBondContact O-CG 3.23Å; F121-L125 PolarHBondContact O-N 2.96Å
122G76Confident70.6Confident14 Ų1461.3 Ų61.314%0.14432%0.318CS..Hα-helixtrans-60.4-41.317500000112.3A118 L119 T126A118-G122 PolarHBondContact O-N 2.87Å; L119-G122 PolarHBondContact O-N 3.49Å; G122-T126 WeakPolarHBondContact O-CB 3.38Å; G122-T126 PolarHBondContact O-N 3.31Å; G122-T126 PolarHBondContact O-OG1 2.82Å
123I77.9Confident71.1Confident93 Ų9362.9 Ų62.948%0.47732%0.317SS..Hα-helixtrans-65.9-47.1175.7-66.5165.4000110.6L119 V120 F121 L125 T126 C127L119-I123 HydrophobicContact CD2-CD1 3.69Å; L119-I123 HydrophobicContact CD2-CG1 4.26Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.43Å; V120-I123 PolarHBondContact O-N 3Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.39Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 2.96Å; I123-T126 CarbonylContact O-C 3.57Å; I123-T126 WeakPolarHBondContact O-CB 3.42Å; I123-T126 PolarHBondContact O-N 3.48Å; I123-T126 VanDerWaalsContact O-N 3.11Å; I123-C127 PolarHBondContact O-N 3.39Å; I123-C127 PolarHBondContact O-SG 2.88Å; I123-C127 VanDerWaalsContact O-SG 3.39Å
124L80.7Confident71.5Confident64 Ų6457.8 Ų57.834%0.33530%0.296SS..Hα-helixtrans-61.1-40.7179-70.7170.3000112.6L16 V120 F121 T126 C127 R128L16-L124 HydrophobicContact CD1-CB 4.34Å; L16-L124 HydrophobicContact CD2-CB 4.14Å; L16-L124 HydrophobicContact CD2-CD1 4Å; V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 VanDerWaalsContact O-CG 3.27Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.41Å; F121-L124 PolarHBondContact O-N 2.7Å; L124-T126 VanDerWaalsContact C-N 3.35Å; L124-C127 PolarHBondContact O-N 2.85Å; L124-R128 WeakPolarHBondContact O-CB 3.39Å; L124-R128 PolarHBondContact O-N 2.83Å
125L76.2Confident71.4Confident0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-64.1-39.7173.3-77.1167000112.1F20 L79 N91 L94 M98 F121 I123 R128 L129F20-L125 HydrophobicContact CE2-CD1 3.57Å; F20-L125 HydrophobicContact CE2-CG 4.19Å; F20-L125 HydrophobicContact CZ-CD1 3.5Å; L79-L125 HydrophobicContact CD2-CD2 4.11Å; N91-L125 PolarHBondContact ND2-O 2.91Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.27Å; L94-L125 HydrophobicContact CB-CD1 4.28Å; L94-L125 HydrophobicContact CD2-CD1 4.08Å; M98-L125 HydrophobicContact CG-CD1 4.22Å; F121-L125 WeakPolarHBondContact O-CB 3.35Å; F121-L125 WeakPolarHBondContact O-CG 3.23Å; F121-L125 PolarHBondContact O-N 2.96Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 2.96Å; L125-R128 PolarHBondContact O-N 3.2Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 PolarHBondContact O-N 3.41Å
126T78.2Confident71.1Confident48 Ų4857.6 Ų57.629%0.29431%0.314SS..Hα-helixtrans-66.3-45.4176.9-560000110.9L95 G122 I123 L124 R128 L129 L130L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.13Å; G122-T126 WeakPolarHBondContact O-CB 3.38Å; G122-T126 PolarHBondContact O-N 3.31Å; G122-T126 PolarHBondContact O-OG1 2.82Å; I123-T126 CarbonylContact O-C 3.57Å; I123-T126 WeakPolarHBondContact O-CB 3.42Å; I123-T126 PolarHBondContact O-N 3.48Å; I123-T126 VanDerWaalsContact O-N 3.11Å; L124-T126 VanDerWaalsContact C-N 3.35Å; T126-R128 VanDerWaalsContact C-N 3.34Å; T126-R128 PolarHBondContact O-N 3.46Å; T126-L129 PolarHBondContact O-N 3.09Å; T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 WeakPolarHBondContact O-CB 3.15Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 2.95Å
127C74.1Confident70.3Confident60 Ų6062.3 Ų62.341%0.40533%0.333SS..Hα-helixtrans-57.7-47.6173-71.80000110.8I123 L124 L129 L130 I131I123-C127 PolarHBondContact O-N 3.39Å; I123-C127 PolarHBondContact O-SG 2.88Å; I123-C127 VanDerWaalsContact O-SG 3.39Å; L124-C127 PolarHBondContact O-N 2.85Å; C127-L129 VanDerWaalsContact C-N 3.32Å; C127-L129 PolarHBondContact O-N 3.36Å; C127-L130 PolarHBondContact O-N 2.61Å; C127-I131 WeakPolarHBondContact O-CB 3.39Å; C127-I131 WeakPolarHBondContact O-CD1 3.45Å; C127-I131 WeakPolarHBondContact O-CG1 3.5Å; C127-I131 PolarHBondContact O-N 3.24Å
128R74.8Confident69.5Low31 Ų3162 Ų6212%0.11733%0.329CS..Hα-helixtrans-61.8-39177.1-168.8-94.6173.3-145.9-20.7112.3I9 S13 D88 L124 L125 T126 A132I9-R128 HydrophobicContact CG2-CG 4.08Å; S13-R128 PolarHBondContact OG-NE 3.33Å; D88-R128 IonicContact OD1-NH1 2.67Å; D88-R128 PolarHBondContact OD1-NH1 3.33Å; L124-R128 WeakPolarHBondContact O-CB 3.39Å; L124-R128 PolarHBondContact O-N 2.83Å; L125-R128 PolarHBondContact O-N 3.2Å; T126-R128 VanDerWaalsContact C-N 3.34Å; T126-R128 PolarHBondContact O-N 3.46Å; R128-A132 WeakPolarHBondContact O-CB 3.29Å; R128-A132 PolarHBondContact O-N 2.91Å
129L73.7Confident68.7Low20 Ų2066.6 Ų66.611%0.10536%0.358CS..Hα-helixtrans-67-46.2176.6-16772.3000111.6N91 F92 L95 L125 T126 C127 I131 A132 R133N91-L129 HydrophobicContact CB-CD1 4.14Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 3.48Å; N91-L129 WeakPolarHBondContact ND2-CD1 3.24Å; F92-L129 HydrophobicContact CD2-CD2 4.22Å; L95-L129 HydrophobicContact CD1-CB 4.33Å; L95-L129 HydrophobicContact CD1-CD2 3.71Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 PolarHBondContact O-N 3.41Å; T126-L129 PolarHBondContact O-N 3.09Å; C127-L129 VanDerWaalsContact C-N 3.32Å; C127-L129 PolarHBondContact O-N 3.36Å; L129-I131 VanDerWaalsContact C-N 3.33Å; L129-I131 PolarHBondContact O-N 2.86Å; L129-A132 PolarHBondContact O-N 2.79Å; L129-R133 WeakPolarHBondContact O-CG 3.33Å; L129-R133 PolarHBondContact O-N 3.34Å
130L72.8Confident67.7Low101 Ų10171.6 Ų71.653%0.52938%0.379SS..Hα-helixtrans-61.1-44178.2-78.7174000110.7T126 C127 R133 Q134T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 WeakPolarHBondContact O-CB 3.15Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 2.95Å; C127-L130 PolarHBondContact O-N 2.61Å; L130-R133 PolarHBondContact O-N 3.36Å; L130-Q134 WeakPolarHBondContact O-CB 3.18Å; L130-Q134 VanDerWaalsContact O-CG 3.29Å; L130-Q134 WeakPolarHBondContact O-CG 3.46Å; L130-Q134 PolarHBondContact O-N 3.22Å
131I71.9Confident66.4Low51 Ų5177.1 Ų77.126%0.26239%0.391SS..Hα-helixtrans-63.3-44.4175.8-64.7162.4000110.3I9 C127 L129 R133 Q134 S135I9-I131 HydrophobicContact CD1-CG2 3.4Å; I9-I131 HydrophobicContact CG1-CG2 4.1Å; C127-I131 WeakPolarHBondContact O-CB 3.39Å; C127-I131 WeakPolarHBondContact O-CD1 3.45Å; C127-I131 WeakPolarHBondContact O-CG1 3.5Å; C127-I131 PolarHBondContact O-N 3.24Å; L129-I131 VanDerWaalsContact C-N 3.33Å; L129-I131 PolarHBondContact O-N 2.86Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 3.4Å; I131-Q134 PolarHBondContact O-N 3.41Å; I131-S135 WeakPolarHBondContact O-CB 3.42Å; I131-S135 PolarHBondContact O-N 2.88Å; I131-S135 PolarHBondContact O-OG 2.96Å
132A67.6Low65.3Low19 Ų1978.5 Ų78.516%0.15740%0.398CS..Hα-helixtrans-61.2-38.1176.800000112.8R128 L129 S135R128-A132 WeakPolarHBondContact O-CB 3.29Å; R128-A132 PolarHBondContact O-N 2.91Å; L129-A132 PolarHBondContact O-N 2.79Å; A132-S135 WeakPolarHBondContact O-CB 3.37Å
133R66.9Low64.1Low136 Ų13681.6 Ų81.651%0.51341%0.412SS..Hα-helixtrans-71.7-43174.8-70.9-65.9-178.395.2-1112.6L129 L130 I131 S135 D136 D137L129-R133 WeakPolarHBondContact O-CG 3.33Å; L129-R133 PolarHBondContact O-N 3.34Å; L130-R133 PolarHBondContact O-N 3.36Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 3.4Å; R133-S135 PolarHBondContact O-N 3.01Å; R133-D136 WeakPolarHBondContact O-CB 3.44Å; R133-D136 PolarHBondContact O-N 3.4Å; R133-D136 VanDerWaalsContact O-N 3.09Å; R133-D137 PolarHBondContact O-N 3.29Å
134Q64.6Low62.9Low92 Ų9280.7 Ų80.743%0.4341%0.41SS..Hα-helixtrans-64.1-30.3175.3-76-179.6-39.900112.5L130 I131 D136 D137 R138L130-Q134 WeakPolarHBondContact O-CB 3.18Å; L130-Q134 VanDerWaalsContact O-CG 3.29Å; L130-Q134 WeakPolarHBondContact O-CG 3.46Å; L130-Q134 PolarHBondContact O-N 3.22Å; I131-Q134 PolarHBondContact O-N 3.41Å; Q134-D136 PolarHBondContact O-N 2.95Å; Q134-D137 PolarHBondContact O-N 3.47Å; Q134-R138 WeakPolarHBondContact O-CB 3.34Å; Q134-R138 PolarHBondContact O-N 2.73Å
135S57.3Low61.5Low70 Ų7086.4 Ų86.449%0.4943%0.428SS..Hα-helixtrans-63.9-30.7174.2-50.60000112.2I131 A132 R133I131-S135 WeakPolarHBondContact O-CB 3.42Å; I131-S135 PolarHBondContact O-N 2.88Å; I131-S135 PolarHBondContact O-OG 2.96Å; A132-S135 WeakPolarHBondContact O-CB 3.37Å; R133-S135 PolarHBondContact O-N 3.01Å
136D56.5Low60.5Low114 Ų11490 Ų9061%0.6144%0.444SS*.Hα-helixtrans-77.4-34.7-179.8-146-117.3000111R85 R133 Q134R85-D136 IonicContact NH2-OD2 3.6Å; R133-D136 WeakPolarHBondContact O-CB 3.44Å; R133-D136 PolarHBondContact O-N 3.4Å; R133-D136 VanDerWaalsContact O-N 3.09Å; Q134-D136 PolarHBondContact O-N 2.95Å
137D50.8Low59.4Low143 Ų14394 Ų9477%0.76546%0.46SS*.Hα-helixtrans-87.1-17.3178.3-77-59.3000114.6R133 Q134R133-D137 PolarHBondContact O-N 3.29Å; Q134-D137 PolarHBondContact O-N 3.47Å
138R51.2Low58.6Low72 Ų7296.4 Ų96.427%0.27247%0.468SS..  trans-144.477.2-168.9-172.4169.6154.2-130.97.4112.6Q134 E140 R141 E142Q134-R138 WeakPolarHBondContact O-CB 3.34Å; Q134-R138 PolarHBondContact O-N 2.73Å; R138-E140 PolarHBondContact O-N 3.39Å; R138-R141 HydrophobicContact CG-CB 3.77Å; R138-R141 PolarHBondContact NH2-O 2.61Å; R138-E142 IonicContact CZ-OE1 2.96Å; R138-E142 IonicContact NH1-OE1 3.58Å; R138-E142 PolarHBondContact NH1-OE1 2.71Å; R138-E142 IonicContact NH1-OE2 3.53Å; R138-E142 IonicContact NH2-OE1 3.52Å
139P49.5Very low58Low111 Ų111101.4 Ų101.472%0.72149%0.492SS*.SBendtrans-68.6-15.3162.625.6-30.2000113
140E50.8Low57.6Low160 Ų160105.6 Ų105.675%0.74851%0.514SS*.SBendtrans-113.8-26.7-161.9-143.1178.6100.500117R138 T144R138-E140 PolarHBondContact O-N 3.39Å; E140-T144 PolarHBondContact O-OG1 3.48Å; E140-T144 VanDerWaalsContact O-OG1 3.05Å
141R48.5Very low57.2Low197 Ų197105.7 Ų105.774%0.74352%0.515SS*.THydrogen-bonded Turntrans-100.3-8.7-168.2-77.7-166.2-144.7-1596.9115.8R138R138-R141 HydrophobicContact CG-CB 3.77Å; R138-R141 PolarHBondContact NH2-O 2.61Å
142E51.3Low56.9Low52 Ų52106.5 Ų106.524%0.24352%0.52CS..THydrogen-bonded Turntrans-102.5-34.9-176.5-143.8156.2-126.300113.4R5 R138 T144 R145 E146R5-E142 IonicContact CZ-OE2 3.59Å; R5-E142 IonicContact NH2-OE2 3.18Å; R5-E142 PolarHBondContact NH2-OE2 3.17Å; R138-E142 IonicContact CZ-OE1 2.96Å; R138-E142 IonicContact NH1-OE1 3.58Å; R138-E142 PolarHBondContact NH1-OE1 2.71Å; R138-E142 IonicContact NH1-OE2 3.53Å; R138-E142 IonicContact NH2-OE1 3.52Å; E142-T144 PolarHBondContact O-N 3.11Å; E142-R145 PolarHBondContact O-N 3.01Å; E142-E146 PolarHBondContact O-N 3.38Å; E142-E146 VanDerWaalsContact O-N 3.11Å
143D52.1Low56.8Low80 Ų80112 Ų11243%0.42854%0.542SS..Hα-helixtrans-55.8-43.5168.6-113.7-32000110.2R145 E146 E147D143-R145 PolarHBondContact O-N 2.83Å; D143-E146 PolarHBondContact O-N 2.7Å; D143-E147 VanDerWaalsContact O-CB 3.27Å; D143-E147 WeakPolarHBondContact O-CB 3.38Å; D143-E147 WeakPolarHBondContact O-CG 3.02Å; D143-E147 PolarHBondContact O-N 2.89Å
144T50.9Low56.7Low74 Ų74111.7 Ų111.745%0.45455%0.547SS..Hα-helixtrans-60-32.2175.8-41.60000113.1E140 E142 L148E140-T144 PolarHBondContact O-OG1 3.48Å; E140-T144 VanDerWaalsContact O-OG1 3.05Å; E142-T144 PolarHBondContact O-N 3.11Å; T144-L148 HydrophobicContact CG2-CD1 3.73Å; T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CD1 3.47Å; T144-L148 PolarHBondContact O-N 3.16Å
145R51.8Low56.7Low184 Ų184113 Ų11369%0.69455%0.548SS*.Hα-helixtrans-84.8-34.6-174.2-145.2179.7-169.7-137.13.2112.1E142 D143 Q149E142-R145 PolarHBondContact O-N 3.01Å; D143-R145 PolarHBondContact O-N 2.83Å; R145-Q149 WeakPolarHBondContact O-CG 3.27Å; R145-Q149 PolarHBondContact O-N 2.84Å
146E54.8Low56.8Low76 Ų76113.7 Ų113.736%0.35555%0.546SS..Hα-helixtrans-78.1-38.2172-79.5-170.6173.800112.4R5 E142 D143 L148 Q149 I150R5-E146 VanDerWaalsContact CD-OE2 3.26Å; R5-E146 WeakPolarHBondContact CD-OE2 3.27Å; R5-E146 WeakPolarHBondContact CG-OE2 3.35Å; R5-E146 IonicContact CZ-OE1 2.82Å; R5-E146 IonicContact CZ-OE2 3.52Å; R5-E146 IonicContact NE-OE2 2.7Å; R5-E146 IonicContact NH1-OE1 3.62Å; R5-E146 PolarHBondContact NH1-OE1 3.02Å; R5-E146 IonicContact NH1-OE2 3.51Å; R5-E146 PolarHBondContact NH1-OE2 3.05Å; E142-E146 PolarHBondContact O-N 3.38Å; E142-E146 VanDerWaalsContact O-N 3.11Å; D143-E146 PolarHBondContact O-N 2.7Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.43Å; E146-Q149 PolarHBondContact O-N 3.19Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.26Å; E146-I150 PolarHBondContact O-N 3.19Å
147E55.7Low57Low132 Ų132115 Ų11562%0.61755%0.546SS*.Hα-helixtrans-62.4-39.7170.3-78.6-15610400111.5D143 Q149 I150 N151D143-E147 VanDerWaalsContact O-CB 3.27Å; D143-E147 WeakPolarHBondContact O-CB 3.38Å; D143-E147 WeakPolarHBondContact O-CG 3.02Å; D143-E147 PolarHBondContact O-N 2.89Å; E147-Q149 VanDerWaalsContact C-N 3.32Å; E147-Q149 PolarHBondContact O-N 2.96Å; E147-I150 PolarHBondContact O-N 2.85Å; E147-N151 WeakPolarHBondContact O-CB 3.28Å; E147-N151 PolarHBondContact O-N 3.15Å
148L57.9Low57.5Low110 Ų110113.2 Ų113.258%0.57654%0.54SS*.Hα-helixtrans-61.8-40.1172.7-104.8102.5000111.7T144 E146 D152T144-L148 HydrophobicContact CG2-CD1 3.73Å; T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CD1 3.47Å; T144-L148 PolarHBondContact O-N 3.16Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.43Å; L148-D152 VanDerWaalsContact O-CB 3.23Å; L148-D152 WeakPolarHBondContact O-CB 3.06Å; L148-D152 PolarHBondContact O-N 3.03Å
149Q61.7Low57.7Low135 Ų135117.1 Ų117.163%0.63156%0.559SS**Hα-helixtrans-71.3-37.5-179.8-77-169.2-30.500112.7R145 E146 E147 Q153R145-Q149 WeakPolarHBondContact O-CG 3.27Å; R145-Q149 PolarHBondContact O-N 2.84Å; E146-Q149 PolarHBondContact O-N 3.19Å; E146-Q149 VanDerWaalsContact O-N 3.16Å; E147-Q149 VanDerWaalsContact C-N 3.32Å; E147-Q149 PolarHBondContact O-N 2.96Å; Q149-Q153 VanDerWaalsContact O-CB 3.28Å; Q149-Q153 WeakPolarHBondContact O-CB 3.42Å; Q149-Q153 PolarHBondContact O-N 3.35Å; Q149-Q153 VanDerWaalsContact O-N 3.15Å
150I64.9Low57.9Low109 Ų109120.3 Ų120.356%0.55956%0.564SS**Hα-helixtrans-71.5-43.7177.1-64165.9000110.4E146 E147 Q153 E154E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.26Å; E146-I150 PolarHBondContact O-N 3.19Å; E147-I150 PolarHBondContact O-N 2.85Å; I150-Q153 PolarHBondContact O-N 3.45Å; I150-E154 PolarHBondContact O-N 3.44Å
151N64Low57.8Low103 Ų103120.2 Ų120.255%0.55158%0.581SS**Hα-helixtrans-66.4-42.3178.1-171.41.9000111.8E147 Q153 E154 R155E147-N151 WeakPolarHBondContact O-CB 3.28Å; E147-N151 PolarHBondContact O-N 3.15Å; N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact O-N 2.86Å; N151-E154 PolarHBondContact O-N 3.3Å; N151-R155 VanDerWaalsContact O-CB 3.31Å; N151-R155 WeakPolarHBondContact O-CB 3.31Å; N151-R155 PolarHBondContact O-N 2.92Å
152D66.4Low58.3Low68 Ų68116.4 Ų116.436%0.36457%0.573SS.*Hα-helixtrans-68.3-31.8177.6-141.3-99.8000111.7L148 R155 N156L148-D152 VanDerWaalsContact O-CB 3.23Å; L148-D152 WeakPolarHBondContact O-CB 3.06Å; L148-D152 PolarHBondContact O-N 3.03Å; D152-R155 IonicContact OD2-CZ 2.71Å; D152-R155 IonicContact OD2-NH1 3.77Å; D152-R155 PolarHBondContact OD2-NH1 3.06Å; D152-R155 IonicContact OD2-NH2 3.8Å; D152-N156 WeakPolarHBondContact O-CB 3.23Å; D152-N156 PolarHBondContact O-N 3.42Å
153Q65.7Low58.6Low134 Ų134119.7 Ų119.763%0.62659%0.59SS**Hα-helixtrans-69.9-40.4173.7-163.6-177.2-66.100112.6Q149 I150 N151 K157Q149-Q153 VanDerWaalsContact O-CB 3.28Å; Q149-Q153 WeakPolarHBondContact O-CB 3.42Å; Q149-Q153 PolarHBondContact O-N 3.35Å; Q149-Q153 VanDerWaalsContact O-N 3.15Å; I150-Q153 PolarHBondContact O-N 3.45Å; N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact O-N 2.86Å; Q153-K157 PolarHBondContact O-N 2.82Å
154E65.6Low59Low130 Ų130121.9 Ų121.961%0.60760%0.6SS**Hα-helixtrans-65.8-44.7172-84.2-145.792.700111.9I150 N151 N156 K157 V158I150-E154 PolarHBondContact O-N 3.44Å; N151-E154 PolarHBondContact O-N 3.3Å; E154-N156 VanDerWaalsContact C-N 3.26Å; E154-N156 PolarHBondContact O-N 3.2Å; E154-K157 PolarHBondContact O-N 3.02Å; E154-V158 WeakPolarHBondContact O-CG2 3.46Å; E154-V158 PolarHBondContact O-N 3.34Å
155R62.9Low59.5Low120 Ų120124.8 Ų124.845%0.45361%0.608SS.*Hα-helixtrans-63.1-33.2-179.9-144.9-173.177.6-125.8-7.7112.2N151 D152 K159N151-R155 VanDerWaalsContact O-CB 3.31Å; N151-R155 WeakPolarHBondContact O-CB 3.31Å; N151-R155 PolarHBondContact O-N 2.92Å; D152-R155 IonicContact OD2-CZ 2.71Å; D152-R155 IonicContact OD2-NH1 3.77Å; D152-R155 PolarHBondContact OD2-NH1 3.06Å; D152-R155 IonicContact OD2-NH2 3.8Å; R155-K159 WeakPolarHBondContact O-CG 3.47Å; R155-K159 PolarHBondContact O-N 3.46Å
156N60.5Low60Low84 Ų84121.1 Ų121.145%0.44960%0.603SS.*Hα-helixtrans-72.8-33.2173.1-91.3-12.6000113.3D152 E154 Q160D152-N156 WeakPolarHBondContact O-CB 3.23Å; D152-N156 PolarHBondContact O-N 3.42Å; E154-N156 VanDerWaalsContact C-N 3.26Å; E154-N156 PolarHBondContact O-N 3.2Å; N156-Q160 PolarHBondContact O-N 3.4Å
157K60.9Low60.3Low142 Ų142124.1 Ų124.162%0.61762%0.619SS**Hα-helixtrans-67.1-40.2173.6-80.4-167.4173.5-169.20112.6Q153 E154 K159 Q160 S161Q153-K157 PolarHBondContact O-N 2.82Å; E154-K157 PolarHBondContact O-N 3.02Å; K157-K159 VanDerWaalsContact C-N 3.31Å; K157-K159 PolarHBondContact O-N 3.47Å; K157-Q160 PolarHBondContact O-N 3.33Å; K157-S161 PolarHBondContact O-OG 3.29Å
158V60.9Low60.6Low105 Ų105123.5 Ų123.564%0.63662%0.619SS**Hα-helixtrans-69-29.2178.6176.40000112.2E154E154-V158 WeakPolarHBondContact O-CG2 3.46Å; E154-V158 PolarHBondContact O-N 3.34Å
159K55.1Low60.8Low154 Ų154124.5 Ų124.567%0.6762%0.623SS**Hα-helixtrans-80.1-13.6176.6-77.6-173.3174.9-1580114.7R155 K157R155-K159 WeakPolarHBondContact O-CG 3.47Å; R155-K159 PolarHBondContact O-N 3.46Å; K157-K159 VanDerWaalsContact C-N 3.31Å; K157-K159 PolarHBondContact O-N 3.47Å
160Q54.2Low60.8Low177 Ų177123.7 Ų123.783%0.82762%0.622SS**THydrogen-bonded Turntrans-101.1-0.7178.8-78.3-171.7-22.400113.6N156 K157N156-Q160 PolarHBondContact O-N 3.4Å; K157-Q160 PolarHBondContact O-N 3.33Å
161S48.2Very low60.4Low158 Ų158125 Ų125100%1.10563%0.628SS**  trans-105.30170.4-56.90000110.2K157K157-S161 PolarHBondContact O-OG 3.29Å

Retrieved 161 of 161 residues in 159 ms (Link to these results)

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