A0A087YDQ5_POEFO Loading...

Nitrite reductase

Monomeric globin with a bis-histidyl six-coordinate heme-iron atom through which it can bind dioxygen, carbon monoxide and nitric oxide. Could help transport oxygen and increase its availability to the metabolically active neuronal tissues, though its low quantity in tissues as well as its high affinity for dioxygen, which may limit its oxygen-releasing ability, argue against it. The ferrous/deoxygenated form exhibits a nitrite reductase activity and it could produce nitric oxide which in turn inhibits cellular respiration in response to hypoxia. In its ferrous/deoxygenated state, it may also exhibit GDI (Guanine nucleotide Dissociation Inhibitor) activity toward heterotrimeric G-alpha proteins, thereby regulating signal transduction to facilitate neuroprotective responses in the wake of hypoxia and associated oxidative stress.

AlphaFold DB , UniProt , Accession A0A087YDQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M43.7Very low83.5Confident239 Ų23995.8 Ų95.8100%1.17750%0.504SS*.  0118.20-149-175.8-65.700106.1G3M1-G3 PolarHBondContact O-N 3.11Å
2M55.3Low84.8Confident73 Ų7391.6 Ų91.636%0.3648%0.482SS..PPolyproline II helixtrans-62.4124.3171.8-79.4175.1-85.700106.8E4 E89 I142 V146M2-E4 PolarHBondContact O-N 2.94Å; M2-E89 WeakPolarHBondContact CE-OE2 3.46Å; M2-I142 HydrophobicContact CB-CG2 4.46Å; M2-I142 HydrophobicContact CG-CG2 4.3Å; M2-I142 HydrophobicContact SD-CG2 4.01Å; M2-V146 HydrophobicContact SD-CG2 3.55Å; M2-V146 VanDerWaalsContact SD-CG2 3.55Å
3G64.6Low85.9Confident54 Ų5484.5 Ų84.556%0.55745%0.445SS*.PPolyproline II helixtrans-62.9132.1176.200000109.1M1 I142M1-G3 PolarHBondContact O-N 3.11Å; G3-I142 WeakPolarHBondContact O-CD1 3.39Å
4E81.1Confident86.8Confident192 Ų19284.6 Ų84.690%0.89744%0.436SS*.PPolyproline II helixtrans-77.8139.9176.5-71.2-176.617100110.5M2M2-E4 PolarHBondContact O-N 2.94Å
5L92.1Very high87.5Confident14 Ų1481.5 Ų81.57%0.07343%0.434CS..PPolyproline II helixtrans-74136.3171.7-67.5169.6000109.7D9 K10 I13 L82 L85 N138 M139 I142L5-D9 HydrophobicContact CB-CB 4.26Å; L5-D9 HydrophobicContact CD2-CB 4.2Å; L5-K10 HydrophobicContact CB-CG 3.95Å; L5-K10 WeakPolarHBondContact O-CE 3.35Å; L5-I13 HydrophobicContact CD1-CD1 4.06Å; L5-L82 HydrophobicContact CD1-CD2 3.43Å; L5-L82 VanDerWaalsContact CD1-CD2 3.43Å; L5-L85 HydrophobicContact CD1-CD1 4.11Å; L5-N138 HydrophobicContact CD2-CB 3.51Å; L5-M139 HydrophobicContact CD1-CB 3.88Å; L5-M139 HydrophobicContact CD1-CG 4.05Å; L5-M139 HydrophobicContact CD2-CB 4.45Å; L5-I142 HydrophobicContact CD1-CD1 4.3Å; L5-I142 HydrophobicContact CD2-CD1 4.25Å; L5-I142 HydrophobicContact CG-CD1 3.9Å
6S95.4Very high88.2Confident52 Ų5277 Ų7736%0.36441%0.41SS..PPolyproline II helixtrans-66.8158.3174720000111K8 D9 K10S6-K8 PolarHBondContact O-N 3.19Å; S6-D9 WeakPolarHBondContact CB-OD2 3.15Å; S6-D9 PolarHBondContact N-OD2 3.43Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 WeakPolarHBondContact O-CB 3.38Å; S6-D9 PolarHBondContact O-N 3.07Å; S6-D9 PolarHBondContact OG-N 3.46Å; S6-D9 VanDerWaalsContact OG-N 3.1Å; S6-D9 PolarHBondContact OG-OD2 2.62Å; S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 2.92Å
7V96.3Very high88.8Confident104 Ų10472.9 Ų72.963%0.6339%0.388SS*.Hα-helixtrans-52.5-42.6174.3176.70000110.9D9 K10 E11V7-D9 PolarHBondContact O-N 3.28Å; V7-K10 PolarHBondContact O-N 2.9Å; V7-E11 WeakPolarHBondContact O-CG 3.47Å; V7-E11 PolarHBondContact O-N 2.9Å
8K96.8Very high89.3Confident137 Ų13777.4 Ų77.460%0.59641%0.406SS*.Hα-helixtrans-63.9-40.4178-173.2176.7-179.2178.80112.6S6 K10 E11 L12S6-K8 PolarHBondContact O-N 3.19Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K8-E11 PolarHBondContact O-N 3.25Å; K8-L12 HydrophobicContact CG-CD1 4.33Å; K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.31Å; K8-L12 PolarHBondContact O-N 3.04Å
9D97.4Very high89.8Confident29 Ų2977.5 Ų77.516%0.15541%0.414CS..Hα-helixtrans-62.7-44.6176.2-64.3-38.5000110.5L5 S6 V7 E11 L12 I13 A135L5-D9 HydrophobicContact CB-CB 4.26Å; L5-D9 HydrophobicContact CD2-CB 4.2Å; S6-D9 WeakPolarHBondContact CB-OD2 3.15Å; S6-D9 PolarHBondContact N-OD2 3.43Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 WeakPolarHBondContact O-CB 3.38Å; S6-D9 PolarHBondContact O-N 3.07Å; S6-D9 PolarHBondContact OG-N 3.46Å; S6-D9 VanDerWaalsContact OG-N 3.1Å; S6-D9 PolarHBondContact OG-OD2 2.62Å; V7-D9 PolarHBondContact O-N 3.28Å; D9-E11 PolarHBondContact O-N 2.8Å; D9-L12 PolarHBondContact O-N 3.48Å; D9-I13 WeakPolarHBondContact O-CD1 3.41Å; D9-I13 WeakPolarHBondContact O-CG1 3.34Å; D9-I13 PolarHBondContact O-N 2.84Å; D9-A135 HydrophobicContact CB-CB 3.76Å
10K98Very high90.2Very high35 Ų3574.4 Ų74.415%0.15240%0.397CS..Hα-helixtrans-61.6-42.9178.9-61.4176.7-178.4-178.20111.9L5 S6 V7 K8 I13 R14 L82 D83L5-K10 HydrophobicContact CB-CG 3.95Å; L5-K10 WeakPolarHBondContact O-CE 3.35Å; S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 2.92Å; V7-K10 PolarHBondContact O-N 2.9Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K10-I13 PolarHBondContact O-N 3.02Å; K10-R14 WeakPolarHBondContact O-CB 3.17Å; K10-R14 VanDerWaalsContact O-CG 3.31Å; K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 3.48Å; K10-L82 HydrophobicContact CB-CB 4.4Å; K10-L82 HydrophobicContact CB-CD1 4.33Å; K10-L82 HydrophobicContact CD-CB 4.35Å; K10-L82 WeakPolarHBondContact CE-O 3.49Å; K10-L82 HydrophobicContact CG-CB 4.08Å; K10-L82 PolarHBondContact NZ-O 3.36Å; K10-D83 VanDerWaalsContact CD-OD1 3.31Å; K10-D83 WeakPolarHBondContact CD-OD1 3.5Å; K10-D83 IonicContact NZ-OD1 3.34Å; K10-D83 PolarHBondContact NZ-OD1 3.39Å
11E98.2Very high90.4Very high125 Ų12572.6 Ų72.658%0.58440%0.396SS*.Hα-helixtrans-62.1-45.4175.8-73.4173.5171.700112.1V7 K8 D9 I13 R14 G15V7-E11 WeakPolarHBondContact O-CG 3.47Å; V7-E11 PolarHBondContact O-N 2.9Å; K8-E11 PolarHBondContact O-N 3.25Å; D9-E11 PolarHBondContact O-N 2.8Å; E11-I13 PolarHBondContact O-N 3.44Å; E11-R14 PolarHBondContact O-N 3.29Å; E11-G15 PolarHBondContact O-N 3Å
12L98.6Very high92.9Very high45 Ų4571.6 Ų71.624%0.23639%0.385CS..Hα-helixtrans-60.5-45.6176.9-73.6170.6000111.4K8 D9 S16 P131 L132 A135K8-L12 HydrophobicContact CG-CD1 4.33Å; K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.31Å; K8-L12 PolarHBondContact O-N 3.04Å; D9-L12 PolarHBondContact O-N 3.48Å; L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.27Å; L12-S16 PolarHBondContact O-OG 2.97Å; L12-P131 HydrophobicContact CD1-CB 4.06Å; L12-L132 HydrophobicContact CB-CD1 4.08Å; L12-L132 HydrophobicContact CD2-CD1 4.2Å; L12-L132 WeakPolarHBondContact O-CD1 3.46Å; L12-A135 HydrophobicContact CB-CB 4.36Å; L12-A135 HydrophobicContact CD1-CB 4.44Å
13I98.6Very high94.8Very high0 Ų073 Ų730%039%0.394CS..Hα-helixtrans-63.6-51.1179.2-65.5159.9000110.3L5 D9 K10 E11 S16 W17 V79 L82 A135 W136 M139L5-I13 HydrophobicContact CD1-CD1 4.06Å; D9-I13 WeakPolarHBondContact O-CD1 3.41Å; D9-I13 WeakPolarHBondContact O-CG1 3.34Å; D9-I13 PolarHBondContact O-N 2.84Å; K10-I13 PolarHBondContact O-N 3.02Å; E11-I13 PolarHBondContact O-N 3.44Å; I13-S16 PolarHBondContact O-N 2.71Å; I13-S16 PolarHBondContact O-OG 2.7Å; I13-S16 VanDerWaalsContact O-OG 3.08Å; I13-W17 VanDerWaalsContact O-CB 3.26Å; I13-W17 WeakPolarHBondContact O-CB 3.39Å; I13-W17 PolarHBondContact O-N 3.42Å; I13-V79 HydrophobicContact CG2-CG1 4.24Å; I13-V79 HydrophobicContact CG2-CG2 3.79Å; I13-L82 HydrophobicContact CB-CD1 3.93Å; I13-L82 HydrophobicContact CD1-CD1 4.48Å; I13-L82 HydrophobicContact CD1-CD2 4.01Å; I13-L82 HydrophobicContact CG2-CD1 3.73Å; I13-L82 HydrophobicContact CG2-CD2 4.43Å; I13-A135 HydrophobicContact CD1-CB 4.18Å; I13-A135 HydrophobicContact CG1-CB 3.97Å; I13-W136 HydrophobicContact CG1-CD2 4.4Å; I13-W136 HydrophobicContact CG1-CG 4.4Å; I13-W136 HydrophobicContact CG2-CD2 4.34Å; I13-W136 HydrophobicContact CG2-CH2 3.97Å; I13-W136 HydrophobicContact CG2-CZ2 3.77Å; I13-W136 HydrophobicContact CG2-CZ3 4.35Å; I13-M139 HydrophobicContact CD1-CB 3.85Å; I13-M139 HydrophobicContact CD1-CG 4.37Å; I13-M139 HydrophobicContact CD1-SD 4.29Å; I13-M139 HydrophobicContact CG2-SD 3.9Å
14R98.5Very high96.3Very high85 Ų8571.5 Ų71.532%0.32137%0.373SS..Hα-helixtrans-59.1-51.7179.9-74174.4175.7150.5-3112.1K10 E11 S16 W17 E18 V79 L82 D83K10-R14 WeakPolarHBondContact O-CB 3.17Å; K10-R14 VanDerWaalsContact O-CG 3.31Å; K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 3.48Å; E11-R14 PolarHBondContact O-N 3.29Å; R14-S16 PolarHBondContact O-N 2.67Å; R14-W17 PolarHBondContact O-N 3.1Å; R14-E18 WeakPolarHBondContact O-CB 3.41Å; R14-E18 PolarHBondContact O-N 3.49Å; R14-V79 HydrophobicContact CG-CG1 4.18Å; R14-L82 HydrophobicContact CG-CD1 3.76Å; R14-D83 IonicContact CZ-OD2 2.71Å; R14-D83 IonicContact NH1-OD2 3.67Å; R14-D83 PolarHBondContact NH1-OD2 2.92Å; R14-D83 VanDerWaalsContact NH1-OD2 3.1Å; R14-D83 IonicContact NH2-OD2 3.1Å; R14-D83 PolarHBondContact NH2-OD2 3.46Å
15G98.4Very high97Very high39 Ų3964 Ų6440%0.40234%0.34SS..Hα-helixtrans-63.8-42.6-176.900000112.4E11 S19E11-G15 PolarHBondContact O-N 3Å; G15-S19 WeakPolarHBondContact O-CB 3.15Å; G15-S19 PolarHBondContact O-N 3.44Å
16S98.5Very high97.2Very high9 Ų966.6 Ų66.66%0.06336%0.358CS..Hα-helixtrans-67.3-43.2176.155.80000112.4L12 I13 R14 E18 S19 L132 W136L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.27Å; L12-S16 PolarHBondContact O-OG 2.97Å; I13-S16 PolarHBondContact O-N 2.71Å; I13-S16 PolarHBondContact O-OG 2.7Å; I13-S16 VanDerWaalsContact O-OG 3.08Å; R14-S16 PolarHBondContact O-N 2.67Å; S16-E18 PolarHBondContact O-N 3.04Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 PolarHBondContact O-OG 2.88Å; S16-L132 VanDerWaalsContact CB-CD1 3.49Å; S16-W136 PolarHBondContact OG-NE1 3.26Å
17W98.4Very high97.3Very high8 Ų865.8 Ų65.83%0.0335%0.348CS..Hα-helixtrans-61.2-46.5177-169.7-114.4000111.3I13 R14 S19 L20 K24 M72 I75 D76 V79 M119 W136I13-W17 VanDerWaalsContact O-CB 3.26Å; I13-W17 WeakPolarHBondContact O-CB 3.39Å; I13-W17 PolarHBondContact O-N 3.42Å; R14-W17 PolarHBondContact O-N 3.1Å; W17-S19 VanDerWaalsContact C-N 3.31Å; W17-S19 PolarHBondContact O-N 3.23Å; W17-L20 HydrophobicContact CE3-CD1 3.8Å; W17-L20 HydrophobicContact CZ3-CD1 3.97Å; W17-L20 WeakPolarHBondContact O-CB 3.45Å; W17-L20 PolarHBondContact O-N 3.12Å; W17-K24 VanDerWaalsContact CE2-CE 3.45Å; W17-K24 HydrophobicContact CH2-CD 4.35Å; W17-K24 HydrophobicContact CH2-CG 4.23Å; W17-K24 HydrophobicContact CZ2-CB 4.45Å; W17-K24 HydrophobicContact CZ2-CD 4.07Å; W17-K24 HydrophobicContact CZ2-CG 3.8Å; W17-K24 WeakPolarHBondContact O-CE 3.21Å; W17-K24 PolarHBondContact O-NZ 3.04Å; W17-M72 HydrophobicContact CH2-SD 4.03Å; W17-I75 HydrophobicContact CE3-CG2 4.27Å; W17-I75 HydrophobicContact CH2-CB 3.99Å; W17-I75 HydrophobicContact CH2-CG2 3.56Å; W17-I75 HydrophobicContact CZ2-CB 4.17Å; W17-I75 HydrophobicContact CZ2-CG2 3.85Å; W17-I75 HydrophobicContact CZ3-CG2 3.8Å; W17-D76 HydrophobicContact CZ2-CB 4.24Å; W17-D76 PolarHBondContact NE1-OD1 2.93Å; W17-V79 HydrophobicContact CB-CG1 4.01Å; W17-V79 HydrophobicContact CB-CG2 4.26Å; W17-V79 HydrophobicContact CD2-CG2 4.28Å; W17-V79 HydrophobicContact CG-CB 4.37Å; W17-V79 HydrophobicContact CG-CG1 4.09Å; W17-V79 HydrophobicContact CG-CG2 3.97Å; W17-M119 HydrophobicContact CZ3-CE 4.19Å; W17-W136 HydrophobicContact CB-CH2 4.19Å; W17-W136 HydrophobicContact CB-CZ2 3.99Å; W17-W136 HydrophobicContact CD2-CH2 4Å; W17-W136 AromaticContact CE3-CH2 3.46Å; W17-W136 HydrophobicContact CE3-CH2 3.46Å; W17-W136 VanDerWaalsContact CE3-CH2 3.46Å; W17-W136 AromaticContact CE3-CZ2 3.95Å; W17-W136 HydrophobicContact CE3-CZ2 3.95Å; W17-W136 HydrophobicContact CE3-CZ3 4.47Å; W17-W136 HydrophobicContact CG-CH2 4.34Å; W17-W136 HydrophobicContact CZ3-CH2 4.13Å
18E98Very high97.3Very high153 Ų15360.9 Ų60.972%0.71532%0.318SS*.Hα-helixtrans-58.2-42177.2-174.9175-168.200112R14 S16 L20 G21R14-E18 WeakPolarHBondContact O-CB 3.41Å; R14-E18 PolarHBondContact O-N 3.49Å; S16-E18 PolarHBondContact O-N 3.04Å; E18-L20 PolarHBondContact O-N 3.34Å; E18-L20 VanDerWaalsContact O-N 3.1Å; E18-G21 PolarHBondContact O-N 3.21Å
19S97.8Very high97.2Very high79 Ų7955.9 Ų55.955%0.55230%0.299SS*.Hα-helixtrans-61.8-20.7-178.977.10000114.7G15 S16 W17 G21 L124G15-S19 WeakPolarHBondContact O-CB 3.15Å; G15-S19 PolarHBondContact O-N 3.44Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 PolarHBondContact O-OG 2.88Å; W17-S19 VanDerWaalsContact C-N 3.31Å; W17-S19 PolarHBondContact O-N 3.23Å; S19-G21 PolarHBondContact O-N 2.72Å; S19-L124 WeakPolarHBondContact OG-CD2 3.49Å
20L97.5Very high97.1Very high15 Ų1557.2 Ų57.28%0.07931%0.306CS..THydrogen-bonded Turntrans-71.3-2.8173.8-56-178.6000113.1W17 E18 K24 H27 M119 L120 S123 L124W17-L20 HydrophobicContact CE3-CD1 3.8Å; W17-L20 HydrophobicContact CZ3-CD1 3.97Å; W17-L20 WeakPolarHBondContact O-CB 3.45Å; W17-L20 PolarHBondContact O-N 3.12Å; E18-L20 PolarHBondContact O-N 3.34Å; E18-L20 VanDerWaalsContact O-N 3.1Å; L20-K24 HydrophobicContact CB-CD 4.05Å; L20-H27 PolarHBondContact O-NE2 3.2Å; L20-M119 HydrophobicContact CD1-SD 4.33Å; L20-L120 HydrophobicContact CD1-CD2 4.25Å; L20-S123 VanDerWaalsContact CD2-CB 3.48Å; L20-L124 HydrophobicContact CD2-CD2 3.64Å; L20-L124 HydrophobicContact CD2-CG 4.1Å; L20-L124 HydrophobicContact CG-CD2 4.37Å
21G95.9Very high97.1Very high37 Ų3755.9 Ų55.938%0.38130%0.3SS..  trans75.3175.817700000114E18 S19 N23 K24E18-G21 PolarHBondContact O-N 3.21Å; S19-G21 PolarHBondContact O-N 2.72Å; G21-N23 PolarHBondContact O-N 3.1Å; G21-K24 WeakPolarHBondContact O-CD 3.25Å; G21-K24 WeakPolarHBondContact O-CE 3.31Å; G21-K24 PolarHBondContact O-NZ 3.04Å
22K94.7Very high96.9Very high218 Ų21850.4 Ų50.495%0.94827%0.274SS*.SBendtrans-67.4-34.1-171.4-66.1-177.7179.5-179.60113.9K24K22-K24 PolarHBondContact O-N 3.22Å
23N95Very high96.6Very high102 Ų10249.9 Ų49.955%0.54528%0.275SS..  trans-90.3102.9-178.6-177.210.6000110.7G21 V25 P26G21-N23 PolarHBondContact O-N 3.1Å; N23-V25 WeakPolarHBondContact OD1-CB 3.43Å; N23-V25 PolarHBondContact OD1-N 3.16Å; N23-V25 VanDerWaalsContact OD1-N 3.12Å; N23-P26 WeakPolarHBondContact OD1-CD 3.4Å
24K96.8Very high96.5Very high24 Ų2453.6 Ų53.610%0.10429%0.289CS..  trans-86.1-11.2179.1-56.2-53.2-164.1-148.50114.2W17 L20 G21 K22 H27 G28 M72W17-K24 VanDerWaalsContact CE2-CE 3.45Å; W17-K24 HydrophobicContact CH2-CD 4.35Å; W17-K24 HydrophobicContact CH2-CG 4.23Å; W17-K24 HydrophobicContact CZ2-CB 4.45Å; W17-K24 HydrophobicContact CZ2-CD 4.07Å; W17-K24 HydrophobicContact CZ2-CG 3.8Å; W17-K24 WeakPolarHBondContact O-CE 3.21Å; W17-K24 PolarHBondContact O-NZ 3.04Å; L20-K24 HydrophobicContact CB-CD 4.05Å; G21-K24 WeakPolarHBondContact O-CD 3.25Å; G21-K24 WeakPolarHBondContact O-CE 3.31Å; G21-K24 PolarHBondContact O-NZ 3.04Å; K22-K24 PolarHBondContact O-N 3.22Å; K24-H27 WeakPolarHBondContact O-CB 3.2Å; K24-H27 PolarHBondContact O-N 3.34Å; K24-H27 VanDerWaalsContact O-N 3.16Å; K24-G28 PolarHBondContact O-N 2.89Å; K24-M72 HydrophobicContact CB-CB 3.79Å; K24-M72 HydrophobicContact CB-CG 3.84Å; K24-M72 HydrophobicContact CB-SD 4.17Å
25V95.8Very high96.2Very high33 Ų3350 Ų5020%0.228%0.276CS..Hα-helixtrans-59.5-45.4-172.1179.80000112.8N23 H27 G28 V29 L65 V68 T69N23-V25 WeakPolarHBondContact OD1-CB 3.43Å; N23-V25 PolarHBondContact OD1-N 3.16Å; N23-V25 VanDerWaalsContact OD1-N 3.12Å; V25-H27 VanDerWaalsContact C-N 3.26Å; V25-H27 PolarHBondContact O-N 3.3Å; V25-G28 WeakPolarHBondContact O-CA 3.36Å; V25-G28 PolarHBondContact O-N 2.87Å; V25-G28 VanDerWaalsContact O-N 3.08Å; V25-V29 PolarHBondContact O-N 3.47Å; V25-L65 HydrophobicContact CG1-CD2 4.12Å; V25-V68 HydrophobicContact CG1-CG1 4.23Å; V25-T69 WeakPolarHBondContact CG2-OG1 3.27Å
26P95.9Very high95.9Very high70 Ų7048.5 Ų48.546%0.45526%0.258SS..Hα-helixtrans-59.3-37.1178-2535.7000113.2N23 V29 I30N23-P26 WeakPolarHBondContact OD1-CD 3.4Å; P26-V29 PolarHBondContact O-N 3.03Å; P26-I30 PolarHBondContact O-N 3.38Å
27H97.4Very high95.6Very high35 Ų3553.6 Ų53.616%0.16228%0.281CS..Hα-helixtrans-67.5-42.9175.5-58.1-69000111.1L20 K24 V25 V29 I30 M31 M119 S123L20-H27 PolarHBondContact O-NE2 3.2Å; K24-H27 WeakPolarHBondContact O-CB 3.2Å; K24-H27 PolarHBondContact O-N 3.34Å; K24-H27 VanDerWaalsContact O-N 3.16Å; V25-H27 VanDerWaalsContact C-N 3.26Å; V25-H27 PolarHBondContact O-N 3.3Å; H27-V29 VanDerWaalsContact C-N 3.27Å; H27-V29 PolarHBondContact O-N 3.39Å; H27-I30 WeakPolarHBondContact O-CB 3.3Å; H27-I30 PolarHBondContact O-N 2.88Å; H27-M31 PolarHBondContact O-N 2.86Å; H27-M119 HydrophobicContact CB-CG 4.02Å; H27-M119 HydrophobicContact CB-SD 3.79Å; H27-M119 WeakPolarHBondContact O-CG 3.34Å; H27-S123 VanDerWaalsContact ND1-CB 3.28Å; H27-S123 WeakPolarHBondContact ND1-CB 3.47Å; H27-S123 PolarHBondContact ND1-OG 2.97Å
28G96.6Very high95.3Very high0 Ų056.6 Ų56.60%030%0.297CS..Hα-helixtrans-59.2-35.9173.900000113.4K24 V25 I30 M31 F32 M72K24-G28 PolarHBondContact O-N 2.89Å; V25-G28 WeakPolarHBondContact O-CA 3.36Å; V25-G28 PolarHBondContact O-N 2.87Å; V25-G28 VanDerWaalsContact O-N 3.08Å; G28-I30 PolarHBondContact O-N 3.12Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.43Å; G28-F32 WeakPolarHBondContact O-CD2 3.45Å; G28-F32 PolarHBondContact O-N 3.48Å; G28-M72 VanDerWaalsContact CA-SD 3.58Å
29V95.2Very high94.9Very high33 Ų3351.4 Ų51.420%0.227%0.274CS..Hα-helixtrans-62.6-41.9173.3175.10000111.1V25 P26 H27 M31 F32 S33 L65 V68V25-V29 PolarHBondContact O-N 3.47Å; P26-V29 PolarHBondContact O-N 3.03Å; H27-V29 VanDerWaalsContact C-N 3.27Å; H27-V29 PolarHBondContact O-N 3.39Å; V29-M31 VanDerWaalsContact C-N 3.3Å; V29-M31 PolarHBondContact O-N 2.95Å; V29-F32 PolarHBondContact O-N 3.45Å; V29-S33 WeakPolarHBondContact O-CB 3.43Å; V29-S33 PolarHBondContact O-N 2.94Å; V29-S33 PolarHBondContact O-OG 3.29Å; V29-L65 HydrophobicContact CG2-CD2 3.72Å; V29-V68 HydrophobicContact CG2-CG1 4.45Å
30I96Very high94.5Very high57 Ų5751 Ų5129%0.29227%0.27SS..Hα-helixtrans-58.9-43.9174.4-61168.2000110.8P26 H27 G28 R34 Y118 M119 C122P26-I30 PolarHBondContact O-N 3.38Å; H27-I30 WeakPolarHBondContact O-CB 3.3Å; H27-I30 PolarHBondContact O-N 2.88Å; G28-I30 PolarHBondContact O-N 3.12Å; I30-R34 PolarHBondContact O-N 3.03Å; I30-Y118 HydrophobicContact CG2-CD1 4.11Å; I30-Y118 HydrophobicContact CG2-CE1 3.9Å; I30-M119 HydrophobicContact CB-CG 4.36Å; I30-M119 HydrophobicContact CG2-CB 4.34Å; I30-C122 HydrophobicContact CG2-CB 4.29Å
31M96.8Very high93.9Very high6 Ų652.9 Ų52.93%0.0329%0.288CS..Hα-helixtrans-58.4-50.9177.2176.9-179170.900111.3H27 G28 V29 R34 L35 M72 I75 V112 S115 L116 M119H27-M31 PolarHBondContact O-N 2.86Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.43Å; V29-M31 VanDerWaalsContact C-N 3.3Å; V29-M31 PolarHBondContact O-N 2.95Å; M31-R34 WeakPolarHBondContact O-CB 3.33Å; M31-R34 PolarHBondContact O-N 2.78Å; M31-L35 PolarHBondContact O-N 2.87Å; M31-M72 HydrophobicContact SD-CE 3.85Å; M31-I75 HydrophobicContact SD-CD1 4.36Å; M31-V112 HydrophobicContact CE-CG1 3.61Å; M31-S115 WeakPolarHBondContact O-CB 3.4Å; M31-L116 HydrophobicContact CE-CB 4.15Å; M31-L116 HydrophobicContact SD-CB 4.29Å; M31-L116 HydrophobicContact SD-CD1 4.46Å; M31-M119 HydrophobicContact CB-CB 3.83Å; M31-M119 HydrophobicContact CB-CG 4.11Å
32F94Very high93.5Very high10 Ų1051.9 Ų51.94%0.04427%0.274CS..Hα-helixtrans-72-34.5-178.4-85.3-85.3000113.9G28 V29 R34 L35 F36 F46 F64 H67 V68 V71G28-F32 WeakPolarHBondContact O-CD2 3.45Å; G28-F32 PolarHBondContact O-N 3.48Å; V29-F32 PolarHBondContact O-N 3.45Å; F32-R34 PolarHBondContact O-N 2.92Å; F32-L35 HydrophobicContact CD1-CD2 3.94Å; F32-L35 HydrophobicContact CE1-CD2 4.04Å; F32-L35 WeakPolarHBondContact O-CB 3.42Å; F32-L35 PolarHBondContact O-N 3.46Å; F32-L35 VanDerWaalsContact O-N 3.14Å; F32-F36 HydrophobicContact CB-CE2 4.3Å; F32-F36 HydrophobicContact CD1-CE2 4.23Å; F32-F36 AromaticContact CD1-CZ 3.91Å; F32-F36 HydrophobicContact CD1-CZ 3.91Å; F32-F36 VanDerWaalsContact O-CD2 3.28Å; F32-F36 WeakPolarHBondContact O-CD2 3.39Å; F32-F36 PolarHBondContact O-N 3.44Å; F32-F46 HydrophobicContact CD1-CZ 4.34Å; F32-F46 HydrophobicContact CE1-CE1 4.41Å; F32-F46 AromaticContact CE1-CZ 3.79Å; F32-F46 HydrophobicContact CE1-CZ 3.79Å; F32-F64 HydrophobicContact CB-CE2 4.12Å; F32-F64 HydrophobicContact CB-CZ 3.5Å; F32-F64 VanDerWaalsContact CB-CZ 3.5Å; F32-F64 HydrophobicContact CD1-CE2 4.04Å; F32-F64 HydrophobicContact CD1-CZ 4.24Å; F32-F64 HydrophobicContact CD2-CZ 4.39Å; F32-F64 HydrophobicContact CG-CE2 4.07Å; F32-F64 AromaticContact CG-CZ 3.81Å; F32-F64 HydrophobicContact CG-CZ 3.81Å; F32-H67 AromaticContact CE1-CD2 3.94Å; F32-H67 AromaticContact CE1-NE2 3.99Å; F32-H67 AromaticContact CZ-CD2 3.45Å; F32-H67 VanDerWaalsContact CZ-CD2 3.45Å; F32-H67 WeakPolarHBondContact CZ-CD2 3.45Å; F32-H67 AromaticContact CZ-NE2 3.54Å; F32-V68 HydrophobicContact CD2-CG2 3.73Å; F32-V68 HydrophobicContact CE2-CG2 4.07Å; F32-V68 HydrophobicContact CG-CG2 4.38Å; F32-V71 HydrophobicContact CE2-CB 4.19Å; F32-V71 HydrophobicContact CE2-CG1 4.33Å; F32-V71 HydrophobicContact CE2-CG2 4.12Å; F32-V71 HydrophobicContact CZ-CB 4.47Å; F32-V71 HydrophobicContact CZ-CG2 3.92Å
33S93.1Very high93Very high35 Ų3542.9 Ų42.925%0.24524%0.235CC..Hα-helixtrans-55.3-46170.5-66.10000110.2V29 L35 F36 E37V29-S33 WeakPolarHBondContact O-CB 3.43Å; V29-S33 PolarHBondContact O-N 2.94Å; V29-S33 PolarHBondContact O-OG 3.29Å; S33-L35 PolarHBondContact O-N 3.37Å; S33-F36 PolarHBondContact O-N 3.06Å; S33-E37 WeakPolarHBondContact O-CG 3.41Å; S33-E37 PolarHBondContact O-N 3.1Å; S33-E37 VanDerWaalsContact O-N 3.12Å
34R95.3Very high92.5Very high78 Ų7843.6 Ų43.629%0.29424%0.239SC..Hα-helixtrans-64-40.3175.8-175.559.3176.8170.91.9112.6I30 M31 F32 F36 E37 L38 Y118I30-R34 PolarHBondContact O-N 3.03Å; M31-R34 WeakPolarHBondContact O-CB 3.33Å; M31-R34 PolarHBondContact O-N 2.78Å; F32-R34 PolarHBondContact O-N 2.92Å; R34-F36 VanDerWaalsContact C-N 3.34Å; R34-F36 PolarHBondContact O-N 3.33Å; R34-E37 WeakPolarHBondContact CD-OE2 3.27Å; R34-E37 IonicContact CZ-OE2 3.9Å; R34-E37 IonicContact NH1-OE2 2.89Å; R34-E37 PolarHBondContact NH1-OE2 2.96Å; R34-E37 WeakPolarHBondContact O-CB 3.39Å; R34-E37 PolarHBondContact O-N 3.47Å; R34-L38 HydrophobicContact CG-CD1 4.21Å; R34-L38 WeakPolarHBondContact O-CG 3.47Å; R34-L38 PolarHBondContact O-N 3.49Å; R34-Y118 HydrophobicContact CB-CD1 3.6Å; R34-Y118 HydrophobicContact CB-CE1 4.08Å; R34-Y118 HydrophobicContact CB-CG 4.25Å; R34-Y118 HydrophobicContact CG-CD1 3.62Å; R34-Y118 HydrophobicContact CG-CD2 4.47Å; R34-Y118 HydrophobicContact CG-CE1 4.26Å; R34-Y118 HydrophobicContact CG-CG 3.73Å
35L93.8Very high91.9Very high9 Ų945.2 Ų45.25%0.04725%0.249CC..Hα-helixtrans-58.2-46.4178.4-178.360.9000111.6M31 F32 S33 E37 L38 D39 L42 E111 V112 S115M31-L35 PolarHBondContact O-N 2.87Å; F32-L35 HydrophobicContact CD1-CD2 3.94Å; F32-L35 HydrophobicContact CE1-CD2 4.04Å; F32-L35 WeakPolarHBondContact O-CB 3.42Å; F32-L35 PolarHBondContact O-N 3.46Å; F32-L35 VanDerWaalsContact O-N 3.14Å; S33-L35 PolarHBondContact O-N 3.37Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.29Å; L35-L38 PolarHBondContact O-N 3.09Å; L35-D39 PolarHBondContact O-N 3.13Å; L35-L42 HydrophobicContact CD1-CD1 3.61Å; L35-L42 HydrophobicContact CD2-CD1 4.21Å; L35-L42 HydrophobicContact CG-CD1 3.83Å; L35-E111 HydrophobicContact CD1-CB 3.63Å; L35-V112 HydrophobicContact CD1-CG2 3.87Å; L35-V112 HydrophobicContact CD2-CG2 4.06Å; L35-S115 VanDerWaalsContact CA-OG 3.23Å; L35-S115 WeakPolarHBondContact CA-OG 3.27Å; L35-S115 PolarHBondContact N-OG 3.47Å
36F91.3Very high91.1Very high7 Ų745.3 Ų45.33%0.03125%0.247CC..Hα-helixtrans-79.1-12.2-180-55.8-41.8000114.4F32 S33 R34 P40 L42 L43 F46 L59 F64F32-F36 HydrophobicContact CB-CE2 4.3Å; F32-F36 HydrophobicContact CD1-CE2 4.23Å; F32-F36 AromaticContact CD1-CZ 3.91Å; F32-F36 HydrophobicContact CD1-CZ 3.91Å; F32-F36 VanDerWaalsContact O-CD2 3.28Å; F32-F36 WeakPolarHBondContact O-CD2 3.39Å; F32-F36 PolarHBondContact O-N 3.44Å; S33-F36 PolarHBondContact O-N 3.06Å; R34-F36 VanDerWaalsContact C-N 3.34Å; R34-F36 PolarHBondContact O-N 3.33Å; F36-P40 WeakPolarHBondContact O-CA 3.41Å; F36-P40 WeakPolarHBondContact O-CG 3.37Å; F36-L42 HydrophobicContact CD1-CB 4.08Å; F36-L42 HydrophobicContact CE1-CB 4.03Å; F36-L43 HydrophobicContact CD1-CB 4.14Å; F36-L43 HydrophobicContact CD1-CD1 4.45Å; F36-L43 HydrophobicContact CD2-CD1 3.86Å; F36-L43 HydrophobicContact CE1-CB 4.32Å; F36-L43 HydrophobicContact CE1-CD1 4.29Å; F36-L43 HydrophobicContact CE2-CD1 3.67Å; F36-L43 HydrophobicContact CG-CB 4.41Å; F36-L43 HydrophobicContact CG-CD1 4.26Å; F36-L43 HydrophobicContact CZ-CD1 3.9Å; F36-F46 HydrophobicContact CE1-CD2 4.01Å; F36-F46 AromaticContact CE1-CE2 3.66Å; F36-F46 HydrophobicContact CE1-CE2 3.66Å; F36-F46 HydrophobicContact CE1-CZ 4.49Å; F36-F46 AromaticContact CZ-CD2 3.71Å; F36-F46 HydrophobicContact CZ-CD2 3.71Å; F36-F46 AromaticContact CZ-CE2 3.46Å; F36-F46 HydrophobicContact CZ-CE2 3.46Å; F36-F46 VanDerWaalsContact CZ-CE2 3.46Å; F36-F46 HydrophobicContact CZ-CG 4.46Å; F36-F46 HydrophobicContact CZ-CZ 4Å; F36-L59 HydrophobicContact CD2-CD2 3.77Å; F36-L59 HydrophobicContact CE2-CD2 3.7Å; F36-F64 AromaticContact CE2-CE2 3.79Å; F36-F64 HydrophobicContact CE2-CE2 3.79Å; F36-F64 HydrophobicContact CE2-CZ 4.2Å; F36-F64 HydrophobicContact CZ-CE2 4.14Å
37E91.6Very high89.8Confident117 Ų11748.6 Ų48.655%0.54726%0.256SS..Hα-helixtrans-74-40.3163.9-73.8173.3-177.300111.3S33 R34 L35S33-E37 WeakPolarHBondContact O-CG 3.41Å; S33-E37 PolarHBondContact O-N 3.1Å; S33-E37 VanDerWaalsContact O-N 3.12Å; R34-E37 WeakPolarHBondContact CD-OE2 3.27Å; R34-E37 IonicContact CZ-OE2 3.9Å; R34-E37 IonicContact NH1-OE2 2.89Å; R34-E37 PolarHBondContact NH1-OE2 2.96Å; R34-E37 WeakPolarHBondContact O-CB 3.39Å; R34-E37 PolarHBondContact O-N 3.47Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.29Å
38L92.3Very high88.1Confident71 Ų7154.8 Ų54.837%0.37228%0.279SS..Hα-helixtrans-73.6-45.1179.7-67.2173000111.8R34 L35 E111 E114R34-L38 HydrophobicContact CG-CD1 4.21Å; R34-L38 WeakPolarHBondContact O-CG 3.47Å; R34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 3.09Å; L38-E111 HydrophobicContact CB-CB 4.27Å; L38-E111 HydrophobicContact CB-CG 4.04Å; L38-E111 HydrophobicContact CD1-CB 4.22Å; L38-E114 HydrophobicContact CD1-CB 4.13Å
39D90.8Very high86.2Confident43 Ų4356.4 Ų56.423%0.2329%0.29CS..  trans-134.992.8174.9-173.3-4.8000111.1L35 A41 L42L35-D39 PolarHBondContact O-N 3.13Å; D39-A41 PolarHBondContact O-N 3.46Å; D39-A41 VanDerWaalsContact OD1-CB 3.26Å; D39-A41 WeakPolarHBondContact OD1-CB 3.29Å; D39-A41 PolarHBondContact OD1-N 3.32Å; D39-L42 HydrophobicContact CB-CD1 3.88Å; D39-L42 HydrophobicContact CB-CG 3.96Å; D39-L42 PolarHBondContact O-N 3.32Å; D39-L42 WeakPolarHBondContact OD2-CG 3.4Å
40P88.1Confident84.1Confident70 Ų7060.3 Ų60.346%0.45531%0.314SS..G310 helixtrans-61.1-22.3176.5-23.533.4000114.1F36 L42 L43F36-P40 WeakPolarHBondContact O-CA 3.41Å; F36-P40 WeakPolarHBondContact O-CG 3.37Å; P40-L42 VanDerWaalsContact C-N 3.28Å; P40-L42 PolarHBondContact O-N 3.46Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 2.85Å
41A86.3Confident82.3Confident56 Ų5664.9 Ų64.946%0.46334%0.339SS..G310 helixtrans-71.5-25.2-17800000112D39 L43 N44D39-A41 PolarHBondContact O-N 3.46Å; D39-A41 VanDerWaalsContact OD1-CB 3.26Å; D39-A41 WeakPolarHBondContact OD1-CB 3.29Å; D39-A41 PolarHBondContact OD1-N 3.32Å; A41-L43 PolarHBondContact O-N 3.31Å; A41-N44 VanDerWaalsContact O-CB 3.31Å; A41-N44 WeakPolarHBondContact O-CB 3.46Å; A41-N44 PolarHBondContact O-N 2.86Å; A41-N44 VanDerWaalsContact O-N 3.08Å; A41-N44 PolarHBondContact O-ND2 3.27Å
42L87.1Confident80.6Confident16 Ų1666.1 Ų66.18%0.08435%0.348CS..G310 helixtrans-61.9-25.2175.5-68177.2000112.9L35 F36 D39 P40 N44 L45 F46L35-L42 HydrophobicContact CD1-CD1 3.61Å; L35-L42 HydrophobicContact CD2-CD1 4.21Å; L35-L42 HydrophobicContact CG-CD1 3.83Å; F36-L42 HydrophobicContact CD1-CB 4.08Å; F36-L42 HydrophobicContact CE1-CB 4.03Å; D39-L42 HydrophobicContact CB-CD1 3.88Å; D39-L42 HydrophobicContact CB-CG 3.96Å; D39-L42 PolarHBondContact O-N 3.32Å; D39-L42 WeakPolarHBondContact OD2-CG 3.4Å; P40-L42 VanDerWaalsContact C-N 3.28Å; P40-L42 PolarHBondContact O-N 3.46Å; L42-N44 PolarHBondContact O-N 3.08Å; L42-L45 HydrophobicContact CD2-CD1 4.01Å; L42-L45 WeakPolarHBondContact O-CB 3.35Å; L42-L45 PolarHBondContact O-N 3.28Å; L42-L45 VanDerWaalsContact O-N 3.11Å; L42-F46 WeakPolarHBondContact O-CD2 3.33Å
43L84.6Confident79.1Confident28 Ų2873.5 Ų73.515%0.14739%0.388CS..G310 helixtrans-60.3-30.3175.9-17166.2000111.7F36 P40 A41 L45 F46 K55F36-L43 HydrophobicContact CD1-CB 4.14Å; F36-L43 HydrophobicContact CD1-CD1 4.45Å; F36-L43 HydrophobicContact CD2-CD1 3.86Å; F36-L43 HydrophobicContact CE1-CB 4.32Å; F36-L43 HydrophobicContact CE1-CD1 4.29Å; F36-L43 HydrophobicContact CE2-CD1 3.67Å; F36-L43 HydrophobicContact CG-CB 4.41Å; F36-L43 HydrophobicContact CG-CD1 4.26Å; F36-L43 HydrophobicContact CZ-CD1 3.9Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 2.85Å; A41-L43 PolarHBondContact O-N 3.31Å; L43-L45 PolarHBondContact O-N 3.19Å; L43-F46 WeakPolarHBondContact O-CB 3.34Å; L43-F46 PolarHBondContact O-N 3.39Å; L43-K55 HydrophobicContact CD2-CG 4.22Å
44N83.5Confident78.1Confident117 Ų11774.3 Ų74.363%0.62639%0.394SS*.G310 helixtrans-66.2-19.9179.4-61.5-40.8000113.1A41 L42 F46A41-N44 VanDerWaalsContact O-CB 3.31Å; A41-N44 WeakPolarHBondContact O-CB 3.46Å; A41-N44 PolarHBondContact O-N 2.86Å; A41-N44 VanDerWaalsContact O-N 3.08Å; A41-N44 PolarHBondContact O-ND2 3.27Å; L42-N44 PolarHBondContact O-N 3.08Å; N44-F46 PolarHBondContact O-N 3.07Å
45L83.8Confident76.8Confident58 Ų5876.3 Ų76.330%0.30441%0.405SS..G310 helixtrans-76-12.6175.1-55.9-177.7000112.2L42 L43 H47 V102 V104L42-L45 HydrophobicContact CD2-CD1 4.01Å; L42-L45 WeakPolarHBondContact O-CB 3.35Å; L42-L45 PolarHBondContact O-N 3.28Å; L42-L45 VanDerWaalsContact O-N 3.11Å; L43-L45 PolarHBondContact O-N 3.19Å; L45-H47 PolarHBondContact O-CD2 3.38Å; L45-H47 VanDerWaalsContact O-CD2 3.27Å; L45-H47 PolarHBondContact O-N 3.1Å; L45-V102 WeakPolarHBondContact CD2-O 3.49Å; L45-V104 HydrophobicContact CD1-CG2 3.7Å
46F79.8Confident75.7Confident36 Ų3681.5 Ų81.516%0.15843%0.429CS..  trans-91.977.7175.5-65.9-96.4000108.6F32 F36 L42 L43 N44 Y48 S49 F64 H67F32-F46 HydrophobicContact CD1-CZ 4.34Å; F32-F46 HydrophobicContact CE1-CE1 4.41Å; F32-F46 AromaticContact CE1-CZ 3.79Å; F32-F46 HydrophobicContact CE1-CZ 3.79Å; F36-F46 HydrophobicContact CE1-CD2 4.01Å; F36-F46 AromaticContact CE1-CE2 3.66Å; F36-F46 HydrophobicContact CE1-CE2 3.66Å; F36-F46 HydrophobicContact CE1-CZ 4.49Å; F36-F46 AromaticContact CZ-CD2 3.71Å; F36-F46 HydrophobicContact CZ-CD2 3.71Å; F36-F46 AromaticContact CZ-CE2 3.46Å; F36-F46 HydrophobicContact CZ-CE2 3.46Å; F36-F46 VanDerWaalsContact CZ-CE2 3.46Å; F36-F46 HydrophobicContact CZ-CG 4.46Å; F36-F46 HydrophobicContact CZ-CZ 4Å; L42-F46 WeakPolarHBondContact O-CD2 3.33Å; L43-F46 WeakPolarHBondContact O-CB 3.34Å; L43-F46 PolarHBondContact O-N 3.39Å; N44-F46 PolarHBondContact O-N 3.07Å; F46-Y48 PolarHBondContact O-N 2.89Å; F46-S49 WeakPolarHBondContact O-CB 3.26Å; F46-S49 PolarHBondContact O-N 3.46Å; F46-S49 PolarHBondContact O-OG 3.19Å; F46-F64 HydrophobicContact CD1-CD2 4.11Å; F46-F64 HydrophobicContact CE1-CD2 4.26Å; F46-F64 HydrophobicContact CE1-CE2 4.37Å; F46-H67 AromaticContact CE1-CD2 3.54Å; F46-H67 AromaticContact CE1-CG 3.92Å; F46-H67 AromaticContact CE1-NE2 3.88Å; F46-H67 AromaticContact CZ-NE2 3.98Å
47H68.1Low74.9Confident139 Ų13984.8 Ų84.864%0.64445%0.447SS*.G310 helixtrans-58.2-15.2-176.3-69.4-108.1000114.5L45 S49 T50L45-H47 PolarHBondContact O-CD2 3.38Å; L45-H47 VanDerWaalsContact O-CD2 3.27Å; L45-H47 PolarHBondContact O-N 3.1Å; H47-S49 PolarHBondContact O-N 3.29Å; H47-T50 WeakPolarHBondContact O-CG2 3.48Å; H47-T50 PolarHBondContact O-OG1 3.48Å
48Y63Low74.1Confident164 Ų16479.8 Ų79.864%0.64342%0.424SS*.G310 helixtrans-73-7.4173.1-44.8-76.7000112.8F46 T50 E63F46-Y48 PolarHBondContact O-N 2.89Å; Y48-T50 PolarHBondContact O-N 3.19Å; Y48-E63 HydrophobicContact CD1-CB 4.33Å; Y48-E63 HydrophobicContact CD1-CG 4.11Å; Y48-E63 HydrophobicContact CD2-CB 4.21Å; Y48-E63 HydrophobicContact CG-CB 3.89Å; Y48-E63 HydrophobicContact CG-CG 4.14Å
49S56.8Low73.4Confident34 Ų3477.1 Ų77.124%0.23841%0.41CS..G310 helixtrans-71.3-2.6174.859.80000114.8F46 H47 N51 C52 C58F46-S49 WeakPolarHBondContact O-CB 3.26Å; F46-S49 PolarHBondContact O-N 3.46Å; F46-S49 PolarHBondContact O-OG 3.19Å; H47-S49 PolarHBondContact O-N 3.29Å; S49-N51 PolarHBondContact O-N 3.13Å; S49-C52 PolarHBondContact O-N 3.28Å; S49-C58 WeakPolarHBondContact CB-SG 3.36Å
50T50.9Low73Confident115 Ų11578.2 Ų78.271%0.70642%0.421SS*.G310 helixtrans-61.4-10.5-176.447.70000114.8H47 Y48H47-T50 WeakPolarHBondContact O-CG2 3.48Å; H47-T50 PolarHBondContact O-OG1 3.48Å; Y48-T50 PolarHBondContact O-N 3.19Å
51N56.4Low72.9Confident153 Ų15375.9 Ų75.982%0.81841%0.407SS*.G310 helixtrans-122.923.4175.9-65.1-23.5000113.4S49S49-N51 PolarHBondContact O-N 3.13Å
52C61.3Low73Confident33 Ų3377.9 Ų77.922%0.22342%0.415CS..  trans-92.8127.8174.4-58.80000111.7S49 S54 D57 C58S49-C52 PolarHBondContact O-N 3.28Å; C52-S54 VanDerWaalsContact C-N 3.33Å; C52-D57 HydrophobicContact CB-CB 4.34Å; C52-C58 HydrophobicContact CB-CB 4.02Å; C52-C58 WeakPolarHBondContact CB-SG 3.48Å; C52-C58 WeakPolarHBondContact SG-CA 3.19Å; C52-C58 WeakPolarHBondContact SG-CB 3.45Å; C52-C58 PolarHBondContact SG-N 3.48Å; C52-C58 CovalentContact SG-SG 2.04Å; C52-C58 PolarHBondContact SG-SG 3.4Å
53D63.6Low72.9Confident164 Ų16481.7 Ų81.788%0.87743%0.433SS*.SBendtrans-77.9-22.1171.7-65-40.1000112
54S71.5Confident73.1Confident52 Ų5280.8 Ų80.836%0.36443%0.427SS..SBendtrans-148.4165.6177.677.30000113.6C52 Q56 D57 C58C52-S54 VanDerWaalsContact C-N 3.33Å; S54-Q56 PolarHBondContact O-N 3.37Å; S54-Q56 PolarHBondContact OG-N 3.49Å; S54-D57 WeakPolarHBondContact CB-OD2 3.48Å; S54-D57 PolarHBondContact N-OD2 3.04Å; S54-D57 PolarHBondContact O-N 3.3Å; S54-D57 PolarHBondContact OG-N 3.5Å; S54-D57 PolarHBondContact OG-OD2 3.03Å; S54-C58 PolarHBondContact O-N 3.12Å
55K69.1Low73.5Confident120 Ų12078 Ų7852%0.52241%0.412SS..Hα-helixtrans-55.3-36.9171.9-72.2-172.2177.9-1730112.1L43 D57 C58 L59L43-K55 HydrophobicContact CD2-CG 4.22Å; K55-D57 VanDerWaalsContact C-N 3.34Å; K55-C58 PolarHBondContact O-N 3.41Å; K55-L59 VanDerWaalsContact O-CG 3.27Å; K55-L59 WeakPolarHBondContact O-CG 3.43Å; K55-L59 PolarHBondContact O-N 3.35Å; K55-L59 VanDerWaalsContact O-N 3.1Å
56Q70.9Confident73.9Confident119 Ų11978.9 Ų78.956%0.55642%0.417SS*.Hα-helixtrans-68-36.3-178.6-172.358.24600111.8S54 L59 S60S54-Q56 PolarHBondContact O-N 3.37Å; S54-Q56 PolarHBondContact OG-N 3.49Å; Q56-L59 PolarHBondContact O-N 3.4Å; Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.25Å
57D73.9Confident74.5Confident76 Ų7680.1 Ų80.141%0.40642%0.423SS..Hα-helixtrans-67.5-41.2178-56.7-41.7000110.7C52 S54 K55 L59 S60 S61C52-D57 HydrophobicContact CB-CB 4.34Å; S54-D57 WeakPolarHBondContact CB-OD2 3.48Å; S54-D57 PolarHBondContact N-OD2 3.04Å; S54-D57 PolarHBondContact O-N 3.3Å; S54-D57 PolarHBondContact OG-N 3.5Å; S54-D57 PolarHBondContact OG-OD2 3.03Å; K55-D57 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.03Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-S60 VanDerWaalsContact O-N 3.14Å; D57-S61 PolarHBondContact O-N 3.27Å; D57-S61 VanDerWaalsContact O-N 3.14Å
58C75.1Confident75.8Confident11 Ų1173.5 Ų73.57%0.07439%0.393CS..Hα-helixtrans-60.1-45.1174-87.20000113.3S49 C52 S54 K55 S60 S61 F64S49-C58 WeakPolarHBondContact CB-SG 3.36Å; C52-C58 HydrophobicContact CB-CB 4.02Å; C52-C58 WeakPolarHBondContact CB-SG 3.48Å; C52-C58 WeakPolarHBondContact SG-CA 3.19Å; C52-C58 WeakPolarHBondContact SG-CB 3.45Å; C52-C58 PolarHBondContact SG-N 3.48Å; C52-C58 CovalentContact SG-SG 2.04Å; C52-C58 PolarHBondContact SG-SG 3.4Å; S54-C58 PolarHBondContact O-N 3.12Å; K55-C58 PolarHBondContact O-N 3.41Å; C58-S60 PolarHBondContact O-N 2.94Å; C58-S60 VanDerWaalsContact O-N 3.14Å; C58-S61 PolarHBondContact O-N 2.93Å; C58-S61 PolarHBondContact O-OG 3.23Å; C58-F64 VanDerWaalsContact O-CB 3.27Å; C58-F64 WeakPolarHBondContact O-CB 3.14Å; C58-F64 WeakPolarHBondContact O-CG 3.26Å
59L77.5Confident77.3Confident15 Ų1568 Ų688%0.07938%0.376CS..THydrogen-bonded Turntrans-68.1-8.5178.9-69.9174.2000113.9F36 K55 Q56 D57 F64F36-L59 HydrophobicContact CD2-CD2 3.77Å; F36-L59 HydrophobicContact CE2-CD2 3.7Å; K55-L59 VanDerWaalsContact O-CG 3.27Å; K55-L59 WeakPolarHBondContact O-CG 3.43Å; K55-L59 PolarHBondContact O-N 3.35Å; K55-L59 VanDerWaalsContact O-N 3.1Å; Q56-L59 PolarHBondContact O-N 3.4Å; D57-L59 PolarHBondContact O-N 3.03Å; L59-F64 VanDerWaalsContact C-CD1 3.5Å; L59-F64 HydrophobicContact CB-CE1 4.2Å; L59-F64 HydrophobicContact CD2-CD1 4.41Å; L59-F64 HydrophobicContact CD2-CE1 3.55Å; L59-F64 HydrophobicContact CD2-CE2 3.94Å; L59-F64 HydrophobicContact CD2-CZ 3.27Å; L59-F64 WeakPolarHBondContact O-CD1 3.19Å; L59-F64 WeakPolarHBondContact O-CE1 3.24Å
60S81.8Confident79.1Confident66 Ų6671.8 Ų71.846%0.46239%0.388SS..THydrogen-bonded Turntrans-115.3-1.8-179.3-48.20000112.9Q56 D57 C58Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.25Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-S60 VanDerWaalsContact O-N 3.14Å; C58-S60 PolarHBondContact O-N 2.94Å; C58-S60 VanDerWaalsContact O-N 3.14Å
61S85.4Confident81.2Confident22 Ų2267.7 Ų67.715%0.15436%0.363CS..SBendtrans-66.5144.6179.764.70000112D57 C58 E63 F64 L65D57-S61 PolarHBondContact O-N 3.27Å; D57-S61 VanDerWaalsContact O-N 3.14Å; C58-S61 PolarHBondContact O-N 2.93Å; C58-S61 PolarHBondContact O-OG 3.23Å; S61-E63 VanDerWaalsContact C-N 3.27Å; S61-E63 PolarHBondContact O-N 2.88Å; S61-F64 PolarHBondContact O-N 2.9Å; S61-F64 WeakPolarHBondContact OG-CB 3.33Å; S61-F64 PolarHBondContact OG-N 3.08Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.5Å
62P87.9Confident83.2Confident98 Ų9860.7 Ų60.764%0.63633%0.326SS*.Hα-helixtrans-55.2-39.9178.2-26.835.4000113.7L65 D66P62-L65 PolarHBondContact O-N 3.4Å; P62-D66 WeakPolarHBondContact O-CB 3.39Å; P62-D66 PolarHBondContact O-N 3.02Å
63E86.6Confident84.8Confident96 Ų9664.1 Ų64.145%0.44934%0.341SS..Hα-helixtrans-66.2-40.8-179.9-62.973.5-163.100111.4Y48 S61 D66 H67Y48-E63 HydrophobicContact CD1-CB 4.33Å; Y48-E63 HydrophobicContact CD1-CG 4.11Å; Y48-E63 HydrophobicContact CD2-CB 4.21Å; Y48-E63 HydrophobicContact CG-CB 3.89Å; Y48-E63 HydrophobicContact CG-CG 4.14Å; S61-E63 VanDerWaalsContact C-N 3.27Å; S61-E63 PolarHBondContact O-N 2.88Å; E63-D66 PolarHBondContact O-N 2.94Å; E63-H67 PolarHBondContact O-N 3.44Å; E63-H67 VanDerWaalsContact O-N 3.09Å
64F88.6Confident86.3Confident9 Ų957.8 Ų57.84%0.03931%0.309CS..Hα-helixtrans-66.7-44.9174.8176.7-99.6000111.3F32 F36 F46 C58 L59 S61 D66 H67 V68F32-F64 HydrophobicContact CB-CE2 4.12Å; F32-F64 HydrophobicContact CB-CZ 3.5Å; F32-F64 VanDerWaalsContact CB-CZ 3.5Å; F32-F64 HydrophobicContact CD1-CE2 4.04Å; F32-F64 HydrophobicContact CD1-CZ 4.24Å; F32-F64 HydrophobicContact CD2-CZ 4.39Å; F32-F64 HydrophobicContact CG-CE2 4.07Å; F32-F64 AromaticContact CG-CZ 3.81Å; F32-F64 HydrophobicContact CG-CZ 3.81Å; F36-F64 AromaticContact CE2-CE2 3.79Å; F36-F64 HydrophobicContact CE2-CE2 3.79Å; F36-F64 HydrophobicContact CE2-CZ 4.2Å; F36-F64 HydrophobicContact CZ-CE2 4.14Å; F46-F64 HydrophobicContact CD1-CD2 4.11Å; F46-F64 HydrophobicContact CE1-CD2 4.26Å; F46-F64 HydrophobicContact CE1-CE2 4.37Å; C58-F64 VanDerWaalsContact O-CB 3.27Å; C58-F64 WeakPolarHBondContact O-CB 3.14Å; C58-F64 WeakPolarHBondContact O-CG 3.26Å; L59-F64 VanDerWaalsContact C-CD1 3.5Å; L59-F64 HydrophobicContact CB-CE1 4.2Å; L59-F64 HydrophobicContact CD2-CD1 4.41Å; L59-F64 HydrophobicContact CD2-CE1 3.55Å; L59-F64 HydrophobicContact CD2-CE2 3.94Å; L59-F64 HydrophobicContact CD2-CZ 3.27Å; L59-F64 WeakPolarHBondContact O-CD1 3.19Å; L59-F64 WeakPolarHBondContact O-CE1 3.24Å; S61-F64 PolarHBondContact O-N 2.9Å; S61-F64 WeakPolarHBondContact OG-CB 3.33Å; S61-F64 PolarHBondContact OG-N 3.08Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 2.71Å; F64-H67 WeakPolarHBondContact O-CA 3.1Å; F64-H67 WeakPolarHBondContact O-CB 3.44Å; F64-H67 PolarHBondContact O-N 3.37Å; F64-V68 HydrophobicContact CD1-CG2 3.91Å; F64-V68 HydrophobicContact CE1-CG2 3.44Å; F64-V68 VanDerWaalsContact CE1-CG2 3.44Å; F64-V68 HydrophobicContact CE2-CG2 4.19Å; F64-V68 HydrophobicContact CG-CG2 4.47Å; F64-V68 HydrophobicContact CZ-CG2 3.6Å; F64-V68 WeakPolarHBondContact O-CG2 3.4Å; F64-V68 PolarHBondContact O-N 2.61Å
65L91.7Very high87.6Confident57 Ų5756.2 Ų56.230%0.29830%0.296SS..Hα-helixtrans-63.7-32.7177.6-66.4177.9000112.4V25 V29 S61 P62 V68 T69V25-L65 HydrophobicContact CG1-CD2 4.12Å; V29-L65 HydrophobicContact CG2-CD2 3.72Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.5Å; P62-L65 PolarHBondContact O-N 3.4Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-T69 WeakPolarHBondContact O-CB 3.35Å; L65-T69 PolarHBondContact O-N 2.7Å; L65-T69 PolarHBondContact O-OG1 3.43Å
66D92.6Very high88.9Confident78 Ų7853.5 Ų53.542%0.41729%0.287SS..Hα-helixtrans-64.5-42.7170.517666.6000111.6P62 E63 F64 T69 K70P62-D66 WeakPolarHBondContact O-CB 3.39Å; P62-D66 PolarHBondContact O-N 3.02Å; E63-D66 PolarHBondContact O-N 2.94Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 2.71Å; D66-T69 WeakPolarHBondContact O-CB 3.16Å; D66-T69 PolarHBondContact O-N 3.19Å; D66-K70 WeakPolarHBondContact O-CG 3.46Å; D66-K70 PolarHBondContact O-N 3.36Å; D66-K70 IonicContact OD1-NZ 2.67Å; D66-K70 WeakPolarHBondContact OD2-CE 3.45Å; D66-K70 IonicContact OD2-NZ 2.8Å; D66-K70 PolarHBondContact OD2-NZ 3.31Å
67H91.9Very high90.1Very high61 Ų6149.1 Ų49.128%0.28227%0.271SS..Hα-helixtrans-62.3-46.8173.4-175.181.9000112.2F32 F46 E63 F64 T69 K70 V71F32-H67 AromaticContact CE1-CD2 3.94Å; F32-H67 AromaticContact CE1-NE2 3.99Å; F32-H67 AromaticContact CZ-CD2 3.45Å; F32-H67 VanDerWaalsContact CZ-CD2 3.45Å; F32-H67 WeakPolarHBondContact CZ-CD2 3.45Å; F32-H67 AromaticContact CZ-NE2 3.54Å; F46-H67 AromaticContact CE1-CD2 3.54Å; F46-H67 AromaticContact CE1-CG 3.92Å; F46-H67 AromaticContact CE1-NE2 3.88Å; F46-H67 AromaticContact CZ-NE2 3.98Å; E63-H67 PolarHBondContact O-N 3.44Å; E63-H67 VanDerWaalsContact O-N 3.09Å; F64-H67 WeakPolarHBondContact O-CA 3.1Å; F64-H67 WeakPolarHBondContact O-CB 3.44Å; F64-H67 PolarHBondContact O-N 3.37Å; H67-T69 VanDerWaalsContact C-N 3.26Å; H67-T69 PolarHBondContact O-N 3.31Å; H67-K70 WeakPolarHBondContact O-CB 3.39Å; H67-K70 PolarHBondContact O-N 3.1Å; H67-K70 VanDerWaalsContact O-N 3.14Å; H67-V71 PolarHBondContact O-N 2.6Å
68V94.6Very high91.1Very high0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-55.1-45.9175173.80000110.3V25 V29 F32 F64 L65 K70 V71 M72V25-V68 HydrophobicContact CG1-CG1 4.23Å; V29-V68 HydrophobicContact CG2-CG1 4.45Å; F32-V68 HydrophobicContact CD2-CG2 3.73Å; F32-V68 HydrophobicContact CE2-CG2 4.07Å; F32-V68 HydrophobicContact CG-CG2 4.38Å; F64-V68 HydrophobicContact CD1-CG2 3.91Å; F64-V68 HydrophobicContact CE1-CG2 3.44Å; F64-V68 VanDerWaalsContact CE1-CG2 3.44Å; F64-V68 HydrophobicContact CE2-CG2 4.19Å; F64-V68 HydrophobicContact CG-CG2 4.47Å; F64-V68 HydrophobicContact CZ-CG2 3.6Å; F64-V68 WeakPolarHBondContact O-CG2 3.4Å; F64-V68 PolarHBondContact O-N 2.61Å; L65-V68 PolarHBondContact O-N 3.23Å; V68-K70 PolarHBondContact O-N 3.29Å; V68-V71 PolarHBondContact O-N 3.35Å; V68-M72 HydrophobicContact CG1-CG 4.37Å; V68-M72 WeakPolarHBondContact O-CG 3.48Å; V68-M72 PolarHBondContact O-N 2.8Å
69T96.1Very high92.2Very high49 Ų4945.5 Ų45.530%0.30125%0.252SS..Hα-helixtrans-58.5-47.5177.6-59.60000111.3V25 L65 D66 H67 V71 M72 L73V25-T69 WeakPolarHBondContact CG2-OG1 3.27Å; L65-T69 WeakPolarHBondContact O-CB 3.35Å; L65-T69 PolarHBondContact O-N 2.7Å; L65-T69 PolarHBondContact O-OG1 3.43Å; D66-T69 WeakPolarHBondContact O-CB 3.16Å; D66-T69 PolarHBondContact O-N 3.19Å; H67-T69 VanDerWaalsContact C-N 3.26Å; H67-T69 PolarHBondContact O-N 3.31Å; T69-V71 VanDerWaalsContact C-N 3.33Å; T69-V71 PolarHBondContact O-N 3.3Å; T69-M72 PolarHBondContact O-N 3.26Å; T69-L73 HydrophobicContact CG2-CD1 4.19Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 3.06Å
70K94.8Very high93.1Very high113 Ų11348.2 Ų48.249%0.49127%0.272SS..Hα-helixtrans-59.1-42.1177.1-73.2165.31781650112.1D66 H67 V68 L73 V74D66-K70 WeakPolarHBondContact O-CG 3.46Å; D66-K70 PolarHBondContact O-N 3.36Å; D66-K70 IonicContact OD1-NZ 2.67Å; D66-K70 WeakPolarHBondContact OD2-CE 3.45Å; D66-K70 IonicContact OD2-NZ 2.8Å; D66-K70 PolarHBondContact OD2-NZ 3.31Å; H67-K70 WeakPolarHBondContact O-CB 3.39Å; H67-K70 PolarHBondContact O-N 3.1Å; H67-K70 VanDerWaalsContact O-N 3.14Å; V68-K70 PolarHBondContact O-N 3.29Å; K70-L73 PolarHBondContact O-N 2.86Å; K70-V74 WeakPolarHBondContact O-CG2 3.47Å; K70-V74 PolarHBondContact O-N 3.24Å
71V94.3Very high93.7Very high29 Ų2948.9 Ų48.918%0.17627%0.268CS..Hα-helixtrans-65.8-44.2176.9176.10000111.3F32 H67 V68 T69 L73 V74 I75F32-V71 HydrophobicContact CE2-CB 4.19Å; F32-V71 HydrophobicContact CE2-CG1 4.33Å; F32-V71 HydrophobicContact CE2-CG2 4.12Å; F32-V71 HydrophobicContact CZ-CB 4.47Å; F32-V71 HydrophobicContact CZ-CG2 3.92Å; H67-V71 PolarHBondContact O-N 2.6Å; V68-V71 PolarHBondContact O-N 3.35Å; T69-V71 VanDerWaalsContact C-N 3.33Å; T69-V71 PolarHBondContact O-N 3.3Å; V71-L73 VanDerWaalsContact C-N 3.26Å; V71-L73 PolarHBondContact O-N 2.72Å; V71-V74 PolarHBondContact O-N 3.29Å; V71-V74 VanDerWaalsContact O-N 3.12Å; V71-I75 HydrophobicContact CG1-CD1 4.21Å; V71-I75 WeakPolarHBondContact O-CG1 3.16Å; V71-I75 PolarHBondContact O-N 3.09Å
72M97.4Very high94.2Very high6 Ų648 Ų483%0.0326%0.262CS..Hα-helixtrans-61.1-36.5176.4-65.7-57.7102.600112W17 K24 G28 M31 V68 T69 I75 D76W17-M72 HydrophobicContact CH2-SD 4.03Å; K24-M72 HydrophobicContact CB-CB 3.79Å; K24-M72 HydrophobicContact CB-CG 3.84Å; K24-M72 HydrophobicContact CB-SD 4.17Å; G28-M72 VanDerWaalsContact CA-SD 3.58Å; M31-M72 HydrophobicContact SD-CE 3.85Å; V68-M72 HydrophobicContact CG1-CG 4.37Å; V68-M72 WeakPolarHBondContact O-CG 3.48Å; V68-M72 PolarHBondContact O-N 2.8Å; T69-M72 PolarHBondContact O-N 3.26Å; M72-I75 HydrophobicContact CE-CD1 3.75Å; M72-I75 PolarHBondContact O-N 2.98Å; M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.46Å
73L96.6Very high94.4Very high105 Ų10548.5 Ų48.555%0.5526%0.259SS..Hα-helixtrans-67.3-35.8174.3-71.4171.7000112.9T69 K70 V71 D76 A77T69-L73 HydrophobicContact CG2-CD1 4.19Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 3.06Å; K70-L73 PolarHBondContact O-N 2.86Å; V71-L73 VanDerWaalsContact C-N 3.26Å; V71-L73 PolarHBondContact O-N 2.72Å; L73-D76 PolarHBondContact O-N 3.08Å; L73-A77 WeakPolarHBondContact O-CB 3.34Å; L73-A77 PolarHBondContact O-N 2.8Å
74V95.1Very high94.6Very high32 Ų3248 Ų4819%0.19426%0.259CS..Hα-helixtrans-65-42.71741700000110.9K70 V71 A77 A78 F91 L95K70-V74 WeakPolarHBondContact O-CG2 3.47Å; K70-V74 PolarHBondContact O-N 3.24Å; V71-V74 PolarHBondContact O-N 3.29Å; V71-V74 VanDerWaalsContact O-N 3.12Å; V74-A77 PolarHBondContact O-N 3.45Å; V74-A78 PolarHBondContact O-N 2.92Å; V74-F91 HydrophobicContact CG1-CE1 4.23Å; V74-F91 HydrophobicContact CG2-CE1 4.03Å; V74-F91 HydrophobicContact CG2-CZ 3.88Å; V74-L95 HydrophobicContact CG1-CD2 3.87Å; V74-L95 HydrophobicContact CG2-CD2 4.16Å
75I96.9Very high94.6Very high19 Ų1948.9 Ų48.910%0.09726%0.264CS..Hα-helixtrans-64.1-44.5175.5-62.6169.8000109.9W17 M31 V71 M72 A77 A78 V79 L116 W136W17-I75 HydrophobicContact CE3-CG2 4.27Å; W17-I75 HydrophobicContact CH2-CB 3.99Å; W17-I75 HydrophobicContact CH2-CG2 3.56Å; W17-I75 HydrophobicContact CZ2-CB 4.17Å; W17-I75 HydrophobicContact CZ2-CG2 3.85Å; W17-I75 HydrophobicContact CZ3-CG2 3.8Å; M31-I75 HydrophobicContact SD-CD1 4.36Å; V71-I75 HydrophobicContact CG1-CD1 4.21Å; V71-I75 WeakPolarHBondContact O-CG1 3.16Å; V71-I75 PolarHBondContact O-N 3.09Å; M72-I75 HydrophobicContact CE-CD1 3.75Å; M72-I75 PolarHBondContact O-N 2.98Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 3.34Å; I75-A78 WeakPolarHBondContact O-CB 3.37Å; I75-A78 PolarHBondContact O-N 2.87Å; I75-A78 VanDerWaalsContact O-N 3.12Å; I75-V79 HydrophobicContact CG2-CG2 4.35Å; I75-V79 WeakPolarHBondContact O-CG2 3.48Å; I75-V79 PolarHBondContact O-N 2.74Å; I75-L116 HydrophobicContact CD1-CD1 4.12Å; I75-W136 HydrophobicContact CG2-CH2 4.16Å; I75-W136 HydrophobicContact CG2-CZ3 3.89Å
76D97.3Very high94.4Very high62 Ų6252 Ų5233%0.33228%0.277SS..Hα-helixtrans-58.9-41.5176.7-168.175.7000112.5W17 M72 L73 V79 S80W17-D76 HydrophobicContact CZ2-CB 4.24Å; W17-D76 PolarHBondContact NE1-OD1 2.93Å; M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.46Å; L73-D76 PolarHBondContact O-N 3.08Å; D76-V79 PolarHBondContact O-N 2.91Å; D76-S80 WeakPolarHBondContact O-CB 3.39Å; D76-S80 PolarHBondContact O-N 3.48Å; D76-S80 PolarHBondContact O-OG 3.31Å
77A96Very high94.4Very high28 Ų2851.4 Ų51.423%0.23128%0.279CS..Hα-helixtrans-62.1-43.9174.100000111.6L73 V74 I75 S80 H81L73-A77 WeakPolarHBondContact O-CB 3.34Å; L73-A77 PolarHBondContact O-N 2.8Å; V74-A77 PolarHBondContact O-N 3.45Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 3.34Å; A77-S80 PolarHBondContact O-N 2.87Å; A77-H81 PolarHBondContact O-N 2.93Å; A77-H81 PolarHBondContact O-ND1 2.89Å
78A95.8Very high94.5Very high4 Ų449.4 Ų49.43%0.03327%0.27CS..Hα-helixtrans-62.3-43.5175.900000112V74 I75 S80 H81 L82 L85 L88 V143V74-A78 PolarHBondContact O-N 2.92Å; I75-A78 WeakPolarHBondContact O-CB 3.37Å; I75-A78 PolarHBondContact O-N 2.87Å; I75-A78 VanDerWaalsContact O-N 3.12Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 3.47Å; A78-H81 CarbonylContact O-C 3.53Å; A78-H81 PolarHBondContact O-N 2.95Å; A78-L82 PolarHBondContact O-N 3.35Å; A78-L85 HydrophobicContact CB-CD2 4.36Å; A78-L85 WeakPolarHBondContact O-CD2 3.44Å; A78-L88 HydrophobicContact CB-CD1 4.41Å; A78-V143 HydrophobicContact CB-CG2 4.3Å
79V97.3Very high94.4Very high7 Ų750.9 Ų50.94%0.04228%0.277CS..Hα-helixtrans-62.8-40.3175.8174.60000111.3I13 R14 W17 I75 D76 H81 L82 W136 M139I13-V79 HydrophobicContact CG2-CG1 4.24Å; I13-V79 HydrophobicContact CG2-CG2 3.79Å; R14-V79 HydrophobicContact CG-CG1 4.18Å; W17-V79 HydrophobicContact CB-CG1 4.01Å; W17-V79 HydrophobicContact CB-CG2 4.26Å; W17-V79 HydrophobicContact CD2-CG2 4.28Å; W17-V79 HydrophobicContact CG-CB 4.37Å; W17-V79 HydrophobicContact CG-CG1 4.09Å; W17-V79 HydrophobicContact CG-CG2 3.97Å; I75-V79 HydrophobicContact CG2-CG2 4.35Å; I75-V79 WeakPolarHBondContact O-CG2 3.48Å; I75-V79 PolarHBondContact O-N 2.74Å; D76-V79 PolarHBondContact O-N 2.91Å; V79-H81 VanDerWaalsContact C-N 3.3Å; V79-H81 PolarHBondContact O-N 3.32Å; V79-L82 HydrophobicContact CG1-CD1 4.24Å; V79-L82 VanDerWaalsContact O-CD1 3.25Å; V79-L82 WeakPolarHBondContact O-CD1 3.38Å; V79-L82 WeakPolarHBondContact O-CG 3.34Å; V79-L82 PolarHBondContact O-N 3.34Å; V79-W136 HydrophobicContact CG2-CH2 3.75Å; V79-W136 HydrophobicContact CG2-CZ3 4.26Å; V79-M139 HydrophobicContact CG2-SD 4.28Å
80S96.1Very high94.3Very high72 Ų7254.9 Ų54.950%0.50330%0.297SS..Hα-helixtrans-67-32.2179-62.70000112.4D76 A77 A78D76-S80 WeakPolarHBondContact O-CB 3.39Å; D76-S80 PolarHBondContact O-N 3.48Å; D76-S80 PolarHBondContact O-OG 3.31Å; A77-S80 PolarHBondContact O-N 2.87Å; A78-S80 VanDerWaalsContact C-N 3.33Å; A78-S80 PolarHBondContact O-N 3.47Å
81H95.5Very high94.2Very high79 Ų7954.2 Ų54.237%0.36629%0.294SS..THydrogen-bonded Turntrans-101.623-178.6-63.778.3000113.3A77 A78 V79 D83 D84 L85 S87 L88A77-H81 PolarHBondContact O-N 2.93Å; A77-H81 PolarHBondContact O-ND1 2.89Å; A78-H81 CarbonylContact O-C 3.53Å; A78-H81 PolarHBondContact O-N 2.95Å; V79-H81 VanDerWaalsContact C-N 3.3Å; V79-H81 PolarHBondContact O-N 3.32Å; H81-D83 PolarHBondContact O-N 3.03Å; H81-D84 CarbonylContact O-C 2.97Å; H81-D84 PolarHBondContact O-N 3.1Å; H81-L85 WeakPolarHBondContact O-CA 3.45Å; H81-L85 PolarHBondContact O-N 2.61Å; H81-S87 PolarHBondContact CD2-OG 3.47Å; H81-S87 VanDerWaalsContact CD2-OG 3.28Å; H81-L88 HydrophobicContact CB-CD1 3.92Å; H81-L88 HydrophobicContact CB-CG 4.1Å
82L94.8Very high94.2Very high5 Ų553.1 Ų53.13%0.02629%0.287CS..THydrogen-bonded Turntrans-55.8-26.3179.5-77.3167.2000114.7L5 K10 I13 R14 A78 V79 L85 M139L5-L82 HydrophobicContact CD1-CD2 3.43Å; L5-L82 VanDerWaalsContact CD1-CD2 3.43Å; K10-L82 HydrophobicContact CB-CB 4.4Å; K10-L82 HydrophobicContact CB-CD1 4.33Å; K10-L82 HydrophobicContact CD-CB 4.35Å; K10-L82 WeakPolarHBondContact CE-O 3.49Å; K10-L82 HydrophobicContact CG-CB 4.08Å; K10-L82 PolarHBondContact NZ-O 3.36Å; I13-L82 HydrophobicContact CB-CD1 3.93Å; I13-L82 HydrophobicContact CD1-CD1 4.48Å; I13-L82 HydrophobicContact CD1-CD2 4.01Å; I13-L82 HydrophobicContact CG2-CD1 3.73Å; I13-L82 HydrophobicContact CG2-CD2 4.43Å; R14-L82 HydrophobicContact CG-CD1 3.76Å; A78-L82 PolarHBondContact O-N 3.35Å; V79-L82 HydrophobicContact CG1-CD1 4.24Å; V79-L82 VanDerWaalsContact O-CD1 3.25Å; V79-L82 WeakPolarHBondContact O-CD1 3.38Å; V79-L82 WeakPolarHBondContact O-CG 3.34Å; V79-L82 PolarHBondContact O-N 3.34Å; L82-L85 HydrophobicContact CD2-CD1 4.5Å; L82-M139 HydrophobicContact CD2-CG 3.84Å; L82-M139 HydrophobicContact CD2-SD 3.78Å
83D93.4Very high94.1Very high107 Ų10754.3 Ų54.357%0.57229%0.293SS*.THydrogen-bonded Turntrans-81.4-19.8176.2-70.3-45.4000113.9K10 R14 H81K10-D83 VanDerWaalsContact CD-OD1 3.31Å; K10-D83 WeakPolarHBondContact CD-OD1 3.5Å; K10-D83 IonicContact NZ-OD1 3.34Å; K10-D83 PolarHBondContact NZ-OD1 3.39Å; R14-D83 IonicContact CZ-OD2 2.71Å; R14-D83 IonicContact NH1-OD2 3.67Å; R14-D83 PolarHBondContact NH1-OD2 2.92Å; R14-D83 VanDerWaalsContact NH1-OD2 3.1Å; R14-D83 IonicContact NH2-OD2 3.1Å; R14-D83 PolarHBondContact NH2-OD2 3.46Å; H81-D83 PolarHBondContact O-N 3.03Å
84D90.5Very high93.9Very high87 Ų8752.1 Ų52.147%0.46528%0.282SS..  trans-146.666.9177-1777.5000109.9H81 H86 S87H81-D84 CarbonylContact O-C 2.97Å; H81-D84 PolarHBondContact O-N 3.1Å; D84-H86 PolarHBondContact O-N 3.14Å; D84-H86 PolarHBondContact OD1-N 3.46Å; D84-S87 WeakPolarHBondContact O-CB 3.28Å; D84-S87 PolarHBondContact O-N 3.3Å; D84-S87 PolarHBondContact O-OG 2.98Å; D84-S87 PolarHBondContact OD1-N 2.89Å; D84-S87 VanDerWaalsContact OD1-N 3.11Å
85L88.2Confident93.8Very high26 Ų2652 Ų5214%0.13628%0.28CS..G310 helixtrans-64.2-21.3178-78.4175000111.8L5 A78 H81 L82 S87 L88 I142L5-L85 HydrophobicContact CD1-CD1 4.11Å; A78-L85 HydrophobicContact CB-CD2 4.36Å; A78-L85 WeakPolarHBondContact O-CD2 3.44Å; H81-L85 WeakPolarHBondContact O-CA 3.45Å; H81-L85 PolarHBondContact O-N 2.61Å; L82-L85 HydrophobicContact CD2-CD1 4.5Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.85Å; L85-L88 HydrophobicContact CD2-CD1 4.46Å; L85-L88 PolarHBondContact O-N 3.06Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-I142 HydrophobicContact CD1-CD1 4.19Å; L85-I142 HydrophobicContact CD1-CG2 4.1Å
86H87.5Confident93.6Very high124 Ų12451.1 Ų51.157%0.57428%0.276SS*.G310 helixtrans-65.5-30.8177.8-173.760.1000111.8D84 L88 E89D84-H86 PolarHBondContact O-N 3.14Å; D84-H86 PolarHBondContact OD1-N 3.46Å; H86-L88 PolarHBondContact O-N 2.96Å; H86-E89 IonicContact CE1-OE2 2.94Å; H86-E89 PolarHBondContact CE1-OE2 3.34Å; H86-E89 IonicContact CG-OE2 3.99Å; H86-E89 IonicContact ND1-OE2 3.22Å; H86-E89 PolarHBondContact ND1-OE2 2.91Å; H86-E89 WeakPolarHBondContact O-CB 3.36Å; H86-E89 PolarHBondContact O-N 3.45Å
87S92.3Very high93.4Very high64 Ų6452.9 Ų52.945%0.44828%0.278SS..G310 helixtrans-55.6-23.3171.269.20000114.3H81 D84 L85H81-S87 PolarHBondContact CD2-OG 3.47Å; H81-S87 VanDerWaalsContact CD2-OG 3.28Å; D84-S87 WeakPolarHBondContact O-CB 3.28Å; D84-S87 PolarHBondContact O-N 3.3Å; D84-S87 PolarHBondContact O-OG 2.98Å; D84-S87 PolarHBondContact OD1-N 2.89Å; D84-S87 VanDerWaalsContact OD1-N 3.11Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.85Å
88L93.4Very high93.2Very high20 Ų2057.4 Ų57.411%0.10529%0.292CS..G310 helixtrans-91.61.9177.2-60.8-179.9000113.5A78 H81 L85 H86 D90 F91 L92A78-L88 HydrophobicContact CB-CD1 4.41Å; H81-L88 HydrophobicContact CB-CD1 3.92Å; H81-L88 HydrophobicContact CB-CG 4.1Å; L85-L88 HydrophobicContact CD2-CD1 4.46Å; L85-L88 PolarHBondContact O-N 3.06Å; L85-L88 VanDerWaalsContact O-N 3.12Å; H86-L88 PolarHBondContact O-N 2.96Å; L88-D90 PolarHBondContact O-N 2.96Å; L88-F91 WeakPolarHBondContact O-CB 3.22Å; L88-F91 PolarHBondContact O-N 3.27Å; L88-L92 HydrophobicContact CB-CD1 4.13Å; L88-L92 HydrophobicContact CB-CG 4.2Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.09Å
89E92.6Very high92.9Very high31 Ų3159.4 Ų59.415%0.14530%0.301CS..Hα-helixtrans-58-53.2-169.7178.3153.7-178.400113M2 H86 F91 L92 L93 V146 R149M2-E89 WeakPolarHBondContact CE-OE2 3.46Å; H86-E89 IonicContact CE1-OE2 2.94Å; H86-E89 PolarHBondContact CE1-OE2 3.34Å; H86-E89 IonicContact CG-OE2 3.99Å; H86-E89 IonicContact ND1-OE2 3.22Å; H86-E89 PolarHBondContact ND1-OE2 2.91Å; H86-E89 WeakPolarHBondContact O-CB 3.36Å; H86-E89 PolarHBondContact O-N 3.45Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 3.12Å; E89-L92 PolarHBondContact O-N 2.92Å; E89-L93 HydrophobicContact CG-CD1 3.84Å; E89-L93 HydrophobicContact CG-CG 4.27Å; E89-L93 WeakPolarHBondContact O-CB 3.37Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.31Å; E89-L93 PolarHBondContact O-N 3.23Å; E89-V146 HydrophobicContact CG-CG1 4.08Å; E89-R149 IonicContact OE1-CZ 2.7Å; E89-R149 IonicContact OE1-NH1 3.86Å; E89-R149 PolarHBondContact OE1-NH1 3.11Å; E89-R149 IonicContact OE1-NH2 2.61Å; E89-R149 PolarHBondContact OE1-NH2 2.74Å; E89-R149 IonicContact OE2-NH2 2.97Å
90D93.6Very high92.6Very high133 Ų13362 Ų6271%0.71131%0.313SS*.Hα-helixtrans-62.3-37.3179.7-76.5-27.1000112.5L88 N94L88-D90 PolarHBondContact O-N 2.96Å; D90-N94 WeakPolarHBondContact O-CB 3.28Å; D90-N94 PolarHBondContact O-N 3.08Å
91F94.1Very high92.2Very high99 Ų9962.8 Ų62.843%0.43432%0.323SS..Hα-helixtrans-62.8-49175.8172.4-100.1000111.1V74 L88 E89 N94 L95V74-F91 HydrophobicContact CG1-CE1 4.23Å; V74-F91 HydrophobicContact CG2-CE1 4.03Å; V74-F91 HydrophobicContact CG2-CZ 3.88Å; L88-F91 WeakPolarHBondContact O-CB 3.22Å; L88-F91 PolarHBondContact O-N 3.27Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 3.12Å; F91-N94 PolarHBondContact O-N 2.67Å; F91-L95 HydrophobicContact CE1-CD2 4.31Å; F91-L95 WeakPolarHBondContact O-CB 3.35Å; F91-L95 PolarHBondContact O-N 3.35Å
92L94.1Very high91.8Very high6 Ų663.3 Ų63.33%0.03133%0.331CS..Hα-helixtrans-69-37.9-179.5-69.5178000112.3L88 E89 N94 L95 G96 V143 V146 M147L88-L92 HydrophobicContact CB-CD1 4.13Å; L88-L92 HydrophobicContact CB-CG 4.2Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.09Å; E89-L92 PolarHBondContact O-N 2.92Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.06Å; L92-L95 HydrophobicContact CD2-CD2 4.41Å; L92-L95 PolarHBondContact O-N 3.06Å; L92-G96 PolarHBondContact O-N 3Å; L92-V143 HydrophobicContact CD1-CG1 4.24Å; L92-V143 HydrophobicContact CD1-CG2 4.37Å; L92-V143 HydrophobicContact CD2-CG1 3.93Å; L92-V146 HydrophobicContact CB-CB 4.02Å; L92-V146 HydrophobicContact CB-CG1 3.48Å; L92-V146 VanDerWaalsContact CB-CG1 3.48Å; L92-V146 HydrophobicContact CD1-CB 4.12Å; L92-V146 HydrophobicContact CD1-CG1 4.21Å; L92-V146 HydrophobicContact CD1-CG2 4.35Å; L92-V146 HydrophobicContact CG-CG1 4.5Å; L92-M147 HydrophobicContact CB-CG 4.17Å; L92-M147 HydrophobicContact CD2-CG 4.28Å; L92-M147 WeakPolarHBondContact O-CG 3.35Å
93L94.4Very high91.3Very high31 Ų3165.7 Ų65.716%0.16236%0.357CS..Hα-helixtrans-58.2-46.5172.1-75.5170.7000110.9E89 G96 R97 V146 R149E89-L93 HydrophobicContact CG-CD1 3.84Å; E89-L93 HydrophobicContact CG-CG 4.27Å; E89-L93 WeakPolarHBondContact O-CB 3.37Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.31Å; E89-L93 PolarHBondContact O-N 3.23Å; L93-G96 PolarHBondContact O-N 3.16Å; L93-R97 PolarHBondContact O-N 2.81Å; L93-R97 VanDerWaalsContact O-N 3.08Å; L93-V146 HydrophobicContact CD2-CG1 4.38Å; L93-V146 WeakPolarHBondContact CD2-O 3.39Å; L93-V146 HydrophobicContact CG-CG1 4.07Å; L93-R149 HydrophobicContact CD2-CB 3.65Å
94N93.8Very high91Very high59 Ų5961.6 Ų61.632%0.31634%0.336SS..Hα-helixtrans-66.9-39177.7-168.453.7000112.5D90 F91 L92 G96 R97 K98D90-N94 WeakPolarHBondContact O-CB 3.28Å; D90-N94 PolarHBondContact O-N 3.08Å; F91-N94 PolarHBondContact O-N 2.67Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.06Å; N94-G96 VanDerWaalsContact C-N 3.26Å; N94-G96 PolarHBondContact O-N 2.91Å; N94-R97 PolarHBondContact O-N 3.21Å; N94-R97 PolarHBondContact OD1-NH2 3.18Å; N94-R97 VanDerWaalsContact OD1-NH2 3.09Å; N94-K98 WeakPolarHBondContact O-CG 3.37Å; N94-K98 PolarHBondContact O-N 3.28Å; N94-K98 VanDerWaalsContact O-N 3.09Å
95L92.8Very high90.7Very high30 Ų3059.9 Ų59.916%0.15733%0.331CS..Hα-helixtrans-61.2-40174.6-169.862.5000110.7V74 F91 L92 K98 H99 M147V74-L95 HydrophobicContact CG1-CD2 3.87Å; V74-L95 HydrophobicContact CG2-CD2 4.16Å; F91-L95 HydrophobicContact CE1-CD2 4.31Å; F91-L95 WeakPolarHBondContact O-CB 3.35Å; F91-L95 PolarHBondContact O-N 3.35Å; L92-L95 HydrophobicContact CD2-CD2 4.41Å; L92-L95 PolarHBondContact O-N 3.06Å; L95-K98 PolarHBondContact O-N 3.34Å; L95-H99 PolarHBondContact O-N 3.45Å; L95-H99 VanDerWaalsContact O-N 3.08Å; L95-H99 PolarHBondContact O-ND1 3.44Å; L95-M147 HydrophobicContact CB-CE 4.17Å; L95-M147 HydrophobicContact CD2-CE 3.83Å; L95-M147 HydrophobicContact CD2-SD 4.1Å; L95-M147 HydrophobicContact CG-CE 3.68Å
96G92.8Very high90.3Very high0 Ų062 Ų620%035%0.345CS..Hα-helixtrans-60.2-48.6173.900000113.1L92 L93 N94 K98 H99 Q100 W151L92-G96 PolarHBondContact O-N 3Å; L93-G96 PolarHBondContact O-N 3.16Å; N94-G96 VanDerWaalsContact C-N 3.26Å; N94-G96 PolarHBondContact O-N 2.91Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.2Å; G96-H99 PolarHBondContact O-N 3.3Å; G96-Q100 PolarHBondContact O-N 3.06Å; G96-W151 WeakPolarHBondContact O-CH2 3.33Å; G96-W151 WeakPolarHBondContact O-CZ3 3.45Å
97R92.7Very high90.1Very high98 Ų9863.1 Ų63.137%0.3735%0.351SS..Hα-helixtrans-54.7-40.9174.2-72.3-173.7-64.5-137.9-1.6112.9L93 N94 Q100 A101 G150L93-R97 PolarHBondContact O-N 2.81Å; L93-R97 VanDerWaalsContact O-N 3.08Å; N94-R97 PolarHBondContact O-N 3.21Å; N94-R97 PolarHBondContact OD1-NH2 3.18Å; N94-R97 VanDerWaalsContact OD1-NH2 3.09Å; R97-Q100 PolarHBondContact O-N 3.19Å; R97-A101 WeakPolarHBondContact O-CB 3.33Å; R97-A101 PolarHBondContact O-N 3.5Å; R97-G150 WeakPolarHBondContact CG-O 3.46Å
98K90.9Very high89.9Confident123 Ų12360.4 Ų60.454%0.53533%0.332SS..Hα-helixtrans-64.4-42.4177.2-70.4176.6-179.5-179.60111.9N94 L95 G96 A101 V102N94-K98 WeakPolarHBondContact O-CG 3.37Å; N94-K98 PolarHBondContact O-N 3.28Å; N94-K98 VanDerWaalsContact O-N 3.09Å; L95-K98 PolarHBondContact O-N 3.34Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.2Å; K98-A101 PolarHBondContact O-N 3.32Å; K98-V102 PolarHBondContact O-N 3.42Å
99H90.9Very high89.6Confident47 Ų4760.1 Ų60.122%0.21833%0.329CS..Hα-helixtrans-65.9-41.2177.6-77.580.7000111.6L95 G96 A101 V102 G103 V104 W151L95-H99 PolarHBondContact O-N 3.45Å; L95-H99 VanDerWaalsContact O-N 3.08Å; L95-H99 PolarHBondContact O-ND1 3.44Å; G96-H99 PolarHBondContact O-N 3.3Å; H99-A101 VanDerWaalsContact C-N 3.34Å; H99-A101 PolarHBondContact O-N 3.11Å; H99-V102 VanDerWaalsContact O-CG2 3.28Å; H99-V102 WeakPolarHBondContact O-CG2 3.26Å; H99-V102 PolarHBondContact O-N 2.57Å; H99-G103 PolarHBondContact O-N 3.05Å; H99-V104 HydrophobicContact CB-CB 4.17Å; H99-V104 WeakPolarHBondContact O-CB 3.41Å; H99-V104 PolarHBondContact O-N 3.04Å; H99-W151 HydrophobicContact CB-CH2 3.46Å; H99-W151 VanDerWaalsContact CB-CH2 3.46Å; H99-W151 HydrophobicContact CB-CZ2 3.94Å; H99-W151 HydrophobicContact CB-CZ3 4.47Å
100Q89.8Confident89.6Confident62 Ų6263.1 Ų63.129%0.2935%0.35SS..Hα-helixtrans-57.5-47.1171.7-174.2-177.830.700111.6G96 R97 V102 G103 W151G96-Q100 PolarHBondContact O-N 3.06Å; R97-Q100 PolarHBondContact O-N 3.19Å; Q100-V102 PolarHBondContact O-N 3.22Å; Q100-G103 PolarHBondContact O-N 3.45Å; Q100-W151 HydrophobicContact CB-CD2 3.86Å; Q100-W151 HydrophobicContact CB-CG 4.07Å; Q100-W151 HydrophobicContact CB-CZ2 3.9Å; Q100-W151 HydrophobicContact CG-CD2 4.34Å; Q100-W151 HydrophobicContact CG-CG 4.03Å; Q100-W151 PolarHBondContact NE2-O 3.26Å; Q100-W151 PolarHBondContact OE1-O 3.36Å
101A88.4Confident89.6Confident87 Ų8759.2 Ų59.272%0.71933%0.328SS*.Hα-helixtrans-64.1-27.1-176.700000113.5R97 K98 H99 G103R97-A101 WeakPolarHBondContact O-CB 3.33Å; R97-A101 PolarHBondContact O-N 3.5Å; K98-A101 PolarHBondContact O-N 3.32Å; H99-A101 VanDerWaalsContact C-N 3.34Å; H99-A101 PolarHBondContact O-N 3.11Å; A101-G103 VanDerWaalsContact C-N 3.33Å
102V86.2Confident89.6Confident90 Ų9056.1 Ų56.155%0.54532%0.317SS..THydrogen-bonded Turntrans-92.610.5176-570000113.2L45 K98 H99 Q100 V104L45-V102 WeakPolarHBondContact CD2-O 3.49Å; K98-V102 PolarHBondContact O-N 3.42Å; H99-V102 VanDerWaalsContact O-CG2 3.28Å; H99-V102 WeakPolarHBondContact O-CG2 3.26Å; H99-V102 PolarHBondContact O-N 2.57Å; Q100-V102 PolarHBondContact O-N 3.22Å; V102-V104 HydrophobicContact CG2-CG2 4.08Å
103G83.9Confident89.7Confident55 Ų5556 Ų5657%0.56732%0.317SS*.THydrogen-bonded Turntrans85.410.2173.600000115.3H99 Q100 A101 S105H99-G103 PolarHBondContact O-N 3.05Å; Q100-G103 PolarHBondContact O-N 3.45Å; A101-G103 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 3.03Å
104V87.4Confident89.8Confident22 Ų2258.9 Ų58.913%0.13333%0.33CS..  trans-69.6127.8171.91760000109.1L45 H99 V102L45-V104 HydrophobicContact CD1-CG2 3.7Å; H99-V104 HydrophobicContact CB-CB 4.17Å; H99-V104 WeakPolarHBondContact O-CB 3.41Å; H99-V104 PolarHBondContact O-N 3.04Å; V102-V104 HydrophobicContact CG2-CG2 4.08Å
105S84.2Confident90Very high50 Ų5056.1 Ų56.135%0.3532%0.315SS..  trans-82.6155.8174.3840000110.8G103 Q107 S108G103-S105 PolarHBondContact O-N 3.03Å; S105-Q107 PolarHBondContact O-N 3.21Å; S105-Q107 PolarHBondContact OG-N 3.34Å; S105-S108 WeakPolarHBondContact O-CB 3.36Å; S105-S108 PolarHBondContact O-N 2.93Å; S105-S108 VanDerWaalsContact O-N 3.14Å; S105-S108 PolarHBondContact OG-N 3.36Å; S105-S108 PolarHBondContact OG-OG 3.03Å
106T80.6Confident90.3Very high72 Ų7254.8 Ų54.844%0.44231%0.308SS..THydrogen-bonded Turntrans-65.2-24.3172.852.50000112.5S108 F109 W151T106-S108 PolarHBondContact O-N 3.29Å; T106-F109 PolarHBondContact O-N 3.45Å; T106-W151 HydrophobicContact CG2-CD2 4.08Å; T106-W151 HydrophobicContact CG2-CG 4.08Å
107Q83.6Confident90.6Very high147 Ų14755.1 Ų55.169%0.68731%0.31SS*.THydrogen-bonded Turntrans-63.6-34.5174.9-65.1179.2-6.300110.9S105 F109 T110S105-Q107 PolarHBondContact O-N 3.21Å; S105-Q107 PolarHBondContact OG-N 3.34Å; Q107-F109 PolarHBondContact O-N 3.48Å; Q107-F109 VanDerWaalsContact O-N 3.11Å; Q107-T110 WeakPolarHBondContact O-CB 3.4Å; Q107-T110 PolarHBondContact O-N 3.4Å; Q107-T110 PolarHBondContact O-OG1 2.86Å
108S87.1Confident90.8Very high7 Ų754.4 Ų54.45%0.04931%0.307CS..Hα-helixtrans-62.2-21-179.9-51.40000114S105 T106 T110 E111 V112S105-S108 WeakPolarHBondContact O-CB 3.36Å; S105-S108 PolarHBondContact O-N 2.93Å; S105-S108 VanDerWaalsContact O-N 3.14Å; S105-S108 PolarHBondContact OG-N 3.36Å; S105-S108 PolarHBondContact OG-OG 3.03Å; T106-S108 PolarHBondContact O-N 3.29Å; S108-T110 PolarHBondContact O-N 2.99Å; S108-E111 VanDerWaalsContact CA-OE2 3.24Å; S108-E111 WeakPolarHBondContact CA-OE2 3.03Å; S108-E111 PolarHBondContact O-N 2.86Å; S108-V112 VanDerWaalsContact O-CG2 3.31Å; S108-V112 WeakPolarHBondContact O-CG2 3.39Å; S108-V112 PolarHBondContact O-N 3.22Å
109F88.6Confident91.2Very high13 Ų1348.5 Ų48.56%0.05728%0.282CS..Hα-helixtrans-66.1-21.1172-69.9-52.3000113.4T106 Q107 G113 Y140 V144 M147 W151T106-F109 PolarHBondContact O-N 3.45Å; Q107-F109 PolarHBondContact O-N 3.48Å; Q107-F109 VanDerWaalsContact O-N 3.11Å; F109-G113 PolarHBondContact O-N 3.35Å; F109-Y140 WeakPolarHBondContact O-CE1 3.37Å; F109-Y140 PolarHBondContact O-OH 3.14Å; F109-V144 HydrophobicContact CB-CG1 3.8Å; F109-V144 HydrophobicContact CB-CG2 4Å; F109-V144 HydrophobicContact CD1-CG2 4.24Å; F109-V144 HydrophobicContact CD2-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG1 3.93Å; F109-V144 HydrophobicContact CG-CG2 4.13Å; F109-M147 HydrophobicContact CE1-CE 3.92Å; F109-M147 HydrophobicContact CE1-SD 4.36Å; F109-M147 HydrophobicContact CZ-CB 4.21Å; F109-M147 HydrophobicContact CZ-CE 3.83Å; F109-M147 HydrophobicContact CZ-SD 4.46Å; F109-W151 AromaticContact CE2-CH2 3.42Å; F109-W151 HydrophobicContact CE2-CH2 3.42Å; F109-W151 VanDerWaalsContact CE2-CH2 3.42Å; F109-W151 HydrophobicContact CE2-CZ2 4.04Å; F109-W151 AromaticContact CE2-CZ3 3.68Å; F109-W151 HydrophobicContact CE2-CZ3 3.68Å; F109-W151 AromaticContact CZ-CH2 3.35Å; F109-W151 HydrophobicContact CZ-CH2 3.35Å; F109-W151 HydrophobicContact CZ-CZ2 4.24Å; F109-W151 AromaticContact CZ-CZ3 3.76Å; F109-W151 HydrophobicContact CZ-CZ3 3.76Å
110T91.5Very high91.6Very high94 Ų9446.3 Ų46.358%0.57727%0.272SS*.Hα-helixtrans-68.5-49.4173.6-50.40000109.8Q107 S108 V112 G113 E114Q107-T110 WeakPolarHBondContact O-CB 3.4Å; Q107-T110 PolarHBondContact O-N 3.4Å; Q107-T110 PolarHBondContact O-OG1 2.86Å; S108-T110 PolarHBondContact O-N 2.99Å; T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.4Å; T110-G113 PolarHBondContact O-N 2.99Å; T110-E114 PolarHBondContact O-N 3.31Å
111E94.5Very high92Very high52 Ų5248.3 Ų48.324%0.24328%0.281CS..Hα-helixtrans-64.5-36.7177.4-62.7105.3-143.400112.3L35 L38 S108 G113 E114 S115L35-E111 HydrophobicContact CD1-CB 3.63Å; L38-E111 HydrophobicContact CB-CB 4.27Å; L38-E111 HydrophobicContact CB-CG 4.04Å; L38-E111 HydrophobicContact CD1-CB 4.22Å; S108-E111 VanDerWaalsContact CA-OE2 3.24Å; S108-E111 WeakPolarHBondContact CA-OE2 3.03Å; S108-E111 PolarHBondContact O-N 2.86Å; E111-G113 VanDerWaalsContact C-N 3.35Å; E111-E114 PolarHBondContact O-N 3.39Å; E111-S115 VanDerWaalsContact O-CB 3.23Å; E111-S115 WeakPolarHBondContact O-CB 3.2Å; E111-S115 PolarHBondContact O-N 3.29Å; E111-S115 PolarHBondContact O-OG 3.4Å
112V94.1Very high92.4Very high33 Ų3347.2 Ų47.220%0.227%0.267CS..Hα-helixtrans-62.4-41.9174.8172.40000111.3M31 L35 S108 T110 S115 L116 Y140M31-V112 HydrophobicContact CE-CG1 3.61Å; L35-V112 HydrophobicContact CD1-CG2 3.87Å; L35-V112 HydrophobicContact CD2-CG2 4.06Å; S108-V112 VanDerWaalsContact O-CG2 3.31Å; S108-V112 WeakPolarHBondContact O-CG2 3.39Å; S108-V112 PolarHBondContact O-N 3.22Å; T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.4Å; V112-S115 PolarHBondContact O-N 3.06Å; V112-L116 PolarHBondContact O-N 3.49Å; V112-Y140 WeakPolarHBondContact CB-OH 3.28Å; V112-Y140 HydrophobicContact CG1-CE2 4.1Å; V112-Y140 WeakPolarHBondContact CG1-OH 3.42Å
113G95.8Very high93Very high4 Ų444.4 Ų44.44%0.04125%0.252CS..Hα-helixtrans-64.3-47.2177.100000112.2F109 T110 E111 S115 L116 L117 Y140F109-G113 PolarHBondContact O-N 3.35Å; T110-G113 PolarHBondContact O-N 2.99Å; E111-G113 VanDerWaalsContact C-N 3.35Å; G113-S115 VanDerWaalsContact C-N 3.28Å; G113-S115 PolarHBondContact O-N 2.94Å; G113-L116 PolarHBondContact O-N 3.18Å; G113-L117 WeakPolarHBondContact O-CG 3.43Å; G113-L117 PolarHBondContact O-N 2.96Å; G113-Y140 VanDerWaalsContact CA-CZ 3.42Å; G113-Y140 PolarHBondContact N-OH 3.3Å
114E96.8Very high93.6Very high92 Ų9242.9 Ų42.943%0.4323%0.23SC..Hα-helixtrans-60.9-38.7175-70.2-60151.300111.9L38 T110 E111 L117 Y118L38-E114 HydrophobicContact CD1-CB 4.13Å; T110-E114 PolarHBondContact O-N 3.31Å; E111-E114 PolarHBondContact O-N 3.39Å; E114-L117 PolarHBondContact O-N 3.47Å; E114-Y118 WeakPolarHBondContact O-CB 3.47Å; E114-Y118 PolarHBondContact O-N 3.39Å
115S97.9Very high94.1Very high0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-67.8-38.2178-60.60000112.9M31 L35 E111 V112 G113 M119M31-S115 WeakPolarHBondContact O-CB 3.4Å; L35-S115 VanDerWaalsContact CA-OG 3.23Å; L35-S115 WeakPolarHBondContact CA-OG 3.27Å; L35-S115 PolarHBondContact N-OG 3.47Å; E111-S115 VanDerWaalsContact O-CB 3.23Å; E111-S115 WeakPolarHBondContact O-CB 3.2Å; E111-S115 PolarHBondContact O-N 3.29Å; E111-S115 PolarHBondContact O-OG 3.4Å; V112-S115 PolarHBondContact O-N 3.06Å; G113-S115 VanDerWaalsContact C-N 3.28Å; G113-S115 PolarHBondContact O-N 2.94Å; S115-M119 WeakPolarHBondContact O-CB 3.11Å; S115-M119 PolarHBondContact O-N 3.19Å
116L98.2Very high94.7Very high3 Ų351.1 Ų51.12%0.01627%0.274CS..Hα-helixtrans-62-48.1172.1170.958.9000110.9M31 I75 V112 G113 Y118 M119 L120 W136 Y140M31-L116 HydrophobicContact CE-CB 4.15Å; M31-L116 HydrophobicContact SD-CB 4.29Å; M31-L116 HydrophobicContact SD-CD1 4.46Å; I75-L116 HydrophobicContact CD1-CD1 4.12Å; V112-L116 PolarHBondContact O-N 3.49Å; G113-L116 PolarHBondContact O-N 3.18Å; L116-Y118 VanDerWaalsContact C-N 3.34Å; L116-Y118 PolarHBondContact O-N 3.48Å; L116-M119 HydrophobicContact CD1-CE 3.55Å; L116-M119 PolarHBondContact O-N 3.28Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.34Å; L116-L120 HydrophobicContact CG-CD1 4.2Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.07Å; L116-W136 HydrophobicContact CD2-CE3 4.28Å; L116-Y140 HydrophobicContact CD2-CD2 3.89Å; L116-Y140 HydrophobicContact CD2-CG 4.39Å
117L98.5Very high95.5Very high7 Ų750.7 Ų50.74%0.03728%0.277CS..Hα-helixtrans-63.9-39.6179-67.5-178.2000112G113 E114 L120 Q121 Y128 R133 W136 L137G113-L117 WeakPolarHBondContact O-CG 3.43Å; G113-L117 PolarHBondContact O-N 2.96Å; E114-L117 PolarHBondContact O-N 3.47Å; L117-L120 HydrophobicContact CD2-CD1 4.42Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 PolarHBondContact O-N 2.92Å; L117-Y128 PolarHBondContact O-OH 3.29Å; L117-R133 HydrophobicContact CD1-CG 4.27Å; L117-R133 HydrophobicContact CD2-CG 4.28Å; L117-W136 HydrophobicContact CD2-CB 3.86Å; L117-L137 HydrophobicContact CD1-CD1 4.43Å
118Y98.6Very high96.2Very high82 Ų8245.3 Ų45.332%0.32225%0.251SS..Hα-helixtrans-61.9-46.7173.8177.6-95.6000111.8I30 R34 E114 L116 L120 Q121 C122I30-Y118 HydrophobicContact CG2-CD1 4.11Å; I30-Y118 HydrophobicContact CG2-CE1 3.9Å; R34-Y118 HydrophobicContact CB-CD1 3.6Å; R34-Y118 HydrophobicContact CB-CE1 4.08Å; R34-Y118 HydrophobicContact CB-CG 4.25Å; R34-Y118 HydrophobicContact CG-CD1 3.62Å; R34-Y118 HydrophobicContact CG-CD2 4.47Å; R34-Y118 HydrophobicContact CG-CE1 4.26Å; R34-Y118 HydrophobicContact CG-CG 3.73Å; E114-Y118 WeakPolarHBondContact O-CB 3.47Å; E114-Y118 PolarHBondContact O-N 3.39Å; L116-Y118 VanDerWaalsContact C-N 3.34Å; L116-Y118 PolarHBondContact O-N 3.48Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.33Å; Y118-Q121 WeakPolarHBondContact O-CB 3.32Å; Y118-Q121 PolarHBondContact O-N 3.37Å; Y118-C122 VanDerWaalsContact CE1-SG 3.6Å; Y118-C122 PolarHBondContact O-N 2.94Å; Y118-C122 PolarHBondContact O-SG 3.37Å
119M98.4Very high96.7Very high0 Ų047.9 Ų47.90%027%0.267CS..Hα-helixtrans-57-45.9175.8172-78.8-79.400111.5W17 L20 H27 I30 M31 S115 L116 Q121 C122 S123W17-M119 HydrophobicContact CZ3-CE 4.19Å; L20-M119 HydrophobicContact CD1-SD 4.33Å; H27-M119 HydrophobicContact CB-CG 4.02Å; H27-M119 HydrophobicContact CB-SD 3.79Å; H27-M119 WeakPolarHBondContact O-CG 3.34Å; I30-M119 HydrophobicContact CB-CG 4.36Å; I30-M119 HydrophobicContact CG2-CB 4.34Å; M31-M119 HydrophobicContact CB-CB 3.83Å; M31-M119 HydrophobicContact CB-CG 4.11Å; S115-M119 WeakPolarHBondContact O-CB 3.11Å; S115-M119 PolarHBondContact O-N 3.19Å; L116-M119 HydrophobicContact CD1-CE 3.55Å; L116-M119 PolarHBondContact O-N 3.28Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 3.44Å; M119-C122 PolarHBondContact O-N 3.36Å; M119-S123 VanDerWaalsContact O-CB 3.22Å; M119-S123 WeakPolarHBondContact O-CB 3.41Å; M119-S123 PolarHBondContact O-N 2.96Å; M119-S123 PolarHBondContact O-OG 3.23Å
120L98.6Very high97.2Very high0 Ų051 Ų510%030%0.295CS..Hα-helixtrans-62.4-42.3178.1-71.3164.4000111.2L20 L116 L117 Y118 S123 L124 Y128 W136L20-L120 HydrophobicContact CD1-CD2 4.25Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.34Å; L116-L120 HydrophobicContact CG-CD1 4.2Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.07Å; L117-L120 HydrophobicContact CD2-CD1 4.42Å; L117-L120 PolarHBondContact O-N 3.31Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.33Å; L120-S123 PolarHBondContact O-N 3.36Å; L120-L124 HydrophobicContact CB-CD1 4.21Å; L120-L124 HydrophobicContact CD2-CD1 4.12Å; L120-L124 VanDerWaalsContact O-CB 3.23Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 3.3Å; L120-Y128 HydrophobicContact CB-CD2 4.01Å; L120-Y128 HydrophobicContact CB-CE2 3.75Å; L120-W136 HydrophobicContact CD1-CB 3.99Å; L120-W136 HydrophobicContact CD1-CD2 3.4Å; L120-W136 HydrophobicContact CD1-CE3 3.85Å; L120-W136 HydrophobicContact CD1-CG 3.45Å; L120-W136 VanDerWaalsContact CD1-CG 3.45Å; L120-W136 HydrophobicContact CD1-CZ2 4.4Å; L120-W136 HydrophobicContact CD1-CZ3 4.49Å; L120-W136 HydrophobicContact CD2-CD2 4.42Å; L120-W136 HydrophobicContact CD2-CH2 4.49Å; L120-W136 HydrophobicContact CD2-CZ2 3.94Å
121Q98.4Very high97.5Very high104 Ų10449.9 Ų49.949%0.48629%0.289SS..Hα-helixtrans-59.5-50176.3-176.5177.68.100112L117 Y118 M119 S123 G125 Y128L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 PolarHBondContact O-N 2.92Å; Y118-Q121 WeakPolarHBondContact O-CB 3.32Å; Y118-Q121 PolarHBondContact O-N 3.37Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 3.44Å; Q121-S123 VanDerWaalsContact C-N 3.31Å; Q121-S123 PolarHBondContact O-N 3.42Å; Q121-G125 PolarHBondContact O-N 3.3Å; Q121-Y128 HydrophobicContact CB-CD1 3.64Å; Q121-Y128 HydrophobicContact CB-CD2 4.42Å; Q121-Y128 HydrophobicContact CB-CE1 3.68Å; Q121-Y128 HydrophobicContact CB-CE2 4.5Å; Q121-Y128 HydrophobicContact CB-CG 4.01Å; Q121-Y128 HydrophobicContact CG-CD1 3.67Å; Q121-Y128 HydrophobicContact CG-CE1 3.98Å; Q121-Y128 HydrophobicContact CG-CG 4.3Å
122C98.2Very high97.7Very high64 Ų6447.8 Ų47.843%0.43228%0.28SS..Hα-helixtrans-63.2-38.5178.6-70.80000112.3I30 Y118 M119I30-C122 HydrophobicContact CG2-CB 4.29Å; Y118-C122 VanDerWaalsContact CE1-SG 3.6Å; Y118-C122 PolarHBondContact O-N 2.94Å; Y118-C122 PolarHBondContact O-SG 3.37Å; M119-C122 PolarHBondContact O-N 3.36Å
123S97.8Very high97.9Very high32 Ų3250.5 Ų50.522%0.22429%0.286CS..Hα-helixtrans-82-32.3-172-540000113.4L20 H27 M119 L120 Q121L20-S123 VanDerWaalsContact CD2-CB 3.48Å; H27-S123 VanDerWaalsContact ND1-CB 3.28Å; H27-S123 WeakPolarHBondContact ND1-CB 3.47Å; H27-S123 PolarHBondContact ND1-OG 2.97Å; M119-S123 VanDerWaalsContact O-CB 3.22Å; M119-S123 WeakPolarHBondContact O-CB 3.41Å; M119-S123 PolarHBondContact O-N 2.96Å; M119-S123 PolarHBondContact O-OG 3.23Å; L120-S123 PolarHBondContact O-N 3.36Å; Q121-S123 VanDerWaalsContact C-N 3.31Å; Q121-S123 PolarHBondContact O-N 3.42Å
124L97.8Very high98Very high22 Ų2254.3 Ų54.312%0.11530%0.303CS..Hα-helixtrans-96.3-19.1-177.4-61168.4000112.7S19 L20 L120 Q126 A127 Y128 L132S19-L124 WeakPolarHBondContact OG-CD2 3.49Å; L20-L124 HydrophobicContact CD2-CD2 3.64Å; L20-L124 HydrophobicContact CD2-CG 4.1Å; L20-L124 HydrophobicContact CG-CD2 4.37Å; L120-L124 HydrophobicContact CB-CD1 4.21Å; L120-L124 HydrophobicContact CD2-CD1 4.12Å; L120-L124 VanDerWaalsContact O-CB 3.23Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 3.3Å; L124-Q126 PolarHBondContact O-N 3.14Å; L124-A127 HydrophobicContact CB-CB 4.27Å; L124-A127 WeakPolarHBondContact O-CB 3.19Å; L124-A127 PolarHBondContact O-N 2.89Å; L124-Y128 HydrophobicContact CD1-CD2 4.22Å; L124-L132 HydrophobicContact CD1-CD2 3.61Å
125G97.5Very high98Very high43 Ų4350 Ų5044%0.44328%0.282SS..G310 helixtrans55.1-121.2-18000000111.8Q121 A127 Y128Q121-G125 PolarHBondContact O-N 3.3Å; G125-A127 PolarHBondContact O-N 3.18Å; G125-Y128 WeakPolarHBondContact O-CB 3.38Å; G125-Y128 PolarHBondContact O-N 3.04Å
126Q96.4Very high98.1Very high202 Ų20250 Ų5094%0.94428%0.283SS*.G310 helixtrans-64.4-21.3-178.5-63.8-178.111.300113.9L124 Y128L124-Q126 PolarHBondContact O-N 3.14Å; Q126-Y128 PolarHBondContact O-N 3.42Å
127A96.8Very high98Very high63 Ų6352 Ų5252%0.52129%0.293SS..G310 helixtrans-75.8-12175.700000113L124 G125 T129L124-A127 HydrophobicContact CB-CB 4.27Å; L124-A127 WeakPolarHBondContact O-CB 3.19Å; L124-A127 PolarHBondContact O-N 2.89Å; G125-A127 PolarHBondContact O-N 3.18Å; A127-T129 PolarHBondContact O-N 3.29Å; A127-T129 VanDerWaalsContact O-N 3.11Å
128Y98.2Very high97.9Very high35 Ų3554.4 Ų54.414%0.13731%0.306CS..  trans-77.195.7174.5-170.7-107.6000111.2L117 L120 Q121 L124 G125 Q126 L132 R133L117-Y128 PolarHBondContact O-OH 3.29Å; L120-Y128 HydrophobicContact CB-CD2 4.01Å; L120-Y128 HydrophobicContact CB-CE2 3.75Å; Q121-Y128 HydrophobicContact CB-CD1 3.64Å; Q121-Y128 HydrophobicContact CB-CD2 4.42Å; Q121-Y128 HydrophobicContact CB-CE1 3.68Å; Q121-Y128 HydrophobicContact CB-CE2 4.5Å; Q121-Y128 HydrophobicContact CB-CG 4.01Å; Q121-Y128 HydrophobicContact CG-CD1 3.67Å; Q121-Y128 HydrophobicContact CG-CE1 3.98Å; Q121-Y128 HydrophobicContact CG-CG 4.3Å; L124-Y128 HydrophobicContact CD1-CD2 4.22Å; G125-Y128 WeakPolarHBondContact O-CB 3.38Å; G125-Y128 PolarHBondContact O-N 3.04Å; Q126-Y128 PolarHBondContact O-N 3.42Å; Y128-L132 HydrophobicContact CD2-CD2 3.52Å; Y128-L132 HydrophobicContact CE2-CD2 3.96Å; Y128-R133 HydrophobicContact CE1-CB 4.22Å; Y128-R133 HydrophobicContact CE2-CB 4.23Å; Y128-R133 WeakPolarHBondContact OH-CB 3.34Å; Y128-R133 VanDerWaalsContact OH-CG 3.26Å; Y128-R133 WeakPolarHBondContact OH-CG 3.23Å
129T98.4Very high97.7Very high61 Ų6150.8 Ų50.837%0.37429%0.292SS..  trans-102.2161.8-177.764.40000112.2A127 L132 R133A127-T129 PolarHBondContact O-N 3.29Å; A127-T129 VanDerWaalsContact O-N 3.11Å; T129-L132 WeakPolarHBondContact O-CB 3.44Å; T129-L132 PolarHBondContact O-N 3.27Å; T129-L132 VanDerWaalsContact O-N 3.1Å; T129-L132 WeakPolarHBondContact OG1-CB 3.23Å; T129-L132 PolarHBondContact OG1-N 3.25Å; T129-R133 PolarHBondContact O-N 2.91Å
130A98.3Very high97.6Very high79 Ų7952.2 Ų52.265%0.65330%0.298SS*.Hα-helixtrans-58.2-41.8177.100000113.7L132 R133 Q134A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.66Å; A130-R133 PolarHBondContact O-N 2.98Å; A130-Q134 PolarHBondContact O-N 3.01Å
131P98.2Very high97.4Very high69 Ų6955.1 Ų55.145%0.44832%0.318SS..Hα-helixtrans-60.9-40.4172.4-25.536000112.9L12 Q134 A135L12-P131 HydrophobicContact CD1-CB 4.06Å; P131-Q134 PolarHBondContact O-N 3.02Å; P131-A135 PolarHBondContact O-N 3.11Å
132L98.3Very high97.1Very high9 Ų951.1 Ų51.15%0.04730%0.3CS..Hα-helixtrans-63-46.8177.8-169.8114.5000111.4L12 S16 L124 Y128 T129 A130 Q134 A135 W136L12-L132 HydrophobicContact CB-CD1 4.08Å; L12-L132 HydrophobicContact CD2-CD1 4.2Å; L12-L132 WeakPolarHBondContact O-CD1 3.46Å; S16-L132 VanDerWaalsContact CB-CD1 3.49Å; L124-L132 HydrophobicContact CD1-CD2 3.61Å; Y128-L132 HydrophobicContact CD2-CD2 3.52Å; Y128-L132 HydrophobicContact CE2-CD2 3.96Å; T129-L132 WeakPolarHBondContact O-CB 3.44Å; T129-L132 PolarHBondContact O-N 3.27Å; T129-L132 VanDerWaalsContact O-N 3.1Å; T129-L132 WeakPolarHBondContact OG1-CB 3.23Å; T129-L132 PolarHBondContact OG1-N 3.25Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 2.66Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; L132-Q134 PolarHBondContact O-N 3.45Å; L132-A135 PolarHBondContact O-N 3.24Å; L132-W136 VanDerWaalsContact O-CD1 3.31Å; L132-W136 PolarHBondContact O-N 3.45Å
133R98.3Very high96.9Very high90 Ų9048.9 Ų48.934%0.3428%0.284SS..Hα-helixtrans-53.7-47.2173.7175.7176.5-177.6-76.9-3.4111.2L117 Y128 T129 A130 W136 L137L117-R133 HydrophobicContact CD1-CG 4.27Å; L117-R133 HydrophobicContact CD2-CG 4.28Å; Y128-R133 HydrophobicContact CE1-CB 4.22Å; Y128-R133 HydrophobicContact CE2-CB 4.23Å; Y128-R133 WeakPolarHBondContact OH-CB 3.34Å; Y128-R133 VanDerWaalsContact OH-CG 3.26Å; Y128-R133 WeakPolarHBondContact OH-CG 3.23Å; T129-R133 PolarHBondContact O-N 2.91Å; A130-R133 PolarHBondContact O-N 2.98Å; R133-W136 PolarHBondContact O-N 3.33Å; R133-L137 WeakPolarHBondContact O-CB 3.42Å; R133-L137 PolarHBondContact O-N 3.14Å
134Q98Very high96.6Very high84 Ų8448.5 Ų48.539%0.39328%0.281SS..Hα-helixtrans-66.1-40.8-178.4-169.260.451.400112.1A130 P131 L132 L137 N138A130-Q134 PolarHBondContact O-N 3.01Å; P131-Q134 PolarHBondContact O-N 3.02Å; L132-Q134 VanDerWaalsContact C-N 3.28Å; L132-Q134 PolarHBondContact O-N 3.45Å; Q134-L137 PolarHBondContact O-N 2.96Å; Q134-N138 PolarHBondContact NE2-OD1 2.87Å; Q134-N138 PolarHBondContact O-N 3.49Å; Q134-N138 PolarHBondContact O-ND2 3.29Å; Q134-N138 PolarHBondContact O-OD1 3.07Å
135A98Very high96.4Very high0 Ų049.8 Ų49.80%029%0.294CS..Hα-helixtrans-59.1-48.417600000111.5D9 L12 I13 P131 L132 L137 N138 M139D9-A135 HydrophobicContact CB-CB 3.76Å; L12-A135 HydrophobicContact CB-CB 4.36Å; L12-A135 HydrophobicContact CD1-CB 4.44Å; I13-A135 HydrophobicContact CD1-CB 4.18Å; I13-A135 HydrophobicContact CG1-CB 3.97Å; P131-A135 PolarHBondContact O-N 3.11Å; L132-A135 PolarHBondContact O-N 3.24Å; A135-L137 PolarHBondContact O-N 3.2Å; A135-N138 PolarHBondContact O-N 2.68Å; A135-M139 PolarHBondContact O-N 3.02Å
136W98.3Very high96.1Very high1 Ų147.9 Ų47.90%0.00427%0.274CS..Hα-helixtrans-62.7-41.7176.3-84.1100.4000112.8I13 S16 W17 I75 V79 L116 L117 L120 L132 R133 N138 M139 Y140I13-W136 HydrophobicContact CG1-CD2 4.4Å; I13-W136 HydrophobicContact CG1-CG 4.4Å; I13-W136 HydrophobicContact CG2-CD2 4.34Å; I13-W136 HydrophobicContact CG2-CH2 3.97Å; I13-W136 HydrophobicContact CG2-CZ2 3.77Å; I13-W136 HydrophobicContact CG2-CZ3 4.35Å; S16-W136 PolarHBondContact OG-NE1 3.26Å; W17-W136 HydrophobicContact CB-CH2 4.19Å; W17-W136 HydrophobicContact CB-CZ2 3.99Å; W17-W136 HydrophobicContact CD2-CH2 4Å; W17-W136 AromaticContact CE3-CH2 3.46Å; W17-W136 HydrophobicContact CE3-CH2 3.46Å; W17-W136 VanDerWaalsContact CE3-CH2 3.46Å; W17-W136 AromaticContact CE3-CZ2 3.95Å; W17-W136 HydrophobicContact CE3-CZ2 3.95Å; W17-W136 HydrophobicContact CE3-CZ3 4.47Å; W17-W136 HydrophobicContact CG-CH2 4.34Å; W17-W136 HydrophobicContact CZ3-CH2 4.13Å; I75-W136 HydrophobicContact CG2-CH2 4.16Å; I75-W136 HydrophobicContact CG2-CZ3 3.89Å; V79-W136 HydrophobicContact CG2-CH2 3.75Å; V79-W136 HydrophobicContact CG2-CZ3 4.26Å; L116-W136 HydrophobicContact CD2-CE3 4.28Å; L117-W136 HydrophobicContact CD2-CB 3.86Å; L120-W136 HydrophobicContact CD1-CB 3.99Å; L120-W136 HydrophobicContact CD1-CD2 3.4Å; L120-W136 HydrophobicContact CD1-CE3 3.85Å; L120-W136 HydrophobicContact CD1-CG 3.45Å; L120-W136 VanDerWaalsContact CD1-CG 3.45Å; L120-W136 HydrophobicContact CD1-CZ2 4.4Å; L120-W136 HydrophobicContact CD1-CZ3 4.49Å; L120-W136 HydrophobicContact CD2-CD2 4.42Å; L120-W136 HydrophobicContact CD2-CH2 4.49Å; L120-W136 HydrophobicContact CD2-CZ2 3.94Å; L132-W136 VanDerWaalsContact O-CD1 3.31Å; L132-W136 PolarHBondContact O-N 3.45Å; R133-W136 PolarHBondContact O-N 3.33Å; W136-N138 VanDerWaalsContact C-N 3.33Å; W136-N138 PolarHBondContact O-N 3.2Å; W136-M139 HydrophobicContact CE3-CE 3.6Å; W136-M139 HydrophobicContact CE3-SD 4.48Å; W136-M139 HydrophobicContact CZ3-CE 3.48Å; W136-M139 VanDerWaalsContact CZ3-CE 3.48Å; W136-M139 HydrophobicContact CZ3-SD 4.35Å; W136-M139 PolarHBondContact O-N 2.91Å; W136-Y140 VanDerWaalsContact O-CB 3.27Å; W136-Y140 WeakPolarHBondContact O-CB 3.39Å; W136-Y140 PolarHBondContact O-N 3.14Å
137L96.8Very high95.9Very high46 Ų4638.8 Ų38.824%0.24123%0.232CC..Hα-helixtrans-62.1-41.1176.4179.960.3000111.9L117 R133 Q134 A135 Y140 S141L117-L137 HydrophobicContact CD1-CD1 4.43Å; R133-L137 WeakPolarHBondContact O-CB 3.42Å; R133-L137 PolarHBondContact O-N 3.14Å; Q134-L137 PolarHBondContact O-N 2.96Å; A135-L137 PolarHBondContact O-N 3.2Å; L137-Y140 PolarHBondContact O-N 3.14Å; L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.46Å; L137-S141 PolarHBondContact O-OG 3.1Å
138N95.8Very high95.7Very high57 Ų5737.7 Ų37.731%0.30522%0.22SC..Hα-helixtrans-63.3-48.1176.9-68.4-10.9000110.9L5 Q134 A135 W136 Y140 S141 I142L5-N138 HydrophobicContact CD2-CB 3.51Å; Q134-N138 PolarHBondContact NE2-OD1 2.87Å; Q134-N138 PolarHBondContact O-N 3.49Å; Q134-N138 PolarHBondContact O-ND2 3.29Å; Q134-N138 PolarHBondContact O-OD1 3.07Å; A135-N138 PolarHBondContact O-N 2.68Å; W136-N138 VanDerWaalsContact C-N 3.33Å; W136-N138 PolarHBondContact O-N 3.2Å; N138-Y140 PolarHBondContact O-N 3.43Å; N138-S141 PolarHBondContact O-N 3.39Å; N138-I142 WeakPolarHBondContact O-CG1 3.09Å; N138-I142 PolarHBondContact O-N 3.41Å; N138-I142 VanDerWaalsContact O-N 3.13Å
139M95.9Very high95.3Very high5 Ų540.8 Ų40.83%0.02523%0.231CC..Hα-helixtrans-60-47.4177.3-173.6-158.676.200111.2L5 I13 V79 L82 A135 W136 S141 I142 V143L5-M139 HydrophobicContact CD1-CB 3.88Å; L5-M139 HydrophobicContact CD1-CG 4.05Å; L5-M139 HydrophobicContact CD2-CB 4.45Å; I13-M139 HydrophobicContact CD1-CB 3.85Å; I13-M139 HydrophobicContact CD1-CG 4.37Å; I13-M139 HydrophobicContact CD1-SD 4.29Å; I13-M139 HydrophobicContact CG2-SD 3.9Å; V79-M139 HydrophobicContact CG2-SD 4.28Å; L82-M139 HydrophobicContact CD2-CG 3.84Å; L82-M139 HydrophobicContact CD2-SD 3.78Å; A135-M139 PolarHBondContact O-N 3.02Å; W136-M139 HydrophobicContact CE3-CE 3.6Å; W136-M139 HydrophobicContact CE3-SD 4.48Å; W136-M139 HydrophobicContact CZ3-CE 3.48Å; W136-M139 VanDerWaalsContact CZ3-CE 3.48Å; W136-M139 HydrophobicContact CZ3-SD 4.35Å; W136-M139 PolarHBondContact O-N 2.91Å; M139-S141 VanDerWaalsContact C-N 3.31Å; M139-S141 PolarHBondContact O-N 3.27Å; M139-I142 WeakPolarHBondContact O-CB 3.43Å; M139-I142 PolarHBondContact O-N 3Å; M139-V143 PolarHBondContact O-N 3.23Å; M139-V143 VanDerWaalsContact O-N 3.1Å
140Y95.8Very high94.8Very high30 Ų3038 Ų3812%0.11822%0.215CC..Hα-helixtrans-59.3-42.4178.1-179.2-105.8000112F109 V112 G113 L116 W136 L137 N138 I142 V143 V144F109-Y140 WeakPolarHBondContact O-CE1 3.37Å; F109-Y140 PolarHBondContact O-OH 3.14Å; V112-Y140 WeakPolarHBondContact CB-OH 3.28Å; V112-Y140 HydrophobicContact CG1-CE2 4.1Å; V112-Y140 WeakPolarHBondContact CG1-OH 3.42Å; G113-Y140 VanDerWaalsContact CA-CZ 3.42Å; G113-Y140 PolarHBondContact N-OH 3.3Å; L116-Y140 HydrophobicContact CD2-CD2 3.89Å; L116-Y140 HydrophobicContact CD2-CG 4.39Å; W136-Y140 VanDerWaalsContact O-CB 3.27Å; W136-Y140 WeakPolarHBondContact O-CB 3.39Å; W136-Y140 PolarHBondContact O-N 3.14Å; L137-Y140 PolarHBondContact O-N 3.14Å; N138-Y140 PolarHBondContact O-N 3.43Å; Y140-I142 VanDerWaalsContact C-N 3.3Å; Y140-I142 PolarHBondContact O-N 2.82Å; Y140-V143 PolarHBondContact O-N 2.91Å; Y140-V144 HydrophobicContact CD1-CG2 4.02Å; Y140-V144 HydrophobicContact CD2-CG2 4.26Å; Y140-V144 HydrophobicContact CE1-CG2 3.45Å; Y140-V144 VanDerWaalsContact CE1-CG2 3.45Å; Y140-V144 HydrophobicContact CE2-CG2 3.71Å; Y140-V144 HydrophobicContact CG-CG2 4.39Å; Y140-V144 WeakPolarHBondContact O-CG2 3.41Å; Y140-V144 PolarHBondContact O-N 3.45Å; Y140-V144 WeakPolarHBondContact OH-CG2 3.31Å
141S93.6Very high94.1Very high62 Ų6236.1 Ų36.143%0.43419%0.191SC..Hα-helixtrans-62.1-37.4178.1-600000112.2L137 N138 M139 A145L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.46Å; L137-S141 PolarHBondContact O-OG 3.1Å; N138-S141 PolarHBondContact O-N 3.39Å; M139-S141 VanDerWaalsContact C-N 3.31Å; M139-S141 PolarHBondContact O-N 3.27Å; S141-A145 VanDerWaalsContact O-CB 3.24Å; S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 3.28Å
142I93.4Very high92.5Very high20 Ų2036.9 Ų36.910%0.10320%0.203CC..Hα-helixtrans-63.6-48.6174.3-64161.2000110.1M2 G3 L5 L85 N138 M139 Y140 V144 A145 V146M2-I142 HydrophobicContact CB-CG2 4.46Å; M2-I142 HydrophobicContact CG-CG2 4.3Å; M2-I142 HydrophobicContact SD-CG2 4.01Å; G3-I142 WeakPolarHBondContact O-CD1 3.39Å; L5-I142 HydrophobicContact CD1-CD1 4.3Å; L5-I142 HydrophobicContact CD2-CD1 4.25Å; L5-I142 HydrophobicContact CG-CD1 3.9Å; L85-I142 HydrophobicContact CD1-CD1 4.19Å; L85-I142 HydrophobicContact CD1-CG2 4.1Å; N138-I142 WeakPolarHBondContact O-CG1 3.09Å; N138-I142 PolarHBondContact O-N 3.41Å; N138-I142 VanDerWaalsContact O-N 3.13Å; M139-I142 WeakPolarHBondContact O-CB 3.43Å; M139-I142 PolarHBondContact O-N 3Å; Y140-I142 VanDerWaalsContact C-N 3.3Å; Y140-I142 PolarHBondContact O-N 2.82Å; I142-V144 PolarHBondContact O-N 3.24Å; I142-A145 PolarHBondContact O-N 3.08Å; I142-V146 VanDerWaalsContact O-CG2 3.29Å; I142-V146 WeakPolarHBondContact O-CG2 3.35Å; I142-V146 PolarHBondContact O-N 3.19Å
143V93.4Very high90.3Very high17 Ų1744 Ų4410%0.10323%0.234CC..Hα-helixtrans-59.2-48.9178.81730000111.1A78 L92 M139 Y140 A145 V146 M147A78-V143 HydrophobicContact CB-CG2 4.3Å; L92-V143 HydrophobicContact CD1-CG1 4.24Å; L92-V143 HydrophobicContact CD1-CG2 4.37Å; L92-V143 HydrophobicContact CD2-CG1 3.93Å; M139-V143 PolarHBondContact O-N 3.23Å; M139-V143 VanDerWaalsContact O-N 3.1Å; Y140-V143 PolarHBondContact O-N 2.91Å; V143-A145 PolarHBondContact O-N 3.21Å; V143-V146 PolarHBondContact O-N 2.87Å; V143-M147 HydrophobicContact CG1-CG 4.37Å; V143-M147 HydrophobicContact CG1-SD 3.99Å; V143-M147 WeakPolarHBondContact O-CG 3.27Å; V143-M147 PolarHBondContact O-N 3.35Å
144V92.3Very high87.7Confident24 Ų2446.4 Ų46.415%0.14525%0.253CS..Hα-helixtrans-64-39.4178.8171.40000111.6F109 Y140 I142 V146 M147 S148F109-V144 HydrophobicContact CB-CG1 3.8Å; F109-V144 HydrophobicContact CB-CG2 4Å; F109-V144 HydrophobicContact CD1-CG2 4.24Å; F109-V144 HydrophobicContact CD2-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG1 3.93Å; F109-V144 HydrophobicContact CG-CG2 4.13Å; Y140-V144 HydrophobicContact CD1-CG2 4.02Å; Y140-V144 HydrophobicContact CD2-CG2 4.26Å; Y140-V144 HydrophobicContact CE1-CG2 3.45Å; Y140-V144 VanDerWaalsContact CE1-CG2 3.45Å; Y140-V144 HydrophobicContact CE2-CG2 3.71Å; Y140-V144 HydrophobicContact CG-CG2 4.39Å; Y140-V144 WeakPolarHBondContact O-CG2 3.41Å; Y140-V144 PolarHBondContact O-N 3.45Å; Y140-V144 WeakPolarHBondContact OH-CG2 3.31Å; I142-V144 PolarHBondContact O-N 3.24Å; V144-V146 VanDerWaalsContact C-N 3.28Å; V144-V146 PolarHBondContact O-N 3.22Å; V144-M147 PolarHBondContact O-N 3.04Å; V144-S148 WeakPolarHBondContact O-CB 3.25Å; V144-S148 PolarHBondContact O-N 2.95Å; V144-S148 PolarHBondContact O-OG 3.12Å
145A91.9Very high85.1Confident48 Ų4845.3 Ų45.340%0.39727%0.265SS..Hα-helixtrans-60.4-39.5175.900000111.5S141 I142 V143 R149S141-A145 VanDerWaalsContact O-CB 3.24Å; S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 3.28Å; I142-A145 PolarHBondContact O-N 3.08Å; V143-A145 PolarHBondContact O-N 3.21Å; A145-R149 WeakPolarHBondContact O-CG 2.85Å; A145-R149 PolarHBondContact O-N 3.43Å; A145-R149 PolarHBondContact O-NE 3.31Å
146V92.4Very high82.4Confident4 Ų454.4 Ų54.42%0.02431%0.307CS..Hα-helixtrans-68.1-51.4174.5-176.60000110.9M2 E89 L92 L93 I142 V143 V144 S148 R149M2-V146 HydrophobicContact SD-CG2 3.55Å; M2-V146 VanDerWaalsContact SD-CG2 3.55Å; E89-V146 HydrophobicContact CG-CG1 4.08Å; L92-V146 HydrophobicContact CB-CB 4.02Å; L92-V146 HydrophobicContact CB-CG1 3.48Å; L92-V146 VanDerWaalsContact CB-CG1 3.48Å; L92-V146 HydrophobicContact CD1-CB 4.12Å; L92-V146 HydrophobicContact CD1-CG1 4.21Å; L92-V146 HydrophobicContact CD1-CG2 4.35Å; L92-V146 HydrophobicContact CG-CG1 4.5Å; L93-V146 HydrophobicContact CD2-CG1 4.38Å; L93-V146 WeakPolarHBondContact CD2-O 3.39Å; L93-V146 HydrophobicContact CG-CG1 4.07Å; I142-V146 VanDerWaalsContact O-CG2 3.29Å; I142-V146 WeakPolarHBondContact O-CG2 3.35Å; I142-V146 PolarHBondContact O-N 3.19Å; V143-V146 PolarHBondContact O-N 2.87Å; V144-V146 VanDerWaalsContact C-N 3.28Å; V144-V146 PolarHBondContact O-N 3.22Å; V146-S148 VanDerWaalsContact C-N 3.29Å; V146-S148 PolarHBondContact O-N 3.04Å; V146-R149 VanDerWaalsContact CG2-NH2 3.26Å; V146-R149 WeakPolarHBondContact O-CB 3.09Å; V146-R149 PolarHBondContact O-N 3.47Å; V146-R149 VanDerWaalsContact O-N 3.13Å
147M92.6Very high79.7Confident11 Ų1162.4 Ų62.45%0.05435%0.35CS..Hα-helixtrans-57.5-44-179.7-70.9-175.56700111.4L92 L95 F109 V143 V144 R149 G150 W151L92-M147 HydrophobicContact CB-CG 4.17Å; L92-M147 HydrophobicContact CD2-CG 4.28Å; L92-M147 WeakPolarHBondContact O-CG 3.35Å; L95-M147 HydrophobicContact CB-CE 4.17Å; L95-M147 HydrophobicContact CD2-CE 3.83Å; L95-M147 HydrophobicContact CD2-SD 4.1Å; L95-M147 HydrophobicContact CG-CE 3.68Å; F109-M147 HydrophobicContact CE1-CE 3.92Å; F109-M147 HydrophobicContact CE1-SD 4.36Å; F109-M147 HydrophobicContact CZ-CB 4.21Å; F109-M147 HydrophobicContact CZ-CE 3.83Å; F109-M147 HydrophobicContact CZ-SD 4.46Å; V143-M147 HydrophobicContact CG1-CG 4.37Å; V143-M147 HydrophobicContact CG1-SD 3.99Å; V143-M147 WeakPolarHBondContact O-CG 3.27Å; V143-M147 PolarHBondContact O-N 3.35Å; V144-M147 PolarHBondContact O-N 3.04Å; M147-R149 VanDerWaalsContact C-N 3.28Å; M147-R149 PolarHBondContact O-N 2.89Å; M147-G150 WeakPolarHBondContact O-CA 3.35Å; M147-G150 PolarHBondContact O-N 3.42Å; M147-W151 HydrophobicContact CB-CZ3 4.37Å; M147-W151 VanDerWaalsContact O-CZ3 3.26Å; M147-W151 WeakPolarHBondContact O-CZ3 3.39Å
148S91.3Very high77Confident39 Ų3970 Ų7027%0.27338%0.381SS..Hα-helixtrans-61.8-32.1179.7-59.30000112.8V144 V146 G150 W151V144-S148 WeakPolarHBondContact O-CB 3.25Å; V144-S148 PolarHBondContact O-N 2.95Å; V144-S148 PolarHBondContact O-OG 3.12Å; V146-S148 VanDerWaalsContact C-N 3.29Å; V146-S148 PolarHBondContact O-N 3.04Å; S148-G150 PolarHBondContact O-N 3.24Å; S148-W151 WeakPolarHBondContact O-CB 3.39Å; S148-W151 PolarHBondContact O-N 3.18Å; S148-W151 VanDerWaalsContact O-N 3.1Å
149R90.6Very high74.2Confident101 Ų10172.2 Ų72.238%0.38141%0.407SS..Hα-helixtrans-64.1-25.3171.7-71.9178.8-65.6153.83.3112.3E89 L93 A145 V146 M147 W151 A152E89-R149 IonicContact OE1-CZ 2.7Å; E89-R149 IonicContact OE1-NH1 3.86Å; E89-R149 PolarHBondContact OE1-NH1 3.11Å; E89-R149 IonicContact OE1-NH2 2.61Å; E89-R149 PolarHBondContact OE1-NH2 2.74Å; E89-R149 IonicContact OE2-NH2 2.97Å; L93-R149 HydrophobicContact CD2-CB 3.65Å; A145-R149 WeakPolarHBondContact O-CG 2.85Å; A145-R149 PolarHBondContact O-N 3.43Å; A145-R149 PolarHBondContact O-NE 3.31Å; V146-R149 VanDerWaalsContact CG2-NH2 3.26Å; V146-R149 WeakPolarHBondContact O-CB 3.09Å; V146-R149 PolarHBondContact O-N 3.47Å; V146-R149 VanDerWaalsContact O-N 3.13Å; M147-R149 VanDerWaalsContact C-N 3.28Å; M147-R149 PolarHBondContact O-N 2.89Å; R149-W151 PolarHBondContact O-N 2.04Å; R149-A152 PolarHBondContact O-N 2.63Å
150G86.7Confident71.5Confident3 Ų383.2 Ų83.23%0.03147%0.466CS..G310 helixtrans-62.2-27.3172.600000113.6R97 M147 S148 A152R97-G150 WeakPolarHBondContact CG-O 3.46Å; M147-G150 WeakPolarHBondContact O-CA 3.35Å; M147-G150 PolarHBondContact O-N 3.42Å; S148-G150 PolarHBondContact O-N 3.24Å; G150-A152 VanDerWaalsContact C-N 3.29Å; G150-A152 PolarHBondContact O-N 3.29Å
151W84.7Confident70.3Confident38 Ų3885.9 Ų85.914%0.14448%0.484CS..G310 helixtrans-67.2-30.8177.1-88.8-119.3000112.5G96 H99 Q100 T106 F109 M147 S148 R149 K153G96-W151 WeakPolarHBondContact O-CH2 3.33Å; G96-W151 WeakPolarHBondContact O-CZ3 3.45Å; H99-W151 HydrophobicContact CB-CH2 3.46Å; H99-W151 VanDerWaalsContact CB-CH2 3.46Å; H99-W151 HydrophobicContact CB-CZ2 3.94Å; H99-W151 HydrophobicContact CB-CZ3 4.47Å; Q100-W151 HydrophobicContact CB-CD2 3.86Å; Q100-W151 HydrophobicContact CB-CG 4.07Å; Q100-W151 HydrophobicContact CB-CZ2 3.9Å; Q100-W151 HydrophobicContact CG-CD2 4.34Å; Q100-W151 HydrophobicContact CG-CG 4.03Å; Q100-W151 PolarHBondContact NE2-O 3.26Å; Q100-W151 PolarHBondContact OE1-O 3.36Å; T106-W151 HydrophobicContact CG2-CD2 4.08Å; T106-W151 HydrophobicContact CG2-CG 4.08Å; F109-W151 AromaticContact CE2-CH2 3.42Å; F109-W151 HydrophobicContact CE2-CH2 3.42Å; F109-W151 VanDerWaalsContact CE2-CH2 3.42Å; F109-W151 HydrophobicContact CE2-CZ2 4.04Å; F109-W151 AromaticContact CE2-CZ3 3.68Å; F109-W151 HydrophobicContact CE2-CZ3 3.68Å; F109-W151 AromaticContact CZ-CH2 3.35Å; F109-W151 HydrophobicContact CZ-CH2 3.35Å; F109-W151 HydrophobicContact CZ-CZ2 4.24Å; F109-W151 AromaticContact CZ-CZ3 3.76Å; F109-W151 HydrophobicContact CZ-CZ3 3.76Å; M147-W151 HydrophobicContact CB-CZ3 4.37Å; M147-W151 VanDerWaalsContact O-CZ3 3.26Å; M147-W151 WeakPolarHBondContact O-CZ3 3.39Å; S148-W151 WeakPolarHBondContact O-CB 3.39Å; S148-W151 PolarHBondContact O-N 3.18Å; S148-W151 VanDerWaalsContact O-N 3.1Å; R149-W151 PolarHBondContact O-N 2.04Å; W151-K153 VanDerWaalsContact C-N 3.3Å; W151-K153 PolarHBondContact O-N 3.01Å
152A64.4Low69Low85 Ų8587.2 Ų87.270%0.70249%0.486SS*.G310 helixtrans-87.417.3-16800000114.5R149 G150R149-A152 PolarHBondContact O-N 2.63Å; G150-A152 VanDerWaalsContact C-N 3.29Å; G150-A152 PolarHBondContact O-N 3.29Å
153K51.7Low67.7Low160 Ų16090.9 Ų90.970%0.69651%0.508SS*.  trans-117.135.7-178.7-88.2-164.9173.7-172.90115W151W151-K153 VanDerWaalsContact C-N 3.3Å; W151-K153 PolarHBondContact O-N 3.01Å
154N45.3Very low66.2Low139 Ų13995.2 Ų95.274%0.74353%0.531SS*.SBendtrans-124.134.9169.4-77.9-17.9000113.1
155G41.8Very low64.5Low62 Ų6299.7 Ų99.764%0.63956%0.556SS**SBendtrans-173.466.5176.800000113.7
156E42.2Very low62.7Low191 Ų191103.1 Ų103.189%0.89357%0.566SS**  trans17588.8151.5-99.9166.3-161.300107.9
157D41.6Very low60.6Low168 Ų168110.2 Ų110.290%0.89861%0.605SS**  trans-172.869.3150.7-100.2-13.9000108.3
158K39.3Very low58.1Low207 Ų207117.8 Ų117.890%0.965%0.647SS**  trans-154.784.7147.6-76.1-150179.9-173.90108.1
159A37.3Very low55.4Low103 Ų103124.4 Ų124.485%0.85168%0.678SS**  trans-107.6103.514900000105.7
160D38.9Very low52.2Low236 Ų236126.5 Ų126.5100%1.26271%0.705SS**  trans-68.70152-84.8-26.9000108.9

Retrieved 160 of 160 residues in 181.7 ms (Link to these results)

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