A0A087Y382_POEFO Loading...

Alkylglycerol monooxygenase

Glyceryl-ether monooxygenase that cleaves the O-alkyl bond of ether lipids. Ether lipids are essential components of brain membranes.

AlphaFold DB , UniProt , Accession A0A087Y382, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M32Very low45.7Very low244 Ų24491.4 Ų91.4100%1.20266%0.657SS**  0100.10-81.4177.7130.400108.1A3M1-A3 PolarHBondContact O-N 3.47Å; M1-A3 VanDerWaalsContact O-N 3.15Å
2A34.8Very low49Very low112 Ų11290.8 Ų90.893%0.92663%0.629SS**  trans-80.287.7172.400000108.1
3A32.7Very low51.6Low92 Ų9283.8 Ų83.876%0.7658%0.581SS**  trans-77131.6168.700000108.4M1 A5M1-A3 PolarHBondContact O-N 3.47Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-A5 PolarHBondContact O-N 3.42Å; A3-A5 VanDerWaalsContact O-N 3.13Å
4A34.2Very low54.2Low100 Ų10082.6 Ų82.683%0.82656%0.564SS**  trans-43115.5-179.700000112.2G6A4-G6 PolarHBondContact O-N 2.94Å
5A37.2Very low56.8Low77 Ų7782.1 Ų82.164%0.63655%0.546SS*.  trans-66.687.116300000107.6A3A3-A5 PolarHBondContact O-N 3.42Å; A3-A5 VanDerWaalsContact O-N 3.13Å
6G36.2Very low59Low41 Ų4177 Ų7742%0.42351%0.511SS..  trans-54.4148.8171.300000109.9A4 G8 S9A4-G6 PolarHBondContact O-N 2.94Å; G6-G8 PolarHBondContact O-N 3.22Å; G6-S9 WeakPolarHBondContact O-CB 3.37Å; G6-S9 PolarHBondContact O-N 3.42Å
7S42.6Very low60.8Low109 Ų10972.5 Ų72.576%0.76248%0.481SS*.Hα-helixtrans-48.5-24.8178.153.10000114.2S11S7-S11 PolarHBondContact O-N 3.06Å
8G52.8Low62.5Low47 Ų4772.4 Ų72.449%0.48547%0.472SS..Hα-helixtrans-67.2-31172.400000115.4G6 R12G6-G8 PolarHBondContact O-N 3.22Å; G8-R12 VanDerWaalsContact O-CB 3.27Å; G8-R12 WeakPolarHBondContact O-CB 3.32Å; G8-R12 PolarHBondContact O-N 3.27Å
9S60Low64Low44 Ų4470.1 Ų70.131%0.30845%0.454SS..Hα-helixtrans-70.3-39.2175.5-1780000111.3G6 R12 G13G6-S9 WeakPolarHBondContact O-CB 3.37Å; G6-S9 PolarHBondContact O-N 3.42Å; S9-R12 PolarHBondContact O-N 3.42Å; S9-G13 PolarHBondContact O-N 3.44Å; S9-G13 VanDerWaalsContact O-N 3.13Å
10V60.9Low65.4Low77 Ų7771.5 Ų71.547%0.46746%0.455SS..Hα-helixtrans-62.3-57177.9177.40000109.5R12 G13 L14 Y44V10-R12 VanDerWaalsContact C-N 3.27Å; V10-R12 PolarHBondContact O-N 3.3Å; V10-G13 PolarHBondContact O-N 3.18Å; V10-L14 PolarHBondContact O-N 3.37Å; V10-Y44 WeakPolarHBondContact CG1-OH 3.43Å; V10-Y44 PolarHBondContact O-OH 3.47Å
11S79.8Confident66.8Low62 Ų6268.4 Ų68.443%0.43444%0.435SS..Hα-helixtrans-57.3-37.6178178.50000113.3S7 L14 R15S7-S11 PolarHBondContact O-N 3.06Å; S11-L14 PolarHBondContact O-N 3.42Å; S11-R15 WeakPolarHBondContact O-CG 3.24Å; S11-R15 PolarHBondContact O-N 2.99Å
12R84.4Confident69.8Low85 Ų8559.9 Ų59.932%0.32140%0.397SS..Hα-helixtrans-64.8-44.3-179.6-172.4-178.5-66.3-177.9-2.3112.8G8 S9 V10 L14 R15 A16 L21 Y37G8-R12 VanDerWaalsContact O-CB 3.27Å; G8-R12 WeakPolarHBondContact O-CB 3.32Å; G8-R12 PolarHBondContact O-N 3.27Å; S9-R12 PolarHBondContact O-N 3.42Å; V10-R12 VanDerWaalsContact C-N 3.27Å; V10-R12 PolarHBondContact O-N 3.3Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.48Å; R12-R15 PolarHBondContact O-N 2.96Å; R12-A16 WeakPolarHBondContact O-CB 3.22Å; R12-A16 PolarHBondContact O-N 2.82Å; R12-L21 HydrophobicContact CG-CD2 4.01Å; R12-Y37 HydrophobicContact CG-CE1 4.05Å
13G83.7Confident72.6Confident0 Ų055.5 Ų55.50%036%0.359CS..Hα-helixtrans-59.4-43.717800000112.5S9 V10 A16 M17S9-G13 PolarHBondContact O-N 3.44Å; S9-G13 VanDerWaalsContact O-N 3.13Å; V10-G13 PolarHBondContact O-N 3.18Å; G13-A16 PolarHBondContact O-N 3.38Å; G13-M17 PolarHBondContact O-N 2.7Å
14L87.6Confident75.5Confident67 Ų6758.6 Ų58.635%0.35136%0.363SS..Hα-helixtrans-65.7-45.8176.7-177.863000111.8V10 S11 R12 A16 M17 F18 Y44V10-L14 PolarHBondContact O-N 3.37Å; S11-L14 PolarHBondContact O-N 3.42Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.48Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.45Å; L14-M17 WeakPolarHBondContact O-CB 3.28Å; L14-M17 PolarHBondContact O-N 2.96Å; L14-F18 HydrophobicContact CD1-CD2 4.5Å; L14-F18 HydrophobicContact CD1-CE2 3.9Å; L14-F18 WeakPolarHBondContact O-CD2 3.41Å; L14-Y44 HydrophobicContact CB-CD1 4.32Å; L14-Y44 HydrophobicContact CB-CD2 4.5Å; L14-Y44 HydrophobicContact CB-CE1 3.93Å; L14-Y44 HydrophobicContact CB-CE2 4.1Å; L14-Y44 HydrophobicContact CD1-CD1 3.92Å; L14-Y44 HydrophobicContact CD1-CE1 4.22Å; L14-Y44 HydrophobicContact CD1-CG 4.32Å; L14-Y44 HydrophobicContact CD2-CE1 4.46Å; L14-Y44 HydrophobicContact CG-CE1 4.43Å
15R92.9Very high78.2Confident75 Ų7555.8 Ų55.828%0.28333%0.332SS..Hα-helixtrans-63.1-36.3178.5-75175.361.6-147.8-2.5112.5S11 R12 M17 F18 F19 M20 L21 E25S11-R15 WeakPolarHBondContact O-CG 3.24Å; S11-R15 PolarHBondContact O-N 2.99Å; R12-R15 PolarHBondContact O-N 2.96Å; R15-M17 VanDerWaalsContact C-N 3.26Å; R15-M17 PolarHBondContact O-N 3.41Å; R15-F18 PolarHBondContact O-N 3.32Å; R15-F18 VanDerWaalsContact O-N 3.16Å; R15-F19 PolarHBondContact O-N 3.12Å; R15-M20 HydrophobicContact CB-CB 3.94Å; R15-M20 HydrophobicContact CG-CB 4.17Å; R15-M20 VanDerWaalsContact CZ-O 3.26Å; R15-M20 PolarHBondContact NE-O 3.19Å; R15-M20 VanDerWaalsContact NE-O 3.11Å; R15-M20 PolarHBondContact NH2-O 2.89Å; R15-M20 WeakPolarHBondContact O-CB 3.48Å; R15-M20 PolarHBondContact O-N 2.59Å; R15-L21 HydrophobicContact CB-CD2 3.85Å; R15-E25 IonicContact CZ-OE1 3.56Å; R15-E25 IonicContact CZ-OE2 2.86Å; R15-E25 IonicContact NH1-OE1 3.37Å; R15-E25 IonicContact NH1-OE2 2.74Å; R15-E25 PolarHBondContact NH1-OE2 3.21Å; R15-E25 IonicContact NH2-OE1 3.38Å; R15-E25 PolarHBondContact NH2-OE1 3.44Å; R15-E25 IonicContact NH2-OE2 3.79Å; R15-E25 PolarHBondContact NH2-OE2 2.75Å
16A92.3Very high81Confident0 Ų052.1 Ų52.10%030%0.302CS..Hα-helixtrans-59.4-36.2175.700000112.4R12 G13 L14 F18 F19 L21 Y37 L190 L193R12-A16 WeakPolarHBondContact O-CB 3.22Å; R12-A16 PolarHBondContact O-N 2.82Å; G13-A16 PolarHBondContact O-N 3.38Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.45Å; A16-F18 PolarHBondContact O-N 3.12Å; A16-F19 PolarHBondContact O-N 2.8Å; A16-L21 HydrophobicContact CB-CD1 4.05Å; A16-L21 HydrophobicContact CB-CG 4.38Å; A16-Y37 HydrophobicContact CB-CD1 4.06Å; A16-Y37 HydrophobicContact CB-CG 4.48Å; A16-L190 HydrophobicContact CB-CD2 3.73Å; A16-L193 HydrophobicContact CB-CD1 3.72Å
17M90.1Very high83.8Confident0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-62-23.6177.1-67.4-174.958.600114.7G13 L14 R15 A41 Y44 F45 L48 L193 Y194 F196G13-M17 PolarHBondContact O-N 2.7Å; L14-M17 WeakPolarHBondContact O-CB 3.28Å; L14-M17 PolarHBondContact O-N 2.96Å; R15-M17 VanDerWaalsContact C-N 3.26Å; R15-M17 PolarHBondContact O-N 3.41Å; M17-A41 HydrophobicContact CG-CB 4.02Å; M17-A41 HydrophobicContact SD-CB 4.24Å; M17-Y44 VanDerWaalsContact SD-CB 3.51Å; M17-Y44 HydrophobicContact SD-CG 4.29Å; M17-F45 HydrophobicContact CE-CD1 3.59Å; M17-F45 HydrophobicContact CE-CE1 3.52Å; M17-F45 HydrophobicContact CG-CE1 4.14Å; M17-F45 HydrophobicContact SD-CD1 3.83Å; M17-F45 HydrophobicContact SD-CE1 3.76Å; M17-L48 HydrophobicContact CE-CD1 3.53Å; M17-L48 HydrophobicContact SD-CD1 4.39Å; M17-L193 HydrophobicContact CG-CD2 4.48Å; M17-Y194 VanDerWaalsContact O-CA 3.32Å; M17-Y194 WeakPolarHBondContact O-CA 3.39Å; M17-F196 HydrophobicContact CE-CD1 3.41Å; M17-F196 VanDerWaalsContact CE-CD1 3.41Å; M17-F196 HydrophobicContact CE-CE1 3.88Å; M17-F196 HydrophobicContact CE-CG 4.33Å
18F91.4Very high86.4Confident72 Ų7247.5 Ų47.532%0.31626%0.259SS..THydrogen-bonded Turntrans-116.319.5-177.4-62.3-78.6000112L14 R15 A16 M20 W197L14-F18 HydrophobicContact CD1-CD2 4.5Å; L14-F18 HydrophobicContact CD1-CE2 3.9Å; L14-F18 WeakPolarHBondContact O-CD2 3.41Å; R15-F18 PolarHBondContact O-N 3.32Å; R15-F18 VanDerWaalsContact O-N 3.16Å; A16-F18 PolarHBondContact O-N 3.12Å; F18-M20 HydrophobicContact CB-CE 3.51Å; F18-M20 HydrophobicContact CB-CG 3.91Å; F18-M20 HydrophobicContact CB-SD 4.36Å; F18-M20 HydrophobicContact CD2-CE 3.79Å; F18-M20 HydrophobicContact CG-CE 3.92Å; F18-M20 PolarHBondContact O-N 2.85Å; F18-M20 VanDerWaalsContact O-N 3.13Å; F18-W197 AromaticContact CD1-CD1 3.93Å; F18-W197 HydrophobicContact CD1-CD2 4.4Å; F18-W197 HydrophobicContact CD1-CG 4.27Å; F18-W197 AromaticContact CD1-NE1 3.91Å; F18-W197 HydrophobicContact CE1-CB 4.24Å; F18-W197 AromaticContact CE1-CD1 3.84Å; F18-W197 AromaticContact CE1-CD2 3.96Å; F18-W197 HydrophobicContact CE1-CD2 3.96Å; F18-W197 AromaticContact CE1-CG 3.75Å; F18-W197 HydrophobicContact CE1-CG 3.75Å
19F90.1Very high88.5Confident27 Ų2750.5 Ų50.512%0.11826%0.261CS..THydrogen-bonded Turntrans53.632.4-176.7-151.9-90.6000112.8R15 A16 L21 W115 W116 F119 H187 L190 I237R15-F19 PolarHBondContact O-N 3.12Å; A16-F19 PolarHBondContact O-N 2.8Å; F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 3.33Å; F19-W115 HydrophobicContact CD1-CH2 4.13Å; F19-W115 AromaticContact CE1-CH2 3.21Å; F19-W115 HydrophobicContact CE1-CH2 3.21Å; F19-W115 HydrophobicContact CE1-CZ2 4.22Å; F19-W115 AromaticContact CE1-CZ3 3.56Å; F19-W115 HydrophobicContact CE1-CZ3 3.56Å; F19-W115 AromaticContact CZ-CH2 3.45Å; F19-W115 HydrophobicContact CZ-CH2 3.45Å; F19-W115 VanDerWaalsContact CZ-CH2 3.45Å; F19-W115 HydrophobicContact CZ-CZ2 4.09Å; F19-W115 AromaticContact CZ-CZ3 3.89Å; F19-W115 HydrophobicContact CZ-CZ3 3.89Å; F19-W116 HydrophobicContact CE1-CZ3 4.03Å; F19-F119 HydrophobicContact CD1-CD2 4.29Å; F19-F119 HydrophobicContact CD1-CE2 4.19Å; F19-F119 HydrophobicContact CD2-CD2 4.23Å; F19-F119 HydrophobicContact CD2-CE2 4.25Å; F19-F119 HydrophobicContact CE1-CB 4.39Å; F19-F119 AromaticContact CE1-CD2 3.52Å; F19-F119 HydrophobicContact CE1-CD2 3.52Å; F19-F119 AromaticContact CE1-CE2 3.85Å; F19-F119 HydrophobicContact CE1-CE2 3.85Å; F19-F119 AromaticContact CE1-CG 3.91Å; F19-F119 HydrophobicContact CE1-CG 3.91Å; F19-F119 AromaticContact CE2-CD2 3.48Å; F19-F119 HydrophobicContact CE2-CD2 3.48Å; F19-F119 VanDerWaalsContact CE2-CD2 3.48Å; F19-F119 AromaticContact CE2-CE2 3.95Å; F19-F119 HydrophobicContact CE2-CE2 3.95Å; F19-F119 HydrophobicContact CE2-CG 4.41Å; F19-F119 HydrophobicContact CG-CE2 4.42Å; F19-F119 HydrophobicContact CZ-CB 3.85Å; F19-F119 AromaticContact CZ-CD2 3.1Å; F19-F119 HydrophobicContact CZ-CD2 3.1Å; F19-F119 AromaticContact CZ-CE2 3.79Å; F19-F119 HydrophobicContact CZ-CE2 3.79Å; F19-F119 AromaticContact CZ-CG 3.64Å; F19-F119 HydrophobicContact CZ-CG 3.64Å; F19-H187 AromaticContact CZ-CD2 3.69Å; F19-H187 AromaticContact CZ-NE2 3.91Å; F19-L190 HydrophobicContact CD2-CB 3.6Å; F19-L190 HydrophobicContact CD2-CD1 4.02Å; F19-L190 HydrophobicContact CD2-CG 4.41Å; F19-L190 HydrophobicContact CE2-CB 3.55Å; F19-L190 HydrophobicContact CE2-CD1 3.63Å; F19-L190 HydrophobicContact CE2-CG 4.25Å; F19-L190 HydrophobicContact CZ-CD1 4.13Å; F19-I237 HydrophobicContact CD2-CD1 3.6Å; F19-I237 HydrophobicContact CE2-CD1 4.07Å; F19-I237 HydrophobicContact CG-CD1 4.3Å
20M93.4Very high90.2Very high99 Ų9953.8 Ų53.849%0.48827%0.269SS..  trans-92.116.9-177.1-68.3-167.8-83.300112.9R15 F18R15-M20 HydrophobicContact CB-CB 3.94Å; R15-M20 HydrophobicContact CG-CB 4.17Å; R15-M20 VanDerWaalsContact CZ-O 3.26Å; R15-M20 PolarHBondContact NE-O 3.19Å; R15-M20 VanDerWaalsContact NE-O 3.11Å; R15-M20 PolarHBondContact NH2-O 2.89Å; R15-M20 WeakPolarHBondContact O-CB 3.48Å; R15-M20 PolarHBondContact O-N 2.59Å; F18-M20 HydrophobicContact CB-CE 3.51Å; F18-M20 HydrophobicContact CB-CG 3.91Å; F18-M20 HydrophobicContact CB-SD 4.36Å; F18-M20 HydrophobicContact CD2-CE 3.79Å; F18-M20 HydrophobicContact CG-CE 3.92Å; F18-M20 PolarHBondContact O-N 2.85Å; F18-M20 VanDerWaalsContact O-N 3.13Å
21L94Very high91.9Very high7 Ų751.4 Ų51.44%0.03726%0.255CS..  trans-87150.1172.8-58.1-175000110.7R12 R15 A16 F19 E25 Y37 W115 L190R12-L21 HydrophobicContact CG-CD2 4.01Å; R15-L21 HydrophobicContact CB-CD2 3.85Å; A16-L21 HydrophobicContact CB-CD1 4.05Å; A16-L21 HydrophobicContact CB-CG 4.38Å; F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 3.33Å; L21-E25 VanDerWaalsContact CA-OE1 3.28Å; L21-E25 WeakPolarHBondContact CA-OE1 3.39Å; L21-E25 HydrophobicContact CB-CG 4.02Å; L21-E25 HydrophobicContact CD2-CG 4.15Å; L21-Y37 HydrophobicContact CD1-CD1 4.14Å; L21-Y37 HydrophobicContact CD1-CE1 3.5Å; L21-Y37 VanDerWaalsContact CD1-CE1 3.5Å; L21-W115 WeakPolarHBondContact O-CH2 3.47Å; L21-L190 HydrophobicContact CD1-CD2 3.97Å
22T94.2Very high92.6Very high65 Ų6556.1 Ų56.140%0.39927%0.27SS..  trans-100.1158.1179.359.90000110.8N24 E25 S26T22-N24 VanDerWaalsContact C-N 3.26Å; T22-N24 PolarHBondContact O-N 3.49Å; T22-E25 WeakPolarHBondContact CB-OE1 3.49Å; T22-E25 PolarHBondContact N-OE1 2.92Å; T22-E25 PolarHBondContact O-N 3.35Å; T22-E25 VanDerWaalsContact O-N 3.15Å; T22-E25 PolarHBondContact OG1-OE1 3.47Å; T22-S26 PolarHBondContact O-N 3.03Å; T22-S26 PolarHBondContact O-OG 3.47Å
23P95.3Very high93.1Very high19 Ų1956.6 Ų56.612%0.12328%0.276CS..Hα-helixtrans-52.8-43.1173.8-27.934.8000112.9E25 S26 S27 A112 W115P23-E25 VanDerWaalsContact C-N 3.25Å; P23-E25 PolarHBondContact O-N 3.13Å; P23-S26 PolarHBondContact O-N 3.28Å; P23-S27 VanDerWaalsContact O-CB 3.23Å; P23-S27 WeakPolarHBondContact O-CB 3.45Å; P23-S27 PolarHBondContact O-N 3.43Å; P23-S27 PolarHBondContact O-OG 3.47Å; P23-A112 HydrophobicContact CB-CB 4.14Å; P23-A112 HydrophobicContact CG-CB 4.01Å; P23-W115 HydrophobicContact CB-CB 4.04Å; P23-W115 HydrophobicContact CB-CD2 4.3Å; P23-W115 HydrophobicContact CB-CG 3.89Å; P23-W115 HydrophobicContact CG-CB 4.08Å; P23-W115 HydrophobicContact CG-CD2 3.85Å; P23-W115 HydrophobicContact CG-CE3 4Å; P23-W115 HydrophobicContact CG-CG 3.88Å
24N92.3Very high93.6Very high157 Ų15757 Ų5784%0.8428%0.279SS*.Hα-helixtrans-64.2-24.8-177.9-68.2-2.2000114.2T22T22-N24 VanDerWaalsContact C-N 3.26Å; T22-N24 PolarHBondContact O-N 3.49Å
25E92Very high93.9Very high41 Ų4154.8 Ų54.819%0.19227%0.268CS..Hα-helixtrans-101.5-6-179.184.4-164.2113.600114R15 L21 T22 P23R15-E25 IonicContact CZ-OE1 3.56Å; R15-E25 IonicContact CZ-OE2 2.86Å; R15-E25 IonicContact NH1-OE1 3.37Å; R15-E25 IonicContact NH1-OE2 2.74Å; R15-E25 PolarHBondContact NH1-OE2 3.21Å; R15-E25 IonicContact NH2-OE1 3.38Å; R15-E25 PolarHBondContact NH2-OE1 3.44Å; R15-E25 IonicContact NH2-OE2 3.79Å; R15-E25 PolarHBondContact NH2-OE2 2.75Å; L21-E25 VanDerWaalsContact CA-OE1 3.28Å; L21-E25 WeakPolarHBondContact CA-OE1 3.39Å; L21-E25 HydrophobicContact CB-CG 4.02Å; L21-E25 HydrophobicContact CD2-CG 4.15Å; T22-E25 WeakPolarHBondContact CB-OE1 3.49Å; T22-E25 PolarHBondContact N-OE1 2.92Å; T22-E25 PolarHBondContact O-N 3.35Å; T22-E25 VanDerWaalsContact O-N 3.15Å; T22-E25 PolarHBondContact OG1-OE1 3.47Å; P23-E25 VanDerWaalsContact C-N 3.25Å; P23-E25 PolarHBondContact O-N 3.13Å
26S94.8Very high93.8Very high0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-140.520-170.765.10000113.9T22 P23 W115 V186T22-S26 PolarHBondContact O-N 3.03Å; T22-S26 PolarHBondContact O-OG 3.47Å; P23-S26 PolarHBondContact O-N 3.28Å; S26-W115 PolarHBondContact OG-NE1 2.9Å; S26-V186 VanDerWaalsContact O-CG2 3.3Å; S26-V186 WeakPolarHBondContact O-CG2 3.35Å
27S95.2Very high93.8Very high18 Ų1856.7 Ų56.713%0.12628%0.28CS..  trans-108.3131.9169.6-55.10000108.9P23 W109P23-S27 VanDerWaalsContact O-CB 3.23Å; P23-S27 WeakPolarHBondContact O-CB 3.45Å; P23-S27 PolarHBondContact O-N 3.43Å; P23-S27 PolarHBondContact O-OG 3.47Å; S27-W109 WeakPolarHBondContact CB-O 3.23Å
28F96.9Very high93.8Very high35 Ų3558 Ų5815%0.15429%0.288CS..  trans-135.9148-175.4-56.8-83.6000109.1E33 V34 P35 S182 V186F28-E33 HydrophobicContact CB-CB 4.04Å; F28-E33 HydrophobicContact CD1-CB 3.88Å; F28-E33 HydrophobicContact CG-CB 4.22Å; F28-V34 HydrophobicContact CB-CG2 4.21Å; F28-V34 HydrophobicContact CD2-CB 4.41Å; F28-V34 HydrophobicContact CD2-CG2 3.89Å; F28-V34 HydrophobicContact CG-CG2 4.26Å; F28-P35 VanDerWaalsContact CE2-CD 3.47Å; F28-P35 HydrophobicContact CE2-CG 4.4Å; F28-P35 HydrophobicContact CZ-CG 3.86Å; F28-S182 WeakPolarHBondContact O-CB 3.46Å; F28-S182 PolarHBondContact O-OG 3.2Å; F28-V186 HydrophobicContact CD2-CG2 3.84Å; F28-V186 HydrophobicContact CE2-CG2 4.02Å
29E96.5Very high93.6Very high111 Ų11160.5 Ų60.552%0.51930%0.301SS..SBendtrans-72.1-41.9176.8-173.7177.7170.200109.8E33 W109E29-E33 PolarHBondContact N-OE2 3.4Å; E29-W109 HydrophobicContact CB-CD2 4.02Å; E29-W109 HydrophobicContact CB-CE3 4.45Å; E29-W109 HydrophobicContact CB-CH2 4.26Å; E29-W109 HydrophobicContact CB-CZ2 3.79Å; E29-W109 HydrophobicContact CG-CZ2 4.26Å
30K96.6Very high93.5Very high112 Ų11261.9 Ų61.949%0.48731%0.307SS..SBendtrans-117.8151.5-173-61.9178.5-175.7169.70112.5E32 E33K30-E32 VanDerWaalsContact C-N 3.26Å; K30-E32 WeakPolarHBondContact CB-OE2 3.25Å; K30-E32 PolarHBondContact O-N 2.81Å; K30-E33 HydrophobicContact CB-CG 4.14Å; K30-E33 PolarHBondContact N-OE2 3.45Å; K30-E33 VanDerWaalsContact N-OE2 3.07Å; K30-E33 PolarHBondContact O-N 2.82Å
31V95.8Very high93.3Very high28 Ų2857.1 Ų57.117%0.1728%0.284CS..G310 helixtrans-65.5-33.6179.8176.90000111.2E33 V34 L92 L96 P181 A185V31-E33 PolarHBondContact O-N 3.03Å; V31-V34 VanDerWaalsContact O-CB 3.3Å; V31-V34 WeakPolarHBondContact O-CB 3.47Å; V31-V34 WeakPolarHBondContact O-CG2 3.39Å; V31-V34 PolarHBondContact O-N 3.37Å; V31-V34 VanDerWaalsContact O-N 3.12Å; V31-L92 HydrophobicContact CG1-CD1 4.3Å; V31-L92 HydrophobicContact CG1-CD2 3.95Å; V31-L96 HydrophobicContact CG2-CD2 4.3Å; V31-P181 HydrophobicContact CG2-CB 3.59Å; V31-A185 HydrophobicContact CG1-CB 4.37Å
32E94.5Very high93Very high161 Ų16160.9 Ų60.975%0.75230%0.303SS*.G310 helixtrans-66.7-22.5-179.7-61.371.8-154.900112.8K30 V34K30-E32 VanDerWaalsContact C-N 3.26Å; K30-E32 WeakPolarHBondContact CB-OE2 3.25Å; K30-E32 PolarHBondContact O-N 2.81Å; E32-V34 VanDerWaalsContact C-N 3.35Å
33E95.6Very high92.7Very high95 Ų9562.1 Ų62.144%0.44431%0.312SS..G310 helixtrans-81.9-18.3177.4-61.7171.6155.100112F28 E29 K30 V31 P35F28-E33 HydrophobicContact CB-CB 4.04Å; F28-E33 HydrophobicContact CD1-CB 3.88Å; F28-E33 HydrophobicContact CG-CB 4.22Å; E29-E33 PolarHBondContact N-OE2 3.4Å; K30-E33 HydrophobicContact CB-CG 4.14Å; K30-E33 PolarHBondContact N-OE2 3.45Å; K30-E33 VanDerWaalsContact N-OE2 3.07Å; K30-E33 PolarHBondContact O-N 2.82Å; V31-E33 PolarHBondContact O-N 3.03Å; E33-P35 VanDerWaalsContact O-CD 3.26Å; E33-P35 WeakPolarHBondContact O-CD 3.23Å
34V95.4Very high92.5Very high9 Ų963.6 Ų63.66%0.05532%0.315CS..SBendtrans-66.1119.6-179-179.30000109.5F28 V31 E32 Y37 A185 V186F28-V34 HydrophobicContact CB-CG2 4.21Å; F28-V34 HydrophobicContact CD2-CB 4.41Å; F28-V34 HydrophobicContact CD2-CG2 3.89Å; F28-V34 HydrophobicContact CG-CG2 4.26Å; V31-V34 VanDerWaalsContact O-CB 3.3Å; V31-V34 WeakPolarHBondContact O-CB 3.47Å; V31-V34 WeakPolarHBondContact O-CG2 3.39Å; V31-V34 PolarHBondContact O-N 3.37Å; V31-V34 VanDerWaalsContact O-N 3.12Å; E32-V34 VanDerWaalsContact C-N 3.35Å; V34-Y37 HydrophobicContact CG1-CE2 4.25Å; V34-A185 HydrophobicContact CG1-CB 4.46Å; V34-A185 HydrophobicContact CG2-CB 4.38Å; V34-V186 HydrophobicContact CB-CG2 4.5Å; V34-V186 HydrophobicContact CG1-CG2 3.66Å; V34-V186 HydrophobicContact CG2-CG2 4.05Å
35P93.7Very high92.4Very high19 Ų1957 Ų5712%0.12328%0.279CS..  trans-60.4147.8176.3-2333.7000112F28 E33 Y37 Q189F28-P35 VanDerWaalsContact CE2-CD 3.47Å; F28-P35 HydrophobicContact CE2-CG 4.4Å; F28-P35 HydrophobicContact CZ-CG 3.86Å; E33-P35 VanDerWaalsContact O-CD 3.26Å; E33-P35 WeakPolarHBondContact O-CD 3.23Å; P35-Y37 HydrophobicContact CB-CD1 4.31Å; P35-Y37 HydrophobicContact CB-CE1 4.09Å; P35-Y37 HydrophobicContact CB-CE2 4.33Å; P35-Y37 HydrophobicContact CG-CE1 4.2Å; P35-Y37 HydrophobicContact CG-CE2 4.39Å; P35-Y37 WeakPolarHBondContact O-CD2 3.45Å; P35-Y37 PolarHBondContact O-N 3.1Å; P35-Q189 PolarHBondContact O-NE2 3.48Å; P35-Q189 VanDerWaalsContact O-NE2 3.16Å; P35-Q189 PolarHBondContact O-OE1 3.22Å
36Q90.3Very high92.4Very high115 Ų11558.3 Ų58.354%0.53729%0.289SS..  trans-7671.7170.3-62.2-63.7-48.600109.7V38 Q39 Q40Q36-V38 PolarHBondContact O-N 3.06Å; Q36-Q39 HydrophobicContact CB-CB 3.97Å; Q36-Q39 WeakPolarHBondContact O-CB 3.37Å; Q36-Q39 PolarHBondContact O-N 3.38Å; Q36-Q40 PolarHBondContact O-N 3.19Å
37Y92.8Very high92.3Very high0 Ų060.1 Ų60.10%031%0.308CS..Hα-helixtrans-55.1-37.3-175.8-66.3-70.6000112.3R12 A16 L21 V34 P35 Q39 Q40 A41 V186 Q189R12-Y37 HydrophobicContact CG-CE1 4.05Å; A16-Y37 HydrophobicContact CB-CD1 4.06Å; A16-Y37 HydrophobicContact CB-CG 4.48Å; L21-Y37 HydrophobicContact CD1-CD1 4.14Å; L21-Y37 HydrophobicContact CD1-CE1 3.5Å; L21-Y37 VanDerWaalsContact CD1-CE1 3.5Å; V34-Y37 HydrophobicContact CG1-CE2 4.25Å; P35-Y37 HydrophobicContact CB-CD1 4.31Å; P35-Y37 HydrophobicContact CB-CE1 4.09Å; P35-Y37 HydrophobicContact CB-CE2 4.33Å; P35-Y37 HydrophobicContact CG-CE1 4.2Å; P35-Y37 HydrophobicContact CG-CE2 4.39Å; P35-Y37 WeakPolarHBondContact O-CD2 3.45Å; P35-Y37 PolarHBondContact O-N 3.1Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3.39Å; Y37-Q40 PolarHBondContact O-N 2.79Å; Y37-A41 WeakPolarHBondContact O-CB 3.44Å; Y37-A41 PolarHBondContact O-N 3.08Å; Y37-V186 HydrophobicContact CE2-CG1 4.22Å; Y37-V186 HydrophobicContact CE2-CG2 4.31Å; Y37-Q189 HydrophobicContact CD2-CB 4.43Å
38V89.6Confident92.3Very high27 Ų2761.5 Ų61.516%0.16431%0.314CS..Hα-helixtrans-61.1-41.6176.5-178.90000111.8Q36 A41 Q189 L192 L193Q36-V38 PolarHBondContact O-N 3.06Å; V38-A41 PolarHBondContact O-N 3.2Å; V38-Q189 HydrophobicContact CG2-CB 4.22Å; V38-Q189 HydrophobicContact CG2-CG 4.15Å; V38-L192 HydrophobicContact CG2-CD2 4.03Å; V38-L193 HydrophobicContact CG2-CD2 4.25Å; V38-L193 HydrophobicContact CG2-CG 4.25Å
39Q86.4Confident92.2Very high126 Ų12660.6 Ų60.659%0.58931%0.31SS*.Hα-helixtrans-70-39.5177.4-170.5176.613.700111.3Q36 Y37 A41 M42Q36-Q39 HydrophobicContact CB-CB 3.97Å; Q36-Q39 WeakPolarHBondContact O-CB 3.37Å; Q36-Q39 PolarHBondContact O-N 3.38Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3.39Å; Q39-A41 PolarHBondContact O-N 3.31Å; Q39-M42 WeakPolarHBondContact O-CB 3.43Å; Q39-M42 PolarHBondContact O-N 3.41Å
40Q88.9Confident92.1Very high55 Ų5560.1 Ų60.126%0.25731%0.311SS..Hα-helixtrans-64.7-29175.8-66.4176.16.400112.6Q36 Y37 M42Q36-Q40 PolarHBondContact O-N 3.19Å; Y37-Q40 PolarHBondContact O-N 2.79Å; Q40-M42 VanDerWaalsContact C-N 3.3Å; Q40-M42 PolarHBondContact O-N 3.22Å
41A89.1Confident92Very high0 Ų059.6 Ų59.60%031%0.313CS..THydrogen-bonded Turntrans-77.4-12.5177.800000113.8M17 Y37 V38 Q39 Y44 F45 L193M17-A41 HydrophobicContact CG-CB 4.02Å; M17-A41 HydrophobicContact SD-CB 4.24Å; Y37-A41 WeakPolarHBondContact O-CB 3.44Å; Y37-A41 PolarHBondContact O-N 3.08Å; V38-A41 PolarHBondContact O-N 3.2Å; Q39-A41 PolarHBondContact O-N 3.31Å; A41-Y44 WeakPolarHBondContact O-CA 3.46Å; A41-Y44 WeakPolarHBondContact O-CB 3.29Å; A41-Y44 PolarHBondContact O-N 2.78Å; A41-F45 HydrophobicContact CB-CD1 4.37Å; A41-F45 HydrophobicContact CB-CE1 3.89Å; A41-F45 HydrophobicContact CB-CZ 4.2Å; A41-F45 PolarHBondContact O-N 2.88Å; A41-F45 VanDerWaalsContact O-N 3.13Å; A41-L193 HydrophobicContact CB-CD2 3.51Å
42M87.2Confident92Very high86 Ų8658.9 Ų58.942%0.42431%0.308SS..Hα-helixtrans-57.2-43.7-170.1-176.282.2-66.900114.8Q39 Q40 Y44 F45 V46Q39-M42 WeakPolarHBondContact O-CB 3.43Å; Q39-M42 PolarHBondContact O-N 3.41Å; Q40-M42 VanDerWaalsContact C-N 3.3Å; Q40-M42 PolarHBondContact O-N 3.22Å; M42-Y44 PolarHBondContact O-N 3.24Å; M42-F45 HydrophobicContact CE-CB 3.54Å; M42-F45 HydrophobicContact CE-CD2 3.38Å; M42-F45 HydrophobicContact CE-CE2 4.4Å; M42-F45 HydrophobicContact CE-CG 3.83Å; M42-F45 PolarHBondContact O-N 3.35Å; M42-V46 PolarHBondContact O-N 3.13Å
43P89.1Confident92Very high91 Ų9154.6 Ų54.659%0.59129%0.288SS*.Hα-helixtrans-59.3-32.5175.7-24.535.9000113.2G47P43-G47 PolarHBondContact O-N 3.47Å
44Y89.8Confident91.9Very high50 Ų5054.1 Ų54.120%0.19629%0.292CS..Hα-helixtrans-75.3-36.6179.3-59.9-72.1000112.5V10 L14 M17 A41 M42 V46 G47 L48V10-Y44 WeakPolarHBondContact CG1-OH 3.43Å; V10-Y44 PolarHBondContact O-OH 3.47Å; L14-Y44 HydrophobicContact CB-CD1 4.32Å; L14-Y44 HydrophobicContact CB-CD2 4.5Å; L14-Y44 HydrophobicContact CB-CE1 3.93Å; L14-Y44 HydrophobicContact CB-CE2 4.1Å; L14-Y44 HydrophobicContact CD1-CD1 3.92Å; L14-Y44 HydrophobicContact CD1-CE1 4.22Å; L14-Y44 HydrophobicContact CD1-CG 4.32Å; L14-Y44 HydrophobicContact CD2-CE1 4.46Å; L14-Y44 HydrophobicContact CG-CE1 4.43Å; M17-Y44 VanDerWaalsContact SD-CB 3.51Å; M17-Y44 HydrophobicContact SD-CG 4.29Å; A41-Y44 WeakPolarHBondContact O-CA 3.46Å; A41-Y44 WeakPolarHBondContact O-CB 3.29Å; A41-Y44 PolarHBondContact O-N 2.78Å; M42-Y44 PolarHBondContact O-N 3.24Å; Y44-V46 VanDerWaalsContact C-N 3.3Å; Y44-V46 PolarHBondContact O-N 3.06Å; Y44-G47 PolarHBondContact O-N 3.42Å; Y44-L48 VanDerWaalsContact O-CB 3.26Å; Y44-L48 WeakPolarHBondContact O-CB 3.25Å; Y44-L48 VanDerWaalsContact O-CG 3.25Å; Y44-L48 WeakPolarHBondContact O-CG 3.48Å; Y44-L48 PolarHBondContact O-N 3.07Å
45F90.6Very high91.9Very high17 Ų1756 Ų568%0.07530%0.304CS..Hα-helixtrans-59-47.4173.5-69.32.5000110.1M17 A41 M42 L48 M49 L158 L193 F196M17-F45 HydrophobicContact CE-CD1 3.59Å; M17-F45 HydrophobicContact CE-CE1 3.52Å; M17-F45 HydrophobicContact CG-CE1 4.14Å; M17-F45 HydrophobicContact SD-CD1 3.83Å; M17-F45 HydrophobicContact SD-CE1 3.76Å; A41-F45 HydrophobicContact CB-CD1 4.37Å; A41-F45 HydrophobicContact CB-CE1 3.89Å; A41-F45 HydrophobicContact CB-CZ 4.2Å; A41-F45 PolarHBondContact O-N 2.88Å; A41-F45 VanDerWaalsContact O-N 3.13Å; M42-F45 HydrophobicContact CE-CB 3.54Å; M42-F45 HydrophobicContact CE-CD2 3.38Å; M42-F45 HydrophobicContact CE-CE2 4.4Å; M42-F45 HydrophobicContact CE-CG 3.83Å; M42-F45 PolarHBondContact O-N 3.35Å; F45-L48 PolarHBondContact O-N 2.79Å; F45-M49 HydrophobicContact CB-CE 4.45Å; F45-M49 WeakPolarHBondContact O-CB 3.46Å; F45-M49 WeakPolarHBondContact O-CE 3.3Å; F45-M49 VanDerWaalsContact O-CG 3.26Å; F45-M49 WeakPolarHBondContact O-CG 3.41Å; F45-M49 PolarHBondContact O-N 3.18Å; F45-L158 HydrophobicContact CD2-CD2 4.37Å; F45-L193 HydrophobicContact CE1-CD2 3.93Å; F45-L193 HydrophobicContact CZ-CD2 3.49Å; F45-L193 VanDerWaalsContact CZ-CD2 3.49Å; F45-F196 HydrophobicContact CB-CE1 4.34Å; F45-F196 HydrophobicContact CB-CE2 3.95Å; F45-F196 HydrophobicContact CB-CZ 3.77Å; F45-F196 AromaticContact CD1-CD1 3.72Å; F45-F196 HydrophobicContact CD1-CD1 3.72Å; F45-F196 HydrophobicContact CD1-CD2 4.02Å; F45-F196 AromaticContact CD1-CE1 3.77Å; F45-F196 HydrophobicContact CD1-CE1 3.77Å; F45-F196 HydrophobicContact CD1-CE2 4.09Å; F45-F196 AromaticContact CD1-CG 3.84Å; F45-F196 HydrophobicContact CD1-CG 3.84Å; F45-F196 AromaticContact CD1-CZ 3.96Å; F45-F196 HydrophobicContact CD1-CZ 3.96Å; F45-F196 HydrophobicContact CD2-CD2 4.1Å; F45-F196 HydrophobicContact CD2-CE2 4.13Å; F45-F196 HydrophobicContact CE1-CB 3.95Å; F45-F196 AromaticContact CE1-CD1 3.84Å; F45-F196 HydrophobicContact CE1-CD1 3.84Å; F45-F196 HydrophobicContact CE1-CD2 4.1Å; F45-F196 HydrophobicContact CE1-CE1 4.37Å; F45-F196 AromaticContact CE1-CG 3.68Å; F45-F196 HydrophobicContact CE1-CG 3.68Å; F45-F196 HydrophobicContact CE2-CD2 4.2Å; F45-F196 HydrophobicContact CG-CD1 4.41Å; F45-F196 HydrophobicContact CG-CD2 4.02Å; F45-F196 HydrophobicContact CG-CE1 4.21Å; F45-F196 AromaticContact CG-CE2 3.81Å; F45-F196 HydrophobicContact CG-CE2 3.81Å; F45-F196 HydrophobicContact CG-CG 4.31Å; F45-F196 AromaticContact CG-CZ 3.9Å; F45-F196 HydrophobicContact CG-CZ 3.9Å; F45-F196 HydrophobicContact CZ-CB 4.05Å; F45-F196 HydrophobicContact CZ-CD2 4.17Å; F45-F196 HydrophobicContact CZ-CG 4.03Å
46V91.1Very high91.9Very high69 Ų6955.3 Ų55.342%0.41830%0.299SS..Hα-helixtrans-62.4-47.9177.2178.90000110.9M42 Y44 L48 M49 L50M42-V46 PolarHBondContact O-N 3.13Å; Y44-V46 VanDerWaalsContact C-N 3.3Å; Y44-V46 PolarHBondContact O-N 3.06Å; V46-L48 PolarHBondContact O-N 3.4Å; V46-M49 HydrophobicContact CG2-CE 4.34Å; V46-M49 PolarHBondContact O-N 3.03Å; V46-L50 HydrophobicContact CG1-CD1 4.09Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.92Å
47G93.9Very high92Very high38 Ų3851.6 Ų51.639%0.39229%0.288SS..Hα-helixtrans-59.9-44.4178.800000113.3P43 Y44 L50 L51P43-G47 PolarHBondContact O-N 3.47Å; Y44-G47 PolarHBondContact O-N 3.42Å; G47-L50 PolarHBondContact O-N 2.87Å; G47-L51 VanDerWaalsContact O-CB 3.31Å; G47-L51 WeakPolarHBondContact O-CB 3.25Å; G47-L51 PolarHBondContact O-N 3.5Å
48L94.6Very high92Very high47 Ų4758.2 Ų58.225%0.24632%0.323CS..Hα-helixtrans-69.8-39179.1-71.3170.1000112.2M17 Y44 F45 V46 L51 E52 L154 F196M17-L48 HydrophobicContact CE-CD1 3.53Å; M17-L48 HydrophobicContact SD-CD1 4.39Å; Y44-L48 VanDerWaalsContact O-CB 3.26Å; Y44-L48 WeakPolarHBondContact O-CB 3.25Å; Y44-L48 VanDerWaalsContact O-CG 3.25Å; Y44-L48 WeakPolarHBondContact O-CG 3.48Å; Y44-L48 PolarHBondContact O-N 3.07Å; F45-L48 PolarHBondContact O-N 2.79Å; V46-L48 PolarHBondContact O-N 3.4Å; L48-L51 HydrophobicContact CD2-CD2 4.46Å; L48-L51 PolarHBondContact O-N 3.05Å; L48-E52 WeakPolarHBondContact O-CB 3.35Å; L48-E52 PolarHBondContact O-N 2.9Å; L48-L154 HydrophobicContact CB-CD1 3.77Å; L48-L154 WeakPolarHBondContact O-CD1 3.3Å; L48-F196 HydrophobicContact CB-CE1 4.18Å; L48-F196 HydrophobicContact CD1-CE1 4Å
49M94.8Very high92.1Very high16 Ų1662.6 Ų62.68%0.07934%0.343CS..Hα-helixtrans-60.6-46.4173.1-76-175.7-65.200111.3F45 V46 L51 E52 M53 L154 T155 L158 F196F45-M49 HydrophobicContact CB-CE 4.45Å; F45-M49 WeakPolarHBondContact O-CB 3.46Å; F45-M49 WeakPolarHBondContact O-CE 3.3Å; F45-M49 VanDerWaalsContact O-CG 3.26Å; F45-M49 WeakPolarHBondContact O-CG 3.41Å; F45-M49 PolarHBondContact O-N 3.18Å; V46-M49 HydrophobicContact CG2-CE 4.34Å; V46-M49 PolarHBondContact O-N 3.03Å; M49-L51 VanDerWaalsContact C-N 3.34Å; M49-L51 PolarHBondContact O-N 3.27Å; M49-E52 PolarHBondContact O-N 3.39Å; M49-M53 VanDerWaalsContact O-CG 3.29Å; M49-M53 WeakPolarHBondContact O-CG 3.34Å; M49-M53 PolarHBondContact O-N 3.33Å; M49-L154 HydrophobicContact CG-CB 3.67Å; M49-T155 HydrophobicContact CG-CG2 4.39Å; M49-T155 HydrophobicContact SD-CG2 3.78Å; M49-L158 HydrophobicContact CE-CD1 3.88Å; M49-L158 HydrophobicContact SD-CD1 3.74Å; M49-F196 HydrophobicContact CG-CZ 4.15Å
50L94.5Very high92.2Very high102 Ų10260.7 Ų60.753%0.53434%0.34SS..Hα-helixtrans-63.6-41.6176.7-68.5174.5000111.6V46 G47 M53 V54V46-L50 HydrophobicContact CG1-CD1 4.09Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.92Å; G47-L50 PolarHBondContact O-N 2.87Å; L50-M53 PolarHBondContact O-N 2.84Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.28Å; L50-V54 VanDerWaalsContact O-N 3.08Å
51L95.6Very high92.2Very high100 Ų10061.5 Ų61.552%0.52436%0.363SS..Hα-helixtrans-61.8-45.5176.5-179.462.9000111.4G47 L48 M49 M53 V54 V55G47-L51 VanDerWaalsContact O-CB 3.31Å; G47-L51 WeakPolarHBondContact O-CB 3.25Å; G47-L51 PolarHBondContact O-N 3.5Å; L48-L51 HydrophobicContact CD2-CD2 4.46Å; L48-L51 PolarHBondContact O-N 3.05Å; M49-L51 VanDerWaalsContact C-N 3.34Å; M49-L51 PolarHBondContact O-N 3.27Å; L51-M53 VanDerWaalsContact C-N 3.34Å; L51-M53 PolarHBondContact O-N 2.93Å; L51-V54 PolarHBondContact O-N 3.38Å; L51-V55 HydrophobicContact CD1-CG2 3.83Å; L51-V55 HydrophobicContact CG-CG2 4.17Å; L51-V55 WeakPolarHBondContact O-CB 3.32Å; L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 3.03Å
52E95.7Very high92Very high14 Ų1464.3 Ų64.37%0.06538%0.383CS..Hα-helixtrans-61.8-41.7176.6-176.9-175.4-133.200111.6L48 M49 V54 V55 G56 N153 L154 T200 V202L48-E52 WeakPolarHBondContact O-CB 3.35Å; L48-E52 PolarHBondContact O-N 2.9Å; M49-E52 PolarHBondContact O-N 3.39Å; E52-V54 VanDerWaalsContact C-N 3.31Å; E52-V54 PolarHBondContact O-N 3.41Å; E52-V55 PolarHBondContact O-N 2.98Å; E52-G56 WeakPolarHBondContact O-CA 3.19Å; E52-G56 PolarHBondContact O-N 3.21Å; E52-N153 WeakPolarHBondContact OE2-CB 3.17Å; E52-L154 HydrophobicContact CB-CD1 3.97Å; E52-L154 VanDerWaalsContact OE2-CB 3.3Å; E52-L154 WeakPolarHBondContact OE2-CB 3.47Å; E52-L154 VanDerWaalsContact OE2-CG 3.31Å; E52-L154 WeakPolarHBondContact OE2-CG 3.44Å; E52-L154 PolarHBondContact OE2-N 3.17Å; E52-T200 WeakPolarHBondContact OE1-CA 3.28Å; E52-T200 WeakPolarHBondContact OE1-CB 3.41Å; E52-T200 PolarHBondContact OE1-OG1 3.2Å; E52-V202 HydrophobicContact CG-CG2 3.98Å
53M93.3Very high91.9Very high70 Ų7065.2 Ų65.235%0.34540%0.395SS..Hα-helixtrans-58.6-43.4175.6-71179.1-161.700111.9M49 L50 L51 A57 V64 V65 T155M49-M53 VanDerWaalsContact O-CG 3.29Å; M49-M53 WeakPolarHBondContact O-CG 3.34Å; M49-M53 PolarHBondContact O-N 3.33Å; L50-M53 PolarHBondContact O-N 2.84Å; L51-M53 VanDerWaalsContact C-N 3.34Å; L51-M53 PolarHBondContact O-N 2.93Å; M53-A57 WeakPolarHBondContact O-CB 3.31Å; M53-A57 PolarHBondContact O-N 3.24Å; M53-A57 VanDerWaalsContact O-N 3.14Å; M53-V64 HydrophobicContact CB-CG2 4.38Å; M53-V64 HydrophobicContact CG-CG2 4.04Å; M53-V65 HydrophobicContact CE-CG1 3.98Å; M53-V65 HydrophobicContact CG-CG1 4.29Å; M53-V65 HydrophobicContact SD-CG1 4.43Å; M53-T155 HydrophobicContact CE-CG2 4.17Å
54V94.5Very high91.9Very high86 Ų8662.4 Ų62.452%0.52138%0.377SS..Hα-helixtrans-69.3-54177.9173.60000111L50 L51 E52 G56 A57 L58L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.28Å; L50-V54 VanDerWaalsContact O-N 3.08Å; L51-V54 PolarHBondContact O-N 3.38Å; E52-V54 VanDerWaalsContact C-N 3.31Å; E52-V54 PolarHBondContact O-N 3.41Å; V54-G56 PolarHBondContact O-N 2.86Å; V54-A57 PolarHBondContact O-N 3.48Å; V54-L58 HydrophobicContact CG1-CD1 3.98Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 2.95Å; V54-L58 PolarHBondContact O-N 2.89Å
55V95.4Very high91.8Very high49 Ų4960.9 Ų60.930%0.29737%0.372SS..Hα-helixtrans-61.9-47.4-176.2170.80000110.8L51 E52 A57 L58 M59 V202L51-V55 HydrophobicContact CD1-CG2 3.83Å; L51-V55 HydrophobicContact CG-CG2 4.17Å; L51-V55 WeakPolarHBondContact O-CB 3.32Å; L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 3.03Å; E52-V55 PolarHBondContact O-N 2.98Å; V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 3.35Å; V55-L58 PolarHBondContact O-N 3.44Å; V55-M59 HydrophobicContact CG1-CG 4.35Å; V55-M59 HydrophobicContact CG1-SD 3.72Å; V55-M59 VanDerWaalsContact O-CG 3.3Å; V55-M59 WeakPolarHBondContact O-CG 3.34Å; V55-M59 PolarHBondContact O-N 3.27Å; V55-V202 HydrophobicContact CG1-CG1 3.89Å
56G92.9Very high92Very high3 Ų362.1 Ų62.13%0.03138%0.381CS..Hα-helixtrans-68.1-32.7179.800000113.1E52 V54 M59 T60 V64E52-G56 WeakPolarHBondContact O-CA 3.19Å; E52-G56 PolarHBondContact O-N 3.21Å; V54-G56 PolarHBondContact O-N 2.86Å; G56-M59 PolarHBondContact O-N 2.75Å; G56-T60 WeakPolarHBondContact O-CB 3.36Å; G56-T60 WeakPolarHBondContact O-CG2 3.4Å; G56-T60 PolarHBondContact O-N 3.46Å; G56-T60 PolarHBondContact O-OG1 3.39Å; G56-V64 VanDerWaalsContact CA-CG1 3.45Å
57A91.9Very high92.1Very high37 Ų3762.2 Ų62.231%0.30638%0.379SS..Hα-helixtrans-65.7-40.4171.400000112.4M53 V54 V55 G61 S62M53-A57 WeakPolarHBondContact O-CB 3.31Å; M53-A57 PolarHBondContact O-N 3.24Å; M53-A57 VanDerWaalsContact O-N 3.14Å; V54-A57 PolarHBondContact O-N 3.48Å; V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 3.35Å; A57-G61 VanDerWaalsContact O-CA 3.25Å; A57-G61 WeakPolarHBondContact O-CA 3.4Å; A57-G61 PolarHBondContact O-N 2.81Å; A57-S62 VanDerWaalsContact CA-O 3.32Å; A57-S62 WeakPolarHBondContact CA-O 3.15Å
58L93.9Very high92.2Very high140 Ų14060.6 Ų60.673%0.73336%0.362SS*.Hα-helixtrans-66.6-37.3174.9-67.4171.9000112.1V54 V55V54-L58 HydrophobicContact CG1-CD1 3.98Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 2.95Å; V54-L58 PolarHBondContact O-N 2.89Å; V55-L58 PolarHBondContact O-N 3.44Å
59M91.4Very high92.3Very high118 Ų11858.6 Ų58.658%0.58135%0.351SS*.Hα-helixtrans-73.8-38.5-179.8-73.5175.167.400113.5V55 G56 V202V55-M59 HydrophobicContact CG1-CG 4.35Å; V55-M59 HydrophobicContact CG1-SD 3.72Å; V55-M59 VanDerWaalsContact O-CG 3.3Å; V55-M59 WeakPolarHBondContact O-CG 3.34Å; V55-M59 PolarHBondContact O-N 3.27Å; G56-M59 PolarHBondContact O-N 2.75Å; M59-V202 HydrophobicContact SD-CG1 3.91Å
60T88.2Confident92.4Very high86 Ų8658.2 Ų58.253%0.52835%0.351SS..Hα-helixtrans-101.7-14.2-173.566.20000113.6G56 S62G56-T60 WeakPolarHBondContact O-CB 3.36Å; G56-T60 WeakPolarHBondContact O-CG2 3.4Å; G56-T60 PolarHBondContact O-N 3.46Å; G56-T60 PolarHBondContact O-OG1 3.39Å; T60-S62 PolarHBondContact O-N 2.98Å; T60-S62 PolarHBondContact OG1-N 3.03Å; T60-S62 PolarHBondContact OG1-O 2.86Å; T60-S62 PolarHBondContact OG1-OG 3.23Å
61G88.6Confident92.5Very high72 Ų7254 Ų5474%0.74233%0.33SS*.SBendtrans71.510.7-170.600000113.8A57A57-G61 VanDerWaalsContact O-CA 3.25Å; A57-G61 WeakPolarHBondContact O-CA 3.4Å; A57-G61 PolarHBondContact O-N 2.81Å
62S84.8Confident92.6Very high60 Ų6049.5 Ų49.542%0.4231%0.306SS..SBendtrans-147.4155.3-176.465.50000112.4A57 T60 V64A57-S62 VanDerWaalsContact CA-O 3.32Å; A57-S62 WeakPolarHBondContact CA-O 3.15Å; T60-S62 PolarHBondContact O-N 2.98Å; T60-S62 PolarHBondContact OG1-N 3.03Å; T60-S62 PolarHBondContact OG1-O 2.86Å; T60-S62 PolarHBondContact OG1-OG 3.23Å; S62-V64 PolarHBondContact O-N 3.35Å
63P85.2Confident92.7Very high105 Ų10548.8 Ų48.868%0.68230%0.303SS*.  trans-58.9133.2176.4-23.133.8000112.5V65P63-V65 PolarHBondContact O-N 3.46Å
64V88.5Confident92.9Very high32 Ų3248 Ų4819%0.19430%0.3CS..SBendtrans-69-21177-64.10000114M53 G56 S62M53-V64 HydrophobicContact CB-CG2 4.38Å; M53-V64 HydrophobicContact CG-CG2 4.04Å; G56-V64 VanDerWaalsContact CA-CG1 3.45Å; S62-V64 PolarHBondContact O-N 3.35Å
65V89.3Confident93.1Very high18 Ų1844.3 Ų44.311%0.10928%0.278CS..SBendtrans-145.2142.7-176.467.40000109M53 P63 D69M53-V65 HydrophobicContact CE-CG1 3.98Å; M53-V65 HydrophobicContact CG-CG1 4.29Å; M53-V65 HydrophobicContact SD-CG1 4.43Å; P63-V65 PolarHBondContact O-N 3.46Å; V65-D69 HydrophobicContact CG2-CB 4.3Å
66T93.4Very high93.2Very high42 Ų4242 Ų4226%0.25826%0.264SS..  trans-84.6154.4171.857.60000110.5S68 D69 G70 Y151T66-S68 PolarHBondContact O-N 3.12Å; T66-S68 PolarHBondContact OG1-OG 2.94Å; T66-D69 PolarHBondContact O-N 3.48Å; T66-D69 WeakPolarHBondContact OG1-CB 3.46Å; T66-D69 PolarHBondContact OG1-N 3.44Å; T66-G70 PolarHBondContact O-N 2.76Å; T66-Y151 HydrophobicContact CG2-CE1 4.13Å; T66-Y151 HydrophobicContact CG2-CE2 4.22Å; T66-Y151 WeakPolarHBondContact CG2-OH 3.42Å
67L94.3Very high93.4Very high72 Ų7242.6 Ų42.638%0.37727%0.269SS..Hα-helixtrans-55.8-41.8175.2-17764.8000111.4L71 W329 Q334L67-L71 HydrophobicContact CD1-CD1 3.88Å; L67-L71 HydrophobicContact CD1-CD2 4.41Å; L67-L71 HydrophobicContact CD1-CG 3.91Å; L67-L71 HydrophobicContact CG-CD1 3.91Å; L67-L71 HydrophobicContact CG-CG 4.24Å; L67-L71 VanDerWaalsContact O-CB 3.26Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CG 3.24Å; L67-L71 PolarHBondContact O-N 3.43Å; L67-W329 HydrophobicContact CD2-CH2 4.08Å; L67-W329 HydrophobicContact CD2-CZ2 4.06Å; L67-W329 HydrophobicContact CG-CZ2 4.47Å; L67-Q334 HydrophobicContact CD2-CB 3.78Å; L67-Q334 HydrophobicContact CD2-CG 4.15Å
68S96.1Very high93.6Very high4 Ų441.2 Ų41.23%0.02826%0.257CS..Hα-helixtrans-61.6-48.9178.647.90000112.3T66 T72 F266T66-S68 PolarHBondContact O-N 3.12Å; T66-S68 PolarHBondContact OG1-OG 2.94Å; S68-T72 WeakPolarHBondContact O-CB 3.36Å; S68-T72 PolarHBondContact O-N 2.98Å; S68-T72 PolarHBondContact O-OG1 2.83Å; S68-T72 VanDerWaalsContact O-OG1 3.12Å; S68-F266 WeakPolarHBondContact OG-CZ 3.38Å
69D96.3Very high93.8Very high4 Ų434.7 Ų34.72%0.02122%0.223CC..Hα-helixtrans-68.6-43.9-178.3-165.977.1000112.3V65 T66 L71 T72 S73 S149 Y151 R159 F266V65-D69 HydrophobicContact CG2-CB 4.3Å; T66-D69 PolarHBondContact O-N 3.48Å; T66-D69 WeakPolarHBondContact OG1-CB 3.46Å; T66-D69 PolarHBondContact OG1-N 3.44Å; D69-L71 PolarHBondContact O-N 3.44Å; D69-T72 PolarHBondContact O-N 3.13Å; D69-S73 PolarHBondContact O-N 3.06Å; D69-S73 PolarHBondContact O-OG 2.72Å; D69-S73 VanDerWaalsContact O-OG 3.1Å; D69-S149 VanDerWaalsContact CG-OG 3.22Å; D69-S149 PolarHBondContact OD1-OG 2.73Å; D69-S149 VanDerWaalsContact OD1-OG 3.13Å; D69-S149 PolarHBondContact OD2-OG 2.95Å; D69-Y151 HydrophobicContact CB-CD2 3.6Å; D69-Y151 HydrophobicContact CB-CE2 3.95Å; D69-Y151 HydrophobicContact CB-CG 4.45Å; D69-Y151 VanDerWaalsContact CG-CD2 3.46Å; D69-R159 PolarHBondContact O-NH2 3.4Å; D69-R159 IonicContact OD1-CZ 3.87Å; D69-R159 IonicContact OD1-NH1 3.99Å; D69-R159 IonicContact OD1-NH2 3.15Å; D69-R159 PolarHBondContact OD1-NH2 2.92Å; D69-R159 IonicContact OD2-NH2 3.89Å; D69-R159 PolarHBondContact OD2-NH2 3.25Å; D69-F266 HydrophobicContact CB-CE1 4.24Å
70G96Very high93.9Very high8 Ų829.9 Ų29.98%0.08220%0.201CC..Hα-helixtrans-61.7-44.1177.800000112.2T66 S73 L74T66-G70 PolarHBondContact O-N 2.76Å; G70-S73 PolarHBondContact O-N 3.23Å; G70-L74 WeakPolarHBondContact O-CG 3.28Å; G70-L74 PolarHBondContact O-N 3.16Å
71L97Very high94.2Very high15 Ų1530.8 Ų30.88%0.07919%0.194CC..Hα-helixtrans-65.4-39.8176.3-70.9-175000112.2L67 D69 L74 S75 V337 F341L67-L71 HydrophobicContact CD1-CD1 3.88Å; L67-L71 HydrophobicContact CD1-CD2 4.41Å; L67-L71 HydrophobicContact CD1-CG 3.91Å; L67-L71 HydrophobicContact CG-CD1 3.91Å; L67-L71 HydrophobicContact CG-CG 4.24Å; L67-L71 VanDerWaalsContact O-CB 3.26Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CG 3.24Å; L67-L71 PolarHBondContact O-N 3.43Å; D69-L71 PolarHBondContact O-N 3.44Å; L71-L74 PolarHBondContact O-N 3.09Å; L71-S75 WeakPolarHBondContact O-CB 3.18Å; L71-S75 PolarHBondContact O-N 3.3Å; L71-S75 PolarHBondContact O-OG 3.4Å; L71-V337 HydrophobicContact CD1-CG1 3.52Å; L71-F341 HydrophobicContact CD1-CB 4.48Å; L71-F341 HydrophobicContact CD2-CB 4.12Å; L71-F341 HydrophobicContact CD2-CD1 3.38Å; L71-F341 HydrophobicContact CD2-CD2 3.84Å; L71-F341 HydrophobicContact CD2-CE1 3.65Å; L71-F341 HydrophobicContact CD2-CE2 4.08Å; L71-F341 HydrophobicContact CD2-CG 3.48Å; L71-F341 VanDerWaalsContact CD2-CG 3.48Å; L71-F341 HydrophobicContact CD2-CZ 4Å
72T97.9Very high94.4Very high4 Ų427.9 Ų27.93%0.02516%0.162CC..Hα-helixtrans-65.5-38.8175.2-65.10000111.7S68 D69 S75 A76 F266 I268 V271S68-T72 WeakPolarHBondContact O-CB 3.36Å; S68-T72 PolarHBondContact O-N 2.98Å; S68-T72 PolarHBondContact O-OG1 2.83Å; S68-T72 VanDerWaalsContact O-OG1 3.12Å; D69-T72 PolarHBondContact O-N 3.13Å; T72-S75 PolarHBondContact O-N 3.49Å; T72-A76 WeakPolarHBondContact O-CB 3.35Å; T72-A76 PolarHBondContact O-N 2.96Å; T72-F266 WeakPolarHBondContact OG1-CB 3.24Å; T72-F266 WeakPolarHBondContact OG1-CD1 3.43Å; T72-F266 PolarHBondContact OG1-O 3.22Å; T72-I268 HydrophobicContact CG2-CD1 4.09Å; T72-V271 HydrophobicContact CG2-CG2 4.38Å
73S97.9Very high94.8Very high0 Ų025.7 Ų25.70%015%0.146CC..Hα-helixtrans-61.6-48.2174.2-64.70000111.9D69 G70 S75 A76 G77 T155 L158 R159D69-S73 PolarHBondContact O-N 3.06Å; D69-S73 PolarHBondContact O-OG 2.72Å; D69-S73 VanDerWaalsContact O-OG 3.1Å; G70-S73 PolarHBondContact O-N 3.23Å; S73-S75 PolarHBondContact O-N 3.5Å; S73-A76 PolarHBondContact O-N 3.47Å; S73-G77 PolarHBondContact O-N 3.34Å; S73-T155 WeakPolarHBondContact CB-O 3.23Å; S73-L158 CarbonylContact O-C 3.58Å; S73-R159 PolarHBondContact OG-NE 3.08Å; S73-R159 PolarHBondContact OG-NH2 3.07Å
74L97.2Very high95Very high54 Ų5422.6 Ų22.628%0.28312%0.124SC..Hα-helixtrans-64.6-40.1176.6-66.6172.4000112.2G70 L71 A76 G77 M78 L158 F341G70-L74 WeakPolarHBondContact O-CG 3.28Å; G70-L74 PolarHBondContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.09Å; L74-A76 PolarHBondContact O-N 3.1Å; L74-G77 PolarHBondContact O-N 3.47Å; L74-M78 WeakPolarHBondContact O-CG 3.39Å; L74-M78 PolarHBondContact O-N 3.02Å; L74-L158 HydrophobicContact CD2-CD1 3.55Å; L74-F341 HydrophobicContact CB-CE1 4.28Å; L74-F341 HydrophobicContact CB-CZ 3.64Å; L74-F341 HydrophobicContact CD1-CE1 4.02Å; L74-F341 HydrophobicContact CD1-CZ 4.21Å
75S98.4Very high95.1Very high8 Ų821.6 Ų21.66%0.05612%0.117CC..Hα-helixtrans-60.2-44.3175.9-61.60000111.6L71 T72 S73 G77 M78 I79 F341L71-S75 WeakPolarHBondContact O-CB 3.18Å; L71-S75 PolarHBondContact O-N 3.3Å; L71-S75 PolarHBondContact O-OG 3.4Å; T72-S75 PolarHBondContact O-N 3.49Å; S73-S75 PolarHBondContact O-N 3.5Å; S75-G77 VanDerWaalsContact C-N 3.33Å; S75-M78 PolarHBondContact O-N 3.14Å; S75-I79 WeakPolarHBondContact O-CG1 3.39Å; S75-I79 PolarHBondContact O-N 3.49Å; S75-F341 WeakPolarHBondContact OG-CE2 3.33Å
76A98.4Very high95Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-62-42.817500000111.1T72 S73 L74 M78 I79 S80 V145 R159 Q160 I268T72-A76 WeakPolarHBondContact O-CB 3.35Å; T72-A76 PolarHBondContact O-N 2.96Å; S73-A76 PolarHBondContact O-N 3.47Å; L74-A76 PolarHBondContact O-N 3.1Å; A76-M78 PolarHBondContact O-N 3.09Å; A76-I79 PolarHBondContact O-N 3.01Å; A76-S80 PolarHBondContact O-N 3.29Å; A76-V145 HydrophobicContact CB-CG1 4.17Å; A76-R159 HydrophobicContact CB-CB 4.5Å; A76-R159 HydrophobicContact CB-CG 3.9Å; A76-Q160 CarbonylContact C-O 3.44Å; A76-Q160 VanDerWaalsContact O-O 3.11Å; A76-I268 HydrophobicContact CB-CD1 3.96Å
77G96.3Very high94.5Very high15 Ų1527.3 Ų27.316%0.15515%0.147CC..Hα-helixtrans-57.1-48.317300000112.8S73 L74 S75 I79 S80 R81 L158S73-G77 PolarHBondContact O-N 3.34Å; L74-G77 PolarHBondContact O-N 3.47Å; S75-G77 VanDerWaalsContact C-N 3.33Å; G77-I79 PolarHBondContact O-N 3.05Å; G77-S80 PolarHBondContact O-N 2.95Å; G77-S80 PolarHBondContact O-OG 2.83Å; G77-R81 WeakPolarHBondContact O-CG 3.11Å; G77-L158 WeakPolarHBondContact CA-O 3.48Å; G77-L158 PolarHBondContact N-O 3.24Å
78M96.9Very high94Very high9 Ų934.1 Ų34.14%0.04417%0.168CC..Hα-helixtrans-57.9-47.6175-67.1167.569.600111.4L74 S75 A76 S80 R81 F341 L345 Y348 V370 L374L74-M78 WeakPolarHBondContact O-CG 3.39Å; L74-M78 PolarHBondContact O-N 3.02Å; S75-M78 PolarHBondContact O-N 3.14Å; A76-M78 PolarHBondContact O-N 3.09Å; M78-S80 PolarHBondContact O-N 2.71Å; M78-R81 PolarHBondContact O-N 2.74Å; M78-F341 HydrophobicContact SD-CE2 4.16Å; M78-F341 HydrophobicContact SD-CZ 3.96Å; M78-L345 HydrophobicContact CE-CD1 4.26Å; M78-L345 HydrophobicContact CG-CD1 4.37Å; M78-L345 HydrophobicContact SD-CD1 3.94Å; M78-Y348 HydrophobicContact CB-CD2 4.13Å; M78-Y348 HydrophobicContact CB-CE2 3.93Å; M78-Y348 HydrophobicContact CE-CD1 4.32Å; M78-Y348 HydrophobicContact CE-CD2 3.99Å; M78-Y348 HydrophobicContact CE-CG 3.69Å; M78-Y348 HydrophobicContact CG-CD1 4.44Å; M78-Y348 HydrophobicContact CG-CD2 4.42Å; M78-Y348 HydrophobicContact CG-CE1 4.47Å; M78-Y348 HydrophobicContact CG-CE2 4.4Å; M78-Y348 HydrophobicContact CG-CG 4.44Å; M78-Y348 WeakPolarHBondContact O-CE2 3.47Å; M78-V370 HydrophobicContact CE-CG1 4.28Å; M78-L374 HydrophobicContact CB-CD1 4.48Å; M78-L374 HydrophobicContact CE-CD2 4.44Å; M78-L374 HydrophobicContact SD-CD2 4.34Å
79I96.9Very high93.4Very high3 Ų335.9 Ų35.92%0.01518%0.18CC..Hα-helixtrans-62.7-41.3-179.2-71.4-179.4000111.9S75 A76 G77 R81 L82 L162 I268 Q272 L371 L374S75-I79 WeakPolarHBondContact O-CG1 3.39Å; S75-I79 PolarHBondContact O-N 3.49Å; A76-I79 PolarHBondContact O-N 3.01Å; G77-I79 PolarHBondContact O-N 3.05Å; I79-R81 PolarHBondContact O-N 3.07Å; I79-L82 HydrophobicContact CB-CD1 4.4Å; I79-L82 HydrophobicContact CG1-CD1 4.18Å; I79-L82 WeakPolarHBondContact O-CB 3.15Å; I79-L82 PolarHBondContact O-N 3.3Å; I79-L82 VanDerWaalsContact O-N 3.1Å; I79-L162 HydrophobicContact CG2-CB 3.87Å; I79-L162 HydrophobicContact CG2-CD1 3.97Å; I79-L162 HydrophobicContact CG2-CG 4.36Å; I79-L162 WeakPolarHBondContact O-CD1 3.49Å; I79-I268 HydrophobicContact CD1-CB 4.24Å; I79-I268 HydrophobicContact CD1-CD1 4.48Å; I79-I268 HydrophobicContact CD1-CG1 3.34Å; I79-I268 HydrophobicContact CD1-CG2 3.83Å; I79-Q272 HydrophobicContact CG2-CG 4.37Å; I79-L371 HydrophobicContact CD1-CD2 3.65Å; I79-L371 HydrophobicContact CG1-CD2 3.7Å; I79-L371 HydrophobicContact CG2-CD2 4.47Å; I79-L374 HydrophobicContact CD1-CD1 4.11Å; I79-L374 HydrophobicContact CG1-CD1 3.87Å
80S94.9Very high93Very high17 Ų1737.5 Ų37.512%0.11919%0.191CC..Hα-helixtrans-56.7-27.1-179.176.40000113.7A76 G77 M78 S161 Q165A76-S80 PolarHBondContact O-N 3.29Å; G77-S80 PolarHBondContact O-N 2.95Å; G77-S80 PolarHBondContact O-OG 2.83Å; M78-S80 PolarHBondContact O-N 2.71Å; S80-S161 WeakPolarHBondContact CB-O 3.36Å; S80-Q165 PolarHBondContact O-NE2 2.89Å
81R93.6Very high92.8Very high104 Ų10438.6 Ų38.639%0.39219%0.194SC..Hα-helixtrans-93.9-17.2-177.3-55.2-63.1-99.4174.1-6.4113.3G77 M78 I79 P83 L84 Y348 F352G77-R81 WeakPolarHBondContact O-CG 3.11Å; M78-R81 PolarHBondContact O-N 2.74Å; I79-R81 PolarHBondContact O-N 3.07Å; R81-P83 VanDerWaalsContact C-N 3.26Å; R81-P83 VanDerWaalsContact O-N 3.13Å; R81-L84 VanDerWaalsContact O-CB 3.24Å; R81-L84 WeakPolarHBondContact O-CB 3.39Å; R81-L84 PolarHBondContact O-N 3.15Å; R81-Y348 VanDerWaalsContact CB-OH 3.23Å; R81-Y348 WeakPolarHBondContact CB-OH 3.46Å; R81-F352 HydrophobicContact CB-CZ 3.99Å; R81-F352 WeakPolarHBondContact O-CZ 3.24Å
82L93.8Very high92.6Very high11 Ų1140.3 Ų40.36%0.05820%0.203CC..G310 helixtrans-52-35.8-177.6-66.5174.2000114I79 L84 L85 Y348 T367 L371I79-L82 HydrophobicContact CB-CD1 4.4Å; I79-L82 HydrophobicContact CG1-CD1 4.18Å; I79-L82 WeakPolarHBondContact O-CB 3.15Å; I79-L82 PolarHBondContact O-N 3.3Å; I79-L82 VanDerWaalsContact O-N 3.1Å; L82-L84 PolarHBondContact O-N 3.05Å; L82-L84 VanDerWaalsContact O-N 3.15Å; L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 VanDerWaalsContact O-CB 3.25Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.25Å; L82-L85 PolarHBondContact O-N 3.27Å; L82-Y348 HydrophobicContact CD2-CD2 4.12Å; L82-Y348 HydrophobicContact CD2-CE2 3.97Å; L82-T367 HydrophobicContact CB-CG2 4.37Å; L82-T367 HydrophobicContact CD1-CG2 3.98Å; L82-T367 HydrophobicContact CD2-CG2 4.17Å; L82-T367 HydrophobicContact CG-CG2 4.4Å; L82-L371 HydrophobicContact CD1-CD2 3.71Å; L82-L371 HydrophobicContact CD1-CG 4.07Å
83P92.4Very high92.4Very high14 Ų1442.6 Ų42.69%0.09122%0.219CC..G310 helixtrans-59.8-25.3176.1-3142.4000114.6R81 L85 V86 M87 L162 F166R81-P83 VanDerWaalsContact C-N 3.26Å; R81-P83 VanDerWaalsContact O-N 3.13Å; P83-L85 PolarHBondContact O-N 3.16Å; P83-L85 VanDerWaalsContact O-N 3.13Å; P83-V86 VanDerWaalsContact O-CG2 3.29Å; P83-V86 WeakPolarHBondContact O-CG2 3.42Å; P83-V86 PolarHBondContact O-N 3.12Å; P83-M87 WeakPolarHBondContact O-CG 3.09Å; P83-M87 PolarHBondContact O-N 3.38Å; P83-L162 HydrophobicContact CG-CD1 3.46Å; P83-L162 VanDerWaalsContact CG-CD1 3.46Å; P83-L162 HydrophobicContact CG-CG 4.46Å; P83-F166 HydrophobicContact CB-CZ 3.82Å; P83-F166 HydrophobicContact CG-CE2 4.31Å; P83-F166 HydrophobicContact CG-CZ 4.06Å
84L90.6Very high92.2Very high40 Ų4043.7 Ų43.721%0.20923%0.228CC..G310 helixtrans-68.9-5.9175.5-58.7177.7000114.1R81 L82 M87 F352 K355R81-L84 VanDerWaalsContact O-CB 3.24Å; R81-L84 WeakPolarHBondContact O-CB 3.39Å; R81-L84 PolarHBondContact O-N 3.15Å; L82-L84 PolarHBondContact O-N 3.05Å; L82-L84 VanDerWaalsContact O-N 3.15Å; L84-M87 WeakPolarHBondContact CA-O 3.15Å; L84-F352 HydrophobicContact CB-CE1 4.21Å; L84-K355 PolarHBondContact O-NZ 2.77Å
85L90.4Very high92.3Very high12 Ų1241.1 Ų41.16%0.06322%0.215CC..G310 helixtrans-80.6-27.3170.9-64.4172.9000112.3L82 P83 L351 F352 K355 I363L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 VanDerWaalsContact O-CB 3.25Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.25Å; L82-L85 PolarHBondContact O-N 3.27Å; P83-L85 PolarHBondContact O-N 3.16Å; P83-L85 VanDerWaalsContact O-N 3.13Å; L85-L351 HydrophobicContact CD1-CD2 3.6Å; L85-L351 HydrophobicContact CD1-CG 3.97Å; L85-L351 HydrophobicContact CD2-CG 4.13Å; L85-F352 HydrophobicContact CD1-CE2 3.96Å; L85-F352 HydrophobicContact CD1-CZ 4.3Å; L85-F352 HydrophobicContact CD2-CD1 3.97Å; L85-F352 HydrophobicContact CD2-CD2 3.76Å; L85-F352 HydrophobicContact CD2-CE1 3.91Å; L85-F352 HydrophobicContact CD2-CE2 3.68Å; L85-F352 HydrophobicContact CD2-CG 3.91Å; L85-F352 HydrophobicContact CD2-CZ 3.77Å; L85-F352 HydrophobicContact CG-CD2 4.39Å; L85-F352 HydrophobicContact CG-CE1 4.23Å; L85-F352 HydrophobicContact CG-CE2 3.81Å; L85-F352 HydrophobicContact CG-CZ 3.72Å; L85-K355 HydrophobicContact CD2-CB 4.1Å; L85-K355 HydrophobicContact CD2-CD 4.13Å; L85-I363 HydrophobicContact CB-CG2 3.82Å; L85-I363 HydrophobicContact CD1-CG2 4.38Å
86V85.6Confident92.2Very high92 Ų9243.2 Ų43.256%0.55823%0.225SC*.THydrogen-bonded Turntrans-114.1-25.7-173.6-62.80000113P83 I363P83-V86 VanDerWaalsContact O-CG2 3.29Å; P83-V86 WeakPolarHBondContact O-CG2 3.42Å; P83-V86 PolarHBondContact O-N 3.12Å; V86-I363 HydrophobicContact CG1-CG2 4.39Å
87M84.6Confident92.2Very high87 Ų8749.7 Ų49.743%0.42925%0.25SS..SBendtrans-139.2156179.861.9176.862.700112.6P83 L84 F166P83-M87 WeakPolarHBondContact O-CG 3.09Å; P83-M87 PolarHBondContact O-N 3.38Å; L84-M87 WeakPolarHBondContact CA-O 3.15Å; M87-F166 HydrophobicContact SD-CE1 3.52Å; M87-F166 VanDerWaalsContact SD-CE1 3.52Å; M87-F166 HydrophobicContact SD-CZ 4.03Å
88R81.9Confident92.3Very high216 Ų21650.1 Ų50.182%0.81525%0.25SC*.  trans-71.6162.7168.1-65.6-176.3-179.7-177.2-0.6109.7C90R88-C90 PolarHBondContact O-N 3.05Å; R88-C90 VanDerWaalsContact O-N 3.16Å
89S84.8Confident92.3Very high40 Ų4050.9 Ų50.928%0.2825%0.252SS..  trans-57119.8175.7176.50000110.5E91 L92 S93S89-E91 PolarHBondContact O-N 3.2Å; S89-E91 PolarHBondContact OG-N 3.34Å; S89-L92 PolarHBondContact O-N 3.39Å; S89-S93 WeakPolarHBondContact O-CB 3.22Å; S89-S93 PolarHBondContact O-N 3.4Å; S89-S93 PolarHBondContact O-OG 3.06Å
90C88.1Confident92.3Very high38 Ų3855.7 Ų55.726%0.25728%0.278SS..Hα-helixtrans-55.3-36.8175.2-65.50000111.4R88 A94R88-C90 PolarHBondContact O-N 3.05Å; R88-C90 VanDerWaalsContact O-N 3.16Å; C90-A94 WeakPolarHBondContact O-CB 3.35Å; C90-A94 PolarHBondContact O-N 3.08Å
91E91.5Very high92.5Very high32 Ų3260.5 Ų60.515%0.1530%0.298CS..Hα-helixtrans-62.6-55.9-179.5-171.6171.385.700112.4S89 S93 A94 Y95 S168 W169 Y172 F184 I188S89-E91 PolarHBondContact O-N 3.2Å; S89-E91 PolarHBondContact OG-N 3.34Å; E91-S93 PolarHBondContact O-N 2.79Å; E91-A94 PolarHBondContact O-N 2.89Å; E91-Y95 VanDerWaalsContact O-CB 3.26Å; E91-Y95 WeakPolarHBondContact O-CB 3.25Å; E91-Y95 PolarHBondContact O-N 2.95Å; E91-S168 PolarHBondContact OE2-OG 3.12Å; E91-W169 HydrophobicContact CB-CB 3.94Å; E91-W169 HydrophobicContact CG-CB 4.21Å; E91-Y172 HydrophobicContact CG-CD2 4.09Å; E91-Y172 WeakPolarHBondContact OE2-CD2 3.29Å; E91-Y172 VanDerWaalsContact OE2-CE2 3.23Å; E91-Y172 WeakPolarHBondContact OE2-CE2 3.1Å; E91-F184 HydrophobicContact CG-CZ 4.2Å; E91-I188 VanDerWaalsContact OE1-CG1 3.3Å; E91-I188 WeakPolarHBondContact OE1-CG1 3.39Å
92L91.8Very high92.7Very high51 Ų5161 Ų6127%0.26730%0.304SS..Hα-helixtrans-68.5-38.5-179.3-175.960.6000111.8V31 S89 Y95 L96 A185V31-L92 HydrophobicContact CG1-CD1 4.3Å; V31-L92 HydrophobicContact CG1-CD2 3.95Å; S89-L92 PolarHBondContact O-N 3.39Å; L92-Y95 PolarHBondContact O-N 2.9Å; L92-L96 HydrophobicContact CD1-CD1 4.38Å; L92-L96 HydrophobicContact CD1-CG 4.38Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 WeakPolarHBondContact O-CB 3.22Å; L92-L96 VanDerWaalsContact O-CG 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.14Å; L92-L96 PolarHBondContact O-N 3.46Å; L92-A185 HydrophobicContact CD1-CB 4.38Å
93S93.6Very high92.9Very high52 Ų5264.1 Ų64.136%0.36432%0.318SS..Hα-helixtrans-66.3-41.7178-66.20000112.7S89 E91 Y97S89-S93 WeakPolarHBondContact O-CB 3.22Å; S89-S93 PolarHBondContact O-N 3.4Å; S89-S93 PolarHBondContact O-OG 3.06Å; E91-S93 PolarHBondContact O-N 2.79Å; S93-Y97 WeakPolarHBondContact O-CB 3.43Å; S93-Y97 PolarHBondContact O-N 3.3Å; S93-Y97 VanDerWaalsContact O-N 3.09Å
94A95.4Very high93.2Very high23 Ų2370.6 Ų70.619%0.1935%0.351CS..Hα-helixtrans-69.1-38.7175.700000111.6C90 E91 Y97 V98 W169 L173C90-A94 WeakPolarHBondContact O-CB 3.35Å; C90-A94 PolarHBondContact O-N 3.08Å; E91-A94 PolarHBondContact O-N 2.89Å; A94-Y97 PolarHBondContact O-N 3.14Å; A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.24Å; A94-W169 HydrophobicContact CB-CD2 4.42Å; A94-W169 HydrophobicContact CB-CE3 3.73Å; A94-W169 HydrophobicContact CB-CZ3 4.25Å; A94-L173 HydrophobicContact CB-CD2 3.91Å
95Y97.4Very high93.5Very high0 Ų073.3 Ų73.30%037%0.365CS..Hα-helixtrans-61-48.7176.1-165.5-76.8000111.7E91 L92 Y97 V98 W99 M175 A176 V179 P181 F184E91-Y95 VanDerWaalsContact O-CB 3.26Å; E91-Y95 WeakPolarHBondContact O-CB 3.25Å; E91-Y95 PolarHBondContact O-N 2.95Å; L92-Y95 PolarHBondContact O-N 2.9Å; Y95-Y97 VanDerWaalsContact C-N 3.34Å; Y95-Y97 PolarHBondContact O-N 2.96Å; Y95-V98 PolarHBondContact O-N 2.85Å; Y95-W99 WeakPolarHBondContact O-CB 3.46Å; Y95-W99 PolarHBondContact O-N 2.93Å; Y95-M175 HydrophobicContact CE2-CB 4Å; Y95-M175 VanDerWaalsContact OH-C 3.26Å; Y95-M175 PolarHBondContact OH-O 3.02Å; Y95-A176 HydrophobicContact CD1-CB 3.84Å; Y95-A176 HydrophobicContact CD2-CB 3.91Å; Y95-A176 HydrophobicContact CE1-CB 3.65Å; Y95-A176 HydrophobicContact CE2-CB 3.76Å; Y95-A176 HydrophobicContact CG-CB 3.95Å; Y95-A176 VanDerWaalsContact CZ-CA 3.43Å; Y95-A176 WeakPolarHBondContact OH-CA 3.16Å; Y95-A176 PolarHBondContact OH-N 3.4Å; Y95-V179 WeakPolarHBondContact OH-CB 3.35Å; Y95-V179 PolarHBondContact OH-O 2.92Å; Y95-P181 HydrophobicContact CD1-CB 4.16Å; Y95-P181 HydrophobicContact CD1-CG 4.17Å; Y95-P181 HydrophobicContact CE1-CB 4.24Å; Y95-P181 HydrophobicContact CE1-CG 4.11Å; Y95-F184 AromaticContact CD1-CD1 3.97Å; Y95-F184 HydrophobicContact CD1-CD1 3.97Å; Y95-F184 HydrophobicContact CD1-CE1 4.5Å; Y95-F184 HydrophobicContact CD1-CG 4.39Å; Y95-F184 AromaticContact CD2-CD1 3.63Å; Y95-F184 HydrophobicContact CD2-CD1 3.63Å; Y95-F184 HydrophobicContact CD2-CD2 4.07Å; Y95-F184 AromaticContact CD2-CE1 3.57Å; Y95-F184 HydrophobicContact CD2-CE1 3.57Å; Y95-F184 HydrophobicContact CD2-CE2 4.02Å; Y95-F184 AromaticContact CD2-CG 3.9Å; Y95-F184 HydrophobicContact CD2-CG 3.9Å; Y95-F184 AromaticContact CD2-CZ 3.78Å; Y95-F184 HydrophobicContact CD2-CZ 3.78Å; Y95-F184 HydrophobicContact CE1-CB 4.01Å; Y95-F184 HydrophobicContact CE1-CD1 4.12Å; Y95-F184 HydrophobicContact CE1-CG 4.08Å; Y95-F184 HydrophobicContact CE2-CB 4.13Å; Y95-F184 AromaticContact CE2-CD1 3.77Å; Y95-F184 HydrophobicContact CE2-CD1 3.77Å; Y95-F184 AromaticContact CE2-CD2 3.56Å; Y95-F184 HydrophobicContact CE2-CD2 3.56Å; Y95-F184 HydrophobicContact CE2-CE1 4.06Å; Y95-F184 AromaticContact CE2-CE2 3.87Å; Y95-F184 HydrophobicContact CE2-CE2 3.87Å; Y95-F184 AromaticContact CE2-CG 3.52Å; Y95-F184 HydrophobicContact CE2-CG 3.52Å; Y95-F184 HydrophobicContact CE2-CZ 4.11Å; Y95-F184 AromaticContact CG-CD1 3.73Å; Y95-F184 HydrophobicContact CG-CD1 3.73Å; Y95-F184 AromaticContact CG-CE1 3.81Å; Y95-F184 HydrophobicContact CG-CE1 3.81Å; Y95-F184 HydrophobicContact CG-CG 4.31Å; Y95-F184 HydrophobicContact CG-CZ 4.46Å; Y95-F184 AromaticContact CZ-CG 3.62Å
96L97.2Very high93.7Very high52 Ų5278.7 Ų78.727%0.27239%0.39SS..Hα-helixtrans-59.1-44176-76.7167.2000111.8V31 L92 V98 W99 D100 P181V31-L96 HydrophobicContact CG2-CD2 4.3Å; L92-L96 HydrophobicContact CD1-CD1 4.38Å; L92-L96 HydrophobicContact CD1-CG 4.38Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 WeakPolarHBondContact O-CB 3.22Å; L92-L96 VanDerWaalsContact O-CG 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.14Å; L92-L96 PolarHBondContact O-N 3.46Å; L96-V98 VanDerWaalsContact C-N 3.34Å; L96-V98 PolarHBondContact O-N 3.29Å; L96-W99 WeakPolarHBondContact O-CB 3.37Å; L96-W99 PolarHBondContact O-N 3.13Å; L96-D100 WeakPolarHBondContact O-CB 3.49Å; L96-D100 VanDerWaalsContact O-CG 3.24Å; L96-D100 PolarHBondContact O-N 3.48Å; L96-P181 HydrophobicContact CD2-CB 3.58Å; L96-P181 HydrophobicContact CD2-CG 3.72Å; L96-P181 HydrophobicContact CG-CB 4.41Å
97Y97.6Very high94.3Very high136 Ų13676.1 Ų76.153%0.53337%0.373SS..Hα-helixtrans-59.9-43.5176.8-179.6-95.4000112.3S93 A94 Y95 H101 F102S93-Y97 WeakPolarHBondContact O-CB 3.43Å; S93-Y97 PolarHBondContact O-N 3.3Å; S93-Y97 VanDerWaalsContact O-N 3.09Å; A94-Y97 PolarHBondContact O-N 3.14Å; Y95-Y97 VanDerWaalsContact C-N 3.34Å; Y95-Y97 PolarHBondContact O-N 2.96Å; Y97-H101 AromaticContact CD2-CD2 3.46Å; Y97-H101 VanDerWaalsContact CD2-CD2 3.46Å; Y97-H101 WeakPolarHBondContact CD2-CD2 3.19Å; Y97-H101 AromaticContact CD2-NE2 3.74Å; Y97-H101 AromaticContact CE2-CD2 3.31Å; Y97-H101 WeakPolarHBondContact CE2-CD2 3.43Å; Y97-H101 AromaticContact CE2-NE2 3.51Å; Y97-H101 AromaticContact CZ-CD2 3.77Å; Y97-H101 WeakPolarHBondContact O-CB 3.3Å; Y97-H101 PolarHBondContact O-CD2 2.98Å; Y97-H101 PolarHBondContact O-N 3.34Å; Y97-F102 AromaticContact CE1-CE2 3.93Å; Y97-F102 HydrophobicContact CE1-CE2 3.93Å
98V98.3Very high95Very high23 Ų2375.1 Ų75.114%0.13937%0.372CS..Hα-helixtrans-66.9-42.4176.9176.10000111A94 Y95 L96 F102 H103 L173 A176 L177A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.24Å; Y95-V98 PolarHBondContact O-N 2.85Å; L96-V98 VanDerWaalsContact C-N 3.34Å; L96-V98 PolarHBondContact O-N 3.29Å; V98-F102 HydrophobicContact CG1-CB 4.29Å; V98-F102 WeakPolarHBondContact O-CA 3.36Å; V98-F102 WeakPolarHBondContact O-CB 3.39Å; V98-F102 PolarHBondContact O-N 2.98Å; V98-H103 PolarHBondContact O-N 2.94Å; V98-L173 HydrophobicContact CG2-CB 4.48Å; V98-L173 HydrophobicContact CG2-CD1 4.19Å; V98-L173 HydrophobicContact CG2-CD2 4.04Å; V98-L173 HydrophobicContact CG2-CG 4.47Å; V98-A176 HydrophobicContact CB-CB 3.87Å; V98-A176 HydrophobicContact CG1-CB 3.73Å; V98-L177 HydrophobicContact CG1-CD2 4.11Å
99W98.1Very high95.7Very high26 Ų2668.8 Ų68.810%0.09835%0.349CS..Hα-helixtrans-58.3-54.4176.5178.2-97.3000111.6Y95 L96 H101 H103 E106 A176 V179 P180 P181Y95-W99 WeakPolarHBondContact O-CB 3.46Å; Y95-W99 PolarHBondContact O-N 2.93Å; L96-W99 WeakPolarHBondContact O-CB 3.37Å; L96-W99 PolarHBondContact O-N 3.13Å; W99-H101 PolarHBondContact O-N 3.34Å; W99-H101 VanDerWaalsContact O-N 3.15Å; W99-H103 HydrophobicContact CD2-CB 4.23Å; W99-H103 HydrophobicContact CE3-CB 3.89Å; W99-H103 HydrophobicContact CZ3-CB 4.1Å; W99-H103 WeakPolarHBondContact O-CB 3.09Å; W99-H103 PolarHBondContact O-N 3.45Å; W99-H103 PolarHBondContact O-ND1 3.19Å; W99-E106 HydrophobicContact CH2-CB 4.29Å; W99-E106 HydrophobicContact CH2-CG 3.93Å; W99-E106 HydrophobicContact CZ2-CG 3.94Å; W99-A176 HydrophobicContact CB-CB 4.48Å; W99-A176 VanDerWaalsContact CE3-O 3.23Å; W99-V179 VanDerWaalsContact CE3-O 3.3Å; W99-V179 WeakPolarHBondContact CZ3-O 3.4Å; W99-P180 HydrophobicContact CH2-CB 4.3Å; W99-P180 HydrophobicContact CH2-CG 4.02Å; W99-P180 HydrophobicContact CZ2-CB 4.38Å; W99-P180 HydrophobicContact CZ2-CG 4.43Å; W99-P181 HydrophobicContact CB-CG 3.86Å; W99-P181 VanDerWaalsContact CD2-CD 3.47Å; W99-P181 HydrophobicContact CD2-CG 3.84Å; W99-P181 VanDerWaalsContact CE2-CD 3.47Å; W99-P181 HydrophobicContact CG-CG 3.44Å; W99-P181 VanDerWaalsContact CG-CG 3.44Å
100D97.7Very high96.3Very high104 Ų10471.8 Ų71.856%0.55636%0.362SS*.Hα-helixtrans-64.9-24.2-173.7-67.8-19.9000113.6L96L96-D100 WeakPolarHBondContact O-CB 3.49Å; L96-D100 VanDerWaalsContact O-CG 3.24Å; L96-D100 PolarHBondContact O-N 3.48Å
101H98.1Very high96.7Very high118 Ų11871.4 Ų71.455%0.54636%0.359SS..Hα-helixtrans-114.8-23.3-173-65.5-57.3000115.3Y97 W99Y97-H101 AromaticContact CD2-CD2 3.46Å; Y97-H101 VanDerWaalsContact CD2-CD2 3.46Å; Y97-H101 WeakPolarHBondContact CD2-CD2 3.19Å; Y97-H101 AromaticContact CD2-NE2 3.74Å; Y97-H101 AromaticContact CE2-CD2 3.31Å; Y97-H101 WeakPolarHBondContact CE2-CD2 3.43Å; Y97-H101 AromaticContact CE2-NE2 3.51Å; Y97-H101 AromaticContact CZ-CD2 3.77Å; Y97-H101 WeakPolarHBondContact O-CB 3.3Å; Y97-H101 PolarHBondContact O-CD2 2.98Å; Y97-H101 PolarHBondContact O-N 3.34Å; W99-H101 PolarHBondContact O-N 3.34Å; W99-H101 VanDerWaalsContact O-N 3.15Å
102F98.2Very high97Very high115 Ų11572 Ų7250%0.50437%0.37SS..Hα-helixtrans-136.73.5-167.3-55.5-79.7000114.7Y97 V98 L104 L177Y97-F102 AromaticContact CE1-CE2 3.93Å; Y97-F102 HydrophobicContact CE1-CE2 3.93Å; V98-F102 HydrophobicContact CG1-CB 4.29Å; V98-F102 WeakPolarHBondContact O-CA 3.36Å; V98-F102 WeakPolarHBondContact O-CB 3.39Å; V98-F102 PolarHBondContact O-N 2.98Å; F102-L104 PolarHBondContact O-N 3.42Å; F102-L177 HydrophobicContact CB-CD2 4.29Å; F102-L177 VanDerWaalsContact O-CD2 3.28Å; F102-L177 WeakPolarHBondContact O-CD2 3.42Å
103H97.6Very high97.3Very high75 Ų7579.2 Ų79.235%0.34739%0.394SS..  trans-58.6137.8176.574.8-87.8000111.1V98 W99V98-H103 PolarHBondContact O-N 2.94Å; W99-H103 HydrophobicContact CD2-CB 4.23Å; W99-H103 HydrophobicContact CE3-CB 3.89Å; W99-H103 HydrophobicContact CZ3-CB 4.1Å; W99-H103 WeakPolarHBondContact O-CB 3.09Å; W99-H103 PolarHBondContact O-N 3.45Å; W99-H103 PolarHBondContact O-ND1 3.19Å
104L97.6Very high97.5Very high150 Ų15076.9 Ų76.979%0.78538%0.377SS*.SBendtrans-102.6-29.2-178.4-60178.9000111.4F102 L177F102-L104 PolarHBondContact O-N 3.42Å; L104-L177 HydrophobicContact CD1-CD1 4.44Å; L104-L177 HydrophobicContact CG-CB 4.49Å; L104-L177 PolarHBondContact N-O 3.11Å
105L97Very high97.6Very high97 Ų9775.8 Ų75.851%0.50837%0.368SS..  trans-136.5145.9178.6177.363.8000108.2L107 L177 A178L105-L107 HydrophobicContact CD2-CD2 3.74Å; L105-L107 HydrophobicContact CD2-CG 4.18Å; L105-L107 HydrophobicContact CG-CD2 4.32Å; L105-L107 HydrophobicContact CG-CG 4.47Å; L105-L177 PolarHBondContact N-O 3.31Å; L105-L177 VanDerWaalsContact N-O 3.07Å; L105-A178 HydrophobicContact CB-CB 4.3Å; L105-A178 WeakPolarHBondContact O-CA 3.26Å
106E96.5Very high97.6Very high126 Ų12681.5 Ų81.559%0.58939%0.39SS*.  trans-112.4100.7169.8-175.5171174.200108.6W99W99-E106 HydrophobicContact CH2-CB 4.29Å; W99-E106 HydrophobicContact CH2-CG 3.93Å; W99-E106 HydrophobicContact CZ2-CG 3.94Å
107L97.8Very high97.7Very high38 Ų3883.5 Ų83.520%0.19940%0.4CS..  trans-70.5138.4172-67.9175.3000109.6L105 W109 T114 A178 V179 P180L105-L107 HydrophobicContact CD2-CD2 3.74Å; L105-L107 HydrophobicContact CD2-CG 4.18Å; L105-L107 HydrophobicContact CG-CD2 4.32Å; L105-L107 HydrophobicContact CG-CG 4.47Å; L107-W109 PolarHBondContact O-N 3.02Å; L107-T114 HydrophobicContact CB-CG2 3.64Å; L107-T114 HydrophobicContact CD1-CG2 4.26Å; L107-A178 WeakPolarHBondContact CB-O 3.41Å; L107-A178 HydrophobicContact CD1-CB 4.34Å; L107-A178 VanDerWaalsContact CG-O 3.31Å; L107-A178 WeakPolarHBondContact CG-O 3.41Å; L107-A178 PolarHBondContact N-O 3.05Å; L107-V179 HydrophobicContact CD1-CG2 4.13Å; L107-P180 WeakPolarHBondContact O-CD 3.3Å; L107-P180 WeakPolarHBondContact O-CG 3.42Å
108P97.8Very high97.7Very high65 Ų6577 Ų7742%0.42238%0.375SS..  trans-63.1125.2-179.421.4-30.4000111.1D110 S111 T114P108-D110 PolarHBondContact O-N 3.45Å; P108-S111 WeakPolarHBondContact O-CB 3.1Å; P108-S111 PolarHBondContact O-N 3.4Å; P108-T114 WeakPolarHBondContact O-CB 3.31Å; P108-T114 WeakPolarHBondContact O-CG2 3.14Å; P108-T114 PolarHBondContact O-OG1 2.98Å
109W97.5Very high97.7Very high84 Ų8476.8 Ų76.832%0.31837%0.372SS..THydrogen-bonded Turntrans-65.6-26.5-17663.5-97.8000113.1S27 E29 L107 P180 V183S27-W109 WeakPolarHBondContact CB-O 3.23Å; E29-W109 HydrophobicContact CB-CD2 4.02Å; E29-W109 HydrophobicContact CB-CE3 4.45Å; E29-W109 HydrophobicContact CB-CH2 4.26Å; E29-W109 HydrophobicContact CB-CZ2 3.79Å; E29-W109 HydrophobicContact CG-CZ2 4.26Å; L107-W109 PolarHBondContact O-N 3.02Å; W109-P180 HydrophobicContact CB-CB 4.28Å; W109-P180 HydrophobicContact CB-CG 4.19Å; W109-V183 HydrophobicContact CB-CG2 4.13Å
110D96.4Very high97.8Very high103 Ų10378.9 Ų78.955%0.55139%0.385SS*.THydrogen-bonded Turntrans-91.83-178.365.2-21.8000113.4P108P108-D110 PolarHBondContact O-N 3.45Å
111S97.6Very high97.8Very high29 Ų2974.7 Ų74.720%0.20337%0.367CS..  trans-87.3128.8179.5173.30000112.4P108 W113 T114 W115P108-S111 WeakPolarHBondContact O-CB 3.1Å; P108-S111 PolarHBondContact O-N 3.4Å; S111-W113 PolarHBondContact O-N 2.6Å; S111-W113 PolarHBondContact OG-N 3.22Å; S111-T114 WeakPolarHBondContact CB-OG1 3.24Å; S111-T114 WeakPolarHBondContact O-CB 3.48Å; S111-T114 PolarHBondContact O-N 3.45Å; S111-T114 VanDerWaalsContact O-N 3.12Å; S111-W115 PolarHBondContact O-N 2.86Å
112A97.3Very high97.8Very high46 Ų4669.1 Ų69.138%0.3834%0.341SS..Hα-helixtrans-57.6-30171.700000112.8P23 W115 W116P23-A112 HydrophobicContact CB-CB 4.14Å; P23-A112 HydrophobicContact CG-CB 4.01Å; A112-W115 WeakPolarHBondContact O-CB 3.19Å; A112-W115 PolarHBondContact O-N 3.18Å; A112-W116 PolarHBondContact O-N 2.96Å
113W97.6Very high97.8Very high201 Ų20163.7 Ų63.776%0.76132%0.317SS*.Hα-helixtrans-69.7-45.3175.6-71.6111.4000111.9S111 W115 W116 L117S111-W113 PolarHBondContact O-N 2.6Å; S111-W113 PolarHBondContact OG-N 3.22Å; W113-W115 PolarHBondContact O-N 3.4Å; W113-W116 PolarHBondContact O-N 2.83Å; W113-L117 VanDerWaalsContact O-CB 3.31Å; W113-L117 WeakPolarHBondContact O-CB 3.42Å; W113-L117 VanDerWaalsContact O-CG 3.23Å; W113-L117 WeakPolarHBondContact O-CG 3.32Å; W113-L117 PolarHBondContact O-N 2.9Å
114T98.3Very high97.9Very high3 Ų362.6 Ų62.62%0.01831%0.314CS..Hα-helixtrans-56.9-41.9173.9-54.50000110.3L107 P108 S111 T118 V183L107-T114 HydrophobicContact CB-CG2 3.64Å; L107-T114 HydrophobicContact CD1-CG2 4.26Å; P108-T114 WeakPolarHBondContact O-CB 3.31Å; P108-T114 WeakPolarHBondContact O-CG2 3.14Å; P108-T114 PolarHBondContact O-OG1 2.98Å; S111-T114 WeakPolarHBondContact CB-OG1 3.24Å; S111-T114 WeakPolarHBondContact O-CB 3.48Å; S111-T114 PolarHBondContact O-N 3.45Å; S111-T114 VanDerWaalsContact O-N 3.12Å; T114-T118 VanDerWaalsContact O-CB 3.28Å; T114-T118 WeakPolarHBondContact O-CB 3.13Å; T114-T118 PolarHBondContact O-N 3.36Å; T114-T118 PolarHBondContact O-OG1 3.04Å; T114-V183 HydrophobicContact CG2-CG2 4.5Å
115W98.3Very high97.9Very high1 Ų156.4 Ų56.40%0.00428%0.282CS..Hα-helixtrans-59.8-55.7177.8-163.898.3000112.1F19 L21 P23 S26 S111 A112 W113 L117 T118 F119 H187 L190F19-W115 HydrophobicContact CD1-CH2 4.13Å; F19-W115 AromaticContact CE1-CH2 3.21Å; F19-W115 HydrophobicContact CE1-CH2 3.21Å; F19-W115 HydrophobicContact CE1-CZ2 4.22Å; F19-W115 AromaticContact CE1-CZ3 3.56Å; F19-W115 HydrophobicContact CE1-CZ3 3.56Å; F19-W115 AromaticContact CZ-CH2 3.45Å; F19-W115 HydrophobicContact CZ-CH2 3.45Å; F19-W115 VanDerWaalsContact CZ-CH2 3.45Å; F19-W115 HydrophobicContact CZ-CZ2 4.09Å; F19-W115 AromaticContact CZ-CZ3 3.89Å; F19-W115 HydrophobicContact CZ-CZ3 3.89Å; L21-W115 WeakPolarHBondContact O-CH2 3.47Å; P23-W115 HydrophobicContact CB-CB 4.04Å; P23-W115 HydrophobicContact CB-CD2 4.3Å; P23-W115 HydrophobicContact CB-CG 3.89Å; P23-W115 HydrophobicContact CG-CB 4.08Å; P23-W115 HydrophobicContact CG-CD2 3.85Å; P23-W115 HydrophobicContact CG-CE3 4Å; P23-W115 HydrophobicContact CG-CG 3.88Å; S26-W115 PolarHBondContact OG-NE1 2.9Å; S111-W115 PolarHBondContact O-N 2.86Å; A112-W115 WeakPolarHBondContact O-CB 3.19Å; A112-W115 PolarHBondContact O-N 3.18Å; W113-W115 PolarHBondContact O-N 3.4Å; W115-L117 PolarHBondContact O-N 3.48Å; W115-T118 WeakPolarHBondContact O-CB 3.44Å; W115-T118 PolarHBondContact O-N 3.17Å; W115-T118 VanDerWaalsContact O-N 3.16Å; W115-F119 PolarHBondContact O-N 3.17Å; W115-H187 AromaticContact CD1-CE1 3.55Å; W115-H187 AromaticContact CD2-CE1 3.59Å; W115-H187 AromaticContact CD2-NE2 3.41Å; W115-H187 AromaticContact CE2-CE1 3.56Å; W115-H187 AromaticContact CE2-NE2 3.41Å; W115-H187 AromaticContact CE3-NE2 3.73Å; W115-H187 AromaticContact CG-CE1 3.61Å; W115-H187 AromaticContact CG-NE2 3.93Å; W115-H187 AromaticContact CZ2-NE2 3.77Å; W115-H187 AromaticContact NE1-CE1 3.51Å; W115-H187 AromaticContact NE1-NE2 3.86Å; W115-H187 PolarHBondContact O-CE1 3.46Å; W115-H187 VanDerWaalsContact O-CE1 3.3Å; W115-H187 PolarHBondContact O-NE2 3.24Å; W115-L190 HydrophobicContact CZ2-CD1 4.27Å
116W98.1Very high98Very high119 Ų11953.3 Ų53.345%0.45126%0.264SS..Hα-helixtrans-66.9-35-179.7-73.9116.1000113.8F19 A112 W113 T118 F119 L120F19-W116 HydrophobicContact CE1-CZ3 4.03Å; A112-W116 PolarHBondContact O-N 2.96Å; W113-W116 PolarHBondContact O-N 2.83Å; W116-T118 VanDerWaalsContact C-N 3.32Å; W116-F119 HydrophobicContact CE3-CB 4.44Å; W116-F119 AromaticContact CE3-CD1 3.85Å; W116-F119 HydrophobicContact CE3-CD1 3.85Å; W116-F119 HydrophobicContact CE3-CG 4.35Å; W116-F119 HydrophobicContact CZ3-CD1 4.13Å; W116-F119 HydrophobicContact CZ3-CE1 4.45Å; W116-F119 WeakPolarHBondContact O-CB 3.3Å; W116-F119 PolarHBondContact O-N 3.31Å; W116-L120 WeakPolarHBondContact O-CG 3.24Å; W116-L120 PolarHBondContact O-N 3.15Å; W116-L120 VanDerWaalsContact O-N 3.08Å
117L98.1Very high98.1Very high94 Ų9447.3 Ų47.349%0.49224%0.236SC..Hα-helixtrans-65.8-38.1173.3-71.5172.6000111.2W113 W115 L120 G121W113-L117 VanDerWaalsContact O-CB 3.31Å; W113-L117 WeakPolarHBondContact O-CB 3.42Å; W113-L117 VanDerWaalsContact O-CG 3.23Å; W113-L117 WeakPolarHBondContact O-CG 3.32Å; W113-L117 PolarHBondContact O-N 2.9Å; W115-L117 PolarHBondContact O-N 3.48Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-G121 PolarHBondContact O-N 3.43Å
118T98.6Very high98.1Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-66.9-41.2175.6-56.20000111.2T114 W115 W116 G121 V122 M175 V179 V183 H187T114-T118 VanDerWaalsContact O-CB 3.28Å; T114-T118 WeakPolarHBondContact O-CB 3.13Å; T114-T118 PolarHBondContact O-N 3.36Å; T114-T118 PolarHBondContact O-OG1 3.04Å; W115-T118 WeakPolarHBondContact O-CB 3.44Å; W115-T118 PolarHBondContact O-N 3.17Å; W115-T118 VanDerWaalsContact O-N 3.16Å; W116-T118 VanDerWaalsContact C-N 3.32Å; T118-G121 PolarHBondContact O-N 2.86Å; T118-V122 HydrophobicContact CG2-CG2 4.01Å; T118-V122 WeakPolarHBondContact O-CB 3.44Å; T118-V122 WeakPolarHBondContact O-CG2 3.4Å; T118-V122 PolarHBondContact O-N 3.38Å; T118-M175 HydrophobicContact CG2-CE 4.05Å; T118-V179 HydrophobicContact CG2-CG1 3.7Å; T118-V179 VanDerWaalsContact OG1-CG1 3.23Å; T118-V179 WeakPolarHBondContact OG1-CG1 3.48Å; T118-V183 HydrophobicContact CG2-CG1 3.96Å; T118-V183 WeakPolarHBondContact OG1-CG1 3.27Å; T118-H187 HydrophobicContact CG2-CB 3.93Å
119F98.4Very high98.2Very high19 Ų1946.7 Ų46.78%0.08322%0.223CC..Hα-helixtrans-53.1-54.9171.2162.9-111.4000112.2F19 W115 W116 G121 V122 D123 H187 I237 L238F19-F119 HydrophobicContact CD1-CD2 4.29Å; F19-F119 HydrophobicContact CD1-CE2 4.19Å; F19-F119 HydrophobicContact CD2-CD2 4.23Å; F19-F119 HydrophobicContact CD2-CE2 4.25Å; F19-F119 HydrophobicContact CE1-CB 4.39Å; F19-F119 AromaticContact CE1-CD2 3.52Å; F19-F119 HydrophobicContact CE1-CD2 3.52Å; F19-F119 AromaticContact CE1-CE2 3.85Å; F19-F119 HydrophobicContact CE1-CE2 3.85Å; F19-F119 AromaticContact CE1-CG 3.91Å; F19-F119 HydrophobicContact CE1-CG 3.91Å; F19-F119 AromaticContact CE2-CD2 3.48Å; F19-F119 HydrophobicContact CE2-CD2 3.48Å; F19-F119 VanDerWaalsContact CE2-CD2 3.48Å; F19-F119 AromaticContact CE2-CE2 3.95Å; F19-F119 HydrophobicContact CE2-CE2 3.95Å; F19-F119 HydrophobicContact CE2-CG 4.41Å; F19-F119 HydrophobicContact CG-CE2 4.42Å; F19-F119 HydrophobicContact CZ-CB 3.85Å; F19-F119 AromaticContact CZ-CD2 3.1Å; F19-F119 HydrophobicContact CZ-CD2 3.1Å; F19-F119 AromaticContact CZ-CE2 3.79Å; F19-F119 HydrophobicContact CZ-CE2 3.79Å; F19-F119 AromaticContact CZ-CG 3.64Å; F19-F119 HydrophobicContact CZ-CG 3.64Å; W115-F119 PolarHBondContact O-N 3.17Å; W116-F119 HydrophobicContact CE3-CB 4.44Å; W116-F119 AromaticContact CE3-CD1 3.85Å; W116-F119 HydrophobicContact CE3-CD1 3.85Å; W116-F119 HydrophobicContact CE3-CG 4.35Å; W116-F119 HydrophobicContact CZ3-CD1 4.13Å; W116-F119 HydrophobicContact CZ3-CE1 4.45Å; W116-F119 WeakPolarHBondContact O-CB 3.3Å; W116-F119 PolarHBondContact O-N 3.31Å; F119-G121 VanDerWaalsContact C-N 3.33Å; F119-G121 PolarHBondContact O-N 2.91Å; F119-V122 PolarHBondContact O-N 3.12Å; F119-D123 WeakPolarHBondContact O-CB 3.48Å; F119-D123 PolarHBondContact O-N 3.29Å; F119-H187 WeakPolarHBondContact CA-CD2 3.32Å; F119-H187 PolarHBondContact N-CD2 2.57Å; F119-I237 HydrophobicContact CD2-CD1 4.35Å; F119-I237 HydrophobicContact CE2-CB 4.29Å; F119-I237 HydrophobicContact CE2-CD1 3.73Å; F119-I237 HydrophobicContact CE2-CG2 4.04Å; F119-I237 HydrophobicContact CZ-CG2 4.18Å; F119-L238 HydrophobicContact CE1-CD1 3.93Å; F119-L238 HydrophobicContact CZ-CD1 3.84Å; F119-L238 HydrophobicContact CZ-CD2 4.08Å; F119-L238 HydrophobicContact CZ-CG 4Å
120L98.6Very high98.2Very high69 Ų6942.8 Ų42.836%0.36121%0.209SC..Hα-helixtrans-62.9-41.2-179.9-68.7173.7000111.7W116 L117 L124 L238 W241W116-L120 WeakPolarHBondContact O-CG 3.24Å; W116-L120 PolarHBondContact O-N 3.15Å; W116-L120 VanDerWaalsContact O-N 3.08Å; L117-L120 PolarHBondContact O-N 3.26Å; L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 PolarHBondContact O-N 3.26Å; L120-L238 HydrophobicContact CD2-CD1 3.89Å; L120-W241 HydrophobicContact CD2-CZ2 4.49Å
121G98.6Very high98.3Very high17 Ų1740.1 Ų40.118%0.17519%0.191CC..Hα-helixtrans-64.8-48.6179.100000112.6L117 T118 F119 D123 L124 C125L117-G121 PolarHBondContact O-N 3.43Å; T118-G121 PolarHBondContact O-N 2.86Å; F119-G121 VanDerWaalsContact C-N 3.33Å; F119-G121 PolarHBondContact O-N 2.91Å; G121-D123 VanDerWaalsContact C-N 3.35Å; G121-D123 PolarHBondContact O-N 3.21Å; G121-L124 PolarHBondContact O-N 2.76Å; G121-C125 WeakPolarHBondContact O-CB 3.2Å; G121-C125 PolarHBondContact O-N 2.91Å; G121-C125 PolarHBondContact O-SG 3.23Å; G121-C125 VanDerWaalsContact O-SG 3.34Å
122V98.5Very high98.3Very high1 Ų142.2 Ų42.21%0.00620%0.197CC..Hα-helixtrans-62.4-43.8178.2168.40000110.5T118 F119 C125 Y126 Y172 M175 F184 H187 I188 N191T118-V122 HydrophobicContact CG2-CG2 4.01Å; T118-V122 WeakPolarHBondContact O-CB 3.44Å; T118-V122 WeakPolarHBondContact O-CG2 3.4Å; T118-V122 PolarHBondContact O-N 3.38Å; F119-V122 PolarHBondContact O-N 3.12Å; V122-C125 PolarHBondContact O-N 2.85Å; V122-Y126 WeakPolarHBondContact O-CB 3.5Å; V122-Y126 PolarHBondContact O-N 3.3Å; V122-Y172 HydrophobicContact CG1-CE1 4.27Å; V122-M175 HydrophobicContact CG2-CE 3.93Å; V122-M175 HydrophobicContact CG2-SD 4Å; V122-F184 HydrophobicContact CG2-CD2 3.84Å; V122-F184 HydrophobicContact CG2-CE2 4.12Å; V122-H187 HydrophobicContact CB-CB 4.16Å; V122-H187 HydrophobicContact CG1-CB 4.38Å; V122-H187 HydrophobicContact CG2-CB 3.81Å; V122-I188 HydrophobicContact CG1-CD1 4.05Å; V122-N191 HydrophobicContact CG1-CB 4.06Å
123D98.7Very high98.4Very high0 Ų040.1 Ų40.10%018%0.179CC..Hα-helixtrans-67.5-37.1179.6-163.761000112.7F119 G121 Y126 Y127 N191 I237 L238 W241F119-D123 WeakPolarHBondContact O-CB 3.48Å; F119-D123 PolarHBondContact O-N 3.29Å; G121-D123 VanDerWaalsContact C-N 3.35Å; G121-D123 PolarHBondContact O-N 3.21Å; D123-Y126 PolarHBondContact O-N 3.41Å; D123-Y127 PolarHBondContact O-N 3Å; D123-N191 PolarHBondContact OD1-ND2 3.43Å; D123-I237 WeakPolarHBondContact OD1-CB 3.27Å; D123-I237 PolarHBondContact OD1-N 3.45Å; D123-L238 VanDerWaalsContact OD2-CB 3.23Å; D123-L238 WeakPolarHBondContact OD2-CB 3.23Å; D123-L238 WeakPolarHBondContact OD2-CG 3.39Å; D123-L238 PolarHBondContact OD2-N 3.2Å; D123-W241 PolarHBondContact OD2-NE1 3.28Å
124L98.8Very high98.4Very high53 Ų5331.1 Ų31.128%0.27715%0.146SC..Hα-helixtrans-65.7-44.7172.3176.760.9000112L120 G121 Y126 Y127 W128 W241 F245L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 PolarHBondContact O-N 3.26Å; G121-L124 PolarHBondContact O-N 2.76Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 2.99Å; L124-Y127 WeakPolarHBondContact O-CB 3.39Å; L124-Y127 PolarHBondContact O-N 3.15Å; L124-W128 VanDerWaalsContact O-CD1 3.22Å; L124-W128 PolarHBondContact O-N 2.56Å; L124-W241 HydrophobicContact CB-CD2 4.5Å; L124-W241 HydrophobicContact CB-CH2 4.11Å; L124-W241 HydrophobicContact CB-CZ2 3.83Å; L124-W241 HydrophobicContact CD1-CD2 3.91Å; L124-W241 HydrophobicContact CD1-CE3 3.69Å; L124-W241 HydrophobicContact CD1-CH2 4.29Å; L124-W241 HydrophobicContact CD1-CZ2 4.5Å; L124-W241 HydrophobicContact CD1-CZ3 3.9Å; L124-W241 HydrophobicContact CD2-CH2 4.45Å; L124-F245 HydrophobicContact CD1-CE2 3.84Å; L124-F245 HydrophobicContact CD1-CZ 4.22Å
125C98.6Very high98.4Very high19 Ų1931.5 Ų31.513%0.12815%0.147CC..Hα-helixtrans-60.3-41.7174.4-75.50000110.7G121 V122 Y127 W128 V129 F171 Y172G121-C125 WeakPolarHBondContact O-CB 3.2Å; G121-C125 PolarHBondContact O-N 2.91Å; G121-C125 PolarHBondContact O-SG 3.23Å; G121-C125 VanDerWaalsContact O-SG 3.34Å; V122-C125 PolarHBondContact O-N 2.85Å; C125-Y127 PolarHBondContact O-N 3.39Å; C125-W128 PolarHBondContact O-N 3Å; C125-W128 VanDerWaalsContact O-N 3.16Å; C125-V129 WeakPolarHBondContact O-CG2 3.48Å; C125-V129 PolarHBondContact O-N 2.86Å; C125-F171 PolarHBondContact SG-O 3.02Å; C125-Y172 HydrophobicContact CB-CD1 3.36Å; C125-Y172 HydrophobicContact CB-CE1 3.38Å; C125-Y172 HydrophobicContact CB-CG 4.34Å
126Y98.3Very high98.3Very high32 Ų3232.2 Ų32.213%0.12515%0.152CC..Hα-helixtrans-60.2-45.1174.8-177.6-93.9000111.9V122 D123 L124 W128 V129 H130 Q195V122-Y126 WeakPolarHBondContact O-CB 3.5Å; V122-Y126 PolarHBondContact O-N 3.3Å; D123-Y126 PolarHBondContact O-N 3.41Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 2.99Å; Y126-W128 PolarHBondContact O-N 2.8Å; Y126-V129 WeakPolarHBondContact O-CB 3.03Å; Y126-V129 PolarHBondContact O-N 3.06Å; Y126-V129 VanDerWaalsContact O-N 3.14Å; Y126-H130 HydrophobicContact CD1-CB 4.41Å; Y126-H130 HydrophobicContact CE1-CB 3.92Å; Y126-H130 AromaticContact CE1-ND1 3.7Å; Y126-H130 VanDerWaalsContact O-CB 3.3Å; Y126-H130 WeakPolarHBondContact O-CB 3.41Å; Y126-H130 PolarHBondContact O-N 3.4Å; Y126-Q195 VanDerWaalsContact CE1-NE2 3.34Å; Y126-Q195 VanDerWaalsContact CE1-OE1 3.24Å; Y126-Q195 VanDerWaalsContact CE2-NE2 3.28Å; Y126-Q195 VanDerWaalsContact CZ-CD 3.47Å; Y126-Q195 PolarHBondContact OH-OE1 3.44Å
127Y98.8Very high98.3Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-51.8-43.7174.3169.8-90.2000111.5D123 L124 C125 H130 R131 Y234 W241 F245 T247D123-Y127 PolarHBondContact O-N 3Å; L124-Y127 WeakPolarHBondContact O-CB 3.39Å; L124-Y127 PolarHBondContact O-N 3.15Å; C125-Y127 PolarHBondContact O-N 3.39Å; Y127-H130 PolarHBondContact O-N 3.06Å; Y127-R131 VanDerWaalsContact O-CB 3.22Å; Y127-R131 WeakPolarHBondContact O-CB 3.25Å; Y127-R131 PolarHBondContact O-N 3.18Å; Y127-R131 PolarHBondContact OH-NH1 3.19Å; Y127-R131 VanDerWaalsContact OH-NH1 3.15Å; Y127-Y234 HydrophobicContact CE2-CD2 4.07Å; Y127-Y234 HydrophobicContact CE2-CG 4.44Å; Y127-W241 HydrophobicContact CD1-CB 4.28Å; Y127-W241 HydrophobicContact CD2-CB 3.44Å; Y127-W241 VanDerWaalsContact CD2-CB 3.44Å; Y127-W241 HydrophobicContact CD2-CG 4.42Å; Y127-W241 HydrophobicContact CE2-CB 3.96Å; Y127-W241 HydrophobicContact CG-CB 3.64Å; Y127-W241 HydrophobicContact CG-CG 4.29Å; Y127-F245 AromaticContact CD1-CD2 3.85Å; Y127-F245 HydrophobicContact CD1-CD2 3.85Å; Y127-F245 HydrophobicContact CD1-CE2 4.04Å; Y127-F245 HydrophobicContact CE1-CB 4.13Å; Y127-F245 AromaticContact CE1-CD2 3.27Å; Y127-F245 HydrophobicContact CE1-CD2 3.27Å; Y127-F245 AromaticContact CE1-CE2 3.88Å; Y127-F245 HydrophobicContact CE1-CE2 3.88Å; Y127-F245 AromaticContact CE1-CG 3.89Å; Y127-F245 HydrophobicContact CE1-CG 3.89Å; Y127-F245 HydrophobicContact CE2-CD2 4.38Å; Y127-F245 AromaticContact CZ-CD2 3.61Å; Y127-F245 WeakPolarHBondContact OH-CB 3.31Å; Y127-T247 PolarHBondContact OH-OG1 2.82Å
128W98.6Very high98.3Very high83 Ų8324.8 Ų24.831%0.31412%0.121SC..Hα-helixtrans-71.3-41.6177.8-72.7111.1000113.5L124 C125 Y126 H130 F132 F171 F245L124-W128 VanDerWaalsContact O-CD1 3.22Å; L124-W128 PolarHBondContact O-N 2.56Å; C125-W128 PolarHBondContact O-N 3Å; C125-W128 VanDerWaalsContact O-N 3.16Å; Y126-W128 PolarHBondContact O-N 2.8Å; W128-H130 PolarHBondContact O-N 3.26Å; W128-F132 HydrophobicContact CE3-CD2 4.07Å; W128-F132 AromaticContact CE3-CE2 3.7Å; W128-F132 HydrophobicContact CE3-CE2 3.7Å; W128-F132 HydrophobicContact CZ3-CE2 4.09Å; W128-F132 WeakPolarHBondContact O-CB 2.93Å; W128-F132 VanDerWaalsContact O-CD2 3.3Å; W128-F132 WeakPolarHBondContact O-CD2 3.37Å; W128-F132 PolarHBondContact O-N 3.02Å; W128-F171 HydrophobicContact CB-CD1 3.92Å; W128-F171 HydrophobicContact CB-CE1 4.28Å; W128-F245 HydrophobicContact CH2-CE1 4.45Å; W128-F245 HydrophobicContact CZ2-CD1 4.25Å; W128-F245 AromaticContact CZ2-CE1 3.81Å; W128-F245 HydrophobicContact CZ2-CE1 3.81Å; W128-F245 HydrophobicContact CZ2-CE2 4.23Å; W128-F245 AromaticContact CZ2-CZ 3.8Å; W128-F245 HydrophobicContact CZ2-CZ 3.8Å
129V98.1Very high98.3Very high7 Ų726.2 Ų26.24%0.04213%0.129CC..Hα-helixtrans-52.6-50.4171.4171.50000109.4C125 Y126 F132 A133 F171 Y172C125-V129 WeakPolarHBondContact O-CG2 3.48Å; C125-V129 PolarHBondContact O-N 2.86Å; Y126-V129 WeakPolarHBondContact O-CB 3.03Å; Y126-V129 PolarHBondContact O-N 3.06Å; Y126-V129 VanDerWaalsContact O-N 3.14Å; V129-F132 PolarHBondContact O-N 3.23Å; V129-A133 VanDerWaalsContact O-CB 3.3Å; V129-A133 WeakPolarHBondContact O-CB 3.27Å; V129-A133 PolarHBondContact O-N 3.45Å; V129-F171 HydrophobicContact CB-CD2 4.41Å; V129-F171 HydrophobicContact CG2-CB 3.44Å; V129-F171 VanDerWaalsContact CG2-CB 3.44Å; V129-F171 HydrophobicContact CG2-CD1 4.49Å; V129-F171 HydrophobicContact CG2-CD2 3.63Å; V129-F171 HydrophobicContact CG2-CG 3.61Å; V129-Y172 HydrophobicContact CG2-CE2 3.99Å
130H98.4Very high98.3Very high2 Ų227 Ų271%0.00913%0.131CC..Hα-helixtrans-71.1-44-172.5-162.7-168.3000112Y126 Y127 W128 F132 A133 H134 H143 H222 Y234Y126-H130 HydrophobicContact CD1-CB 4.41Å; Y126-H130 HydrophobicContact CE1-CB 3.92Å; Y126-H130 AromaticContact CE1-ND1 3.7Å; Y126-H130 VanDerWaalsContact O-CB 3.3Å; Y126-H130 WeakPolarHBondContact O-CB 3.41Å; Y126-H130 PolarHBondContact O-N 3.4Å; Y127-H130 PolarHBondContact O-N 3.06Å; W128-H130 PolarHBondContact O-N 3.26Å; H130-F132 PolarHBondContact O-N 2.97Å; H130-A133 WeakPolarHBondContact O-CB 3.19Å; H130-A133 PolarHBondContact O-N 3.42Å; H130-A133 VanDerWaalsContact O-N 3.15Å; H130-H134 AromaticContact CD2-CD2 3.77Å; H130-H134 AromaticContact CD2-NE2 3.84Å; H130-H134 AromaticContact NE2-CD2 3.99Å; H130-H134 AromaticContact NE2-NE2 3.58Å; H130-H134 PolarHBondContact O-CD2 3.31Å; H130-H134 PolarHBondContact O-N 3.21Å; H130-H143 AromaticContact CD2-CE1 3.65Å; H130-H143 AromaticContact CD2-NE2 3.46Å; H130-H143 PolarHBondContact CD2-NE2 3.26Å; H130-H143 AromaticContact NE2-CE1 3.51Å; H130-H143 AromaticContact NE2-NE2 3.15Å; H130-H143 PolarHBondContact NE2-NE2 3.26Å; H130-H143 VanDerWaalsContact NE2-NE2 3.15Å; H130-H222 AromaticContact CE1-CD2 3.7Å; H130-H222 AromaticContact CE1-CE1 3.26Å; H130-H222 PolarHBondContact CE1-CE1 3.44Å; H130-H222 AromaticContact CE1-NE2 3Å; H130-H222 PolarHBondContact CE1-NE2 3.21Å; H130-H222 AromaticContact NE2-CD2 3.98Å; H130-H222 AromaticContact NE2-CE1 3.31Å; H130-H222 PolarHBondContact NE2-CE1 2.97Å; H130-H222 VanDerWaalsContact NE2-CE1 3.31Å; H130-H222 AromaticContact NE2-NE2 2.93Å; H130-H222 PolarHBondContact NE2-NE2 3.25Å; H130-Y234 PolarHBondContact ND1-O 2.75Å
131R98.5Very high98.3Very high47 Ų4723.8 Ų23.818%0.17711%0.114CC..Hα-helixtrans-57.9-48.1173.3179.7172.4-175.6162.26112.1Y127 A133 H134 E135 Y234Y127-R131 VanDerWaalsContact O-CB 3.22Å; Y127-R131 WeakPolarHBondContact O-CB 3.25Å; Y127-R131 PolarHBondContact O-N 3.18Å; Y127-R131 PolarHBondContact OH-NH1 3.19Å; Y127-R131 VanDerWaalsContact OH-NH1 3.15Å; R131-A133 VanDerWaalsContact C-N 3.27Å; R131-A133 PolarHBondContact O-N 3.45Å; R131-H134 PolarHBondContact O-N 2.95Å; R131-H134 VanDerWaalsContact O-N 3.12Å; R131-E135 HydrophobicContact CG-CG 4.22Å; R131-E135 IonicContact CZ-OE1 2.74Å; R131-E135 IonicContact NE-OE1 3.22Å; R131-E135 PolarHBondContact NE-OE1 3.19Å; R131-E135 IonicContact NE-OE2 3.75Å; R131-E135 PolarHBondContact NE-OE2 3.07Å; R131-E135 IonicContact NH2-OE1 3.12Å; R131-E135 PolarHBondContact NH2-OE1 3.2Å; R131-E135 VanDerWaalsContact NH2-OE1 3.17Å; R131-E135 WeakPolarHBondContact O-CB 3.36Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.42Å; R131-Y234 HydrophobicContact CB-CD1 4.42Å; R131-Y234 HydrophobicContact CB-CD2 3.77Å; R131-Y234 HydrophobicContact CB-CE2 4.05Å; R131-Y234 HydrophobicContact CB-CG 3.94Å; R131-Y234 HydrophobicContact CG-CD2 3.88Å; R131-Y234 HydrophobicContact CG-CE2 3.7Å; R131-Y234 HydrophobicContact CG-CG 4.49Å
132F98.3Very high98.2Very high73 Ų7323 Ų2332%0.3211%0.105SC..Hα-helixtrans-66.1-32.5178-88.6-107.8000112W128 V129 H130 H134 E135 V136 L139 F171W128-F132 HydrophobicContact CE3-CD2 4.07Å; W128-F132 AromaticContact CE3-CE2 3.7Å; W128-F132 HydrophobicContact CE3-CE2 3.7Å; W128-F132 HydrophobicContact CZ3-CE2 4.09Å; W128-F132 WeakPolarHBondContact O-CB 2.93Å; W128-F132 VanDerWaalsContact O-CD2 3.3Å; W128-F132 WeakPolarHBondContact O-CD2 3.37Å; W128-F132 PolarHBondContact O-N 3.02Å; V129-F132 PolarHBondContact O-N 3.23Å; H130-F132 PolarHBondContact O-N 2.97Å; F132-H134 PolarHBondContact O-N 2.99Å; F132-E135 PolarHBondContact O-N 2.74Å; F132-V136 HydrophobicContact CD1-CG2 3.74Å; F132-V136 HydrophobicContact CE1-CG2 4.41Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 VanDerWaalsContact O-CB 3.31Å; F132-V136 WeakPolarHBondContact O-CB 3.49Å; F132-V136 PolarHBondContact O-N 3.1Å; F132-L139 HydrophobicContact CB-CD1 3.76Å; F132-L139 HydrophobicContact CD1-CD1 4.42Å; F132-F171 HydrophobicContact CB-CE1 4.21Å; F132-F171 HydrophobicContact CB-CZ 3.69Å; F132-F171 HydrophobicContact CD1-CE1 4.34Å; F132-F171 AromaticContact CD1-CZ 4Å; F132-F171 HydrophobicContact CD1-CZ 4Å; F132-F171 AromaticContact CD2-CE1 3.9Å; F132-F171 HydrophobicContact CD2-CE1 3.9Å; F132-F171 HydrophobicContact CD2-CZ 4.2Å; F132-F171 HydrophobicContact CE2-CE1 4.34Å; F132-F171 AromaticContact CG-CE1 3.9Å; F132-F171 HydrophobicContact CG-CE1 3.9Å; F132-F171 AromaticContact CG-CZ 3.7Å; F132-F171 HydrophobicContact CG-CZ 3.7Å
133A98.2Very high98.2Very high2 Ų223.2 Ų23.22%0.01711%0.107CC..Hα-helixtrans-61.5-25.417300000113.3V129 H130 R131 L139 W140 H143V129-A133 VanDerWaalsContact O-CB 3.3Å; V129-A133 WeakPolarHBondContact O-CB 3.27Å; V129-A133 PolarHBondContact O-N 3.45Å; H130-A133 WeakPolarHBondContact O-CB 3.19Å; H130-A133 PolarHBondContact O-N 3.42Å; H130-A133 VanDerWaalsContact O-N 3.15Å; R131-A133 VanDerWaalsContact C-N 3.27Å; R131-A133 PolarHBondContact O-N 3.45Å; A133-L139 CarbonylContact O-C 3.24Å; A133-W140 WeakPolarHBondContact O-CA 3.3Å; A133-W140 VanDerWaalsContact O-CB 3.25Å; A133-W140 WeakPolarHBondContact O-CB 3.42Å; A133-W140 PolarHBondContact O-N 2.88Å; A133-H143 HydrophobicContact CB-CB 3.83Å
134H97.9Very high98.1Very high13 Ų1323.2 Ų23.26%0.0611%0.107CC..Hα-helixtrans-94.5-35.7173.6-78.1-103.6000113H130 R131 F132 W140 H143 H147 H222 Y234 P300H130-H134 AromaticContact CD2-CD2 3.77Å; H130-H134 AromaticContact CD2-NE2 3.84Å; H130-H134 AromaticContact NE2-CD2 3.99Å; H130-H134 AromaticContact NE2-NE2 3.58Å; H130-H134 PolarHBondContact O-CD2 3.31Å; H130-H134 PolarHBondContact O-N 3.21Å; R131-H134 PolarHBondContact O-N 2.95Å; R131-H134 VanDerWaalsContact O-N 3.12Å; F132-H134 PolarHBondContact O-N 2.99Å; H134-W140 AromaticContact CE1-CZ3 3.48Å; H134-W140 VanDerWaalsContact CE1-CZ3 3.48Å; H134-W140 WeakPolarHBondContact CE1-CZ3 3.37Å; H134-W140 AromaticContact ND1-CE3 4Å; H134-W140 AromaticContact ND1-CZ3 3.48Å; H134-W140 WeakPolarHBondContact ND1-CZ3 3.31Å; H134-H143 AromaticContact CD2-CD2 3.66Å; H134-H143 AromaticContact CD2-NE2 3.9Å; H134-H143 AromaticContact NE2-CD2 3.25Å; H134-H143 PolarHBondContact NE2-CD2 3.01Å; H134-H143 VanDerWaalsContact NE2-CD2 3.25Å; H134-H143 AromaticContact NE2-NE2 3.26Å; H134-H143 PolarHBondContact NE2-NE2 3.39Å; H134-H147 AromaticContact CE1-CD2 3.82Å; H134-H147 AromaticContact CE1-CE1 3.45Å; H134-H147 PolarHBondContact CE1-CE1 3Å; H134-H147 VanDerWaalsContact CE1-CE1 3.45Å; H134-H147 AromaticContact CE1-NE2 3.19Å; H134-H147 PolarHBondContact CE1-NE2 3.23Å; H134-H147 AromaticContact NE2-CD2 3.97Å; H134-H147 AromaticContact NE2-CE1 3.81Å; H134-H147 AromaticContact NE2-NE2 3.18Å; H134-H147 PolarHBondContact NE2-NE2 3.34Å; H134-H147 VanDerWaalsContact NE2-NE2 3.18Å; H134-H222 AromaticContact CD2-CE1 3.79Å; H134-H222 AromaticContact CE1-CE1 3.4Å; H134-H222 PolarHBondContact CE1-CE1 3.3Å; H134-H222 VanDerWaalsContact CE1-CE1 3.4Å; H134-H222 AromaticContact CE1-NE2 3.63Å; H134-H222 AromaticContact NE2-CE1 3.06Å; H134-H222 PolarHBondContact NE2-CE1 2.92Å; H134-H222 AromaticContact NE2-NE2 3.21Å; H134-H222 PolarHBondContact NE2-NE2 2.77Å; H134-Y234 HydrophobicContact CB-CE1 3.57Å; H134-Y234 AromaticContact CD2-CE1 3.87Å; H134-Y234 AromaticContact CG-CE1 3.66Å; H134-P300 WeakPolarHBondContact O-CD 3.22Å; H134-P300 WeakPolarHBondContact O-CG 3.47Å
135E97.4Very high98.1Very high10 Ų1020.7 Ų20.75%0.0479%0.094CC..Hα-helixtrans-90.8-7.1-171.5-69.2-173178.300114.9R131 F132 G299 R308 L309R131-E135 HydrophobicContact CG-CG 4.22Å; R131-E135 IonicContact CZ-OE1 2.74Å; R131-E135 IonicContact NE-OE1 3.22Å; R131-E135 PolarHBondContact NE-OE1 3.19Å; R131-E135 IonicContact NE-OE2 3.75Å; R131-E135 PolarHBondContact NE-OE2 3.07Å; R131-E135 IonicContact NH2-OE1 3.12Å; R131-E135 PolarHBondContact NH2-OE1 3.2Å; R131-E135 VanDerWaalsContact NH2-OE1 3.17Å; R131-E135 WeakPolarHBondContact O-CB 3.36Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.42Å; F132-E135 PolarHBondContact O-N 2.74Å; E135-G299 VanDerWaalsContact O-CA 3.28Å; E135-G299 WeakPolarHBondContact O-CA 3.49Å; E135-G299 PolarHBondContact O-N 2.86Å; E135-R308 PolarHBondContact O-NH1 3.48Å; E135-R308 IonicContact OE2-CZ 3.95Å; E135-R308 IonicContact OE2-NH2 3.36Å; E135-R308 PolarHBondContact OE2-NH2 3.33Å; E135-L309 HydrophobicContact CB-CD2 3.6Å; E135-L309 HydrophobicContact CG-CD1 4.27Å; E135-L309 HydrophobicContact CG-CD2 3.68Å
136V98.1Very high98.1Very high16 Ų1620.1 Ų20.110%0.0979%0.089CC..SBendtrans-124.3117.8178.8179.90000109.6F132 I138 L139 W140F132-V136 HydrophobicContact CD1-CG2 3.74Å; F132-V136 HydrophobicContact CE1-CG2 4.41Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 VanDerWaalsContact O-CB 3.31Å; F132-V136 WeakPolarHBondContact O-CB 3.49Å; F132-V136 PolarHBondContact O-N 3.1Å; V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 HydrophobicContact CG1-CG2 3.96Å; V136-I138 PolarHBondContact O-N 3.31Å; V136-L139 HydrophobicContact CB-CB 4.25Å; V136-L139 HydrophobicContact CB-CD1 3.93Å; V136-L139 HydrophobicContact CB-CG 4.03Å; V136-L139 HydrophobicContact CG1-CD1 4.15Å; V136-L139 HydrophobicContact CG1-CG 3.96Å; V136-L139 HydrophobicContact CG2-CD1 4.32Å; V136-L139 CarbonylContact O-C 3.57Å; V136-L139 WeakPolarHBondContact O-CA 3.48Å; V136-L139 PolarHBondContact O-N 3.49Å; V136-W140 PolarHBondContact O-N 2.97Å
137A97.9Very high98.1Very high1 Ų119 Ų191%0.0089%0.085CC..Hα-helixtrans-57.5-38.1-169.200000114.7L139 W140 A141 Y275 L279 T295 F296 K298A137-L139 VanDerWaalsContact C-N 3.34Å; A137-W140 PolarHBondContact O-N 3.24Å; A137-A141 PolarHBondContact O-N 3.39Å; A137-Y275 WeakPolarHBondContact O-CE1 3.48Å; A137-L279 HydrophobicContact CB-CD1 4.15Å; A137-L279 HydrophobicContact CB-CD2 3.87Å; A137-T295 VanDerWaalsContact CB-O 3.27Å; A137-T295 WeakPolarHBondContact CB-O 3.3Å; A137-F296 PolarHBondContact N-O 3Å; A137-K298 WeakPolarHBondContact CB-O 3.41Å; A137-K298 PolarHBondContact N-O 3.29Å
138I97.9Very high98.1Very high57 Ų5719.5 Ų19.529%0.2929%0.088SC..Hα-helixtrans-69.7-32.1177-167.864000112.5V136 A141 Y276 L279 F296V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 HydrophobicContact CG1-CG2 3.96Å; V136-I138 PolarHBondContact O-N 3.31Å; I138-A141 VanDerWaalsContact O-CB 3.28Å; I138-A141 WeakPolarHBondContact O-CB 3.49Å; I138-A141 PolarHBondContact O-N 3.36Å; I138-Y276 HydrophobicContact CD1-CD1 3.63Å; I138-Y276 HydrophobicContact CD1-CE1 3.48Å; I138-Y276 VanDerWaalsContact CD1-CE1 3.48Å; I138-Y276 HydrophobicContact CG1-CE1 4.4Å; I138-L279 HydrophobicContact CD1-CD1 4.32Å; I138-F296 HydrophobicContact CB-CB 4.43Å; I138-F296 HydrophobicContact CD1-CD1 4.26Å; I138-F296 WeakPolarHBondContact CG2-O 3.44Å; I138-F296 PolarHBondContact N-O 3.4Å
139L98.1Very high98Very high30 Ų3015.7 Ų15.716%0.1577%0.074CC..Hα-helixtrans-77.6-33.3175.2-53.8-179.1000110.4F132 A133 V136 A137 A141 A142 H143 T167F132-L139 HydrophobicContact CB-CD1 3.76Å; F132-L139 HydrophobicContact CD1-CD1 4.42Å; A133-L139 CarbonylContact O-C 3.24Å; V136-L139 HydrophobicContact CB-CB 4.25Å; V136-L139 HydrophobicContact CB-CD1 3.93Å; V136-L139 HydrophobicContact CB-CG 4.03Å; V136-L139 HydrophobicContact CG1-CD1 4.15Å; V136-L139 HydrophobicContact CG1-CG 3.96Å; V136-L139 HydrophobicContact CG2-CD1 4.32Å; V136-L139 CarbonylContact O-C 3.57Å; V136-L139 WeakPolarHBondContact O-CA 3.48Å; V136-L139 PolarHBondContact O-N 3.49Å; A137-L139 VanDerWaalsContact C-N 3.34Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 3.46Å; L139-A142 CarbonylContact O-C 3.54Å; L139-A142 WeakPolarHBondContact O-CA 3.02Å; L139-A142 WeakPolarHBondContact O-CB 3.44Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-H143 PolarHBondContact O-N 3.21Å; L139-H143 VanDerWaalsContact O-N 3.07Å; L139-T167 HydrophobicContact CD2-CG2 3.79Å
140W98.3Very high97.9Very high36 Ų3616.8 Ų16.814%0.1368%0.079CC..Hα-helixtrans-62.6-34.7168.5177.7-110.4000112.2A133 H134 V136 A137 A142 H143 Q144 H147 L259 Y275 P300A133-W140 WeakPolarHBondContact O-CA 3.3Å; A133-W140 VanDerWaalsContact O-CB 3.25Å; A133-W140 WeakPolarHBondContact O-CB 3.42Å; A133-W140 PolarHBondContact O-N 2.88Å; H134-W140 AromaticContact CE1-CZ3 3.48Å; H134-W140 VanDerWaalsContact CE1-CZ3 3.48Å; H134-W140 WeakPolarHBondContact CE1-CZ3 3.37Å; H134-W140 AromaticContact ND1-CE3 4Å; H134-W140 AromaticContact ND1-CZ3 3.48Å; H134-W140 WeakPolarHBondContact ND1-CZ3 3.31Å; V136-W140 PolarHBondContact O-N 2.97Å; A137-W140 PolarHBondContact O-N 3.24Å; W140-A142 PolarHBondContact O-N 3.15Å; W140-H143 HydrophobicContact CE3-CB 4.42Å; W140-H143 PolarHBondContact O-N 3.18Å; W140-Q144 HydrophobicContact CD2-CB 3.86Å; W140-Q144 VanDerWaalsContact CE2-CB 3.41Å; W140-Q144 HydrophobicContact CE3-CB 4.33Å; W140-Q144 HydrophobicContact CG-CB 4.36Å; W140-Q144 HydrophobicContact CH2-CB 4.09Å; W140-Q144 HydrophobicContact CZ2-CB 3.56Å; W140-Q144 HydrophobicContact CZ3-CB 4.43Å; W140-Q144 VanDerWaalsContact O-CB 3.27Å; W140-Q144 WeakPolarHBondContact O-CB 3.29Å; W140-Q144 WeakPolarHBondContact O-CG 3.46Å; W140-Q144 PolarHBondContact O-N 3.45Å; W140-H147 HydrophobicContact CH2-CB 3.79Å; W140-H147 AromaticContact CH2-CD2 3.98Å; W140-H147 AromaticContact CH2-CG 3.84Å; W140-H147 HydrophobicContact CZ3-CB 4.45Å; W140-H147 AromaticContact CZ3-CD2 3.78Å; W140-L259 HydrophobicContact CH2-CD2 4.43Å; W140-L259 HydrophobicContact CZ2-CD2 3.96Å; W140-Y275 AromaticContact CD1-CE1 3.54Å; W140-Y275 AromaticContact CD1-CE2 3.86Å; W140-Y275 AromaticContact CD1-CZ 3.42Å; W140-Y275 VanDerWaalsContact CD1-CZ 3.42Å; W140-Y275 HydrophobicContact CG-CE1 4.49Å; W140-Y275 AromaticContact NE1-CE2 3.93Å; W140-Y275 AromaticContact NE1-CZ 3.95Å; W140-P300 HydrophobicContact CB-CG 3.83Å; W140-P300 HydrophobicContact CD2-CG 4.23Å; W140-P300 HydrophobicContact CG-CB 4.42Å; W140-P300 HydrophobicContact CG-CG 3.57Å
141A97.9Very high97.7Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-57.1-37.1171.700000112A137 I138 L139 Y275 Y276 L279A137-A141 PolarHBondContact O-N 3.39Å; I138-A141 VanDerWaalsContact O-CB 3.28Å; I138-A141 WeakPolarHBondContact O-CB 3.49Å; I138-A141 PolarHBondContact O-N 3.36Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 3.46Å; A141-Y275 HydrophobicContact CB-CD1 3.62Å; A141-Y275 HydrophobicContact CB-CE1 4.44Å; A141-Y275 HydrophobicContact CB-CG 4.48Å; A141-Y276 HydrophobicContact CB-CD1 3.69Å; A141-Y276 HydrophobicContact CB-CD2 3.96Å; A141-Y276 HydrophobicContact CB-CE1 3.42Å; A141-Y276 VanDerWaalsContact CB-CE1 3.42Å; A141-Y276 HydrophobicContact CB-CE2 3.71Å; A141-Y276 HydrophobicContact CB-CG 3.95Å; A141-Y276 VanDerWaalsContact CB-CZ 3.44Å; A141-L279 HydrophobicContact CB-CD1 4.34Å
142A96.9Very high97.6Very high0 Ų017 Ų170%08%0.08CC..Hα-helixtrans-79.2-16.3176.100000113.6L139 W140 S161 T163 Q164 T167 Y276L139-A142 CarbonylContact O-C 3.54Å; L139-A142 WeakPolarHBondContact O-CA 3.02Å; L139-A142 WeakPolarHBondContact O-CB 3.44Å; L139-A142 PolarHBondContact O-N 2.93Å; W140-A142 PolarHBondContact O-N 3.15Å; A142-S161 WeakPolarHBondContact O-CB 3.5Å; A142-S161 PolarHBondContact O-OG 3.06Å; A142-T163 WeakPolarHBondContact CA-OG1 3.44Å; A142-T163 WeakPolarHBondContact CB-OG1 3.35Å; A142-Q164 PolarHBondContact O-OE1 2.71Å; A142-T167 HydrophobicContact CB-CG2 4.11Å; A142-Y276 WeakPolarHBondContact CB-OH 3.38Å; A142-Y276 PolarHBondContact N-OH 2.84Å
143H98Very high97.5Very high7 Ų713.6 Ų13.63%0.0327%0.065CC..Hα-helixtrans-112.1-29.7-173-166.566.5000114.3H130 A133 H134 L139 W140 V145 H146 H147 Q164H130-H143 AromaticContact CD2-CE1 3.65Å; H130-H143 AromaticContact CD2-NE2 3.46Å; H130-H143 PolarHBondContact CD2-NE2 3.26Å; H130-H143 AromaticContact NE2-CE1 3.51Å; H130-H143 AromaticContact NE2-NE2 3.15Å; H130-H143 PolarHBondContact NE2-NE2 3.26Å; H130-H143 VanDerWaalsContact NE2-NE2 3.15Å; A133-H143 HydrophobicContact CB-CB 3.83Å; H134-H143 AromaticContact CD2-CD2 3.66Å; H134-H143 AromaticContact CD2-NE2 3.9Å; H134-H143 AromaticContact NE2-CD2 3.25Å; H134-H143 PolarHBondContact NE2-CD2 3.01Å; H134-H143 VanDerWaalsContact NE2-CD2 3.25Å; H134-H143 AromaticContact NE2-NE2 3.26Å; H134-H143 PolarHBondContact NE2-NE2 3.39Å; L139-H143 PolarHBondContact O-N 3.21Å; L139-H143 VanDerWaalsContact O-N 3.07Å; W140-H143 HydrophobicContact CE3-CB 4.42Å; W140-H143 PolarHBondContact O-N 3.18Å; H143-V145 PolarHBondContact O-N 3.44Å; H143-H146 AromaticContact CE1-CD2 3.78Å; H143-H146 AromaticContact NE2-CD2 3.97Å; H143-H146 WeakPolarHBondContact O-CB 3.39Å; H143-H146 PolarHBondContact O-N 3.37Å; H143-H147 AromaticContact CD2-CD2 3.56Å; H143-H147 AromaticContact CD2-NE2 3.62Å; H143-H147 AromaticContact NE2-CD2 3.53Å; H143-H147 AromaticContact NE2-NE2 3.2Å; H143-H147 PolarHBondContact NE2-NE2 3.46Å; H143-H147 VanDerWaalsContact NE2-NE2 3.2Å; H143-Q164 PolarHBondContact ND1-OE1 2.95Å
144Q98.1Very high97.4Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-55.8-27.3-175.668.476.426.900113.6W140 H146 H147 S148 L259 V271 H274 Y275W140-Q144 HydrophobicContact CD2-CB 3.86Å; W140-Q144 VanDerWaalsContact CE2-CB 3.41Å; W140-Q144 HydrophobicContact CE3-CB 4.33Å; W140-Q144 HydrophobicContact CG-CB 4.36Å; W140-Q144 HydrophobicContact CH2-CB 4.09Å; W140-Q144 HydrophobicContact CZ2-CB 3.56Å; W140-Q144 HydrophobicContact CZ3-CB 4.43Å; W140-Q144 VanDerWaalsContact O-CB 3.27Å; W140-Q144 WeakPolarHBondContact O-CB 3.29Å; W140-Q144 WeakPolarHBondContact O-CG 3.46Å; W140-Q144 PolarHBondContact O-N 3.45Å; Q144-H146 PolarHBondContact O-N 3.47Å; Q144-H147 CarbonylContact O-C 3.47Å; Q144-H147 WeakPolarHBondContact O-CA 3.07Å; Q144-H147 PolarHBondContact O-N 3.47Å; Q144-S148 PolarHBondContact O-N 2.64Å; Q144-L259 HydrophobicContact CB-CD2 4.03Å; Q144-L259 WeakPolarHBondContact O-CD2 3.4Å; Q144-L259 VanDerWaalsContact OE1-CD1 3.23Å; Q144-V271 PolarHBondContact NE2-O 3.2Å; Q144-H274 PolarHBondContact NE2-CE1 3.16Å; Q144-H274 PolarHBondContact OE1-CE1 3.22Å; Q144-Y275 HydrophobicContact CG-CG 4.37Å
145V98.3Very high97.3Very high0 Ų013.6 Ų13.60%07%0.065CC..Hα-helixtrans-51.4-43.1174.4177.30000110.2A76 H143 H147 S148 R159 V271A76-V145 HydrophobicContact CB-CG1 4.17Å; H143-V145 PolarHBondContact O-N 3.44Å; V145-H147 PolarHBondContact O-N 3.49Å; V145-S148 WeakPolarHBondContact O-CB 3.27Å; V145-S148 PolarHBondContact O-N 3.21Å; V145-S148 VanDerWaalsContact O-N 3.16Å; V145-S148 PolarHBondContact O-OG 2.93Å; V145-R159 HydrophobicContact CG1-CG 4.14Å; V145-R159 WeakPolarHBondContact O-CD 3.29Å; V145-R159 VanDerWaalsContact O-CG 3.27Å; V145-R159 WeakPolarHBondContact O-CG 3.37Å; V145-V271 HydrophobicContact CG1-CG1 4.05Å
146H98.3Very high97.3Very high7 Ų713.1 Ų13.13%0.0326%0.063CC..Hα-helixtrans-62.3-39.8177.7-172.649000113.3H143 Q144 S148 T156 R159 H199 H223H143-H146 AromaticContact CE1-CD2 3.78Å; H143-H146 AromaticContact NE2-CD2 3.97Å; H143-H146 WeakPolarHBondContact O-CB 3.39Å; H143-H146 PolarHBondContact O-N 3.37Å; Q144-H146 PolarHBondContact O-N 3.47Å; H146-S148 VanDerWaalsContact C-N 3.3Å; H146-S148 PolarHBondContact O-N 3.07Å; H146-T156 PolarHBondContact CE1-O 3.18Å; H146-T156 PolarHBondContact ND1-O 3.47Å; H146-R159 WeakPolarHBondContact CA-O 3.49Å; H146-R159 PolarHBondContact N-O 2.88Å; H146-H199 AromaticContact CE1-CD2 3.95Å; H146-H199 AromaticContact CE1-CE1 3.97Å; H146-H199 AromaticContact CE1-NE2 3.13Å; H146-H199 PolarHBondContact CE1-NE2 3.39Å; H146-H199 AromaticContact NE2-NE2 3.25Å; H146-H199 PolarHBondContact NE2-NE2 3.11Å; H146-H223 AromaticContact CD2-CE1 3.37Å; H146-H223 PolarHBondContact CD2-CE1 3.43Å; H146-H223 AromaticContact CD2-NE2 3.74Å; H146-H223 AromaticContact CE1-CE1 3.64Å; H146-H223 AromaticContact CE1-NE2 3.91Å; H146-H223 AromaticContact CG-CE1 3.92Å; H146-H223 AromaticContact NE2-CE1 3.21Å; H146-H223 PolarHBondContact NE2-CE1 3Å; H146-H223 AromaticContact NE2-NE2 3.24Å; H146-H223 PolarHBondContact NE2-NE2 2.76Å
147H98.3Very high97.2Very high9 Ų912.9 Ų12.94%0.0426%0.063CC..Hα-helixtrans-83.3-2.1177-71.1-90.9000114.1H134 W140 H143 Q144 V145 S149 H222 H223 G258 L259H134-H147 AromaticContact CE1-CD2 3.82Å; H134-H147 AromaticContact CE1-CE1 3.45Å; H134-H147 PolarHBondContact CE1-CE1 3Å; H134-H147 VanDerWaalsContact CE1-CE1 3.45Å; H134-H147 AromaticContact CE1-NE2 3.19Å; H134-H147 PolarHBondContact CE1-NE2 3.23Å; H134-H147 AromaticContact NE2-CD2 3.97Å; H134-H147 AromaticContact NE2-CE1 3.81Å; H134-H147 AromaticContact NE2-NE2 3.18Å; H134-H147 PolarHBondContact NE2-NE2 3.34Å; H134-H147 VanDerWaalsContact NE2-NE2 3.18Å; W140-H147 HydrophobicContact CH2-CB 3.79Å; W140-H147 AromaticContact CH2-CD2 3.98Å; W140-H147 AromaticContact CH2-CG 3.84Å; W140-H147 HydrophobicContact CZ3-CB 4.45Å; W140-H147 AromaticContact CZ3-CD2 3.78Å; H143-H147 AromaticContact CD2-CD2 3.56Å; H143-H147 AromaticContact CD2-NE2 3.62Å; H143-H147 AromaticContact NE2-CD2 3.53Å; H143-H147 AromaticContact NE2-NE2 3.2Å; H143-H147 PolarHBondContact NE2-NE2 3.46Å; H143-H147 VanDerWaalsContact NE2-NE2 3.2Å; Q144-H147 CarbonylContact O-C 3.47Å; Q144-H147 WeakPolarHBondContact O-CA 3.07Å; Q144-H147 PolarHBondContact O-N 3.47Å; V145-H147 PolarHBondContact O-N 3.49Å; H147-S149 VanDerWaalsContact C-N 3.34Å; H147-S149 PolarHBondContact O-N 3.13Å; H147-H222 AromaticContact CE1-CD2 3.45Å; H147-H222 PolarHBondContact CE1-CD2 3.13Å; H147-H222 VanDerWaalsContact CE1-CD2 3.45Å; H147-H222 AromaticContact CE1-NE2 3.18Å; H147-H222 PolarHBondContact CE1-NE2 3.11Å; H147-H222 PolarHBondContact CE1-O 3.27Å; H147-H222 AromaticContact NE2-CD2 3.89Å; H147-H222 AromaticContact NE2-NE2 3.23Å; H147-H222 PolarHBondContact NE2-NE2 3.34Å; H147-H223 AromaticContact CE1-CE1 3.89Å; H147-H223 AromaticContact CE1-CG 3.89Å; H147-H223 AromaticContact CE1-ND1 3.7Å; H147-H223 AromaticContact ND1-CG 3.94Å; H147-H223 AromaticContact ND1-ND1 3.55Å; H147-G258 CarbonylContact O-C 3.55Å; H147-G258 VanDerWaalsContact O-C 3.24Å; H147-G258 WeakPolarHBondContact O-CA 3.4Å; H147-L259 HydrophobicContact CB-CD2 4.02Å; H147-L259 PolarHBondContact O-N 2.97Å
148S98Very high97.1Very high9 Ų914.4 Ų14.46%0.0637%0.071CC..THydrogen-bonded Turntrans-78.5-14.4-172.6720000114.6Q144 V145 H146 R159Q144-S148 PolarHBondContact O-N 2.64Å; V145-S148 WeakPolarHBondContact O-CB 3.27Å; V145-S148 PolarHBondContact O-N 3.21Å; V145-S148 VanDerWaalsContact O-N 3.16Å; V145-S148 PolarHBondContact O-OG 2.93Å; H146-S148 VanDerWaalsContact C-N 3.3Å; H146-S148 PolarHBondContact O-N 3.07Å; S148-R159 WeakPolarHBondContact OG-CD 3.45Å; S148-R159 PolarHBondContact OG-NH1 3.48Å
149S97.1Very high97.1Very high3 Ų311.9 Ų11.92%0.0216%0.058CC..  trans-71133174.3-176.90000110.5D69 H147 Y151 G258D69-S149 VanDerWaalsContact CG-OG 3.22Å; D69-S149 PolarHBondContact OD1-OG 2.73Å; D69-S149 VanDerWaalsContact OD1-OG 3.13Å; D69-S149 PolarHBondContact OD2-OG 2.95Å; H147-S149 VanDerWaalsContact C-N 3.34Å; H147-S149 PolarHBondContact O-N 3.13Å; S149-Y151 WeakPolarHBondContact CB-O 3.4Å; S149-Y151 PolarHBondContact OG-N 2.92Å; S149-Y151 PolarHBondContact OG-O 2.98Å; S149-G258 VanDerWaalsContact O-CA 3.25Å; S149-G258 WeakPolarHBondContact O-CA 3.31Å; S149-G258 PolarHBondContact O-N 3.45Å
150E96.3Very high97Very high31 Ų3112.9 Ų12.915%0.1456%0.061CC..SBendtrans-86.32.7170.5-64.7-173.7-104.800112.2P324 H325E150-P324 HydrophobicContact CB-CB 3.77Å; E150-P324 HydrophobicContact CB-CG 4.23Å; E150-P324 WeakPolarHBondContact OE2-CA 3.35Å; E150-H325 VanDerWaalsContact OE1-CB 3.25Å; E150-H325 WeakPolarHBondContact OE1-CB 3.29Å; E150-H325 PolarHBondContact OE1-N 3.37Å
151Y94.9Very high96.9Very high47 Ų4711.4 Ų11.418%0.1846%0.056CC..SBendtrans-114.6147.6172.6-63-94000109.7T66 D69 S149 T156 P324T66-Y151 HydrophobicContact CG2-CE1 4.13Å; T66-Y151 HydrophobicContact CG2-CE2 4.22Å; T66-Y151 WeakPolarHBondContact CG2-OH 3.42Å; D69-Y151 HydrophobicContact CB-CD2 3.6Å; D69-Y151 HydrophobicContact CB-CE2 3.95Å; D69-Y151 HydrophobicContact CB-CG 4.45Å; D69-Y151 VanDerWaalsContact CG-CD2 3.46Å; S149-Y151 WeakPolarHBondContact CB-O 3.4Å; S149-Y151 PolarHBondContact OG-N 2.92Å; S149-Y151 PolarHBondContact OG-O 2.98Å; Y151-T156 PolarHBondContact O-OG1 3.24Å; Y151-T156 VanDerWaalsContact O-OG1 3.06Å; Y151-P324 HydrophobicContact CD2-CB 4.35Å; Y151-P324 HydrophobicContact CE1-CB 4.4Å; Y151-P324 HydrophobicContact CE1-CG 4.29Å; Y151-P324 HydrophobicContact CE2-CB 3.6Å; Y151-P324 HydrophobicContact CE2-CG 4.27Å
152Y95.6Very high96.8Very high5 Ų513.9 Ų13.92%0.027%0.069CC..  trans-122.9103.5178.8-165.3-104.9000111.2T156 I198 H199 E201 H219 R220 H223 Y257Y152-T156 HydrophobicContact CD2-CG2 4.37Å; Y152-I198 PolarHBondContact OH-O 2.78Å; Y152-H199 AromaticContact CE2-CD2 3.94Å; Y152-E201 HydrophobicContact CD1-CG 3.88Å; Y152-E201 WeakPolarHBondContact O-CG 3.38Å; Y152-H219 VanDerWaalsContact OH-C 3.25Å; Y152-H219 VanDerWaalsContact OH-CB 3.3Å; Y152-H219 WeakPolarHBondContact OH-CB 3.3Å; Y152-H219 PolarHBondContact OH-CD2 3Å; Y152-H219 PolarHBondContact OH-O 3.36Å; Y152-R220 HydrophobicContact CD1-CG 3.57Å; Y152-R220 HydrophobicContact CE1-CB 4.29Å; Y152-R220 HydrophobicContact CE1-CG 3.36Å; Y152-H223 HydrophobicContact CD2-CB 3.84Å; Y152-H223 AromaticContact CD2-CG 3.97Å; Y152-H223 HydrophobicContact CE2-CB 3.56Å; Y152-H223 AromaticContact CE2-CD2 3.44Å; Y152-H223 VanDerWaalsContact CE2-CD2 3.44Å; Y152-H223 WeakPolarHBondContact CE2-CD2 3.47Å; Y152-H223 AromaticContact CE2-CG 3.38Å; Y152-H223 AromaticContact CE2-ND1 3.99Å; Y152-Y257 HydrophobicContact CD1-CE1 4.12Å; Y152-Y257 HydrophobicContact CD2-CD1 4.07Å; Y152-Y257 AromaticContact CD2-CE1 3.97Å; Y152-Y257 HydrophobicContact CD2-CE1 3.97Å; Y152-Y257 HydrophobicContact CG-CD1 4.05Å; Y152-Y257 AromaticContact CG-CE1 3.61Å; Y152-Y257 HydrophobicContact CG-CE1 3.61Å; Y152-Y257 HydrophobicContact CG-CE2 4.28Å; Y152-Y257 AromaticContact CG-CZ 3.75Å
153N95.6Very high96.7Very high2 Ų215.1 Ų15.11%0.0118%0.077CC..SBendtrans-157.8176.9-17562.275.9000109E52 T155 T156 H199E52-N153 WeakPolarHBondContact OE2-CB 3.17Å; N153-T155 PolarHBondContact O-N 3.41Å; N153-T155 VanDerWaalsContact O-N 3.11Å; N153-T155 VanDerWaalsContact OD1-CB 3.27Å; N153-T155 WeakPolarHBondContact OD1-CB 3.48Å; N153-T155 WeakPolarHBondContact OD1-CG2 3.38Å; N153-T155 PolarHBondContact OD1-N 3.47Å; N153-T155 PolarHBondContact OD1-OG1 2.93Å; N153-T156 PolarHBondContact N-OG1 3.33Å; N153-T156 WeakPolarHBondContact O-CA 3.13Å; N153-T156 WeakPolarHBondContact O-CB 3.43Å; N153-T156 PolarHBondContact O-N 3.13Å; N153-T156 PolarHBondContact O-OG1 3.49Å; N153-H199 CarbonylContact C-O 3.57Å; N153-H199 WeakPolarHBondContact CA-O 3.42Å
154L96.8Very high96.3Very high12 Ų1216.2 Ų16.26%0.0638%0.082CC..THydrogen-bonded Turntrans-64.2-21.7-173.2-70.3173.8000113.1L48 M49 E52 T156 A157 F196 H199L48-L154 HydrophobicContact CB-CD1 3.77Å; L48-L154 WeakPolarHBondContact O-CD1 3.3Å; M49-L154 HydrophobicContact CG-CB 3.67Å; E52-L154 HydrophobicContact CB-CD1 3.97Å; E52-L154 VanDerWaalsContact OE2-CB 3.3Å; E52-L154 WeakPolarHBondContact OE2-CB 3.47Å; E52-L154 VanDerWaalsContact OE2-CG 3.31Å; E52-L154 WeakPolarHBondContact OE2-CG 3.44Å; E52-L154 PolarHBondContact OE2-N 3.17Å; L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.48Å; L154-A157 WeakPolarHBondContact O-CB 3.49Å; L154-A157 PolarHBondContact O-N 3.46Å; L154-F196 HydrophobicContact CB-CE2 4.37Å; L154-F196 HydrophobicContact CB-CZ 3.95Å; L154-F196 HydrophobicContact CD1-CE1 4.24Å; L154-F196 HydrophobicContact CD1-CZ 4.29Å; L154-F196 HydrophobicContact CD2-CD1 4.24Å; L154-F196 HydrophobicContact CD2-CE1 3.86Å; L154-F196 HydrophobicContact CD2-CZ 4.09Å; L154-F196 WeakPolarHBondContact CD2-O 3.38Å; L154-F196 HydrophobicContact CG-CE1 4.45Å; L154-F196 HydrophobicContact CG-CZ 4.35Å; L154-H199 WeakPolarHBondContact CA-O 3.46Å; L154-H199 PolarHBondContact N-O 2.69Å
155T96.3Very high95.8Very high3 Ų318 Ų182%0.0189%0.09CC..THydrogen-bonded Turntrans-68.3-28.2172.475.30000111.7M49 M53 S73 N153 A157 L158M49-T155 HydrophobicContact CG-CG2 4.39Å; M49-T155 HydrophobicContact SD-CG2 3.78Å; M53-T155 HydrophobicContact CE-CG2 4.17Å; S73-T155 WeakPolarHBondContact CB-O 3.23Å; N153-T155 PolarHBondContact O-N 3.41Å; N153-T155 VanDerWaalsContact O-N 3.11Å; N153-T155 VanDerWaalsContact OD1-CB 3.27Å; N153-T155 WeakPolarHBondContact OD1-CB 3.48Å; N153-T155 WeakPolarHBondContact OD1-CG2 3.38Å; N153-T155 PolarHBondContact OD1-N 3.47Å; N153-T155 PolarHBondContact OD1-OG1 2.93Å; T155-A157 PolarHBondContact O-N 2.97Å; T155-L158 WeakPolarHBondContact O-CB 3.31Å; T155-L158 PolarHBondContact O-N 3.1Å
156T96.4Very high95.5Very high1 Ų121.6 Ų21.61%0.00611%0.106CC..G310 helixtrans-59.9-32.9176.9-53.20000111.4H146 Y151 Y152 N153 L154 L158 R159H146-T156 PolarHBondContact CE1-O 3.18Å; H146-T156 PolarHBondContact ND1-O 3.47Å; Y151-T156 PolarHBondContact O-OG1 3.24Å; Y151-T156 VanDerWaalsContact O-OG1 3.06Å; Y152-T156 HydrophobicContact CD2-CG2 4.37Å; N153-T156 PolarHBondContact N-OG1 3.33Å; N153-T156 WeakPolarHBondContact O-CA 3.13Å; N153-T156 WeakPolarHBondContact O-CB 3.43Å; N153-T156 PolarHBondContact O-N 3.13Å; N153-T156 PolarHBondContact O-OG1 3.49Å; L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.48Å; T156-L158 PolarHBondContact O-N 3.02Å; T156-R159 WeakPolarHBondContact O-CB 3.36Å; T156-R159 PolarHBondContact O-N 3.44Å
157A95.9Very high95.1Very high11 Ų1122.7 Ų22.79%0.09111%0.114CC..G310 helixtrans-56.8-32.717300000112.7L154 T155 Q160 F196 H199L154-A157 WeakPolarHBondContact O-CB 3.49Å; L154-A157 PolarHBondContact O-N 3.46Å; T155-A157 PolarHBondContact O-N 2.97Å; A157-Q160 PolarHBondContact O-NE2 2.9Å; A157-F196 HydrophobicContact CB-CD2 3.66Å; A157-F196 HydrophobicContact CB-CE2 4.2Å; A157-F196 HydrophobicContact CB-CG 4.46Å; A157-H199 HydrophobicContact CB-CB 4.11Å
158L95.5Very high94.6Very high33 Ų3322.9 Ų22.917%0.17312%0.116CC..G310 helixtrans-85.5-9.2-179.2-56.9178.9000113.1F45 M49 S73 L74 G77 T155 T156 Q160F45-L158 HydrophobicContact CD2-CD2 4.37Å; M49-L158 HydrophobicContact CE-CD1 3.88Å; M49-L158 HydrophobicContact SD-CD1 3.74Å; S73-L158 CarbonylContact O-C 3.58Å; L74-L158 HydrophobicContact CD2-CD1 3.55Å; G77-L158 WeakPolarHBondContact CA-O 3.48Å; G77-L158 PolarHBondContact N-O 3.24Å; T155-L158 WeakPolarHBondContact O-CB 3.31Å; T155-L158 PolarHBondContact O-N 3.1Å; T156-L158 PolarHBondContact O-N 3.02Å; L158-Q160 PolarHBondContact O-N 3.01Å
159R97.7Very high94.4Very high4 Ų426.2 Ų26.22%0.01513%0.127CC..  trans-75.367.9-178.4-168.1178.2-79.1-1402.2111.6D69 S73 A76 V145 H146 S148 T156D69-R159 PolarHBondContact O-NH2 3.4Å; D69-R159 IonicContact OD1-CZ 3.87Å; D69-R159 IonicContact OD1-NH1 3.99Å; D69-R159 IonicContact OD1-NH2 3.15Å; D69-R159 PolarHBondContact OD1-NH2 2.92Å; D69-R159 IonicContact OD2-NH2 3.89Å; D69-R159 PolarHBondContact OD2-NH2 3.25Å; S73-R159 PolarHBondContact OG-NE 3.08Å; S73-R159 PolarHBondContact OG-NH2 3.07Å; A76-R159 HydrophobicContact CB-CB 4.5Å; A76-R159 HydrophobicContact CB-CG 3.9Å; V145-R159 HydrophobicContact CG1-CG 4.14Å; V145-R159 WeakPolarHBondContact O-CD 3.29Å; V145-R159 VanDerWaalsContact O-CG 3.27Å; V145-R159 WeakPolarHBondContact O-CG 3.37Å; H146-R159 WeakPolarHBondContact CA-O 3.49Å; H146-R159 PolarHBondContact N-O 2.88Å; S148-R159 WeakPolarHBondContact OG-CD 3.45Å; S148-R159 PolarHBondContact OG-NH1 3.48Å; T156-R159 WeakPolarHBondContact O-CB 3.36Å; T156-R159 PolarHBondContact O-N 3.44Å
160Q96.4Very high94.3Very high51 Ų5130.8 Ų30.824%0.23815%0.15CC..  trans-97.2151-172.4-64.2-61.3-31.100112.1A76 A157 L158 Q272A76-Q160 CarbonylContact C-O 3.44Å; A76-Q160 VanDerWaalsContact O-O 3.11Å; A157-Q160 PolarHBondContact O-NE2 2.9Å; L158-Q160 PolarHBondContact O-N 3.01Å; Q160-Q272 PolarHBondContact O-NE2 2.81Å; Q160-Q272 VanDerWaalsContact O-NE2 3.1Å
161S96.6Very high94.3Very high4 Ų431.7 Ų31.73%0.02815%0.154CC..  trans-80.2147.7174.7-178.60000112.1S80 A142 T163 Q272S80-S161 WeakPolarHBondContact CB-O 3.36Å; A142-S161 WeakPolarHBondContact O-CB 3.5Å; A142-S161 PolarHBondContact O-OG 3.06Å; S161-T163 PolarHBondContact O-N 2.86Å; S161-T163 PolarHBondContact OG-N 2.68Å; S161-T163 VanDerWaalsContact OG-N 3.07Å; S161-T163 PolarHBondContact OG-OG1 3.1Å; S161-Q272 VanDerWaalsContact CA-OE1 3.24Å; S161-Q272 PolarHBondContact OG-OE1 3.17Å
162L95Very high94.4Very high52 Ų5229.7 Ų29.727%0.27215%0.146SC..SBendtrans-51.6-38.5164.8-178.263.5000112.6I79 P83 Q165I79-L162 HydrophobicContact CG2-CB 3.87Å; I79-L162 HydrophobicContact CG2-CD1 3.97Å; I79-L162 HydrophobicContact CG2-CG 4.36Å; I79-L162 WeakPolarHBondContact O-CD1 3.49Å; P83-L162 HydrophobicContact CG-CD1 3.46Å; P83-L162 VanDerWaalsContact CG-CD1 3.46Å; P83-L162 HydrophobicContact CG-CG 4.46Å; L162-Q165 PolarHBondContact O-NE2 3.42Å; L162-Q165 VanDerWaalsContact O-NE2 3.15Å
163T94.7Very high94.5Very high26 Ų2631 Ų3116%0.1615%0.153CC..SBendtrans-96.2-13.4-164.453.70000114.8A142 S161 Q165 F166 Y276A142-T163 WeakPolarHBondContact CA-OG1 3.44Å; A142-T163 WeakPolarHBondContact CB-OG1 3.35Å; S161-T163 PolarHBondContact O-N 2.86Å; S161-T163 PolarHBondContact OG-N 2.68Å; S161-T163 VanDerWaalsContact OG-N 3.07Å; S161-T163 PolarHBondContact OG-OG1 3.1Å; T163-Q165 VanDerWaalsContact C-N 3.26Å; T163-Q165 PolarHBondContact O-N 3.13Å; T163-F166 PolarHBondContact O-N 3.04Å; T163-Y276 VanDerWaalsContact CB-OH 3.28Å; T163-Y276 WeakPolarHBondContact CB-OH 3.41Å; T163-Y276 HydrophobicContact CG2-CE2 4.3Å; T163-Y276 PolarHBondContact OG1-OH 3.15Å
164Q90.9Very high94.6Very high31 Ų3135 Ų3515%0.14518%0.179CC..G310 helixtrans-56.8-36.9-175.3-175.966.938.400113.2A142 H143 F166 T167A142-Q164 PolarHBondContact O-OE1 2.71Å; H143-Q164 PolarHBondContact ND1-OE1 2.95Å; Q164-F166 PolarHBondContact O-N 3.2Å; Q164-T167 PolarHBondContact O-N 3.28Å; Q164-T167 VanDerWaalsContact O-N 3.16Å; Q164-T167 PolarHBondContact O-OG1 3.48Å
165Q87.3Confident94.7Very high37 Ų3735.4 Ų35.417%0.17318%0.181CC..G310 helixtrans-66.7-19.9-17972.8-163-61.300113.9S80 L162 T163 T167S80-Q165 PolarHBondContact O-NE2 2.89Å; L162-Q165 PolarHBondContact O-NE2 3.42Å; L162-Q165 VanDerWaalsContact O-NE2 3.15Å; T163-Q165 VanDerWaalsContact C-N 3.26Å; T163-Q165 PolarHBondContact O-N 3.13Å; Q165-T167 VanDerWaalsContact C-N 3.32Å
166F91.5Very high94.8Very high76 Ų7635.3 Ų35.333%0.33318%0.18SC..G310 helixtrans-87.4-7.4179-55.4-58.5000112.7P83 M87 T163 Q164 W169P83-F166 HydrophobicContact CB-CZ 3.82Å; P83-F166 HydrophobicContact CG-CE2 4.31Å; P83-F166 HydrophobicContact CG-CZ 4.06Å; M87-F166 HydrophobicContact SD-CE1 3.52Å; M87-F166 VanDerWaalsContact SD-CE1 3.52Å; M87-F166 HydrophobicContact SD-CZ 4.03Å; T163-F166 PolarHBondContact O-N 3.04Å; Q164-F166 PolarHBondContact O-N 3.2Å; F166-W169 PolarHBondContact O-NE1 3.03Å
167T89.4Confident94.9Very high30 Ų3038.1 Ų38.118%0.18420%0.195CC..THydrogen-bonded Turntrans-113.6-13.5-170.553.30000114.2L139 A142 Q164 Q165L139-T167 HydrophobicContact CD2-CG2 3.79Å; A142-T167 HydrophobicContact CB-CG2 4.11Å; Q164-T167 PolarHBondContact O-N 3.28Å; Q164-T167 VanDerWaalsContact O-N 3.16Å; Q164-T167 PolarHBondContact O-OG1 3.48Å; Q165-T167 VanDerWaalsContact C-N 3.32Å
168S89.4Confident95Very high12 Ų1239 Ų398%0.08420%0.202CC..SBendtrans-91.8-33.1-17660.40000115E91 I170 F171E91-S168 PolarHBondContact OE2-OG 3.12Å; S168-I170 VanDerWaalsContact C-N 3.29Å; S168-I170 PolarHBondContact O-N 3.34Å; S168-I170 VanDerWaalsContact O-N 3.09Å; S168-F171 WeakPolarHBondContact O-CD2 3.41Å; S168-F171 PolarHBondContact O-N 3.44Å; S168-F171 VanDerWaalsContact O-N 3.14Å
169W92.9Very high95.1Very high79 Ų7937.9 Ų37.930%0.29920%0.197SC..G310 helixtrans-56.5-35.6-163.258.2-87.5000115.3E91 A94 F166 F171 Y172 L173E91-W169 HydrophobicContact CB-CB 3.94Å; E91-W169 HydrophobicContact CG-CB 4.21Å; A94-W169 HydrophobicContact CB-CD2 4.42Å; A94-W169 HydrophobicContact CB-CE3 3.73Å; A94-W169 HydrophobicContact CB-CZ3 4.25Å; F166-W169 PolarHBondContact O-NE1 3.03Å; W169-F171 PolarHBondContact O-N 3.23Å; W169-Y172 PolarHBondContact O-N 2.86Å; W169-L173 HydrophobicContact CE3-CD1 3.75Å; W169-L173 HydrophobicContact CE3-CD2 4.37Å; W169-L173 HydrophobicContact CE3-CG 4.2Å; W169-L173 HydrophobicContact CZ3-CD1 3.61Å
170I95.3Very high95.1Very high99 Ų9938 Ų3851%0.50820%0.198SC..G310 helixtrans-58.7-35.9-176.7-59.1171.8000111.4S168 Y172 L173S168-I170 VanDerWaalsContact C-N 3.29Å; S168-I170 PolarHBondContact O-N 3.34Å; S168-I170 VanDerWaalsContact O-N 3.09Å; I170-Y172 PolarHBondContact O-N 2.97Å; I170-L173 PolarHBondContact O-N 3.42Å
171F96.3Very high95.2Very high50 Ų5036 Ų3622%0.21919%0.19CC..G310 helixtrans-70.1-21.3-175.4-66.9-89.2000113.2C125 W128 V129 F132 S168 W169C125-F171 PolarHBondContact SG-O 3.02Å; W128-F171 HydrophobicContact CB-CD1 3.92Å; W128-F171 HydrophobicContact CB-CE1 4.28Å; V129-F171 HydrophobicContact CB-CD2 4.41Å; V129-F171 HydrophobicContact CG2-CB 3.44Å; V129-F171 VanDerWaalsContact CG2-CB 3.44Å; V129-F171 HydrophobicContact CG2-CD1 4.49Å; V129-F171 HydrophobicContact CG2-CD2 3.63Å; V129-F171 HydrophobicContact CG2-CG 3.61Å; F132-F171 HydrophobicContact CB-CE1 4.21Å; F132-F171 HydrophobicContact CB-CZ 3.69Å; F132-F171 HydrophobicContact CD1-CE1 4.34Å; F132-F171 AromaticContact CD1-CZ 4Å; F132-F171 HydrophobicContact CD1-CZ 4Å; F132-F171 AromaticContact CD2-CE1 3.9Å; F132-F171 HydrophobicContact CD2-CE1 3.9Å; F132-F171 HydrophobicContact CD2-CZ 4.2Å; F132-F171 HydrophobicContact CE2-CE1 4.34Å; F132-F171 AromaticContact CG-CE1 3.9Å; F132-F171 HydrophobicContact CG-CE1 3.9Å; F132-F171 AromaticContact CG-CZ 3.7Å; F132-F171 HydrophobicContact CG-CZ 3.7Å; S168-F171 WeakPolarHBondContact O-CD2 3.41Å; S168-F171 PolarHBondContact O-N 3.44Å; S168-F171 VanDerWaalsContact O-N 3.14Å; W169-F171 PolarHBondContact O-N 3.23Å
172Y97.6Very high95.3Very high5 Ų536 Ų362%0.0219%0.189CC..G310 helixtrans-92.6-18.2179.1-61.5-71.3000113.3E91 V122 C125 V129 W169 I170 P174 M175 F184 I188E91-Y172 HydrophobicContact CG-CD2 4.09Å; E91-Y172 WeakPolarHBondContact OE2-CD2 3.29Å; E91-Y172 VanDerWaalsContact OE2-CE2 3.23Å; E91-Y172 WeakPolarHBondContact OE2-CE2 3.1Å; V122-Y172 HydrophobicContact CG1-CE1 4.27Å; C125-Y172 HydrophobicContact CB-CD1 3.36Å; C125-Y172 HydrophobicContact CB-CE1 3.38Å; C125-Y172 HydrophobicContact CB-CG 4.34Å; V129-Y172 HydrophobicContact CG2-CE2 3.99Å; W169-Y172 PolarHBondContact O-N 2.86Å; I170-Y172 PolarHBondContact O-N 2.97Å; Y172-P174 VanDerWaalsContact C-N 3.35Å; Y172-M175 WeakPolarHBondContact O-CB 3.45Å; Y172-M175 PolarHBondContact O-N 3.31Å; Y172-F184 AromaticContact CD1-CE2 3.77Å; Y172-F184 HydrophobicContact CD1-CE2 3.77Å; Y172-F184 HydrophobicContact CD1-CZ 4.3Å; Y172-F184 HydrophobicContact CD2-CZ 4.49Å; Y172-F184 AromaticContact CG-CE2 3.86Å; Y172-F184 HydrophobicContact CG-CE2 3.86Å; Y172-F184 AromaticContact CG-CZ 3.97Å; Y172-F184 HydrophobicContact CG-CZ 3.97Å; Y172-I188 HydrophobicContact CD1-CD1 4.39Å; Y172-I188 HydrophobicContact CE1-CD1 3.73Å; Y172-I188 HydrophobicContact CE2-CD1 3.9Å; Y172-I188 VanDerWaalsContact CZ-CD1 3.45Å; Y172-I188 WeakPolarHBondContact OH-CD1 3.3Å
173L97.6Very high95.4Very high32 Ų3233.5 Ų33.517%0.16818%0.176CC..G310 helixtrans-57.1-35.6-176.4-61.9-171.2000115.2A94 V98 W169 I170 M175 A176A94-L173 HydrophobicContact CB-CD2 3.91Å; V98-L173 HydrophobicContact CG2-CB 4.48Å; V98-L173 HydrophobicContact CG2-CD1 4.19Å; V98-L173 HydrophobicContact CG2-CD2 4.04Å; V98-L173 HydrophobicContact CG2-CG 4.47Å; W169-L173 HydrophobicContact CE3-CD1 3.75Å; W169-L173 HydrophobicContact CE3-CD2 4.37Å; W169-L173 HydrophobicContact CE3-CG 4.2Å; W169-L173 HydrophobicContact CZ3-CD1 3.61Å; I170-L173 PolarHBondContact O-N 3.42Å; L173-M175 PolarHBondContact O-N 3.4Å; L173-A176 WeakPolarHBondContact O-CB 3.49Å; L173-A176 PolarHBondContact O-N 3.37Å
174P97.6Very high95.6Very high87 Ų8732.3 Ų32.357%0.56517%0.169SC*.G310 helixtrans-57.7-29.5175.4-27.136.8000113.5Y172 A176 L177Y172-P174 VanDerWaalsContact C-N 3.35Å; P174-A176 VanDerWaalsContact C-N 3.31Å; P174-A176 PolarHBondContact O-N 3.01Å; P174-L177 WeakPolarHBondContact O-CB 3.36Å; P174-L177 WeakPolarHBondContact O-CG 3.37Å; P174-L177 PolarHBondContact O-N 2.9Å
175M98.3Very high95.9Very high21 Ų2131.2 Ų31.210%0.10317%0.165CC..G310 helixtrans-69.5-29.6177.5-63.1-174.166.400112.5Y95 T118 V122 Y172 L173 L177 A178 V179Y95-M175 HydrophobicContact CE2-CB 4Å; Y95-M175 VanDerWaalsContact OH-C 3.26Å; Y95-M175 PolarHBondContact OH-O 3.02Å; T118-M175 HydrophobicContact CG2-CE 4.05Å; V122-M175 HydrophobicContact CG2-CE 3.93Å; V122-M175 HydrophobicContact CG2-SD 4Å; Y172-M175 WeakPolarHBondContact O-CB 3.45Å; Y172-M175 PolarHBondContact O-N 3.31Å; L173-M175 PolarHBondContact O-N 3.4Å; M175-L177 PolarHBondContact O-N 3.02Å; M175-A178 PolarHBondContact O-N 3.1Å; M175-V179 HydrophobicContact CE-CG2 4.05Å; M175-V179 WeakPolarHBondContact O-CB 3.27Å; M175-V179 PolarHBondContact O-N 3.48Å
176A98.2Very high96.4Very high0 Ų029.4 Ų29.40%016%0.157CC..G310 helixtrans-65-6.3177.100000113.2Y95 V98 W99 L173 P174 A178Y95-A176 HydrophobicContact CD1-CB 3.84Å; Y95-A176 HydrophobicContact CD2-CB 3.91Å; Y95-A176 HydrophobicContact CE1-CB 3.65Å; Y95-A176 HydrophobicContact CE2-CB 3.76Å; Y95-A176 HydrophobicContact CG-CB 3.95Å; Y95-A176 VanDerWaalsContact CZ-CA 3.43Å; Y95-A176 WeakPolarHBondContact OH-CA 3.16Å; Y95-A176 PolarHBondContact OH-N 3.4Å; V98-A176 HydrophobicContact CB-CB 3.87Å; V98-A176 HydrophobicContact CG1-CB 3.73Å; W99-A176 HydrophobicContact CB-CB 4.48Å; W99-A176 VanDerWaalsContact CE3-O 3.23Å; L173-A176 WeakPolarHBondContact O-CB 3.49Å; L173-A176 PolarHBondContact O-N 3.37Å; P174-A176 VanDerWaalsContact C-N 3.31Å; P174-A176 PolarHBondContact O-N 3.01Å; A176-A178 VanDerWaalsContact C-N 3.28Å
177L98.3Very high96.7Very high61 Ų6125.9 Ų25.932%0.31914%0.141SC..G310 helixtrans-76.9-14.3171.7-58179.5000113.3V98 F102 L104 L105 P174 M175V98-L177 HydrophobicContact CG1-CD2 4.11Å; F102-L177 HydrophobicContact CB-CD2 4.29Å; F102-L177 VanDerWaalsContact O-CD2 3.28Å; F102-L177 WeakPolarHBondContact O-CD2 3.42Å; L104-L177 HydrophobicContact CD1-CD1 4.44Å; L104-L177 HydrophobicContact CG-CB 4.49Å; L104-L177 PolarHBondContact N-O 3.11Å; L105-L177 PolarHBondContact N-O 3.31Å; L105-L177 VanDerWaalsContact N-O 3.07Å; P174-L177 WeakPolarHBondContact O-CB 3.36Å; P174-L177 WeakPolarHBondContact O-CG 3.37Å; P174-L177 PolarHBondContact O-N 2.9Å; M175-L177 PolarHBondContact O-N 3.02Å
178A98.3Very high97Very high28 Ų2825.9 Ų25.923%0.23114%0.14CC..THydrogen-bonded Turntrans-143.5-32.4-173.700000115.3L105 L107 M175 A176L105-A178 HydrophobicContact CB-CB 4.3Å; L105-A178 WeakPolarHBondContact O-CA 3.26Å; L107-A178 WeakPolarHBondContact CB-O 3.41Å; L107-A178 HydrophobicContact CD1-CB 4.34Å; L107-A178 VanDerWaalsContact CG-O 3.31Å; L107-A178 WeakPolarHBondContact CG-O 3.41Å; L107-A178 PolarHBondContact N-O 3.05Å; M175-A178 PolarHBondContact O-N 3.1Å; A176-A178 VanDerWaalsContact C-N 3.28Å
179V98.4Very high97.3Very high11 Ų1126.4 Ų26.47%0.06714%0.141CC..SBendtrans-97.7124.8-170.4171.20000111.8Y95 W99 L107 T118 M175 F184Y95-V179 WeakPolarHBondContact OH-CB 3.35Å; Y95-V179 PolarHBondContact OH-O 2.92Å; W99-V179 VanDerWaalsContact CE3-O 3.3Å; W99-V179 WeakPolarHBondContact CZ3-O 3.4Å; L107-V179 HydrophobicContact CD1-CG2 4.13Å; T118-V179 HydrophobicContact CG2-CG1 3.7Å; T118-V179 VanDerWaalsContact OG1-CG1 3.23Å; T118-V179 WeakPolarHBondContact OG1-CG1 3.48Å; M175-V179 HydrophobicContact CE-CG2 4.05Å; M175-V179 WeakPolarHBondContact O-CB 3.27Å; M175-V179 PolarHBondContact O-N 3.48Å; V179-F184 HydrophobicContact CG1-CB 4.28Å
180P98.1Very high97.6Very high7 Ų722.7 Ų22.75%0.04513%0.127CC..  trans-54.8138.2177-27.734.1000113.3W99 L107 W109 S182 V183 F184W99-P180 HydrophobicContact CH2-CB 4.3Å; W99-P180 HydrophobicContact CH2-CG 4.02Å; W99-P180 HydrophobicContact CZ2-CB 4.38Å; W99-P180 HydrophobicContact CZ2-CG 4.43Å; L107-P180 WeakPolarHBondContact O-CD 3.3Å; L107-P180 WeakPolarHBondContact O-CG 3.42Å; W109-P180 HydrophobicContact CB-CB 4.28Å; W109-P180 HydrophobicContact CB-CG 4.19Å; P180-S182 PolarHBondContact O-N 2.83Å; P180-V183 HydrophobicContact CB-CG2 4.2Å; P180-V183 HydrophobicContact CG-CG2 4.5Å; P180-V183 PolarHBondContact O-N 3.15Å; P180-F184 PolarHBondContact O-N 3.11Å; P180-F184 VanDerWaalsContact O-N 3.07Å
181P98.1Very high97.7Very high9 Ų918.2 Ų18.26%0.05810%0.104CC..Hα-helixtrans-58.6-32-177.7-27.935.4000114.3V31 Y95 L96 W99 A185V31-P181 HydrophobicContact CG2-CB 3.59Å; Y95-P181 HydrophobicContact CD1-CB 4.16Å; Y95-P181 HydrophobicContact CD1-CG 4.17Å; Y95-P181 HydrophobicContact CE1-CB 4.24Å; Y95-P181 HydrophobicContact CE1-CG 4.11Å; L96-P181 HydrophobicContact CD2-CB 3.58Å; L96-P181 HydrophobicContact CD2-CG 3.72Å; L96-P181 HydrophobicContact CG-CB 4.41Å; W99-P181 HydrophobicContact CB-CG 3.86Å; W99-P181 VanDerWaalsContact CD2-CD 3.47Å; W99-P181 HydrophobicContact CD2-CG 3.84Å; W99-P181 VanDerWaalsContact CE2-CD 3.47Å; W99-P181 HydrophobicContact CG-CG 3.44Å; W99-P181 VanDerWaalsContact CG-CG 3.44Å; P181-A185 WeakPolarHBondContact O-CB 3.39Å; P181-A185 PolarHBondContact O-N 2.95Å
182S97.9Very high97.6Very high2 Ų220 Ų201%0.01412%0.115CC..Hα-helixtrans-64.9-46.4177.655.30000111.9F28 P180 A185 V186F28-S182 WeakPolarHBondContact O-CB 3.46Å; F28-S182 PolarHBondContact O-OG 3.2Å; P180-S182 PolarHBondContact O-N 2.83Å; S182-A185 PolarHBondContact O-N 2.94Å; S182-V186 WeakPolarHBondContact O-CG2 3.48Å; S182-V186 PolarHBondContact O-N 3.26Å; S182-V186 VanDerWaalsContact O-N 3.08Å
183V98.2Very high97.5Very high0 Ų019.8 Ų19.80%011%0.114CC..Hα-helixtrans-67.4-39.5178.2-170.60000110.4W109 T114 T118 P180 V186 H187W109-V183 HydrophobicContact CB-CG2 4.13Å; T114-V183 HydrophobicContact CG2-CG2 4.5Å; T118-V183 HydrophobicContact CG2-CG1 3.96Å; T118-V183 WeakPolarHBondContact OG1-CG1 3.27Å; P180-V183 HydrophobicContact CB-CG2 4.2Å; P180-V183 HydrophobicContact CG-CG2 4.5Å; P180-V183 PolarHBondContact O-N 3.15Å; V183-V186 PolarHBondContact O-N 3.29Å; V183-H187 PolarHBondContact O-N 2.87Å; V183-H187 VanDerWaalsContact O-N 3.17Å; V183-H187 PolarHBondContact O-ND1 2.91Å
184F98.2Very high97.5Very high1 Ų118.8 Ų18.80%0.00411%0.109CC..Hα-helixtrans-59.4-48.4171.3170.1-104.8000112E91 Y95 V122 Y172 V179 P180 V186 H187 I188E91-F184 HydrophobicContact CG-CZ 4.2Å; Y95-F184 AromaticContact CD1-CD1 3.97Å; Y95-F184 HydrophobicContact CD1-CD1 3.97Å; Y95-F184 HydrophobicContact CD1-CE1 4.5Å; Y95-F184 HydrophobicContact CD1-CG 4.39Å; Y95-F184 AromaticContact CD2-CD1 3.63Å; Y95-F184 HydrophobicContact CD2-CD1 3.63Å; Y95-F184 HydrophobicContact CD2-CD2 4.07Å; Y95-F184 AromaticContact CD2-CE1 3.57Å; Y95-F184 HydrophobicContact CD2-CE1 3.57Å; Y95-F184 HydrophobicContact CD2-CE2 4.02Å; Y95-F184 AromaticContact CD2-CG 3.9Å; Y95-F184 HydrophobicContact CD2-CG 3.9Å; Y95-F184 AromaticContact CD2-CZ 3.78Å; Y95-F184 HydrophobicContact CD2-CZ 3.78Å; Y95-F184 HydrophobicContact CE1-CB 4.01Å; Y95-F184 HydrophobicContact CE1-CD1 4.12Å; Y95-F184 HydrophobicContact CE1-CG 4.08Å; Y95-F184 HydrophobicContact CE2-CB 4.13Å; Y95-F184 AromaticContact CE2-CD1 3.77Å; Y95-F184 HydrophobicContact CE2-CD1 3.77Å; Y95-F184 AromaticContact CE2-CD2 3.56Å; Y95-F184 HydrophobicContact CE2-CD2 3.56Å; Y95-F184 HydrophobicContact CE2-CE1 4.06Å; Y95-F184 AromaticContact CE2-CE2 3.87Å; Y95-F184 HydrophobicContact CE2-CE2 3.87Å; Y95-F184 AromaticContact CE2-CG 3.52Å; Y95-F184 HydrophobicContact CE2-CG 3.52Å; Y95-F184 HydrophobicContact CE2-CZ 4.11Å; Y95-F184 AromaticContact CG-CD1 3.73Å; Y95-F184 HydrophobicContact CG-CD1 3.73Å; Y95-F184 AromaticContact CG-CE1 3.81Å; Y95-F184 HydrophobicContact CG-CE1 3.81Å; Y95-F184 HydrophobicContact CG-CG 4.31Å; Y95-F184 HydrophobicContact CG-CZ 4.46Å; Y95-F184 AromaticContact CZ-CG 3.62Å; V122-F184 HydrophobicContact CG2-CD2 3.84Å; V122-F184 HydrophobicContact CG2-CE2 4.12Å; Y172-F184 AromaticContact CD1-CE2 3.77Å; Y172-F184 HydrophobicContact CD1-CE2 3.77Å; Y172-F184 HydrophobicContact CD1-CZ 4.3Å; Y172-F184 HydrophobicContact CD2-CZ 4.49Å; Y172-F184 AromaticContact CG-CE2 3.86Å; Y172-F184 HydrophobicContact CG-CE2 3.86Å; Y172-F184 AromaticContact CG-CZ 3.97Å; Y172-F184 HydrophobicContact CG-CZ 3.97Å; V179-F184 HydrophobicContact CG1-CB 4.28Å; P180-F184 PolarHBondContact O-N 3.11Å; P180-F184 VanDerWaalsContact O-N 3.07Å; F184-V186 PolarHBondContact O-N 2.59Å; F184-H187 PolarHBondContact O-N 2.94Å; F184-H187 VanDerWaalsContact O-N 3.12Å; F184-I188 HydrophobicContact CE2-CB 4.45Å; F184-I188 HydrophobicContact CE2-CD1 4.49Å; F184-I188 HydrophobicContact CZ-CB 4.36Å; F184-I188 HydrophobicContact CZ-CD1 4.45Å; F184-I188 HydrophobicContact CZ-CG1 4.38Å; F184-I188 WeakPolarHBondContact O-CG2 3.29Å; F184-I188 PolarHBondContact O-N 3.49Å
185A97.4Very high97.4Very high8 Ų815.4 Ų15.47%0.0669%0.085CC..Hα-helixtrans-63-28-179.500000113.5V31 V34 L92 P181 S182 I188 Q189V31-A185 HydrophobicContact CG1-CB 4.37Å; V34-A185 HydrophobicContact CG1-CB 4.46Å; V34-A185 HydrophobicContact CG2-CB 4.38Å; L92-A185 HydrophobicContact CD1-CB 4.38Å; P181-A185 WeakPolarHBondContact O-CB 3.39Å; P181-A185 PolarHBondContact O-N 2.95Å; S182-A185 PolarHBondContact O-N 2.94Å; A185-I188 WeakPolarHBondContact O-CG2 3.29Å; A185-Q189 WeakPolarHBondContact O-CG 3.31Å; A185-Q189 PolarHBondContact O-NE2 2.8Å; A185-Q189 VanDerWaalsContact O-NE2 3.09Å
186V97.5Very high97.3Very high0 Ų014.7 Ų14.70%08%0.081CC..Hα-helixtrans-68.6-55.8170170.90000109.9S26 F28 V34 Y37 S182 V183 F184 I188 Q189 L190S26-V186 VanDerWaalsContact O-CG2 3.3Å; S26-V186 WeakPolarHBondContact O-CG2 3.35Å; F28-V186 HydrophobicContact CD2-CG2 3.84Å; F28-V186 HydrophobicContact CE2-CG2 4.02Å; V34-V186 HydrophobicContact CB-CG2 4.5Å; V34-V186 HydrophobicContact CG1-CG2 3.66Å; V34-V186 HydrophobicContact CG2-CG2 4.05Å; Y37-V186 HydrophobicContact CE2-CG1 4.22Å; Y37-V186 HydrophobicContact CE2-CG2 4.31Å; S182-V186 WeakPolarHBondContact O-CG2 3.48Å; S182-V186 PolarHBondContact O-N 3.26Å; S182-V186 VanDerWaalsContact O-N 3.08Å; V183-V186 PolarHBondContact O-N 3.29Å; F184-V186 PolarHBondContact O-N 2.59Å; V186-I188 PolarHBondContact O-N 2.94Å; V186-Q189 WeakPolarHBondContact O-CB 3.47Å; V186-Q189 PolarHBondContact O-N 2.97Å; V186-Q189 VanDerWaalsContact O-N 3.16Å; V186-L190 HydrophobicContact CG1-CD1 3.84Å; V186-L190 HydrophobicContact CG1-CG 4.22Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.36Å
187H98Very high97.2Very high2 Ų216.2 Ų16.21%0.0099%0.087CC..Hα-helixtrans-68.2-33.6-170.9-74.987000113.7F19 W115 T118 F119 V122 V183 F184 Q189 L190 N191F19-H187 AromaticContact CZ-CD2 3.69Å; F19-H187 AromaticContact CZ-NE2 3.91Å; W115-H187 AromaticContact CD1-CE1 3.55Å; W115-H187 AromaticContact CD2-CE1 3.59Å; W115-H187 AromaticContact CD2-NE2 3.41Å; W115-H187 AromaticContact CE2-CE1 3.56Å; W115-H187 AromaticContact CE2-NE2 3.41Å; W115-H187 AromaticContact CE3-NE2 3.73Å; W115-H187 AromaticContact CG-CE1 3.61Å; W115-H187 AromaticContact CG-NE2 3.93Å; W115-H187 AromaticContact CZ2-NE2 3.77Å; W115-H187 AromaticContact NE1-CE1 3.51Å; W115-H187 AromaticContact NE1-NE2 3.86Å; W115-H187 PolarHBondContact O-CE1 3.46Å; W115-H187 VanDerWaalsContact O-CE1 3.3Å; W115-H187 PolarHBondContact O-NE2 3.24Å; T118-H187 HydrophobicContact CG2-CB 3.93Å; F119-H187 WeakPolarHBondContact CA-CD2 3.32Å; F119-H187 PolarHBondContact N-CD2 2.57Å; V122-H187 HydrophobicContact CB-CB 4.16Å; V122-H187 HydrophobicContact CG1-CB 4.38Å; V122-H187 HydrophobicContact CG2-CB 3.81Å; V183-H187 PolarHBondContact O-N 2.87Å; V183-H187 VanDerWaalsContact O-N 3.17Å; V183-H187 PolarHBondContact O-ND1 2.91Å; F184-H187 PolarHBondContact O-N 2.94Å; F184-H187 VanDerWaalsContact O-N 3.12Å; H187-Q189 VanDerWaalsContact C-N 3.29Å; H187-Q189 PolarHBondContact O-N 2.86Å; H187-L190 PolarHBondContact O-N 3.08Å; H187-N191 VanDerWaalsContact O-CB 3.29Å; H187-N191 WeakPolarHBondContact O-CB 3.35Å; H187-N191 PolarHBondContact O-N 2.99Å
188I96.1Very high97.1Very high30 Ų3013.3 Ų13.315%0.1547%0.072CC..Hα-helixtrans-64.1-36.9175-163.366.8000111.7E91 V122 Y172 F184 A185 V186 L192E91-I188 VanDerWaalsContact OE1-CG1 3.3Å; E91-I188 WeakPolarHBondContact OE1-CG1 3.39Å; V122-I188 HydrophobicContact CG1-CD1 4.05Å; Y172-I188 HydrophobicContact CD1-CD1 4.39Å; Y172-I188 HydrophobicContact CE1-CD1 3.73Å; Y172-I188 HydrophobicContact CE2-CD1 3.9Å; Y172-I188 VanDerWaalsContact CZ-CD1 3.45Å; Y172-I188 WeakPolarHBondContact OH-CD1 3.3Å; F184-I188 HydrophobicContact CE2-CB 4.45Å; F184-I188 HydrophobicContact CE2-CD1 4.49Å; F184-I188 HydrophobicContact CZ-CB 4.36Å; F184-I188 HydrophobicContact CZ-CD1 4.45Å; F184-I188 HydrophobicContact CZ-CG1 4.38Å; F184-I188 WeakPolarHBondContact O-CG2 3.29Å; F184-I188 PolarHBondContact O-N 3.49Å; A185-I188 WeakPolarHBondContact O-CG2 3.29Å; V186-I188 PolarHBondContact O-N 2.94Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L192 VanDerWaalsContact O-N 3.15Å
189Q96Very high97.1Very high23 Ų2312.1 Ų12.111%0.1076%0.062CC..Hα-helixtrans-70-44.5174.2-70.6-1768400111.4P35 Y37 V38 A185 V186 H187 N191 L192 L193P35-Q189 PolarHBondContact O-NE2 3.48Å; P35-Q189 VanDerWaalsContact O-NE2 3.16Å; P35-Q189 PolarHBondContact O-OE1 3.22Å; Y37-Q189 HydrophobicContact CD2-CB 4.43Å; V38-Q189 HydrophobicContact CG2-CB 4.22Å; V38-Q189 HydrophobicContact CG2-CG 4.15Å; A185-Q189 WeakPolarHBondContact O-CG 3.31Å; A185-Q189 PolarHBondContact O-NE2 2.8Å; A185-Q189 VanDerWaalsContact O-NE2 3.09Å; V186-Q189 WeakPolarHBondContact O-CB 3.47Å; V186-Q189 PolarHBondContact O-N 2.97Å; V186-Q189 VanDerWaalsContact O-N 3.16Å; H187-Q189 VanDerWaalsContact C-N 3.29Å; H187-Q189 PolarHBondContact O-N 2.86Å; Q189-N191 VanDerWaalsContact C-N 3.31Å; Q189-N191 PolarHBondContact O-N 3.39Å; Q189-L192 PolarHBondContact O-N 3.25Å; Q189-L193 WeakPolarHBondContact O-CB 3.28Å; Q189-L193 WeakPolarHBondContact O-CG 3.17Å; Q189-L193 PolarHBondContact O-N 3.33Å
190L97.3Very high97Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-63.7-37.6178.5-63.6-176.8000112.1A16 F19 L21 W115 V186 H187 L193 Y194A16-L190 HydrophobicContact CB-CD2 3.73Å; F19-L190 HydrophobicContact CD2-CB 3.6Å; F19-L190 HydrophobicContact CD2-CD1 4.02Å; F19-L190 HydrophobicContact CD2-CG 4.41Å; F19-L190 HydrophobicContact CE2-CB 3.55Å; F19-L190 HydrophobicContact CE2-CD1 3.63Å; F19-L190 HydrophobicContact CE2-CG 4.25Å; F19-L190 HydrophobicContact CZ-CD1 4.13Å; L21-L190 HydrophobicContact CD1-CD2 3.97Å; W115-L190 HydrophobicContact CZ2-CD1 4.27Å; V186-L190 HydrophobicContact CG1-CD1 3.84Å; V186-L190 HydrophobicContact CG1-CG 4.22Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.36Å; H187-L190 PolarHBondContact O-N 3.08Å; L190-L193 HydrophobicContact CD2-CD1 4.49Å; L190-L193 PolarHBondContact O-N 3.49Å; L190-Y194 WeakPolarHBondContact O-CB 3.22Å; L190-Y194 PolarHBondContact O-N 2.83Å
191N97.4Very high96.8Very high5 Ų516.3 Ų16.33%0.0278%0.08CC..Hα-helixtrans-60.4-50.9173.3-169.6-79.2000111.6V122 D123 H187 Q189 L193 Y194 Q195 I237V122-N191 HydrophobicContact CG1-CB 4.06Å; D123-N191 PolarHBondContact OD1-ND2 3.43Å; H187-N191 VanDerWaalsContact O-CB 3.29Å; H187-N191 WeakPolarHBondContact O-CB 3.35Å; H187-N191 PolarHBondContact O-N 2.99Å; Q189-N191 VanDerWaalsContact C-N 3.31Å; Q189-N191 PolarHBondContact O-N 3.39Å; N191-L193 VanDerWaalsContact C-N 3.32Å; N191-L193 PolarHBondContact O-N 3.48Å; N191-Y194 PolarHBondContact O-N 3.42Å; N191-Q195 WeakPolarHBondContact O-CG 3.3Å; N191-Q195 PolarHBondContact O-N 3.38Å; N191-Q195 PolarHBondContact OD1-NE2 2.89Å; N191-I237 HydrophobicContact CB-CD1 4.38Å
192L94.6Very high96.7Very high88 Ų8818 Ų1846%0.4619%0.09SC..Hα-helixtrans-58.9-43.1176177.364.1000112.4V38 I188 Q189 Q195V38-L192 HydrophobicContact CG2-CD2 4.03Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L192 VanDerWaalsContact O-N 3.15Å; Q189-L192 PolarHBondContact O-N 3.25Å; L192-Q195 PolarHBondContact O-N 2.97Å
193L95.7Very high96.5Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-66.2-42.1-178.5-77.1178.2000112.6A16 M17 V38 A41 F45 Q189 L190 N191 Q195 F196A16-L193 HydrophobicContact CB-CD1 3.72Å; M17-L193 HydrophobicContact CG-CD2 4.48Å; V38-L193 HydrophobicContact CG2-CD2 4.25Å; V38-L193 HydrophobicContact CG2-CG 4.25Å; A41-L193 HydrophobicContact CB-CD2 3.51Å; F45-L193 HydrophobicContact CE1-CD2 3.93Å; F45-L193 HydrophobicContact CZ-CD2 3.49Å; F45-L193 VanDerWaalsContact CZ-CD2 3.49Å; Q189-L193 WeakPolarHBondContact O-CB 3.28Å; Q189-L193 WeakPolarHBondContact O-CG 3.17Å; Q189-L193 PolarHBondContact O-N 3.33Å; L190-L193 HydrophobicContact CD2-CD1 4.49Å; L190-L193 PolarHBondContact O-N 3.49Å; N191-L193 VanDerWaalsContact C-N 3.32Å; N191-L193 PolarHBondContact O-N 3.48Å; L193-Q195 VanDerWaalsContact C-N 3.27Å; L193-Q195 PolarHBondContact O-N 3.15Å; L193-F196 WeakPolarHBondContact O-CB 3.16Å; L193-F196 PolarHBondContact O-N 3.47Å
194Y97.3Very high96.3Very high12 Ų1229.9 Ų29.95%0.04714%0.139CC..Hα-helixtrans-59.3-40.9176-179.4-83.9000111.6M17 L190 N191 F196 W197 I198 N214 I237M17-Y194 VanDerWaalsContact O-CA 3.32Å; M17-Y194 WeakPolarHBondContact O-CA 3.39Å; L190-Y194 WeakPolarHBondContact O-CB 3.22Å; L190-Y194 PolarHBondContact O-N 2.83Å; N191-Y194 PolarHBondContact O-N 3.42Å; Y194-F196 PolarHBondContact O-N 3.33Å; Y194-F196 VanDerWaalsContact O-N 3.1Å; Y194-W197 AromaticContact CD2-NE1 3.59Å; Y194-W197 HydrophobicContact CE1-CZ2 4.42Å; Y194-W197 AromaticContact CE2-CZ2 3.94Å; Y194-W197 HydrophobicContact CE2-CZ2 3.94Å; Y194-W197 AromaticContact CE2-NE1 3.55Å; Y194-W197 AromaticContact CG-NE1 3.9Å; Y194-W197 AromaticContact CZ-CZ2 3.72Å; Y194-W197 AromaticContact CZ-NE1 3.81Å; Y194-W197 PolarHBondContact O-N 2.84Å; Y194-W197 PolarHBondContact O-NE1 2.86Å; Y194-W197 WeakPolarHBondContact OH-CZ2 3.34Å; Y194-I198 HydrophobicContact CE1-CG2 4.04Å; Y194-N214 WeakPolarHBondContact CE1-O 3.38Å; Y194-N214 PolarHBondContact OH-O 3.32Å; Y194-I237 HydrophobicContact CD1-CB 4.04Å; Y194-I237 HydrophobicContact CD1-CG1 3.66Å; Y194-I237 HydrophobicContact CD1-CG2 4.17Å; Y194-I237 HydrophobicContact CD2-CG1 4.33Å; Y194-I237 HydrophobicContact CD2-CG2 4.09Å; Y194-I237 HydrophobicContact CE1-CB 4.25Å; Y194-I237 HydrophobicContact CE1-CG1 4.37Å; Y194-I237 HydrophobicContact CE1-CG2 4.12Å; Y194-I237 HydrophobicContact CE2-CG2 4.02Å; Y194-I237 HydrophobicContact CG-CB 4.29Å; Y194-I237 HydrophobicContact CG-CD1 4.21Å; Y194-I237 HydrophobicContact CG-CG1 3.64Å; Y194-I237 HydrophobicContact CG-CG2 4.17Å
195Q96.7Very high96Very high15 Ų1534.1 Ų34.17%0.0716%0.162CC..Hα-helixtrans-66.6-13.8-177.8-69.2-174.568.400113.8Y126 N191 L192 L193 I198 H199Y126-Q195 VanDerWaalsContact CE1-NE2 3.34Å; Y126-Q195 VanDerWaalsContact CE1-OE1 3.24Å; Y126-Q195 VanDerWaalsContact CE2-NE2 3.28Å; Y126-Q195 VanDerWaalsContact CZ-CD 3.47Å; Y126-Q195 PolarHBondContact OH-OE1 3.44Å; N191-Q195 WeakPolarHBondContact O-CG 3.3Å; N191-Q195 PolarHBondContact O-N 3.38Å; N191-Q195 PolarHBondContact OD1-NE2 2.89Å; L192-Q195 PolarHBondContact O-N 2.97Å; L193-Q195 VanDerWaalsContact C-N 3.27Å; L193-Q195 PolarHBondContact O-N 3.15Å; Q195-I198 HydrophobicContact CB-CD1 4.37Å; Q195-I198 HydrophobicContact CG-CD1 4.37Å; Q195-I198 WeakPolarHBondContact O-CG1 3.45Å; Q195-H199 PolarHBondContact O-CE1 3.25Å; Q195-H199 PolarHBondContact O-ND1 3.25Å
196F96.6Very high95.9Very high6 Ų636.5 Ų36.53%0.02617%0.173CC..Hα-helixtrans-62.5-53.7176.5173.7-97.5000112.3M17 F45 L48 M49 L154 A157 L193 Y194 I198 H199M17-F196 HydrophobicContact CE-CD1 3.41Å; M17-F196 VanDerWaalsContact CE-CD1 3.41Å; M17-F196 HydrophobicContact CE-CE1 3.88Å; M17-F196 HydrophobicContact CE-CG 4.33Å; F45-F196 HydrophobicContact CB-CE1 4.34Å; F45-F196 HydrophobicContact CB-CE2 3.95Å; F45-F196 HydrophobicContact CB-CZ 3.77Å; F45-F196 AromaticContact CD1-CD1 3.72Å; F45-F196 HydrophobicContact CD1-CD1 3.72Å; F45-F196 HydrophobicContact CD1-CD2 4.02Å; F45-F196 AromaticContact CD1-CE1 3.77Å; F45-F196 HydrophobicContact CD1-CE1 3.77Å; F45-F196 HydrophobicContact CD1-CE2 4.09Å; F45-F196 AromaticContact CD1-CG 3.84Å; F45-F196 HydrophobicContact CD1-CG 3.84Å; F45-F196 AromaticContact CD1-CZ 3.96Å; F45-F196 HydrophobicContact CD1-CZ 3.96Å; F45-F196 HydrophobicContact CD2-CD2 4.1Å; F45-F196 HydrophobicContact CD2-CE2 4.13Å; F45-F196 HydrophobicContact CE1-CB 3.95Å; F45-F196 AromaticContact CE1-CD1 3.84Å; F45-F196 HydrophobicContact CE1-CD1 3.84Å; F45-F196 HydrophobicContact CE1-CD2 4.1Å; F45-F196 HydrophobicContact CE1-CE1 4.37Å; F45-F196 AromaticContact CE1-CG 3.68Å; F45-F196 HydrophobicContact CE1-CG 3.68Å; F45-F196 HydrophobicContact CE2-CD2 4.2Å; F45-F196 HydrophobicContact CG-CD1 4.41Å; F45-F196 HydrophobicContact CG-CD2 4.02Å; F45-F196 HydrophobicContact CG-CE1 4.21Å; F45-F196 AromaticContact CG-CE2 3.81Å; F45-F196 HydrophobicContact CG-CE2 3.81Å; F45-F196 HydrophobicContact CG-CG 4.31Å; F45-F196 AromaticContact CG-CZ 3.9Å; F45-F196 HydrophobicContact CG-CZ 3.9Å; F45-F196 HydrophobicContact CZ-CB 4.05Å; F45-F196 HydrophobicContact CZ-CD2 4.17Å; F45-F196 HydrophobicContact CZ-CG 4.03Å; L48-F196 HydrophobicContact CB-CE1 4.18Å; L48-F196 HydrophobicContact CD1-CE1 4Å; M49-F196 HydrophobicContact CG-CZ 4.15Å; L154-F196 HydrophobicContact CB-CE2 4.37Å; L154-F196 HydrophobicContact CB-CZ 3.95Å; L154-F196 HydrophobicContact CD1-CE1 4.24Å; L154-F196 HydrophobicContact CD1-CZ 4.29Å; L154-F196 HydrophobicContact CD2-CD1 4.24Å; L154-F196 HydrophobicContact CD2-CE1 3.86Å; L154-F196 HydrophobicContact CD2-CZ 4.09Å; L154-F196 WeakPolarHBondContact CD2-O 3.38Å; L154-F196 HydrophobicContact CG-CE1 4.45Å; L154-F196 HydrophobicContact CG-CZ 4.35Å; A157-F196 HydrophobicContact CB-CD2 3.66Å; A157-F196 HydrophobicContact CB-CE2 4.2Å; A157-F196 HydrophobicContact CB-CG 4.46Å; L193-F196 WeakPolarHBondContact O-CB 3.16Å; L193-F196 PolarHBondContact O-N 3.47Å; Y194-F196 PolarHBondContact O-N 3.33Å; Y194-F196 VanDerWaalsContact O-N 3.1Å; F196-I198 VanDerWaalsContact C-N 3.28Å; F196-I198 PolarHBondContact O-N 3.07Å; F196-H199 PolarHBondContact O-N 3.04Å; F196-H199 PolarHBondContact O-ND1 2.87Å
197W95.1Very high95.9Very high32 Ų3237.9 Ų37.912%0.12119%0.187CC..Hα-helixtrans-74.8-16.4-166.674.9-92.1000114F18 Y194 H199 I203 L206 P216F18-W197 AromaticContact CD1-CD1 3.93Å; F18-W197 HydrophobicContact CD1-CD2 4.4Å; F18-W197 HydrophobicContact CD1-CG 4.27Å; F18-W197 AromaticContact CD1-NE1 3.91Å; F18-W197 HydrophobicContact CE1-CB 4.24Å; F18-W197 AromaticContact CE1-CD1 3.84Å; F18-W197 AromaticContact CE1-CD2 3.96Å; F18-W197 HydrophobicContact CE1-CD2 3.96Å; F18-W197 AromaticContact CE1-CG 3.75Å; F18-W197 HydrophobicContact CE1-CG 3.75Å; Y194-W197 AromaticContact CD2-NE1 3.59Å; Y194-W197 HydrophobicContact CE1-CZ2 4.42Å; Y194-W197 AromaticContact CE2-CZ2 3.94Å; Y194-W197 HydrophobicContact CE2-CZ2 3.94Å; Y194-W197 AromaticContact CE2-NE1 3.55Å; Y194-W197 AromaticContact CG-NE1 3.9Å; Y194-W197 AromaticContact CZ-CZ2 3.72Å; Y194-W197 AromaticContact CZ-NE1 3.81Å; Y194-W197 PolarHBondContact O-N 2.84Å; Y194-W197 PolarHBondContact O-NE1 2.86Å; Y194-W197 WeakPolarHBondContact OH-CZ2 3.34Å; W197-H199 PolarHBondContact O-N 3.39Å; W197-I203 HydrophobicContact CE3-CD1 4.28Å; W197-I203 HydrophobicContact CZ3-CD1 4.22Å; W197-L206 HydrophobicContact CH2-CD1 3.69Å; W197-L206 HydrophobicContact CZ3-CD1 4.06Å; W197-P216 HydrophobicContact CE3-CG 4.04Å; W197-P216 HydrophobicContact CH2-CG 4.45Å; W197-P216 VanDerWaalsContact CZ3-CD 3.47Å; W197-P216 HydrophobicContact CZ3-CG 3.61Å
198I97Very high95.8Very high0 Ų042.9 Ų42.90%022%0.219CC..THydrogen-bonded Turntrans-74-4176.159.9172.7000113.4Y152 Y194 Q195 F196 T200 N214 P216 H219Y152-I198 PolarHBondContact OH-O 2.78Å; Y194-I198 HydrophobicContact CE1-CG2 4.04Å; Q195-I198 HydrophobicContact CB-CD1 4.37Å; Q195-I198 HydrophobicContact CG-CD1 4.37Å; Q195-I198 WeakPolarHBondContact O-CG1 3.45Å; F196-I198 VanDerWaalsContact C-N 3.28Å; F196-I198 PolarHBondContact O-N 3.07Å; I198-T200 PolarHBondContact O-N 2.87Å; I198-N214 WeakPolarHBondContact CD1-ND2 3.41Å; I198-P216 VanDerWaalsContact O-CA 3.29Å; I198-P216 WeakPolarHBondContact O-CA 3.47Å; I198-H219 HydrophobicContact CB-CB 4.17Å; I198-H219 HydrophobicContact CD1-CB 4Å; I198-H219 HydrophobicContact CG1-CB 4.21Å
199H97.8Very high95.8Very high4 Ų445.9 Ų45.92%0.01924%0.236CC..  trans-88.868.2175.2-64.681.6000111.8H146 Y152 N153 L154 A157 Q195 F196 W197 H219 H223H146-H199 AromaticContact CE1-CD2 3.95Å; H146-H199 AromaticContact CE1-CE1 3.97Å; H146-H199 AromaticContact CE1-NE2 3.13Å; H146-H199 PolarHBondContact CE1-NE2 3.39Å; H146-H199 AromaticContact NE2-NE2 3.25Å; H146-H199 PolarHBondContact NE2-NE2 3.11Å; Y152-H199 AromaticContact CE2-CD2 3.94Å; N153-H199 CarbonylContact C-O 3.57Å; N153-H199 WeakPolarHBondContact CA-O 3.42Å; L154-H199 WeakPolarHBondContact CA-O 3.46Å; L154-H199 PolarHBondContact N-O 2.69Å; A157-H199 HydrophobicContact CB-CB 4.11Å; Q195-H199 PolarHBondContact O-CE1 3.25Å; Q195-H199 PolarHBondContact O-ND1 3.25Å; F196-H199 PolarHBondContact O-N 3.04Å; F196-H199 PolarHBondContact O-ND1 2.87Å; W197-H199 PolarHBondContact O-N 3.39Å; H199-H219 AromaticContact CD2-CD2 3.71Å; H199-H219 AromaticContact CD2-NE2 3.7Å; H199-H219 AromaticContact CE1-CD2 3.54Å; H199-H219 AromaticContact CE1-NE2 3.22Å; H199-H219 PolarHBondContact CE1-NE2 3.13Å; H199-H219 AromaticContact ND1-CD2 3.9Å; H199-H219 AromaticContact NE2-CD2 3.43Å; H199-H219 PolarHBondContact NE2-CD2 2.92Å; H199-H219 AromaticContact NE2-NE2 2.97Å; H199-H219 PolarHBondContact NE2-NE2 2.91Å; H199-H223 AromaticContact CD2-NE2 3.73Å; H199-H223 AromaticContact NE2-CE1 3.98Å; H199-H223 AromaticContact NE2-NE2 3.39Å; H199-H223 PolarHBondContact NE2-NE2 3.27Å
200T96Very high95.8Very high7 Ų745.6 Ų45.64%0.04323%0.234CC..  trans-151.2148.1177.9-172.80000113E52 I198 V202 I203 P216 R220E52-T200 WeakPolarHBondContact OE1-CA 3.28Å; E52-T200 WeakPolarHBondContact OE1-CB 3.41Å; E52-T200 PolarHBondContact OE1-OG1 3.2Å; I198-T200 PolarHBondContact O-N 2.87Å; T200-V202 WeakPolarHBondContact OG1-CB 3.48Å; T200-V202 PolarHBondContact OG1-N 3.12Å; T200-V202 VanDerWaalsContact OG1-N 3.08Å; T200-I203 HydrophobicContact CG2-CB 4.05Å; T200-I203 HydrophobicContact CG2-CD1 4.13Å; T200-I203 HydrophobicContact CG2-CG1 4.08Å; T200-P216 HydrophobicContact CG2-CB 3.83Å; T200-P216 HydrophobicContact CG2-CG 3.85Å; T200-R220 PolarHBondContact O-NH1 2.98Å; T200-R220 VanDerWaalsContact O-NH1 3.15Å
201E94.7Very high95.8Very high99 Ų9953.8 Ų53.846%0.46327%0.265SS..SBendtrans-93.5-11.8167.8-61.7-166.399.700112.8Y152 Y257Y152-E201 HydrophobicContact CD1-CG 3.88Å; Y152-E201 WeakPolarHBondContact O-CG 3.38Å; E201-Y257 VanDerWaalsContact OE1-CE2 3.3Å; E201-Y257 WeakPolarHBondContact OE1-CE2 3.36Å; E201-Y257 PolarHBondContact OE1-OH 3Å
202V94.7Very high95.8Very high44 Ų4457.7 Ų57.727%0.26729%0.285SS..SBendtrans-67.3-42.4-177.11750000111.1E52 V55 M59 T200E52-V202 HydrophobicContact CG-CG2 3.98Å; V55-V202 HydrophobicContact CG1-CG1 3.89Å; M59-V202 HydrophobicContact SD-CG1 3.91Å; T200-V202 WeakPolarHBondContact OG1-CB 3.48Å; T200-V202 PolarHBondContact OG1-N 3.12Å; T200-V202 VanDerWaalsContact OG1-N 3.08Å
203I94.5Very high96Very high62 Ų6257 Ų5732%0.31828%0.279SS..  trans-89.1109.4178.4-58.4173000108.7W197 T200 L206 P216 R220W197-I203 HydrophobicContact CE3-CD1 4.28Å; W197-I203 HydrophobicContact CZ3-CD1 4.22Å; T200-I203 HydrophobicContact CG2-CB 4.05Å; T200-I203 HydrophobicContact CG2-CD1 4.13Å; T200-I203 HydrophobicContact CG2-CG1 4.08Å; I203-L206 HydrophobicContact CG2-CD1 4.5Å; I203-L206 HydrophobicContact CG2-CD2 3.77Å; I203-L206 HydrophobicContact CG2-CG 4.05Å; I203-P216 HydrophobicContact CB-CB 4.32Å; I203-P216 HydrophobicContact CB-CG 3.93Å; I203-P216 HydrophobicContact CD1-CG 4.39Å; I203-P216 HydrophobicContact CG2-CG 4.01Å; I203-R220 PolarHBondContact O-NH1 3.29Å
204R92.9Very high96.1Very high190 Ų19057 Ų5772%0.71728%0.279SS*.  trans-90.1-40.5-173-61.4-168.572.6166.83.1114.1R220R204-R220 PolarHBondContact O-NH2 3.22Å
205D92.6Very high96.2Very high90 Ų9056.5 Ų56.548%0.48128%0.277SS..  trans-149.7137.6-173.1-167.3-92.9000110.6G207 E210 K217D205-G207 WeakPolarHBondContact OD1-CA 3.33Å; D205-G207 PolarHBondContact OD1-N 2.81Å; D205-E210 WeakPolarHBondContact CA-OE1 2.77Å; D205-K217 IonicContact OD2-NZ 2.76Å; D205-K217 PolarHBondContact OD2-NZ 2.74Å
206L96.4Very high96.2Very high58 Ų5855.8 Ų55.830%0.30427%0.274SS..  trans-117.515.6174.9-64.7-179.5000112.8W197 I203 L209 E210 T215W197-L206 HydrophobicContact CH2-CD1 3.69Å; W197-L206 HydrophobicContact CZ3-CD1 4.06Å; I203-L206 HydrophobicContact CG2-CD1 4.5Å; I203-L206 HydrophobicContact CG2-CD2 3.77Å; I203-L206 HydrophobicContact CG2-CG 4.05Å; L206-L209 HydrophobicContact CB-CB 4.32Å; L206-L209 PolarHBondContact O-N 3.15Å; L206-E210 HydrophobicContact CB-CG 4.22Å; L206-E210 PolarHBondContact N-OE1 3.44Å; L206-T215 HydrophobicContact CB-CG2 4.47Å; L206-T215 HydrophobicContact CD1-CG2 3.9Å
207G95.9Very high96.3Very high28 Ų2857.8 Ų57.829%0.28928%0.282SS..G310 helixtrans56-132.617700000112.9D205 L209 E210D205-G207 WeakPolarHBondContact OD1-CA 3.33Å; D205-G207 PolarHBondContact OD1-N 2.81Å; G207-L209 PolarHBondContact O-N 3.45Å; G207-E210 WeakPolarHBondContact O-CB 3.3Å; G207-E210 WeakPolarHBondContact O-CG 3.38Å; G207-E210 PolarHBondContact O-N 2.93Å; G207-E210 VanDerWaalsContact O-N 3.1Å
208P96.4Very high96.4Very high107 Ų10756.4 Ų56.470%0.69528%0.277SS*.G310 helixtrans-59.6-21.8-173.9-26.535.4000115.7E210 W211P208-E210 PolarHBondContact O-N 3Å; P208-W211 PolarHBondContact O-N 3.01Å; P208-W211 VanDerWaalsContact O-N 3.13Å
209L96.4Very high96.5Very high94 Ų9456.4 Ų56.449%0.49228%0.277SS..G310 helixtrans-62-25.3178.1-64.3179000112.1L206 G207 W211 I212 F213L206-L209 HydrophobicContact CB-CB 4.32Å; L206-L209 PolarHBondContact O-N 3.15Å; G207-L209 PolarHBondContact O-N 3.45Å; L209-W211 PolarHBondContact O-N 2.89Å; L209-I212 PolarHBondContact O-N 3.27Å; L209-I212 VanDerWaalsContact O-N 3.11Å; L209-F213 HydrophobicContact CB-CD2 4.31Å; L209-F213 HydrophobicContact CD2-CD2 4.3Å; L209-F213 HydrophobicContact CD2-CE2 4.28Å; L209-F213 PolarHBondContact O-N 3.33Å
210E96.5Very high96.5Very high16 Ų1656.6 Ų56.68%0.07528%0.277CS..G310 helixtrans-67.7-9.6177.5-63.8-174.9172.600113.9D205 L206 G207 P208 I212 T215 K217 H218 I239 R243D205-E210 WeakPolarHBondContact CA-OE1 2.77Å; L206-E210 HydrophobicContact CB-CG 4.22Å; L206-E210 PolarHBondContact N-OE1 3.44Å; G207-E210 WeakPolarHBondContact O-CB 3.3Å; G207-E210 WeakPolarHBondContact O-CG 3.38Å; G207-E210 PolarHBondContact O-N 2.93Å; G207-E210 VanDerWaalsContact O-N 3.1Å; P208-E210 PolarHBondContact O-N 3Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-T215 HydrophobicContact CB-CG2 4.48Å; E210-T215 HydrophobicContact CG-CG2 3.77Å; E210-K217 VanDerWaalsContact CD-CD 3.45Å; E210-K217 VanDerWaalsContact OE1-CD 3.23Å; E210-K217 WeakPolarHBondContact OE1-CD 3.07Å; E210-K217 IonicContact OE1-NZ 2.83Å; E210-K217 WeakPolarHBondContact OE2-CD 3.39Å; E210-K217 IonicContact OE2-NZ 2.71Å; E210-K217 PolarHBondContact OE2-NZ 3.32Å; E210-H218 PolarHBondContact O-CE1 3.46Å; E210-H218 PolarHBondContact O-NE2 2.83Å; E210-I239 WeakPolarHBondContact O-CG2 3.18Å; E210-R243 PolarHBondContact O-NH2 3.18Å
211W96.9Very high96.6Very high172 Ų17256.2 Ų56.265%0.65228%0.275SS*.G310 helixtrans-75.1-28.5171.8-71.898.4000112.5P208 L209 R243P208-W211 PolarHBondContact O-N 3.01Å; P208-W211 VanDerWaalsContact O-N 3.13Å; L209-W211 PolarHBondContact O-N 2.89Å; W211-R243 PolarHBondContact O-NE 3.49Å
212I97.9Very high96.8Very high88 Ų8851.8 Ų51.845%0.45126%0.255SS..THydrogen-bonded Turntrans-113.6-46.9-169.9-59.9173.7000111.1L209 E210 L238 I239 I240L209-I212 PolarHBondContact O-N 3.27Å; L209-I212 VanDerWaalsContact O-N 3.11Å; E210-I212 VanDerWaalsContact C-N 3.33Å; I212-L238 HydrophobicContact CG2-CD2 3.99Å; I212-L238 CarbonylContact O-C 3.49Å; I212-L238 WeakPolarHBondContact O-CA 3.42Å; I212-I239 PolarHBondContact O-N 3.43Å; I212-I240 HydrophobicContact CG2-CG2 4.4Å
213F98.2Very high97Very high73 Ų7349.9 Ų49.932%0.3224%0.243SC..BIsolated β-bridgetrans-95.2144.9-172.8-64.8-71.6000112.2L209 T215 H218 I237 L238 I239L209-F213 HydrophobicContact CB-CD2 4.31Å; L209-F213 HydrophobicContact CD2-CD2 4.3Å; L209-F213 HydrophobicContact CD2-CE2 4.28Å; L209-F213 PolarHBondContact O-N 3.33Å; F213-T215 HydrophobicContact CB-CG2 4.36Å; F213-T215 WeakPolarHBondContact O-CG2 3.45Å; F213-H218 PolarHBondContact O-CE1 2.78Å; F213-H218 PolarHBondContact O-ND1 3.13Å; F213-I237 CarbonylContact C-O 3.57Å; F213-I237 WeakPolarHBondContact CA-O 3.14Å; F213-I237 HydrophobicContact CD1-CG2 4.15Å; F213-I237 HydrophobicContact CE1-CG2 4.45Å; F213-L238 HydrophobicContact CD1-CD2 3.92Å; F213-L238 HydrophobicContact CE1-CD2 3.96Å; F213-I239 WeakPolarHBondContact O-CG2 3.31Å
214N98.4Very high97.1Very high0 Ų047.2 Ų47.20%023%0.231CC..  trans-68.1129.4159.7-170.911.5000107.7Y194 I198 H218 G235 G236 I237Y194-N214 WeakPolarHBondContact CE1-O 3.38Å; Y194-N214 PolarHBondContact OH-O 3.32Å; I198-N214 WeakPolarHBondContact CD1-ND2 3.41Å; N214-H218 VanDerWaalsContact OD1-CB 3.23Å; N214-H218 WeakPolarHBondContact OD1-CB 3.4Å; N214-G235 PolarHBondContact ND2-O 2.86Å; N214-G236 VanDerWaalsContact CB-O 3.31Å; N214-G236 WeakPolarHBondContact CB-O 3.33Å; N214-G236 PolarHBondContact ND2-O 2.99Å; N214-I237 PolarHBondContact N-O 3.1Å
215T98.1Very high97.2Very high1 Ų139.3 Ų39.31%0.00620%0.201CC..  trans-128.2168-17268.30000109.1L206 E210 F213 K217 H218 H219L206-T215 HydrophobicContact CB-CG2 4.47Å; L206-T215 HydrophobicContact CD1-CG2 3.9Å; E210-T215 HydrophobicContact CB-CG2 4.48Å; E210-T215 HydrophobicContact CG-CG2 3.77Å; F213-T215 HydrophobicContact CB-CG2 4.36Å; F213-T215 WeakPolarHBondContact O-CG2 3.45Å; T215-K217 PolarHBondContact O-N 2.69Å; T215-K217 VanDerWaalsContact O-N 3.08Å; T215-K217 PolarHBondContact OG1-N 2.74Å; T215-H218 PolarHBondContact N-ND1 3.47Å; T215-H218 PolarHBondContact O-N 3.25Å; T215-H218 VanDerWaalsContact O-N 3.1Å; T215-H218 PolarHBondContact OG1-ND1 3.29Å; T215-H219 PolarHBondContact O-N 3.31Å
216P97.9Very high97.4Very high1 Ų135.6 Ų35.61%0.00618%0.181CC..Hα-helixtrans-52.6-33.9175.3-24.931.3000113.7W197 I198 T200 I203 H219 R220W197-P216 HydrophobicContact CE3-CG 4.04Å; W197-P216 HydrophobicContact CH2-CG 4.45Å; W197-P216 VanDerWaalsContact CZ3-CD 3.47Å; W197-P216 HydrophobicContact CZ3-CG 3.61Å; I198-P216 VanDerWaalsContact O-CA 3.29Å; I198-P216 WeakPolarHBondContact O-CA 3.47Å; T200-P216 HydrophobicContact CG2-CB 3.83Å; T200-P216 HydrophobicContact CG2-CG 3.85Å; I203-P216 HydrophobicContact CB-CB 4.32Å; I203-P216 HydrophobicContact CB-CG 3.93Å; I203-P216 HydrophobicContact CD1-CG 4.39Å; I203-P216 HydrophobicContact CG2-CG 4.01Å; P216-H219 PolarHBondContact O-N 3.5Å; P216-R220 WeakPolarHBondContact O-CB 3.42Å; P216-R220 VanDerWaalsContact O-CG 3.31Å; P216-R220 WeakPolarHBondContact O-CG 3.48Å; P216-R220 PolarHBondContact O-N 2.93Å
217K97.4Very high97.3Very high47 Ų4738 Ų3820%0.20419%0.194CC..Hα-helixtrans-64.5-47.4177.2-166-171.3-175.9175.10113.3D205 E210 T215 H219 R220 V221 E251D205-K217 IonicContact OD2-NZ 2.76Å; D205-K217 PolarHBondContact OD2-NZ 2.74Å; E210-K217 VanDerWaalsContact CD-CD 3.45Å; E210-K217 VanDerWaalsContact OE1-CD 3.23Å; E210-K217 WeakPolarHBondContact OE1-CD 3.07Å; E210-K217 IonicContact OE1-NZ 2.83Å; E210-K217 WeakPolarHBondContact OE2-CD 3.39Å; E210-K217 IonicContact OE2-NZ 2.71Å; E210-K217 PolarHBondContact OE2-NZ 3.32Å; T215-K217 PolarHBondContact O-N 2.69Å; T215-K217 VanDerWaalsContact O-N 3.08Å; T215-K217 PolarHBondContact OG1-N 2.74Å; K217-H219 VanDerWaalsContact C-N 3.35Å; K217-R220 VanDerWaalsContact CA-NH2 3.33Å; K217-V221 PolarHBondContact O-N 3.49Å; K217-E251 HydrophobicContact CG-CB 4.02Å; K217-E251 WeakPolarHBondContact CG-OE2 3.37Å
218H98.4Very high97.2Very high4 Ų439.2 Ų39.22%0.01919%0.19CC..Hα-helixtrans-67.4-39.2176.4-58.6139.1000111.8E210 F213 N214 T215 V221 H222 N233 I239 F248E210-H218 PolarHBondContact O-CE1 3.46Å; E210-H218 PolarHBondContact O-NE2 2.83Å; F213-H218 PolarHBondContact O-CE1 2.78Å; F213-H218 PolarHBondContact O-ND1 3.13Å; N214-H218 VanDerWaalsContact OD1-CB 3.23Å; N214-H218 WeakPolarHBondContact OD1-CB 3.4Å; T215-H218 PolarHBondContact N-ND1 3.47Å; T215-H218 PolarHBondContact O-N 3.25Å; T215-H218 VanDerWaalsContact O-N 3.1Å; T215-H218 PolarHBondContact OG1-ND1 3.29Å; H218-V221 WeakPolarHBondContact O-CB 3.34Å; H218-V221 PolarHBondContact O-N 2.95Å; H218-H222 PolarHBondContact O-N 2.93Å; H218-N233 PolarHBondContact O-ND2 2.75Å; H218-I239 HydrophobicContact CB-CD1 3.94Å; H218-F248 AromaticContact CD2-CE2 3.65Å; H218-F248 AromaticContact NE2-CE2 3.64Å
219H98.4Very high97.3Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-74.4-28.8-176.8-15351000112.4Y152 I198 H199 T215 P216 K217 H222 H223Y152-H219 VanDerWaalsContact OH-C 3.25Å; Y152-H219 VanDerWaalsContact OH-CB 3.3Å; Y152-H219 WeakPolarHBondContact OH-CB 3.3Å; Y152-H219 PolarHBondContact OH-CD2 3Å; Y152-H219 PolarHBondContact OH-O 3.36Å; I198-H219 HydrophobicContact CB-CB 4.17Å; I198-H219 HydrophobicContact CD1-CB 4Å; I198-H219 HydrophobicContact CG1-CB 4.21Å; H199-H219 AromaticContact CD2-CD2 3.71Å; H199-H219 AromaticContact CD2-NE2 3.7Å; H199-H219 AromaticContact CE1-CD2 3.54Å; H199-H219 AromaticContact CE1-NE2 3.22Å; H199-H219 PolarHBondContact CE1-NE2 3.13Å; H199-H219 AromaticContact ND1-CD2 3.9Å; H199-H219 AromaticContact NE2-CD2 3.43Å; H199-H219 PolarHBondContact NE2-CD2 2.92Å; H199-H219 AromaticContact NE2-NE2 2.97Å; H199-H219 PolarHBondContact NE2-NE2 2.91Å; T215-H219 PolarHBondContact O-N 3.31Å; P216-H219 PolarHBondContact O-N 3.5Å; K217-H219 VanDerWaalsContact C-N 3.35Å; H219-H222 AromaticContact CE1-CD2 3.46Å; H219-H222 PolarHBondContact CE1-CD2 3.33Å; H219-H222 VanDerWaalsContact CE1-CD2 3.46Å; H219-H222 AromaticContact ND1-CD2 3.73Å; H219-H222 AromaticContact ND1-CG 3.98Å; H219-H222 WeakPolarHBondContact O-CB 3.19Å; H219-H222 PolarHBondContact O-N 3.36Å; H219-H223 AromaticContact CD2-CD2 3.62Å; H219-H223 AromaticContact CD2-NE2 3.68Å; H219-H223 AromaticContact CE1-CD2 3.64Å; H219-H223 AromaticContact CE1-NE2 3.49Å; H219-H223 PolarHBondContact CE1-NE2 3.37Å; H219-H223 AromaticContact NE2-CD2 3.31Å; H219-H223 PolarHBondContact NE2-CD2 2.97Å; H219-H223 VanDerWaalsContact NE2-CD2 3.31Å; H219-H223 AromaticContact NE2-NE2 2.97Å; H219-H223 PolarHBondContact NE2-NE2 3.27Å; H219-H223 PolarHBondContact O-CD2 3.22Å; H219-H223 PolarHBondContact O-N 2.77Å
220R98.2Very high97.2Very high7 Ų731 Ų313%0.02614%0.141CC..Hα-helixtrans-56.2-50.8165.3-80.9-170.3-58.8-88.16.4111.2Y152 T200 I203 R204 P216 K217 H222 H223 G224 E251 V255 Y257Y152-R220 HydrophobicContact CD1-CG 3.57Å; Y152-R220 HydrophobicContact CE1-CB 4.29Å; Y152-R220 HydrophobicContact CE1-CG 3.36Å; T200-R220 PolarHBondContact O-NH1 2.98Å; T200-R220 VanDerWaalsContact O-NH1 3.15Å; I203-R220 PolarHBondContact O-NH1 3.29Å; R204-R220 PolarHBondContact O-NH2 3.22Å; P216-R220 WeakPolarHBondContact O-CB 3.42Å; P216-R220 VanDerWaalsContact O-CG 3.31Å; P216-R220 WeakPolarHBondContact O-CG 3.48Å; P216-R220 PolarHBondContact O-N 2.93Å; K217-R220 VanDerWaalsContact CA-NH2 3.33Å; R220-H222 VanDerWaalsContact C-N 3.26Å; R220-H222 PolarHBondContact O-N 3.45Å; R220-H223 CarbonylContact O-C 2.88Å; R220-H223 PolarHBondContact O-N 2.71Å; R220-H223 VanDerWaalsContact O-N 3.15Å; R220-G224 PolarHBondContact O-N 3.03Å; R220-E251 IonicContact CZ-OE1 2.65Å; R220-E251 IonicContact CZ-OE2 3.57Å; R220-E251 IonicContact NE-OE1 3Å; R220-E251 PolarHBondContact NE-OE1 3.34Å; R220-E251 VanDerWaalsContact NE-OE1 3.15Å; R220-E251 IonicContact NE-OE2 3.9Å; R220-E251 PolarHBondContact NE-OE2 2.93Å; R220-E251 VanDerWaalsContact NE-OE2 3.12Å; R220-E251 IonicContact NH2-OE1 2.75Å; R220-E251 IonicContact NH2-OE2 2.71Å; R220-E251 PolarHBondContact NH2-OE2 3.29Å; R220-V255 HydrophobicContact CB-CG2 4.45Å; R220-V255 WeakPolarHBondContact O-CG1 3.38Å; R220-Y257 HydrophobicContact CB-CE1 4.36Å; R220-Y257 WeakPolarHBondContact CD-OH 3.27Å; R220-Y257 HydrophobicContact CG-CE1 4.36Å; R220-Y257 VanDerWaalsContact CG-OH 3.31Å; R220-Y257 WeakPolarHBondContact CG-OH 3.35Å
221V98.3Very high97.2Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-58.1-42.7177.1175.30000110.5K217 H218 H223 G224 Y228 C229 A249 E251K217-V221 PolarHBondContact O-N 3.49Å; H218-V221 WeakPolarHBondContact O-CB 3.34Å; H218-V221 PolarHBondContact O-N 2.95Å; V221-H223 VanDerWaalsContact C-N 3.34Å; V221-H223 PolarHBondContact O-N 2.5Å; V221-G224 PolarHBondContact O-N 3.19Å; V221-G224 VanDerWaalsContact O-N 3.12Å; V221-Y228 HydrophobicContact CG1-CD2 4.39Å; V221-Y228 HydrophobicContact CG1-CE2 4Å; V221-Y228 HydrophobicContact CG2-CE2 4.16Å; V221-C229 HydrophobicContact CG1-CB 4.36Å; V221-C229 WeakPolarHBondContact O-CB 3.49Å; V221-C229 PolarHBondContact O-SG 3.33Å; V221-C229 VanDerWaalsContact O-SG 3.37Å; V221-A249 HydrophobicContact CG1-CB 4Å; V221-E251 VanDerWaalsContact CG2-CA 3.41Å; V221-E251 HydrophobicContact CG2-CB 3.57Å; V221-E251 HydrophobicContact CG2-CG 3.99Å
222H98.6Very high97.3Very high5 Ų526.1 Ų26.12%0.02312%0.124CC..Hα-helixtrans-58.9-42.7176.7178.967.9000113H130 H134 H147 H218 H219 R220 G224 K232 N233 Y234H130-H222 AromaticContact CE1-CD2 3.7Å; H130-H222 AromaticContact CE1-CE1 3.26Å; H130-H222 PolarHBondContact CE1-CE1 3.44Å; H130-H222 AromaticContact CE1-NE2 3Å; H130-H222 PolarHBondContact CE1-NE2 3.21Å; H130-H222 AromaticContact NE2-CD2 3.98Å; H130-H222 AromaticContact NE2-CE1 3.31Å; H130-H222 PolarHBondContact NE2-CE1 2.97Å; H130-H222 VanDerWaalsContact NE2-CE1 3.31Å; H130-H222 AromaticContact NE2-NE2 2.93Å; H130-H222 PolarHBondContact NE2-NE2 3.25Å; H134-H222 AromaticContact CD2-CE1 3.79Å; H134-H222 AromaticContact CE1-CE1 3.4Å; H134-H222 PolarHBondContact CE1-CE1 3.3Å; H134-H222 VanDerWaalsContact CE1-CE1 3.4Å; H134-H222 AromaticContact CE1-NE2 3.63Å; H134-H222 AromaticContact NE2-CE1 3.06Å; H134-H222 PolarHBondContact NE2-CE1 2.92Å; H134-H222 AromaticContact NE2-NE2 3.21Å; H134-H222 PolarHBondContact NE2-NE2 2.77Å; H147-H222 AromaticContact CE1-CD2 3.45Å; H147-H222 PolarHBondContact CE1-CD2 3.13Å; H147-H222 VanDerWaalsContact CE1-CD2 3.45Å; H147-H222 AromaticContact CE1-NE2 3.18Å; H147-H222 PolarHBondContact CE1-NE2 3.11Å; H147-H222 PolarHBondContact CE1-O 3.27Å; H147-H222 AromaticContact NE2-CD2 3.89Å; H147-H222 AromaticContact NE2-NE2 3.23Å; H147-H222 PolarHBondContact NE2-NE2 3.34Å; H218-H222 PolarHBondContact O-N 2.93Å; H219-H222 AromaticContact CE1-CD2 3.46Å; H219-H222 PolarHBondContact CE1-CD2 3.33Å; H219-H222 VanDerWaalsContact CE1-CD2 3.46Å; H219-H222 AromaticContact ND1-CD2 3.73Å; H219-H222 AromaticContact ND1-CG 3.98Å; H219-H222 WeakPolarHBondContact O-CB 3.19Å; H219-H222 PolarHBondContact O-N 3.36Å; R220-H222 VanDerWaalsContact C-N 3.26Å; R220-H222 PolarHBondContact O-N 3.45Å; H222-G224 VanDerWaalsContact C-N 3.27Å; H222-G224 PolarHBondContact O-N 2.94Å; H222-K232 PolarHBondContact ND1-O 3.11Å; H222-N233 HydrophobicContact CB-CB 4.07Å; H222-N233 PolarHBondContact ND1-O 2.98Å; H222-N233 VanDerWaalsContact ND1-O 3.1Å; H222-Y234 AromaticContact CE1-CD1 3.92Å
223H98.2Very high97.3Very high5 Ų521.9 Ų21.92%0.02310%0.103CC..Hα-helixtrans-78.6-9.3177.1-82.8-94.1000114.6H146 H147 Y152 H199 H219 R220 V221 Y257H146-H223 AromaticContact CD2-CE1 3.37Å; H146-H223 PolarHBondContact CD2-CE1 3.43Å; H146-H223 AromaticContact CD2-NE2 3.74Å; H146-H223 AromaticContact CE1-CE1 3.64Å; H146-H223 AromaticContact CE1-NE2 3.91Å; H146-H223 AromaticContact CG-CE1 3.92Å; H146-H223 AromaticContact NE2-CE1 3.21Å; H146-H223 PolarHBondContact NE2-CE1 3Å; H146-H223 AromaticContact NE2-NE2 3.24Å; H146-H223 PolarHBondContact NE2-NE2 2.76Å; H147-H223 AromaticContact CE1-CE1 3.89Å; H147-H223 AromaticContact CE1-CG 3.89Å; H147-H223 AromaticContact CE1-ND1 3.7Å; H147-H223 AromaticContact ND1-CG 3.94Å; H147-H223 AromaticContact ND1-ND1 3.55Å; Y152-H223 HydrophobicContact CD2-CB 3.84Å; Y152-H223 AromaticContact CD2-CG 3.97Å; Y152-H223 HydrophobicContact CE2-CB 3.56Å; Y152-H223 AromaticContact CE2-CD2 3.44Å; Y152-H223 VanDerWaalsContact CE2-CD2 3.44Å; Y152-H223 WeakPolarHBondContact CE2-CD2 3.47Å; Y152-H223 AromaticContact CE2-CG 3.38Å; Y152-H223 AromaticContact CE2-ND1 3.99Å; H199-H223 AromaticContact CD2-NE2 3.73Å; H199-H223 AromaticContact NE2-CE1 3.98Å; H199-H223 AromaticContact NE2-NE2 3.39Å; H199-H223 PolarHBondContact NE2-NE2 3.27Å; H219-H223 AromaticContact CD2-CD2 3.62Å; H219-H223 AromaticContact CD2-NE2 3.68Å; H219-H223 AromaticContact CE1-CD2 3.64Å; H219-H223 AromaticContact CE1-NE2 3.49Å; H219-H223 PolarHBondContact CE1-NE2 3.37Å; H219-H223 AromaticContact NE2-CD2 3.31Å; H219-H223 PolarHBondContact NE2-CD2 2.97Å; H219-H223 VanDerWaalsContact NE2-CD2 3.31Å; H219-H223 AromaticContact NE2-NE2 2.97Å; H219-H223 PolarHBondContact NE2-NE2 3.27Å; H219-H223 PolarHBondContact O-CD2 3.22Å; H219-H223 PolarHBondContact O-N 2.77Å; R220-H223 CarbonylContact O-C 2.88Å; R220-H223 PolarHBondContact O-N 2.71Å; R220-H223 VanDerWaalsContact O-N 3.15Å; V221-H223 VanDerWaalsContact C-N 3.34Å; V221-H223 PolarHBondContact O-N 2.5Å; H223-Y257 HydrophobicContact CB-CD1 4.01Å; H223-Y257 HydrophobicContact CB-CE1 4.4Å
224G97.3Very high97.3Very high6 Ų618.4 Ų18.46%0.0629%0.088CC..  trans-70.1144.2-18000000113R220 V221 H222 C229 V256R220-G224 PolarHBondContact O-N 3.03Å; V221-G224 PolarHBondContact O-N 3.19Å; V221-G224 VanDerWaalsContact O-N 3.12Å; H222-G224 VanDerWaalsContact C-N 3.27Å; H222-G224 PolarHBondContact O-N 2.94Å; G224-C229 WeakPolarHBondContact O-CB 3.35Å; G224-V256 CarbonylContact C-O 3.59Å; G224-V256 WeakPolarHBondContact CA-O 3.26Å
225R95.9Very high97.3Very high24 Ų2418.4 Ų18.49%0.0919%0.088CC..  trans-101.94.2169.666.2166.4-170.7-142.6-6113.9V256 G258 L259 V260 V318R225-V256 HydrophobicContact CG-CB 4.48Å; R225-V256 HydrophobicContact CG-CG1 4.35Å; R225-V256 VanDerWaalsContact CG-O 3.29Å; R225-V256 WeakPolarHBondContact CG-O 3.4Å; R225-V256 PolarHBondContact N-O 3.45Å; R225-G258 WeakPolarHBondContact CB-O 3.4Å; R225-L259 VanDerWaalsContact CD-O 3.23Å; R225-L259 WeakPolarHBondContact CD-O 3.43Å; R225-L259 PolarHBondContact NH1-O 3.38Å; R225-V260 HydrophobicContact CB-CG2 4.18Å; R225-V318 HydrophobicContact CG-CG2 4.09Å; R225-V318 WeakPolarHBondContact O-CG2 3.45Å
226N95.6Very high97.3Very high12 Ų1218.4 Ų18.46%0.0649%0.087CC..SBendtrans-57.1150.4168.8-55.363.5000109Y228 C229 I230 K254 V255 V256N226-Y228 HydrophobicContact CB-CD1 3.67Å; N226-Y228 HydrophobicContact CB-CE1 3.69Å; N226-Y228 PolarHBondContact O-N 3.43Å; N226-Y228 VanDerWaalsContact O-N 3.13Å; N226-C229 HydrophobicContact CB-CB 4.36Å; N226-C229 VanDerWaalsContact O-CB 3.25Å; N226-C229 WeakPolarHBondContact O-CB 3.42Å; N226-C229 PolarHBondContact O-N 2.87Å; N226-I230 PolarHBondContact O-N 3.5Å; N226-K254 PolarHBondContact ND2-O 3.41Å; N226-V255 WeakPolarHBondContact OD1-CA 3.43Å; N226-V256 PolarHBondContact OD1-N 2.83Å
227L94.1Very high97.3Very high108 Ų10818.4 Ų18.457%0.5659%0.087SC*.THydrogen-bonded Turntrans-57.8-34.9-176.4-176.261.1000113C229 H312L227-C229 VanDerWaalsContact C-N 3.26Å; L227-C229 PolarHBondContact O-N 2.97Å; L227-H312 HydrophobicContact CD1-CB 3.62Å; L227-H312 WeakPolarHBondContact CD1-O 3.45Å
228Y94.8Very high97.3Very high53 Ų5316.5 Ų16.521%0.2088%0.08CC..THydrogen-bonded Turntrans-73.6-17.1178.583.3-91.9000113.8V221 N226 K232 A250 S252 D253V221-Y228 HydrophobicContact CG1-CD2 4.39Å; V221-Y228 HydrophobicContact CG1-CE2 4Å; V221-Y228 HydrophobicContact CG2-CE2 4.16Å; N226-Y228 HydrophobicContact CB-CD1 3.67Å; N226-Y228 HydrophobicContact CB-CE1 3.69Å; N226-Y228 PolarHBondContact O-N 3.43Å; N226-Y228 VanDerWaalsContact O-N 3.13Å; Y228-K232 WeakPolarHBondContact O-CG 3.49Å; Y228-A250 WeakPolarHBondContact CE2-O 3.14Å; Y228-S252 WeakPolarHBondContact CE2-OG 3.34Å; Y228-S252 VanDerWaalsContact CZ-OG 3.29Å; Y228-S252 PolarHBondContact OH-N 2.91Å; Y228-D253 HydrophobicContact CE1-CB 4.1Å; Y228-D253 PolarHBondContact OH-O 2.82Å
229C96.9Very high97.4Very high1 Ų116.3 Ų16.31%0.0078%0.079CC..THydrogen-bonded Turntrans-85.9-22.9180-68.60000112.9V221 G224 N226 L227 D231 K232V221-C229 HydrophobicContact CG1-CB 4.36Å; V221-C229 WeakPolarHBondContact O-CB 3.49Å; V221-C229 PolarHBondContact O-SG 3.33Å; V221-C229 VanDerWaalsContact O-SG 3.37Å; G224-C229 WeakPolarHBondContact O-CB 3.35Å; N226-C229 HydrophobicContact CB-CB 4.36Å; N226-C229 VanDerWaalsContact O-CB 3.25Å; N226-C229 WeakPolarHBondContact O-CB 3.42Å; N226-C229 PolarHBondContact O-N 2.87Å; L227-C229 VanDerWaalsContact C-N 3.26Å; L227-C229 PolarHBondContact O-N 2.97Å; C229-D231 PolarHBondContact O-N 2.64Å; C229-K232 PolarHBondContact O-N 2.65Å
230I95.8Very high97.4Very high29 Ų2919.1 Ų19.115%0.1499%0.093CC..THydrogen-bonded Turntrans-64.7129.2-173.8-54.6-55.5000110.7N226 V260N226-I230 PolarHBondContact O-N 3.5Å; I230-V260 HydrophobicContact CD1-CG2 3.69Å
231D96.8Very high97.4Very high23 Ų2320.2 Ų20.212%0.12310%0.097CC..THydrogen-bonded Turntrans58.646.2177.3-66.8-35.4000113.2C229 Y234 H312C229-D231 PolarHBondContact O-N 2.64Å; D231-Y234 VanDerWaalsContact C-OH 3.27Å; D231-Y234 WeakPolarHBondContact CA-OH 3.36Å; D231-Y234 WeakPolarHBondContact CB-OH 3.4Å; D231-Y234 PolarHBondContact O-OH 3.31Å; D231-Y234 PolarHBondContact OD1-OH 2.95Å; D231-H312 IonicContact OD2-CE1 3.35Å; D231-H312 PolarHBondContact OD2-CE1 3.28Å; D231-H312 IonicContact OD2-NE2 3.49Å; D231-H312 PolarHBondContact OD2-NE2 2.92Å
232K98.1Very high97.4Very high61 Ų6120.2 Ų20.227%0.26510%0.097SC..  trans-130.8156.7-179.4-58.9-62.4170.2-168.70113.6H222 Y228 C229 T247 A249H222-K232 PolarHBondContact ND1-O 3.11Å; Y228-K232 WeakPolarHBondContact O-CG 3.49Å; C229-K232 PolarHBondContact O-N 2.65Å; K232-T247 VanDerWaalsContact CA-O 3.24Å; K232-T247 WeakPolarHBondContact CA-O 3.45Å; K232-T247 WeakPolarHBondContact CB-O 3.21Å; K232-T247 WeakPolarHBondContact CD-O 3.32Å; K232-A249 HydrophobicContact CB-CB 3.85Å; K232-A249 HydrophobicContact CD-CB 3.91Å; K232-A249 HydrophobicContact CG-CB 3.63Å
233N98.6Very high97.4Very high0 Ų023.8 Ų23.80%011%0.11CC..  trans55.561.3168.3-61.8-7.5000114.2H218 H222 I239 D242 T247 F248 A249H218-N233 PolarHBondContact O-ND2 2.75Å; H222-N233 HydrophobicContact CB-CB 4.07Å; H222-N233 PolarHBondContact ND1-O 2.98Å; H222-N233 VanDerWaalsContact ND1-O 3.1Å; N233-I239 HydrophobicContact CB-CD1 4.18Å; N233-D242 VanDerWaalsContact CA-CG 3.43Å; N233-D242 WeakPolarHBondContact CA-OD1 3.35Å; N233-D242 PolarHBondContact N-OD1 3.28Å; N233-T247 PolarHBondContact N-O 2.72Å; N233-F248 VanDerWaalsContact OD1-CA 3.31Å; N233-F248 WeakPolarHBondContact OD1-CA 3.4Å; N233-A249 PolarHBondContact ND2-O 3.48Å; N233-A249 PolarHBondContact OD1-N 2.95Å; N233-A249 PolarHBondContact OD1-O 3.39Å
234Y98.7Very high97.4Very high0 Ų029.3 Ų29.30%014%0.139CC..  trans-83-9.7-177.6-56.3-62.7000115.1Y127 H130 R131 H134 H222 D231 D242 T247Y127-Y234 HydrophobicContact CE2-CD2 4.07Å; Y127-Y234 HydrophobicContact CE2-CG 4.44Å; H130-Y234 PolarHBondContact ND1-O 2.75Å; R131-Y234 HydrophobicContact CB-CD1 4.42Å; R131-Y234 HydrophobicContact CB-CD2 3.77Å; R131-Y234 HydrophobicContact CB-CE2 4.05Å; R131-Y234 HydrophobicContact CB-CG 3.94Å; R131-Y234 HydrophobicContact CG-CD2 3.88Å; R131-Y234 HydrophobicContact CG-CE2 3.7Å; R131-Y234 HydrophobicContact CG-CG 4.49Å; H134-Y234 HydrophobicContact CB-CE1 3.57Å; H134-Y234 AromaticContact CD2-CE1 3.87Å; H134-Y234 AromaticContact CG-CE1 3.66Å; H222-Y234 AromaticContact CE1-CD1 3.92Å; D231-Y234 VanDerWaalsContact C-OH 3.27Å; D231-Y234 WeakPolarHBondContact CA-OH 3.36Å; D231-Y234 WeakPolarHBondContact CB-OH 3.4Å; D231-Y234 PolarHBondContact O-OH 3.31Å; D231-Y234 PolarHBondContact OD1-OH 2.95Å; Y234-D242 PolarHBondContact N-OD1 2.91Å; Y234-D242 PolarHBondContact N-OD2 3Å; Y234-T247 HydrophobicContact CD2-CG2 4.03Å; Y234-T247 HydrophobicContact CE2-CG2 3.73Å
235G98Very high97.5Very high0 Ų032.5 Ų32.50%015%0.152CC..  trans-55.4144.3-17600000113.3N214 L238 D242N214-G235 PolarHBondContact ND2-O 2.86Å; G235-L238 WeakPolarHBondContact CA-O 3.45Å; G235-D242 WeakPolarHBondContact CA-OD2 3.2Å; G235-D242 PolarHBondContact N-OD2 2.84Å
236G96.8Very high97.6Very high0 Ų034.1 Ų34.10%018%0.176CC..SBendtrans-83-80175.400000110.7N214N214-G236 VanDerWaalsContact CB-O 3.31Å; N214-G236 WeakPolarHBondContact CB-O 3.33Å; N214-G236 PolarHBondContact ND2-O 2.99Å
237I98.2Very high97.7Very high1 Ų133.9 Ų33.91%0.00518%0.175CC..SBendtrans-88.7-44174.2-59.3-178.4000110.8F19 F119 D123 N191 Y194 F213 N214F19-I237 HydrophobicContact CD2-CD1 3.6Å; F19-I237 HydrophobicContact CE2-CD1 4.07Å; F19-I237 HydrophobicContact CG-CD1 4.3Å; F119-I237 HydrophobicContact CD2-CD1 4.35Å; F119-I237 HydrophobicContact CE2-CB 4.29Å; F119-I237 HydrophobicContact CE2-CD1 3.73Å; F119-I237 HydrophobicContact CE2-CG2 4.04Å; F119-I237 HydrophobicContact CZ-CG2 4.18Å; D123-I237 WeakPolarHBondContact OD1-CB 3.27Å; D123-I237 PolarHBondContact OD1-N 3.45Å; N191-I237 HydrophobicContact CB-CD1 4.38Å; Y194-I237 HydrophobicContact CD1-CB 4.04Å; Y194-I237 HydrophobicContact CD1-CG1 3.66Å; Y194-I237 HydrophobicContact CD1-CG2 4.17Å; Y194-I237 HydrophobicContact CD2-CG1 4.33Å; Y194-I237 HydrophobicContact CD2-CG2 4.09Å; Y194-I237 HydrophobicContact CE1-CB 4.25Å; Y194-I237 HydrophobicContact CE1-CG1 4.37Å; Y194-I237 HydrophobicContact CE1-CG2 4.12Å; Y194-I237 HydrophobicContact CE2-CG2 4.02Å; Y194-I237 HydrophobicContact CG-CB 4.29Å; Y194-I237 HydrophobicContact CG-CD1 4.21Å; Y194-I237 HydrophobicContact CG-CG1 3.64Å; Y194-I237 HydrophobicContact CG-CG2 4.17Å; F213-I237 CarbonylContact C-O 3.57Å; F213-I237 WeakPolarHBondContact CA-O 3.14Å; F213-I237 HydrophobicContact CD1-CG2 4.15Å; F213-I237 HydrophobicContact CE1-CG2 4.45Å; N214-I237 PolarHBondContact N-O 3.1Å
238L98.6Very high98Very high8 Ų831.5 Ų31.54%0.04216%0.161CC..BIsolated β-bridgetrans-105.8130-174-53.6171.8000111.4F119 L120 D123 I212 F213 G235 I240 W241F119-L238 HydrophobicContact CE1-CD1 3.93Å; F119-L238 HydrophobicContact CZ-CD1 3.84Å; F119-L238 HydrophobicContact CZ-CD2 4.08Å; F119-L238 HydrophobicContact CZ-CG 4Å; L120-L238 HydrophobicContact CD2-CD1 3.89Å; D123-L238 VanDerWaalsContact OD2-CB 3.23Å; D123-L238 WeakPolarHBondContact OD2-CB 3.23Å; D123-L238 WeakPolarHBondContact OD2-CG 3.39Å; D123-L238 PolarHBondContact OD2-N 3.2Å; I212-L238 HydrophobicContact CG2-CD2 3.99Å; I212-L238 CarbonylContact O-C 3.49Å; I212-L238 WeakPolarHBondContact O-CA 3.42Å; F213-L238 HydrophobicContact CD1-CD2 3.92Å; F213-L238 HydrophobicContact CE1-CD2 3.96Å; G235-L238 WeakPolarHBondContact CA-O 3.45Å; L238-I240 HydrophobicContact CB-CD1 4.18Å; L238-I240 HydrophobicContact CB-CG1 3.86Å; L238-I240 HydrophobicContact CD1-CD1 3.8Å; L238-I240 HydrophobicContact CD1-CG1 4.38Å; L238-W241 HydrophobicContact CD1-CZ2 4.47Å
239I98.6Very high98.1Very high0 Ų029.7 Ų29.70%016%0.157CC..THydrogen-bonded Turntrans-81.9-8.1173.6-160.364000112E210 I212 F213 H218 N233 W241 D242 R243 F248E210-I239 WeakPolarHBondContact O-CG2 3.18Å; I212-I239 PolarHBondContact O-N 3.43Å; F213-I239 WeakPolarHBondContact O-CG2 3.31Å; H218-I239 HydrophobicContact CB-CD1 3.94Å; N233-I239 HydrophobicContact CB-CD1 4.18Å; I239-W241 PolarHBondContact O-N 3.29Å; I239-D242 HydrophobicContact CD1-CB 4.1Å; I239-D242 HydrophobicContact CG1-CB 4.45Å; I239-D242 WeakPolarHBondContact O-CB 3.3Å; I239-D242 PolarHBondContact O-N 3.27Å; I239-D242 VanDerWaalsContact O-N 3.12Å; I239-R243 PolarHBondContact O-N 3.49Å; I239-F248 HydrophobicContact CD1-CD2 4.19Å; I239-F248 HydrophobicContact CG1-CD2 3.71Å; I239-F248 HydrophobicContact CG1-CE2 3.88Å
240I98.7Very high98.2Very high58 Ų5832.5 Ų32.530%0.29718%0.179SC..Hα-helixtrans-59.2-32-178.271.1-176.7000112.1I212 L238 R243 L244I212-I240 HydrophobicContact CG2-CG2 4.4Å; L238-I240 HydrophobicContact CB-CD1 4.18Å; L238-I240 HydrophobicContact CB-CG1 3.86Å; L238-I240 HydrophobicContact CD1-CD1 3.8Å; L238-I240 HydrophobicContact CD1-CG1 4.38Å; I240-R243 PolarHBondContact O-N 3.49Å; I240-L244 WeakPolarHBondContact O-CB 3.16Å; I240-L244 PolarHBondContact O-N 3.29Å
241W98.8Very high98.2Very high30 Ų3033.8 Ų33.811%0.11419%0.185CC..Hα-helixtrans-64.3-42178.4-52.6123000111.2L120 D123 L124 Y127 L238 I239 R243 L244 F245L120-W241 HydrophobicContact CD2-CZ2 4.49Å; D123-W241 PolarHBondContact OD2-NE1 3.28Å; L124-W241 HydrophobicContact CB-CD2 4.5Å; L124-W241 HydrophobicContact CB-CH2 4.11Å; L124-W241 HydrophobicContact CB-CZ2 3.83Å; L124-W241 HydrophobicContact CD1-CD2 3.91Å; L124-W241 HydrophobicContact CD1-CE3 3.69Å; L124-W241 HydrophobicContact CD1-CH2 4.29Å; L124-W241 HydrophobicContact CD1-CZ2 4.5Å; L124-W241 HydrophobicContact CD1-CZ3 3.9Å; L124-W241 HydrophobicContact CD2-CH2 4.45Å; Y127-W241 HydrophobicContact CD1-CB 4.28Å; Y127-W241 HydrophobicContact CD2-CB 3.44Å; Y127-W241 VanDerWaalsContact CD2-CB 3.44Å; Y127-W241 HydrophobicContact CD2-CG 4.42Å; Y127-W241 HydrophobicContact CE2-CB 3.96Å; Y127-W241 HydrophobicContact CG-CB 3.64Å; Y127-W241 HydrophobicContact CG-CG 4.29Å; L238-W241 HydrophobicContact CD1-CZ2 4.47Å; I239-W241 PolarHBondContact O-N 3.29Å; W241-R243 VanDerWaalsContact C-N 3.29Å; W241-R243 PolarHBondContact O-N 3.46Å; W241-L244 HydrophobicContact CE3-CD2 4.25Å; W241-L244 HydrophobicContact CZ3-CD2 4.37Å; W241-L244 PolarHBondContact O-N 3.42Å; W241-F245 HydrophobicContact CB-CD2 4.24Å; W241-F245 HydrophobicContact CB-CE2 4.43Å; W241-F245 HydrophobicContact CE3-CE2 4.25Å; W241-F245 WeakPolarHBondContact O-CB 3.35Å; W241-F245 WeakPolarHBondContact O-CD2 3.34Å; W241-F245 PolarHBondContact O-N 3.05Å
242D98.8Very high97.9Very high0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-63.6-35.8175.2-75.1-76.5000113.1N233 Y234 G235 I239 G246 T247 F248N233-D242 VanDerWaalsContact CA-CG 3.43Å; N233-D242 WeakPolarHBondContact CA-OD1 3.35Å; N233-D242 PolarHBondContact N-OD1 3.28Å; Y234-D242 PolarHBondContact N-OD1 2.91Å; Y234-D242 PolarHBondContact N-OD2 3Å; G235-D242 WeakPolarHBondContact CA-OD2 3.2Å; G235-D242 PolarHBondContact N-OD2 2.84Å; I239-D242 HydrophobicContact CD1-CB 4.1Å; I239-D242 HydrophobicContact CG1-CB 4.45Å; I239-D242 WeakPolarHBondContact O-CB 3.3Å; I239-D242 PolarHBondContact O-N 3.27Å; I239-D242 VanDerWaalsContact O-N 3.12Å; D242-G246 CarbonylContact O-C 3.59Å; D242-G246 PolarHBondContact O-N 3.38Å; D242-T247 WeakPolarHBondContact CA-OG1 3.37Å; D242-T247 PolarHBondContact O-N 2.97Å; D242-T247 WeakPolarHBondContact OD1-CB 3.32Å; D242-T247 PolarHBondContact OD1-OG1 3.36Å; D242-F248 HydrophobicContact CB-CB 3.97Å; D242-F248 PolarHBondContact O-N 2.75Å
243R98.4Very high97.5Very high80 Ų8039 Ų3930%0.30222%0.222SC..Hα-helixtrans-68.8-43.9175.1-61-179.8-176.4-73.6-2110.9E210 W211 I239 I240 W241 F248E210-R243 PolarHBondContact O-NH2 3.18Å; W211-R243 PolarHBondContact O-NE 3.49Å; I239-R243 PolarHBondContact O-N 3.49Å; I240-R243 PolarHBondContact O-N 3.49Å; W241-R243 VanDerWaalsContact C-N 3.29Å; W241-R243 PolarHBondContact O-N 3.46Å; R243-F248 HydrophobicContact CG-CB 4.14Å; R243-F248 HydrophobicContact CG-CD2 4.3Å; R243-F248 HydrophobicContact CG-CG 4.14Å
244L98.5Very high97.3Very high121 Ų12146.1 Ų46.163%0.63425%0.253SS*.Hα-helixtrans-66.1-42.7-179.5-176.964.6000112.2I240 W241I240-L244 WeakPolarHBondContact O-CB 3.16Å; I240-L244 PolarHBondContact O-N 3.29Å; W241-L244 HydrophobicContact CE3-CD2 4.25Å; W241-L244 HydrophobicContact CZ3-CD2 4.37Å; W241-L244 PolarHBondContact O-N 3.42Å
245F98.6Very high97.1Very high73 Ų7346.4 Ų46.432%0.3226%0.255SS..THydrogen-bonded Turntrans-965.9-176.1-64.7-62.4000114L124 Y127 W128 W241L124-F245 HydrophobicContact CD1-CE2 3.84Å; L124-F245 HydrophobicContact CD1-CZ 4.22Å; Y127-F245 AromaticContact CD1-CD2 3.85Å; Y127-F245 HydrophobicContact CD1-CD2 3.85Å; Y127-F245 HydrophobicContact CD1-CE2 4.04Å; Y127-F245 HydrophobicContact CE1-CB 4.13Å; Y127-F245 AromaticContact CE1-CD2 3.27Å; Y127-F245 HydrophobicContact CE1-CD2 3.27Å; Y127-F245 AromaticContact CE1-CE2 3.88Å; Y127-F245 HydrophobicContact CE1-CE2 3.88Å; Y127-F245 AromaticContact CE1-CG 3.89Å; Y127-F245 HydrophobicContact CE1-CG 3.89Å; Y127-F245 HydrophobicContact CE2-CD2 4.38Å; Y127-F245 AromaticContact CZ-CD2 3.61Å; Y127-F245 WeakPolarHBondContact OH-CB 3.31Å; W128-F245 HydrophobicContact CH2-CE1 4.45Å; W128-F245 HydrophobicContact CZ2-CD1 4.25Å; W128-F245 AromaticContact CZ2-CE1 3.81Å; W128-F245 HydrophobicContact CZ2-CE1 3.81Å; W128-F245 HydrophobicContact CZ2-CE2 4.23Å; W128-F245 AromaticContact CZ2-CZ 3.8Å; W128-F245 HydrophobicContact CZ2-CZ 3.8Å; W241-F245 HydrophobicContact CB-CD2 4.24Å; W241-F245 HydrophobicContact CB-CE2 4.43Å; W241-F245 HydrophobicContact CE3-CE2 4.25Å; W241-F245 WeakPolarHBondContact O-CB 3.35Å; W241-F245 WeakPolarHBondContact O-CD2 3.34Å; W241-F245 PolarHBondContact O-N 3.05Å
246G98.3Very high97.1Very high59 Ų5947.1 Ų47.161%0.60826%0.259SS*.THydrogen-bonded Turntrans73.224.6172.700000115.3D242D242-G246 CarbonylContact O-C 3.59Å; D242-G246 PolarHBondContact O-N 3.38Å
247T98.6Very high97.1Very high7 Ų747.8 Ų47.84%0.04326%0.262CS..  trans-105.13.317952.50000113.1Y127 K232 N233 Y234 D242Y127-T247 PolarHBondContact OH-OG1 2.82Å; K232-T247 VanDerWaalsContact CA-O 3.24Å; K232-T247 WeakPolarHBondContact CA-O 3.45Å; K232-T247 WeakPolarHBondContact CB-O 3.21Å; K232-T247 WeakPolarHBondContact CD-O 3.32Å; N233-T247 PolarHBondContact N-O 2.72Å; Y234-T247 HydrophobicContact CD2-CG2 4.03Å; Y234-T247 HydrophobicContact CE2-CG2 3.73Å; D242-T247 WeakPolarHBondContact CA-OG1 3.37Å; D242-T247 PolarHBondContact O-N 2.97Å; D242-T247 WeakPolarHBondContact OD1-CB 3.32Å; D242-T247 PolarHBondContact OD1-OG1 3.36Å
248F98.7Very high97Very high58 Ų5848 Ų4825%0.25426%0.264SS..  trans-69.3137176.4-179.7-101.2000112.7H218 N233 I239 D242 R243 A250H218-F248 AromaticContact CD2-CE2 3.65Å; H218-F248 AromaticContact NE2-CE2 3.64Å; N233-F248 VanDerWaalsContact OD1-CA 3.31Å; N233-F248 WeakPolarHBondContact OD1-CA 3.4Å; I239-F248 HydrophobicContact CD1-CD2 4.19Å; I239-F248 HydrophobicContact CG1-CD2 3.71Å; I239-F248 HydrophobicContact CG1-CE2 3.88Å; D242-F248 HydrophobicContact CB-CB 3.97Å; D242-F248 PolarHBondContact O-N 2.75Å; R243-F248 HydrophobicContact CG-CB 4.14Å; R243-F248 HydrophobicContact CG-CD2 4.3Å; R243-F248 HydrophobicContact CG-CG 4.14Å; F248-A250 HydrophobicContact CE1-CB 4.2Å; F248-A250 HydrophobicContact CZ-CB 4.34Å
249A98.4Very high97Very high15 Ų1548.3 Ų48.312%0.12427%0.266CS..  trans-137.1134.1165.300000110.6V221 K232 N233V221-A249 HydrophobicContact CG1-CB 4Å; K232-A249 HydrophobicContact CB-CB 3.85Å; K232-A249 HydrophobicContact CD-CB 3.91Å; K232-A249 HydrophobicContact CG-CB 3.63Å; N233-A249 PolarHBondContact ND2-O 3.48Å; N233-A249 PolarHBondContact OD1-N 2.95Å; N233-A249 PolarHBondContact OD1-O 3.39Å
250A97.3Very high96.8Very high59 Ų5950 Ų5049%0.48828%0.275SS..  trans-79.4148.2172.900000110.9Y228 F248 S252Y228-A250 WeakPolarHBondContact CE2-O 3.14Å; F248-A250 HydrophobicContact CE1-CB 4.2Å; F248-A250 HydrophobicContact CZ-CB 4.34Å; A250-S252 PolarHBondContact O-N 3.03Å
251E96.5Very high96.5Very high56 Ų5653.4 Ų53.426%0.26229%0.289SS..  trans-64.9127.2171.1-166.6175.4-178.700109.2K217 R220 V221 V255K217-E251 HydrophobicContact CG-CB 4.02Å; K217-E251 WeakPolarHBondContact CG-OE2 3.37Å; R220-E251 IonicContact CZ-OE1 2.65Å; R220-E251 IonicContact CZ-OE2 3.57Å; R220-E251 IonicContact NE-OE1 3Å; R220-E251 PolarHBondContact NE-OE1 3.34Å; R220-E251 VanDerWaalsContact NE-OE1 3.15Å; R220-E251 IonicContact NE-OE2 3.9Å; R220-E251 PolarHBondContact NE-OE2 2.93Å; R220-E251 VanDerWaalsContact NE-OE2 3.12Å; R220-E251 IonicContact NH2-OE1 2.75Å; R220-E251 IonicContact NH2-OE2 2.71Å; R220-E251 PolarHBondContact NH2-OE2 3.29Å; V221-E251 VanDerWaalsContact CG2-CA 3.41Å; V221-E251 HydrophobicContact CG2-CB 3.57Å; V221-E251 HydrophobicContact CG2-CG 3.99Å; E251-V255 HydrophobicContact CG-CG2 4Å
252S91Very high96.2Very high82 Ų8254.8 Ų54.857%0.57330%0.301SS*.  trans-125.8-82.4-175.854.10000110.8Y228 A250Y228-S252 WeakPolarHBondContact CE2-OG 3.34Å; Y228-S252 VanDerWaalsContact CZ-OG 3.29Å; Y228-S252 PolarHBondContact OH-N 2.91Å; A250-S252 PolarHBondContact O-N 3.03Å
253D90.4Very high96.1Very high112 Ų11256.3 Ų56.360%0.59931%0.309SS*.SBendtrans-79.1161.2174.6-63.1-36.2000111.4Y228 V255Y228-D253 HydrophobicContact CE1-CB 4.1Å; Y228-D253 PolarHBondContact OH-O 2.82Å; D253-V255 PolarHBondContact O-N 3.33Å; D253-V255 VanDerWaalsContact O-N 3.08Å
254K92.9Very high95.9Very high149 Ų14956.4 Ų56.465%0.64832%0.316SS*.PPolyproline II helixtrans-49.1120171.6-178.4-174.3174-167.40110N226 G320N226-K254 PolarHBondContact ND2-O 3.41Å; K254-G320 PolarHBondContact NZ-O 3.17Å
255V95.9Very high95.8Very high7 Ų751.2 Ų51.24%0.04229%0.289CS..PPolyproline II helixtrans-72.8133.3178-174.30000109.7R220 N226 E251 D253 Y257R220-V255 HydrophobicContact CB-CG2 4.45Å; R220-V255 WeakPolarHBondContact O-CG1 3.38Å; N226-V255 WeakPolarHBondContact OD1-CA 3.43Å; E251-V255 HydrophobicContact CG-CG2 4Å; D253-V255 PolarHBondContact O-N 3.33Å; D253-V255 VanDerWaalsContact O-N 3.08Å; V255-Y257 HydrophobicContact CB-CE1 4.11Å; V255-Y257 HydrophobicContact CG1-CD1 3.87Å; V255-Y257 HydrophobicContact CG1-CE1 3.43Å; V255-Y257 VanDerWaalsContact CG1-CE1 3.43Å
256V96.8Very high95.7Very high14 Ų1448.1 Ų48.19%0.08528%0.275CS..  trans-112.4130.2171.6-179.50000107.4G224 R225 N226 V318 E322G224-V256 CarbonylContact C-O 3.59Å; G224-V256 WeakPolarHBondContact CA-O 3.26Å; R225-V256 HydrophobicContact CG-CB 4.48Å; R225-V256 HydrophobicContact CG-CG1 4.35Å; R225-V256 VanDerWaalsContact CG-O 3.29Å; R225-V256 WeakPolarHBondContact CG-O 3.4Å; R225-V256 PolarHBondContact N-O 3.45Å; N226-V256 PolarHBondContact OD1-N 2.83Å; V256-V318 HydrophobicContact CB-CG1 3.6Å; V256-V318 HydrophobicContact CG1-CG1 4.16Å; V256-V318 HydrophobicContact CG2-CG1 3.38Å; V256-E322 HydrophobicContact CG1-CB 4.11Å; V256-E322 HydrophobicContact CG1-CG 4.44Å
257Y97.1Very high95.6Very high15 Ų1546.1 Ų46.16%0.05925%0.25CS..  trans-99.3179.3-174.7-49.4-73.6000112.6Y152 E201 R220 H223 V255Y152-Y257 HydrophobicContact CD1-CE1 4.12Å; Y152-Y257 HydrophobicContact CD2-CD1 4.07Å; Y152-Y257 AromaticContact CD2-CE1 3.97Å; Y152-Y257 HydrophobicContact CD2-CE1 3.97Å; Y152-Y257 HydrophobicContact CG-CD1 4.05Å; Y152-Y257 AromaticContact CG-CE1 3.61Å; Y152-Y257 HydrophobicContact CG-CE1 3.61Å; Y152-Y257 HydrophobicContact CG-CE2 4.28Å; Y152-Y257 AromaticContact CG-CZ 3.75Å; E201-Y257 VanDerWaalsContact OE1-CE2 3.3Å; E201-Y257 WeakPolarHBondContact OE1-CE2 3.36Å; E201-Y257 PolarHBondContact OE1-OH 3Å; R220-Y257 HydrophobicContact CB-CE1 4.36Å; R220-Y257 WeakPolarHBondContact CD-OH 3.27Å; R220-Y257 HydrophobicContact CG-CE1 4.36Å; R220-Y257 VanDerWaalsContact CG-OH 3.31Å; R220-Y257 WeakPolarHBondContact CG-OH 3.35Å; H223-Y257 HydrophobicContact CB-CD1 4.01Å; H223-Y257 HydrophobicContact CB-CE1 4.4Å; V255-Y257 HydrophobicContact CB-CE1 4.11Å; V255-Y257 HydrophobicContact CG1-CD1 3.87Å; V255-Y257 HydrophobicContact CG1-CE1 3.43Å; V255-Y257 VanDerWaalsContact CG1-CE1 3.43Å
258G96.9Very high95.5Very high4 Ų445.8 Ų45.84%0.04125%0.248CC..SBendtrans90175.9-175.600000112.5H147 S149 R225H147-G258 CarbonylContact O-C 3.55Å; H147-G258 VanDerWaalsContact O-C 3.24Å; H147-G258 WeakPolarHBondContact O-CA 3.4Å; S149-G258 VanDerWaalsContact O-CA 3.25Å; S149-G258 WeakPolarHBondContact O-CA 3.31Å; S149-G258 PolarHBondContact O-N 3.45Å; R225-G258 WeakPolarHBondContact CB-O 3.4Å
259L96.9Very high95.4Very high16 Ų1646 Ų468%0.08425%0.252CS..  trans-66.6150.1177.4-55.1-177.1000111.3W140 Q144 H147 R225 F261 I263W140-L259 HydrophobicContact CH2-CD2 4.43Å; W140-L259 HydrophobicContact CZ2-CD2 3.96Å; Q144-L259 HydrophobicContact CB-CD2 4.03Å; Q144-L259 WeakPolarHBondContact O-CD2 3.4Å; Q144-L259 VanDerWaalsContact OE1-CD1 3.23Å; H147-L259 HydrophobicContact CB-CD2 4.02Å; H147-L259 PolarHBondContact O-N 2.97Å; R225-L259 VanDerWaalsContact CD-O 3.23Å; R225-L259 WeakPolarHBondContact CD-O 3.43Å; R225-L259 PolarHBondContact NH1-O 3.38Å; L259-F261 WeakPolarHBondContact CB-O 3.42Å; L259-F261 PolarHBondContact O-N 3.5Å; L259-I263 HydrophobicContact CD1-CG2 3.83Å
260V94.4Very high95.4Very high34 Ų3450.5 Ų50.521%0.20627%0.266CS..SBendtrans-51.5-38.9170174.10000111.3R225 I230 N315R225-V260 HydrophobicContact CB-CG2 4.18Å; I230-V260 HydrophobicContact CD1-CG2 3.69Å; V260-N315 HydrophobicContact CG1-CB 3.87Å
261F93.2Very high95.4Very high131 Ų13147.7 Ų47.758%0.57524%0.243SC*.SBendtrans-111.4101.3170.9-61.5-80000108.6L259 I263 P316L259-F261 WeakPolarHBondContact CB-O 3.42Å; L259-F261 PolarHBondContact O-N 3.5Å; F261-I263 PolarHBondContact O-N 2.9Å; F261-P316 HydrophobicContact CD1-CG 4.03Å; F261-P316 HydrophobicContact CE1-CG 3.71Å; F261-P316 HydrophobicContact CZ-CG 4.33Å
262P93.6Very high95.5Very high58 Ų5845.2 Ų45.238%0.37723%0.231SC..  trans-59.7135.5-176.4-21.830.3000112.3N264P262-N264 WeakPolarHBondContact CB-OD1 3.45Å
263I95Very high95.8Very high32 Ų3245 Ų4516%0.16422%0.223CC..  trans-85.9-21.6175.856.5173.7000112.9L259 F261 T265 Y270 V271 H274L259-I263 HydrophobicContact CD1-CG2 3.83Å; F261-I263 PolarHBondContact O-N 2.9Å; I263-T265 VanDerWaalsContact C-N 3.32Å; I263-T265 HydrophobicContact CB-CG2 4.04Å; I263-T265 HydrophobicContact CD1-CG2 4.09Å; I263-T265 HydrophobicContact CG1-CG2 4.08Å; I263-T265 PolarHBondContact O-N 2.89Å; I263-Y270 HydrophobicContact CB-CE1 4.16Å; I263-Y270 HydrophobicContact CG2-CE1 4.22Å; I263-V271 HydrophobicContact CD1-CB 4.4Å; I263-V271 HydrophobicContact CD1-CG1 4.49Å; I263-V271 HydrophobicContact CD1-CG2 3.81Å; I263-H274 WeakPolarHBondContact CG2-NE2 3.34Å
264N94.5Very high96.2Very high83 Ų8340.9 Ų40.944%0.44420%0.201SC..  trans48.147.9176.4-58.2-44.1000113.6P262 H325P262-N264 WeakPolarHBondContact CB-OD1 3.45Å; N264-H325 HydrophobicContact CB-CB 4.49Å; N264-H325 PolarHBondContact O-NE2 2.91Å
265T95.9Very high96.4Very high12 Ų1234.9 Ų34.97%0.07417%0.174CC..  trans-151.5148.1-179172.20000112.3I263 E267 Y270 V271 E382 R384I263-T265 VanDerWaalsContact C-N 3.32Å; I263-T265 HydrophobicContact CB-CG2 4.04Å; I263-T265 HydrophobicContact CD1-CG2 4.09Å; I263-T265 HydrophobicContact CG1-CG2 4.08Å; I263-T265 PolarHBondContact O-N 2.89Å; T265-E267 WeakPolarHBondContact OG1-CB 3.41Å; T265-E267 PolarHBondContact OG1-N 3.14Å; T265-Y270 HydrophobicContact CG2-CD1 3.47Å; T265-Y270 VanDerWaalsContact CG2-CD1 3.47Å; T265-Y270 HydrophobicContact CG2-CE1 3.94Å; T265-Y270 HydrophobicContact CG2-CG 4.24Å; T265-V271 HydrophobicContact CG2-CG2 4.49Å; T265-E382 WeakPolarHBondContact CA-OE1 3.44Å; T265-E382 WeakPolarHBondContact CB-OE1 3.48Å; T265-E382 PolarHBondContact OG1-OE1 3.17Å; T265-E382 VanDerWaalsContact OG1-OE1 3.13Å; T265-E382 PolarHBondContact OG1-OE2 3.16Å; T265-R384 PolarHBondContact OG1-NH2 3.46Å
266F96.7Very high96.5Very high8 Ų837.2 Ų37.24%0.03518%0.182CC..  trans-106.3-0.4172.4-62.2-73.8000113S68 D69 T72 I268 H325 P327 I381 E382S68-F266 WeakPolarHBondContact OG-CZ 3.38Å; D69-F266 HydrophobicContact CB-CE1 4.24Å; T72-F266 WeakPolarHBondContact OG1-CB 3.24Å; T72-F266 WeakPolarHBondContact OG1-CD1 3.43Å; T72-F266 PolarHBondContact OG1-O 3.22Å; F266-I268 PolarHBondContact O-N 2.81Å; F266-H325 AromaticContact CD2-CD2 3.98Å; F266-H325 AromaticContact CE2-CD2 3.3Å; F266-H325 WeakPolarHBondContact CE2-CD2 3.26Å; F266-H325 AromaticContact CE2-NE2 3.73Å; F266-H325 AromaticContact CZ-CD2 3.86Å; F266-H325 WeakPolarHBondContact CZ-O 3.48Å; F266-P327 HydrophobicContact CD2-CG 4.35Å; F266-P327 VanDerWaalsContact CE2-CD 3.41Å; F266-P327 HydrophobicContact CE2-CG 4.08Å; F266-I381 HydrophobicContact CB-CG2 4.12Å; F266-I381 HydrophobicContact CD2-CG2 3.58Å; F266-I381 HydrophobicContact CE2-CG2 4.27Å; F266-I381 HydrophobicContact CG-CG2 3.98Å; F266-E382 HydrophobicContact CB-CG 4.49Å; F266-E382 HydrophobicContact CD2-CG 4.23Å
267E96.4Very high96.6Very high16 Ų1640 Ų408%0.07520%0.2CC..  trans-65.6112.7174.5-164-74.2105.500111.3T265 L269 Y270 V271 T375 F379T265-E267 WeakPolarHBondContact OG1-CB 3.41Å; T265-E267 PolarHBondContact OG1-N 3.14Å; E267-L269 PolarHBondContact O-N 3.23Å; E267-L269 WeakPolarHBondContact OE1-CA 3.44Å; E267-L269 VanDerWaalsContact OE1-CB 3.29Å; E267-L269 WeakPolarHBondContact OE1-CB 3.27Å; E267-L269 PolarHBondContact OE1-N 3.5Å; E267-Y270 PolarHBondContact O-N 3.16Å; E267-Y270 WeakPolarHBondContact OE2-CA 3.23Å; E267-Y270 WeakPolarHBondContact OE2-CB 3.33Å; E267-Y270 PolarHBondContact OE2-N 3.22Å; E267-V271 VanDerWaalsContact O-CG2 3.3Å; E267-V271 WeakPolarHBondContact O-CG2 3.33Å; E267-V271 PolarHBondContact O-N 3.05Å; E267-T375 HydrophobicContact CG-CG2 4.25Å; E267-T375 WeakPolarHBondContact OE1-CG2 3.38Å; E267-F379 HydrophobicContact CB-CD1 4.49Å; E267-F379 HydrophobicContact CB-CE1 4.44Å; E267-F379 HydrophobicContact CG-CD1 3.6Å; E267-F379 HydrophobicContact CG-CE1 3.26Å; E267-F379 HydrophobicContact CG-CZ 4.34Å
268I97.1Very high96.6Very high1 Ų144 Ų441%0.00522%0.215CC..Hα-helixtrans-68.9-34.8-163.4-164.962.9000114.2T72 A76 I79 F266 V271 Q272 L374T72-I268 HydrophobicContact CG2-CD1 4.09Å; A76-I268 HydrophobicContact CB-CD1 3.96Å; I79-I268 HydrophobicContact CD1-CB 4.24Å; I79-I268 HydrophobicContact CD1-CD1 4.48Å; I79-I268 HydrophobicContact CD1-CG1 3.34Å; I79-I268 HydrophobicContact CD1-CG2 3.83Å; F266-I268 PolarHBondContact O-N 2.81Å; I268-V271 PolarHBondContact O-N 3.2Å; I268-Q272 WeakPolarHBondContact O-CB 3.31Å; I268-Q272 WeakPolarHBondContact O-CG 3.42Å; I268-Q272 PolarHBondContact O-N 3.27Å; I268-L374 HydrophobicContact CG2-CB 3.82Å
269L97.2Very high96.7Very high63 Ų6343.8 Ų43.833%0.3321%0.213SC..Hα-helixtrans-70.3-38.7178.6-62.2178.9000111.1E267 Q272 L273 L371 T375E267-L269 PolarHBondContact O-N 3.23Å; E267-L269 WeakPolarHBondContact OE1-CA 3.44Å; E267-L269 VanDerWaalsContact OE1-CB 3.29Å; E267-L269 WeakPolarHBondContact OE1-CB 3.27Å; E267-L269 PolarHBondContact OE1-N 3.5Å; L269-Q272 PolarHBondContact O-N 3.07Å; L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 3.27Å; L269-L371 HydrophobicContact CD2-CD2 4.27Å; L269-T375 HydrophobicContact CD1-CG2 4.38Å; L269-T375 WeakPolarHBondContact CD1-OG1 3.37Å; L269-T375 WeakPolarHBondContact CG-OG1 3.49Å
270Y97.8Very high96.7Very high109 Ų10950.4 Ų50.443%0.42724%0.237SC..Hα-helixtrans-62.4-47.5171.3-171.3-80.8000111I263 T265 E267 Q272 L273 H274I263-Y270 HydrophobicContact CB-CE1 4.16Å; I263-Y270 HydrophobicContact CG2-CE1 4.22Å; T265-Y270 HydrophobicContact CG2-CD1 3.47Å; T265-Y270 VanDerWaalsContact CG2-CD1 3.47Å; T265-Y270 HydrophobicContact CG2-CE1 3.94Å; T265-Y270 HydrophobicContact CG2-CG 4.24Å; E267-Y270 PolarHBondContact O-N 3.16Å; E267-Y270 WeakPolarHBondContact OE2-CA 3.23Å; E267-Y270 WeakPolarHBondContact OE2-CB 3.33Å; E267-Y270 PolarHBondContact OE2-N 3.22Å; Y270-Q272 PolarHBondContact O-N 2.94Å; Y270-L273 PolarHBondContact O-N 3.46Å; Y270-H274 HydrophobicContact CD1-CB 3.63Å; Y270-H274 AromaticContact CD1-CG 3.9Å; Y270-H274 HydrophobicContact CD2-CB 4.04Å; Y270-H274 HydrophobicContact CE1-CB 3.41Å; Y270-H274 VanDerWaalsContact CE1-CB 3.41Å; Y270-H274 AromaticContact CE1-CG 3.54Å; Y270-H274 HydrophobicContact CE2-CB 3.85Å; Y270-H274 HydrophobicContact CG-CB 3.94Å; Y270-H274 WeakPolarHBondContact O-CB 2.96Å; Y270-H274 PolarHBondContact O-N 3.35Å; Y270-H274 PolarHBondContact O-ND1 2.95Å
271V98Very high96.9Very high0 Ų055.4 Ų55.40%026%0.256CS..Hα-helixtrans-52.4-44.5175.6171.70000110.3T72 Q144 V145 I263 T265 E267 I268T72-V271 HydrophobicContact CG2-CG2 4.38Å; Q144-V271 PolarHBondContact NE2-O 3.2Å; V145-V271 HydrophobicContact CG1-CG1 4.05Å; I263-V271 HydrophobicContact CD1-CB 4.4Å; I263-V271 HydrophobicContact CD1-CG1 4.49Å; I263-V271 HydrophobicContact CD1-CG2 3.81Å; T265-V271 HydrophobicContact CG2-CG2 4.49Å; E267-V271 VanDerWaalsContact O-CG2 3.3Å; E267-V271 WeakPolarHBondContact O-CG2 3.33Å; E267-V271 PolarHBondContact O-N 3.05Å; I268-V271 PolarHBondContact O-N 3.2Å
272Q98.1Very high97Very high3 Ų350.4 Ų50.41%0.01423%0.233CC..Hα-helixtrans-72-39.6-179.1-68-72.8-16.400114.2I79 Q160 S161 I268 L269 Y270I79-Q272 HydrophobicContact CG2-CG 4.37Å; Q160-Q272 PolarHBondContact O-NE2 2.81Å; Q160-Q272 VanDerWaalsContact O-NE2 3.1Å; S161-Q272 VanDerWaalsContact CA-OE1 3.24Å; S161-Q272 PolarHBondContact OG-OE1 3.17Å; I268-Q272 WeakPolarHBondContact O-CB 3.31Å; I268-Q272 WeakPolarHBondContact O-CG 3.42Å; I268-Q272 PolarHBondContact O-N 3.27Å; L269-Q272 PolarHBondContact O-N 3.07Å; Y270-Q272 PolarHBondContact O-N 2.94Å
273L97.9Very high97.2Very high78 Ų7848 Ų4841%0.40822%0.218SC..Hα-helixtrans-116.6-15.2-162.5-58.9178.1000115.4L269 Y270 Y275 Y276 V277L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 3.27Å; Y270-L273 PolarHBondContact O-N 3.46Å; L273-Y275 PolarHBondContact O-N 2.96Å; L273-Y275 VanDerWaalsContact O-N 3.15Å; L273-Y276 HydrophobicContact CD2-CD2 4.48Å; L273-Y276 PolarHBondContact O-N 3.39Å; L273-V277 PolarHBondContact O-N 2.87Å
274H97.8Very high97.3Very high26 Ų2655.2 Ų55.212%0.1224%0.243CC..Hα-helixtrans-58.7-35.7-171.178.2-76.1000112.9Q144 I263 Y270 V277 Y278Q144-H274 PolarHBondContact NE2-CE1 3.16Å; Q144-H274 PolarHBondContact OE1-CE1 3.22Å; I263-H274 WeakPolarHBondContact CG2-NE2 3.34Å; Y270-H274 HydrophobicContact CD1-CB 3.63Å; Y270-H274 AromaticContact CD1-CG 3.9Å; Y270-H274 HydrophobicContact CD2-CB 4.04Å; Y270-H274 HydrophobicContact CE1-CB 3.41Å; Y270-H274 VanDerWaalsContact CE1-CB 3.41Å; Y270-H274 AromaticContact CE1-CG 3.54Å; Y270-H274 HydrophobicContact CE2-CB 3.85Å; Y270-H274 HydrophobicContact CG-CB 3.94Å; Y270-H274 WeakPolarHBondContact O-CB 2.96Å; Y270-H274 PolarHBondContact O-N 3.35Å; Y270-H274 PolarHBondContact O-ND1 2.95Å; H274-V277 PolarHBondContact O-N 3.44Å; H274-Y278 WeakPolarHBondContact O-CB 3.47Å; H274-Y278 PolarHBondContact O-N 2.75Å
275Y98Very high97.4Very high22 Ų2256 Ų569%0.08625%0.251CS..Hα-helixtrans-69.5-35.8-176.5-161.4-93.6000112A137 W140 A141 Q144 L273 V277 Y278 L279 P300A137-Y275 WeakPolarHBondContact O-CE1 3.48Å; W140-Y275 AromaticContact CD1-CE1 3.54Å; W140-Y275 AromaticContact CD1-CE2 3.86Å; W140-Y275 AromaticContact CD1-CZ 3.42Å; W140-Y275 VanDerWaalsContact CD1-CZ 3.42Å; W140-Y275 HydrophobicContact CG-CE1 4.49Å; W140-Y275 AromaticContact NE1-CE2 3.93Å; W140-Y275 AromaticContact NE1-CZ 3.95Å; A141-Y275 HydrophobicContact CB-CD1 3.62Å; A141-Y275 HydrophobicContact CB-CE1 4.44Å; A141-Y275 HydrophobicContact CB-CG 4.48Å; Q144-Y275 HydrophobicContact CG-CG 4.37Å; L273-Y275 PolarHBondContact O-N 2.96Å; L273-Y275 VanDerWaalsContact O-N 3.15Å; Y275-V277 PolarHBondContact O-N 3.04Å; Y275-Y278 HydrophobicContact CD2-CD1 4.13Å; Y275-Y278 AromaticContact CE2-CD1 3.8Å; Y275-Y278 HydrophobicContact CE2-CD1 3.8Å; Y275-Y278 HydrophobicContact CE2-CE1 4.05Å; Y275-Y278 WeakPolarHBondContact O-CB 3.47Å; Y275-Y278 PolarHBondContact O-N 2.88Å; Y275-L279 HydrophobicContact CD1-CD1 3.99Å; Y275-L279 HydrophobicContact CD1-CD2 4.38Å; Y275-L279 HydrophobicContact CD1-CG 3.93Å; Y275-L279 HydrophobicContact CE1-CD1 3.8Å; Y275-L279 HydrophobicContact CE1-CD2 3.64Å; Y275-L279 HydrophobicContact CE1-CG 3.69Å; Y275-L279 WeakPolarHBondContact O-CG 3.32Å; Y275-L279 PolarHBondContact O-N 2.89Å; Y275-P300 WeakPolarHBondContact OH-CA 3.23Å; Y275-P300 WeakPolarHBondContact OH-CB 3.33Å
276Y98.1Very high97.5Very high57 Ų5757.3 Ų57.322%0.22426%0.255CS..Hα-helixtrans-61-44.8171.8-68.8-80000111.8I138 A141 A142 T163 L273 Y278 L279 W280I138-Y276 HydrophobicContact CD1-CD1 3.63Å; I138-Y276 HydrophobicContact CD1-CE1 3.48Å; I138-Y276 VanDerWaalsContact CD1-CE1 3.48Å; I138-Y276 HydrophobicContact CG1-CE1 4.4Å; A141-Y276 HydrophobicContact CB-CD1 3.69Å; A141-Y276 HydrophobicContact CB-CD2 3.96Å; A141-Y276 HydrophobicContact CB-CE1 3.42Å; A141-Y276 VanDerWaalsContact CB-CE1 3.42Å; A141-Y276 HydrophobicContact CB-CE2 3.71Å; A141-Y276 HydrophobicContact CB-CG 3.95Å; A141-Y276 VanDerWaalsContact CB-CZ 3.44Å; A142-Y276 WeakPolarHBondContact CB-OH 3.38Å; A142-Y276 PolarHBondContact N-OH 2.84Å; T163-Y276 VanDerWaalsContact CB-OH 3.28Å; T163-Y276 WeakPolarHBondContact CB-OH 3.41Å; T163-Y276 HydrophobicContact CG2-CE2 4.3Å; T163-Y276 PolarHBondContact OG1-OH 3.15Å; L273-Y276 HydrophobicContact CD2-CD2 4.48Å; L273-Y276 PolarHBondContact O-N 3.39Å; Y276-Y278 VanDerWaalsContact C-N 3.29Å; Y276-Y278 PolarHBondContact O-N 2.71Å; Y276-L279 PolarHBondContact O-N 2.71Å; Y276-W280 PolarHBondContact O-N 3.35Å
277V98Very high97.4Very high73 Ų7366.5 Ų66.544%0.44230%0.295SS..Hα-helixtrans-62.7-39.4175.8178.30000110.7L273 H274 Y275 W280 K281L273-V277 PolarHBondContact O-N 2.87Å; H274-V277 PolarHBondContact O-N 3.44Å; Y275-V277 PolarHBondContact O-N 3.04Å; V277-W280 PolarHBondContact O-N 2.88Å; V277-K281 HydrophobicContact CG1-CD 4.09Å; V277-K281 HydrophobicContact CG1-CG 4.43Å; V277-K281 WeakPolarHBondContact O-CB 3.38Å; V277-K281 WeakPolarHBondContact O-CG 3.36Å; V277-K281 PolarHBondContact O-N 3.46Å
278Y97.6Very high97.4Very high98 Ų9868.9 Ų68.938%0.38431%0.31SS..Hα-helixtrans-60.4-49.4174.6166.8-98.9000111.9H274 Y275 Y276 W280 K281 R282H274-Y278 WeakPolarHBondContact O-CB 3.47Å; H274-Y278 PolarHBondContact O-N 2.75Å; Y275-Y278 HydrophobicContact CD2-CD1 4.13Å; Y275-Y278 AromaticContact CE2-CD1 3.8Å; Y275-Y278 HydrophobicContact CE2-CD1 3.8Å; Y275-Y278 HydrophobicContact CE2-CE1 4.05Å; Y275-Y278 WeakPolarHBondContact O-CB 3.47Å; Y275-Y278 PolarHBondContact O-N 2.88Å; Y276-Y278 VanDerWaalsContact C-N 3.29Å; Y276-Y278 PolarHBondContact O-N 2.71Å; Y278-W280 VanDerWaalsContact C-N 3.32Å; Y278-W280 PolarHBondContact O-N 3.44Å; Y278-K281 PolarHBondContact O-N 3.23Å; Y278-R282 VanDerWaalsContact O-CB 3.24Å; Y278-R282 WeakPolarHBondContact O-CB 3.21Å; Y278-R282 PolarHBondContact O-N 2.95Å; Y278-R282 PolarHBondContact OH-NH1 2.77Å
279L98.1Very high97.4Very high0 Ų074.1 Ų74.10%034%0.342CS..Hα-helixtrans-59.9-42.8177.7-66.3-179.3000111.9A137 I138 A141 Y275 Y276 R282 S283 T295 F296A137-L279 HydrophobicContact CB-CD1 4.15Å; A137-L279 HydrophobicContact CB-CD2 3.87Å; I138-L279 HydrophobicContact CD1-CD1 4.32Å; A141-L279 HydrophobicContact CB-CD1 4.34Å; Y275-L279 HydrophobicContact CD1-CD1 3.99Å; Y275-L279 HydrophobicContact CD1-CD2 4.38Å; Y275-L279 HydrophobicContact CD1-CG 3.93Å; Y275-L279 HydrophobicContact CE1-CD1 3.8Å; Y275-L279 HydrophobicContact CE1-CD2 3.64Å; Y275-L279 HydrophobicContact CE1-CG 3.69Å; Y275-L279 WeakPolarHBondContact O-CG 3.32Å; Y275-L279 PolarHBondContact O-N 2.89Å; Y276-L279 PolarHBondContact O-N 2.71Å; L279-R282 PolarHBondContact O-N 3.2Å; L279-S283 WeakPolarHBondContact O-CB 3.47Å; L279-S283 PolarHBondContact O-N 3.01Å; L279-T295 HydrophobicContact CB-CG2 4.46Å; L279-T295 HydrophobicContact CD2-CG2 4.09Å; L279-F296 HydrophobicContact CB-CD1 3.95Å; L279-F296 HydrophobicContact CB-CE1 3.63Å; L279-F296 HydrophobicContact CB-CZ 4.41Å; L279-F296 HydrophobicContact CD1-CD1 4.04Å; L279-F296 HydrophobicContact CD1-CE1 4.47Å
280W98Very high97.4Very high154 Ų15474.9 Ų74.958%0.58335%0.353SS*.Hα-helixtrans-62.8-46.8176.4-178.5-106.5000112.6Y276 V277 Y278 R282 S283 R284 F296Y276-W280 PolarHBondContact O-N 3.35Å; V277-W280 PolarHBondContact O-N 2.88Å; Y278-W280 VanDerWaalsContact C-N 3.32Å; Y278-W280 PolarHBondContact O-N 3.44Å; W280-R282 VanDerWaalsContact C-N 3.34Å; W280-R282 PolarHBondContact O-N 3.05Å; W280-S283 PolarHBondContact O-OG 3.48Å; W280-R284 WeakPolarHBondContact O-CG 3.34Å; W280-R284 PolarHBondContact O-N 3.32Å; W280-F296 HydrophobicContact CE3-CZ 4.27Å
281K97.9Very high97.4Very high140 Ų14071.3 Ų71.361%0.60934%0.341SS*.Hα-helixtrans-63.6-42177.1-74.5178.3179.3179.20111.4V277 Y278 R284V277-K281 HydrophobicContact CG1-CD 4.09Å; V277-K281 HydrophobicContact CG1-CG 4.43Å; V277-K281 WeakPolarHBondContact O-CB 3.38Å; V277-K281 WeakPolarHBondContact O-CG 3.36Å; V277-K281 PolarHBondContact O-N 3.46Å; Y278-K281 PolarHBondContact O-N 3.23Å; K281-R284 PolarHBondContact O-N 3.4Å
282R95.9Very high97.4Very high25 Ų2575.3 Ų75.39%0.09436%0.358CS..Hα-helixtrans-64.4-45178.8-176.5177.1-175.4172.45.1111.9Y278 L279 W280 R284 T285 Y286 T295 P300 W302 K303Y278-R282 VanDerWaalsContact O-CB 3.24Å; Y278-R282 WeakPolarHBondContact O-CB 3.21Å; Y278-R282 PolarHBondContact O-N 2.95Å; Y278-R282 PolarHBondContact OH-NH1 2.77Å; L279-R282 PolarHBondContact O-N 3.2Å; W280-R282 VanDerWaalsContact C-N 3.34Å; W280-R282 PolarHBondContact O-N 3.05Å; R282-R284 PolarHBondContact O-N 3.15Å; R282-T285 PolarHBondContact O-N 2.89Å; R282-T285 PolarHBondContact O-OG1 3.45Å; R282-Y286 HydrophobicContact CG-CE2 4.06Å; R282-Y286 PolarHBondContact NE-OH 2.87Å; R282-T295 HydrophobicContact CB-CG2 4.11Å; R282-T295 HydrophobicContact CG-CG2 4.03Å; R282-P300 PolarHBondContact NH1-O 3.43Å; R282-W302 PolarHBondContact NH2-O 3.48Å; R282-K303 VanDerWaalsContact NH2-CG 3.28Å
283S97.5Very high97.4Very high7 Ų778.8 Ų78.85%0.04938%0.38CS..Hα-helixtrans-60-37.5179.474.30000111.1L279 W280 T285 Y286 K292L279-S283 WeakPolarHBondContact O-CB 3.47Å; L279-S283 PolarHBondContact O-N 3.01Å; W280-S283 PolarHBondContact O-OG 3.48Å; S283-T285 PolarHBondContact O-N 3.45Å; S283-Y286 PolarHBondContact O-N 3Å; S283-Y286 VanDerWaalsContact O-N 3.12Å; S283-K292 VanDerWaalsContact O-CG 3.31Å; S283-K292 WeakPolarHBondContact O-CG 3.26Å
284R97.4Very high97.4Very high184 Ų18475.4 Ų75.469%0.69436%0.363SS*.THydrogen-bonded Turntrans-64.6-17.5177.1-69.1179.769.2177.63.4114.6W280 K281 R282W280-R284 WeakPolarHBondContact O-CG 3.34Å; W280-R284 PolarHBondContact O-N 3.32Å; K281-R284 PolarHBondContact O-N 3.4Å; R282-R284 PolarHBondContact O-N 3.15Å
285T97Very high97.4Very high101 Ų10174.4 Ų74.462%0.6236%0.359SS*.THydrogen-bonded Turntrans-81.9-18.9175.973.70000112.7R282 S283R282-T285 PolarHBondContact O-N 2.89Å; R282-T285 PolarHBondContact O-OG1 3.45Å; S283-T285 PolarHBondContact O-N 3.45Å
286Y96.6Very high97.4Very high38 Ų3875.9 Ų75.915%0.14937%0.365CS..  trans-87.1142.6179.6-59.2-40000112.4R282 S283 D291 K292 T295 W302 P304R282-Y286 HydrophobicContact CG-CE2 4.06Å; R282-Y286 PolarHBondContact NE-OH 2.87Å; S283-Y286 PolarHBondContact O-N 3Å; S283-Y286 VanDerWaalsContact O-N 3.12Å; Y286-D291 HydrophobicContact CD2-CB 4.05Å; Y286-D291 HydrophobicContact CG-CB 3.97Å; Y286-K292 WeakPolarHBondContact O-CE 3.45Å; Y286-T295 WeakPolarHBondContact CD2-OG1 3.38Å; Y286-T295 WeakPolarHBondContact CE2-OG1 3.49Å; Y286-W302 HydrophobicContact CD2-CZ3 4.5Å; Y286-W302 HydrophobicContact CE2-CZ3 4.02Å; Y286-P304 HydrophobicContact CD1-CG 3.76Å; Y286-P304 HydrophobicContact CD2-CG 4.43Å; Y286-P304 VanDerWaalsContact CE1-CD 3.49Å; Y286-P304 HydrophobicContact CE1-CG 3.65Å; Y286-P304 HydrophobicContact CE2-CG 4.33Å; Y286-P304 HydrophobicContact CG-CG 4.18Å; Y286-P304 VanDerWaalsContact CZ-CD 3.43Å
287K95.2Very high97.4Very high202 Ų20277.7 Ų77.788%0.87838%0.378SS*.SBendtrans-80.3-42.8-175.1-63.9-175.1-179.5-178.80112.5
288T97.2Very high97.3Very high65 Ų6576.9 Ų76.940%0.39937%0.369SS..SBendtrans-86.2148.9-173.779.40000111.9S290 D291 K292T288-S290 VanDerWaalsContact C-N 3.29Å; T288-S290 PolarHBondContact O-N 3.01Å; T288-D291 PolarHBondContact O-N 3.22Å; T288-D291 WeakPolarHBondContact OG1-CB 3.3Å; T288-D291 PolarHBondContact OG1-N 3.4Å; T288-D291 PolarHBondContact OG1-OD2 2.89Å; T288-K292 WeakPolarHBondContact O-CG 3.4Å; T288-K292 PolarHBondContact O-N 3.27Å; T288-K292 VanDerWaalsContact O-N 3.13Å
289V97.2Very high97.3Very high111 Ų11172.4 Ų72.467%0.67335%0.352SS*.Hα-helixtrans-63.5-37.9175177.70000111.1D291 K292 V293V289-D291 VanDerWaalsContact C-N 3.34Å; V289-D291 PolarHBondContact O-N 3.38Å; V289-K292 WeakPolarHBondContact O-CB 3.4Å; V289-K292 PolarHBondContact O-N 3.24Å; V289-V293 HydrophobicContact CG1-CG2 4.38Å; V289-V293 WeakPolarHBondContact O-CG2 3.24Å; V289-V293 PolarHBondContact O-N 3.44Å
290S97Very high97.1Very high79 Ų7973.6 Ų73.655%0.55236%0.36SS*.Hα-helixtrans-58.2-44.2176.1174.50000112.3T288 V293 S294T288-S290 VanDerWaalsContact C-N 3.29Å; T288-S290 PolarHBondContact O-N 3.01Å; S290-V293 PolarHBondContact O-N 3.1Å; S290-S294 WeakPolarHBondContact O-CB 3.33Å; S290-S294 PolarHBondContact O-N 3.29Å; S290-S294 PolarHBondContact O-OG 2.87Å
291D97.4Very high96.7Very high34 Ų3467.6 Ų67.618%0.18234%0.341CS..Hα-helixtrans-70.3-35.8178.7-65.4-36.5000112.1Y286 T288 V289 S294 T295 W302 P304Y286-D291 HydrophobicContact CD2-CB 4.05Å; Y286-D291 HydrophobicContact CG-CB 3.97Å; T288-D291 PolarHBondContact O-N 3.22Å; T288-D291 WeakPolarHBondContact OG1-CB 3.3Å; T288-D291 PolarHBondContact OG1-N 3.4Å; T288-D291 PolarHBondContact OG1-OD2 2.89Å; V289-D291 VanDerWaalsContact C-N 3.34Å; V289-D291 PolarHBondContact O-N 3.38Å; D291-S294 PolarHBondContact O-N 3.28Å; D291-T295 PolarHBondContact O-N 3.49Å; D291-T295 PolarHBondContact O-OG1 3.19Å; D291-W302 HydrophobicContact CB-CH2 4.07Å; D291-W302 WeakPolarHBondContact OD1-CH2 3.41Å; D291-P304 HydrophobicContact CB-CG 4.09Å
292K97.8Very high96.6Very high84 Ų8461.1 Ų61.137%0.36531%0.313SS..Hα-helixtrans-58.9-51.2173.4-72.6175.5-177.6-175.10111.1S283 Y286 T288 V289 T295 F296S283-K292 VanDerWaalsContact O-CG 3.31Å; S283-K292 WeakPolarHBondContact O-CG 3.26Å; Y286-K292 WeakPolarHBondContact O-CE 3.45Å; T288-K292 WeakPolarHBondContact O-CG 3.4Å; T288-K292 PolarHBondContact O-N 3.27Å; T288-K292 VanDerWaalsContact O-N 3.13Å; V289-K292 WeakPolarHBondContact O-CB 3.4Å; V289-K292 PolarHBondContact O-N 3.24Å; K292-T295 VanDerWaalsContact O-CB 3.24Å; K292-T295 WeakPolarHBondContact O-CB 3.28Å; K292-T295 PolarHBondContact O-N 3.44Å; K292-T295 PolarHBondContact O-OG1 3.37Å; K292-F296 VanDerWaalsContact O-CD2 3.27Å; K292-F296 WeakPolarHBondContact O-CD2 3.25Å
293V97.8Very high96.5Very high77 Ų7764.7 Ų64.747%0.46733%0.329SS..Hα-helixtrans-64.9-43.8177.6175.30000110.8V289 S290 T295 F296 I297V289-V293 HydrophobicContact CG1-CG2 4.38Å; V289-V293 WeakPolarHBondContact O-CG2 3.24Å; V289-V293 PolarHBondContact O-N 3.44Å; S290-V293 PolarHBondContact O-N 3.1Å; V293-T295 PolarHBondContact O-N 3.49Å; V293-T295 VanDerWaalsContact O-N 3.13Å; V293-F296 PolarHBondContact O-N 3.49Å; V293-I297 HydrophobicContact CG1-CD1 3.95Å; V293-I297 HydrophobicContact CG1-CG1 4.34Å; V293-I297 HydrophobicContact CG1-CG2 4.42Å; V293-I297 PolarHBondContact O-N 2.94Å
294S97.9Very high96.3Very high6 Ų666.8 Ų66.84%0.04234%0.342CS..Hα-helixtrans-55.5-31.3177.8-71.10000113.1S290 D291 F296 I297 K298S290-S294 WeakPolarHBondContact O-CB 3.33Å; S290-S294 PolarHBondContact O-N 3.29Å; S290-S294 PolarHBondContact O-OG 2.87Å; D291-S294 PolarHBondContact O-N 3.28Å; S294-F296 PolarHBondContact O-N 3.32Å; S294-I297 PolarHBondContact O-N 3.36Å; S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.38Å; S294-K298 PolarHBondContact O-N 3.1Å; S294-K298 VanDerWaalsContact OG-CE 3.32Å; S294-K298 WeakPolarHBondContact OG-CE 3.37Å; S294-K298 PolarHBondContact OG-NZ 2.99Å
295T97.6Very high96Very high6 Ų662.2 Ų62.24%0.03735%0.353CS..Hα-helixtrans-54.9-33.1174.4-55.40000112.9A137 L279 R282 Y286 D291 K292 V293A137-T295 VanDerWaalsContact CB-O 3.27Å; A137-T295 WeakPolarHBondContact CB-O 3.3Å; L279-T295 HydrophobicContact CB-CG2 4.46Å; L279-T295 HydrophobicContact CD2-CG2 4.09Å; R282-T295 HydrophobicContact CB-CG2 4.11Å; R282-T295 HydrophobicContact CG-CG2 4.03Å; Y286-T295 WeakPolarHBondContact CD2-OG1 3.38Å; Y286-T295 WeakPolarHBondContact CE2-OG1 3.49Å; D291-T295 PolarHBondContact O-N 3.49Å; D291-T295 PolarHBondContact O-OG1 3.19Å; K292-T295 VanDerWaalsContact O-CB 3.24Å; K292-T295 WeakPolarHBondContact O-CB 3.28Å; K292-T295 PolarHBondContact O-N 3.44Å; K292-T295 PolarHBondContact O-OG1 3.37Å; V293-T295 PolarHBondContact O-N 3.49Å; V293-T295 VanDerWaalsContact O-N 3.13Å
296F97.9Very high95.8Very high52 Ų5261.4 Ų61.423%0.22834%0.341CS..Hα-helixtrans-95.1-33.3-176.8-61-83.4000113A137 I138 L279 W280 K292 V293 S294A137-F296 PolarHBondContact N-O 3Å; I138-F296 HydrophobicContact CB-CB 4.43Å; I138-F296 HydrophobicContact CD1-CD1 4.26Å; I138-F296 WeakPolarHBondContact CG2-O 3.44Å; I138-F296 PolarHBondContact N-O 3.4Å; L279-F296 HydrophobicContact CB-CD1 3.95Å; L279-F296 HydrophobicContact CB-CE1 3.63Å; L279-F296 HydrophobicContact CB-CZ 4.41Å; L279-F296 HydrophobicContact CD1-CD1 4.04Å; L279-F296 HydrophobicContact CD1-CE1 4.47Å; W280-F296 HydrophobicContact CE3-CZ 4.27Å; K292-F296 VanDerWaalsContact O-CD2 3.27Å; K292-F296 WeakPolarHBondContact O-CD2 3.25Å; V293-F296 PolarHBondContact O-N 3.49Å; S294-F296 PolarHBondContact O-N 3.32Å
297I97.6Very high95.7Very high95 Ų9569.9 Ų69.949%0.48737%0.372SS..Hα-helixtrans-99.3-16.4-171.465.9170.1000114.5V293 S294V293-I297 HydrophobicContact CG1-CD1 3.95Å; V293-I297 HydrophobicContact CG1-CG1 4.34Å; V293-I297 HydrophobicContact CG1-CG2 4.42Å; V293-I297 PolarHBondContact O-N 2.94Å; S294-I297 PolarHBondContact O-N 3.36Å
298K97.6Very high95.7Very high57 Ų5765.6 Ų65.625%0.24835%0.35CS..SBendtrans-96.5175.5175.9-64.6-172.3-176158.40110.4A137 S294 W302 R308A137-K298 WeakPolarHBondContact CB-O 3.41Å; A137-K298 PolarHBondContact N-O 3.29Å; S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.38Å; S294-K298 PolarHBondContact O-N 3.1Å; S294-K298 VanDerWaalsContact OG-CE 3.32Å; S294-K298 WeakPolarHBondContact OG-CE 3.37Å; S294-K298 PolarHBondContact OG-NZ 2.99Å; K298-W302 HydrophobicContact CB-CB 3.73Å; K298-W302 HydrophobicContact CB-CD2 3.99Å; K298-W302 HydrophobicContact CB-CG 3.55Å; K298-W302 HydrophobicContact CD-CD2 3.66Å; K298-W302 VanDerWaalsContact CD-CE2 3.44Å; K298-W302 HydrophobicContact CD-CE3 4.5Å; K298-W302 HydrophobicContact CD-CG 3.67Å; K298-W302 HydrophobicContact CD-CZ2 4.12Å; K298-W302 VanDerWaalsContact CD-NE1 3.29Å; K298-W302 HydrophobicContact CG-CD2 4.42Å; K298-W302 HydrophobicContact CG-CG 4.26Å; K298-R308 HydrophobicContact CB-CG 4.48Å; K298-R308 WeakPolarHBondContact CB-O 3.23Å; K298-R308 HydrophobicContact CG-CG 4.22Å
299G96Very high95.5Very high3 Ų364.4 Ų64.43%0.03134%0.342CS..  trans-65.4158.8-172.600000113.4E135 S301 W302 R308E135-G299 VanDerWaalsContact O-CA 3.28Å; E135-G299 WeakPolarHBondContact O-CA 3.49Å; E135-G299 PolarHBondContact O-N 2.86Å; G299-S301 PolarHBondContact O-N 3.35Å; G299-W302 WeakPolarHBondContact O-CB 3.47Å; G299-W302 PolarHBondContact O-N 2.94Å; G299-R308 PolarHBondContact N-O 3.46Å
300P93.8Very high95.2Very high26 Ų2659.5 Ų59.517%0.16931%0.314CS..THydrogen-bonded Turntrans-50.6-33.5-178.4-31.938.4000114.8H134 W140 Y275 R282H134-P300 WeakPolarHBondContact O-CD 3.22Å; H134-P300 WeakPolarHBondContact O-CG 3.47Å; W140-P300 HydrophobicContact CB-CG 3.83Å; W140-P300 HydrophobicContact CD2-CG 4.23Å; W140-P300 HydrophobicContact CG-CB 4.42Å; W140-P300 HydrophobicContact CG-CG 3.57Å; Y275-P300 WeakPolarHBondContact OH-CA 3.23Å; Y275-P300 WeakPolarHBondContact OH-CB 3.33Å; R282-P300 PolarHBondContact NH1-O 3.43Å
301S91.4Very high94.6Very high27 Ų2758.4 Ų58.419%0.18930%0.302CS..BIsolated β-bridgetrans-91.5-0.7-177.8-54.40000113.5G299 L309G299-S301 PolarHBondContact O-N 3.35Å; S301-L309 WeakPolarHBondContact CB-O 3.39Å
302W94.9Very high94.1Very high5 Ų558.9 Ų58.92%0.01930%0.302CS..  trans-65.4132.4-174.4177.781.3000113.6R282 Y286 D291 K298 G299 P304 K306 R307R282-W302 PolarHBondContact NH2-O 3.48Å; Y286-W302 HydrophobicContact CD2-CZ3 4.5Å; Y286-W302 HydrophobicContact CE2-CZ3 4.02Å; D291-W302 HydrophobicContact CB-CH2 4.07Å; D291-W302 WeakPolarHBondContact OD1-CH2 3.41Å; K298-W302 HydrophobicContact CB-CB 3.73Å; K298-W302 HydrophobicContact CB-CD2 3.99Å; K298-W302 HydrophobicContact CB-CG 3.55Å; K298-W302 HydrophobicContact CD-CD2 3.66Å; K298-W302 VanDerWaalsContact CD-CE2 3.44Å; K298-W302 HydrophobicContact CD-CE3 4.5Å; K298-W302 HydrophobicContact CD-CG 3.67Å; K298-W302 HydrophobicContact CD-CZ2 4.12Å; K298-W302 VanDerWaalsContact CD-NE1 3.29Å; K298-W302 HydrophobicContact CG-CD2 4.42Å; K298-W302 HydrophobicContact CG-CG 4.26Å; G299-W302 WeakPolarHBondContact O-CB 3.47Å; G299-W302 PolarHBondContact O-N 2.94Å; W302-P304 HydrophobicContact CH2-CB 4.38Å; W302-P304 HydrophobicContact CH2-CG 3.84Å; W302-P304 HydrophobicContact CZ2-CG 4.44Å; W302-P304 HydrophobicContact CZ3-CG 4.36Å; W302-K306 PolarHBondContact NE1-O 3.32Å; W302-R307 VanDerWaalsContact CD1-O 3.24Å
303K93.3Very high93.1Very high99 Ų9960.2 Ų60.243%0.4332%0.317SS..  trans-128.7157.2170-64.8172.8-173.91670109.4R282 G305 K306R282-K303 VanDerWaalsContact NH2-CG 3.28Å; K303-G305 PolarHBondContact O-N 3.45Å; K303-K306 HydrophobicContact CB-CG 4.18Å; K303-K306 WeakPolarHBondContact O-CB 3.29Å; K303-K306 PolarHBondContact O-N 2.9Å
304P94.5Very high92.3Very high51 Ų5161 Ų6133%0.33132%0.319SS..THydrogen-bonded Turntrans-49132.4171.9-2834.9000111.6Y286 D291 W302 K306Y286-P304 HydrophobicContact CD1-CG 3.76Å; Y286-P304 HydrophobicContact CD2-CG 4.43Å; Y286-P304 VanDerWaalsContact CE1-CD 3.49Å; Y286-P304 HydrophobicContact CE1-CG 3.65Å; Y286-P304 HydrophobicContact CE2-CG 4.33Å; Y286-P304 HydrophobicContact CG-CG 4.18Å; Y286-P304 VanDerWaalsContact CZ-CD 3.43Å; D291-P304 HydrophobicContact CB-CG 4.09Å; W302-P304 HydrophobicContact CH2-CB 4.38Å; W302-P304 HydrophobicContact CH2-CG 3.84Å; W302-P304 HydrophobicContact CZ2-CG 4.44Å; W302-P304 HydrophobicContact CZ3-CG 4.36Å; P304-K306 VanDerWaalsContact C-N 3.31Å; P304-K306 PolarHBondContact O-N 2.93Å
305G91.5Very high91.7Very high88 Ų8861.7 Ų61.791%0.90732%0.322SS*.THydrogen-bonded Turntrans81-6.7-176.500000116.2K303K303-G305 PolarHBondContact O-N 3.45Å
306K92.4Very high91.3Very high85 Ų8564.5 Ų64.537%0.3734%0.341SS..SBendtrans-96.2163.4174.7-62.3-69.6-162.8158.10112W302 K303 P304 D311 D314W302-K306 PolarHBondContact NE1-O 3.32Å; K303-K306 HydrophobicContact CB-CG 4.18Å; K303-K306 WeakPolarHBondContact O-CB 3.29Å; K303-K306 PolarHBondContact O-N 2.9Å; P304-K306 VanDerWaalsContact C-N 3.31Å; P304-K306 PolarHBondContact O-N 2.93Å; K306-D311 HydrophobicContact CD-CB 4.17Å; K306-D311 IonicContact NZ-OD2 2.94Å; K306-D311 PolarHBondContact NZ-OD2 3.4Å; K306-D314 IonicContact NZ-OD2 3.86Å
307R93.9Very high90.9Very high215 Ų21571 Ų7181%0.81137%0.369SS*.  trans-58.6158.8176-66.1-177.8178.6179.90.1111.6W302 L309 G310W302-R307 VanDerWaalsContact CD1-O 3.24Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 2.94Å; R307-L309 VanDerWaalsContact O-N 3.12Å; R307-G310 WeakPolarHBondContact O-CA 3.4Å; R307-G310 PolarHBondContact O-N 2.8Å
308R95.4Very high90.6Very high112 Ų11268.3 Ų68.342%0.42336%0.357SS..THydrogen-bonded Turntrans-48.2-43.5-174.4-169.9-174.274.691.5-5.8114.4E135 K298 G299 G310E135-R308 PolarHBondContact O-NH1 3.48Å; E135-R308 IonicContact OE2-CZ 3.95Å; E135-R308 IonicContact OE2-NH2 3.36Å; E135-R308 PolarHBondContact OE2-NH2 3.33Å; K298-R308 HydrophobicContact CB-CG 4.48Å; K298-R308 WeakPolarHBondContact CB-O 3.23Å; K298-R308 HydrophobicContact CG-CG 4.22Å; G299-R308 PolarHBondContact N-O 3.46Å; R308-G310 VanDerWaalsContact C-N 3.29Å
309L93.8Very high90.2Very high41 Ų4170.1 Ų70.122%0.21537%0.373CS..THydrogen-bonded Turntrans-83.6-7.5-179.6-62.2-177.6000113.7E135 S301 R307E135-L309 HydrophobicContact CB-CD2 3.6Å; E135-L309 HydrophobicContact CG-CD1 4.27Å; E135-L309 HydrophobicContact CG-CD2 3.68Å; S301-L309 WeakPolarHBondContact CB-O 3.39Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 2.94Å; R307-L309 VanDerWaalsContact O-N 3.12Å
310G89.8Confident89.7Confident8 Ų870.8 Ų70.88%0.08238%0.38CS..BIsolated β-bridgetrans89.9-165.8-167.400000111.8R307 R308R307-G310 WeakPolarHBondContact O-CA 3.4Å; R307-G310 PolarHBondContact O-N 2.8Å; R308-G310 VanDerWaalsContact C-N 3.29Å
311D84.9Confident89.5Confident56 Ų5676 Ų7630%0.29941%0.406SS..  trans-123.5110.2178.8-171.6-8.6000107.4K306 V313K306-D311 HydrophobicContact CD-CB 4.17Å; K306-D311 IonicContact NZ-OD2 2.94Å; K306-D311 PolarHBondContact NZ-OD2 3.4Å; D311-V313 PolarHBondContact O-N 3.45Å; D311-V313 WeakPolarHBondContact OD1-CB 3.39Å; D311-V313 WeakPolarHBondContact OD1-CG2 3.42Å; D311-V313 PolarHBondContact OD1-N 2.94Å
312H86.4Confident89.5Confident43 Ų4377.3 Ų77.320%0.19941%0.409CS..G310 helixtrans-79.5-8-175.3-50.9-71.2000112.3L227 D231 D314 N315L227-H312 HydrophobicContact CD1-CB 3.62Å; L227-H312 WeakPolarHBondContact CD1-O 3.45Å; D231-H312 IonicContact OD2-CE1 3.35Å; D231-H312 PolarHBondContact OD2-CE1 3.28Å; D231-H312 IonicContact OD2-NE2 3.49Å; D231-H312 PolarHBondContact OD2-NE2 2.92Å; H312-D314 PolarHBondContact O-N 3.31Å; H312-N315 VanDerWaalsContact O-CB 3.24Å; H312-N315 WeakPolarHBondContact O-CB 3.32Å; H312-N315 PolarHBondContact O-N 3.25Å
313V77.3Confident89.2Confident112 Ų11285.9 Ų85.968%0.67945%0.447SS*.G310 helixtrans-63.5-27.8175.1-178.70000111.2D311 N315D311-V313 PolarHBondContact O-N 3.45Å; D311-V313 WeakPolarHBondContact OD1-CB 3.39Å; D311-V313 WeakPolarHBondContact OD1-CG2 3.42Å; D311-V313 PolarHBondContact OD1-N 2.94Å; V313-N315 VanDerWaalsContact C-N 3.27Å; V313-N315 PolarHBondContact O-N 3.35Å
314D79.5Confident89.2Confident94 Ų9483.6 Ų83.650%0.50344%0.442SS..G310 helixtrans-81.5-3.1177.4-65.1-26.4000113K306 H312K306-D314 IonicContact NZ-OD2 3.86Å; H312-D314 PolarHBondContact O-N 3.31Å
315N87.2Confident89.2Confident21 Ų2183.7 Ų83.711%0.11244%0.438CS..SBendtrans-69150.5177.9-72.5-9.2000111V260 H312 V313 K317V260-N315 HydrophobicContact CG1-CB 3.87Å; H312-N315 VanDerWaalsContact O-CB 3.24Å; H312-N315 WeakPolarHBondContact O-CB 3.32Å; H312-N315 PolarHBondContact O-N 3.25Å; V313-N315 VanDerWaalsContact C-N 3.27Å; V313-N315 PolarHBondContact O-N 3.35Å; N315-K317 PolarHBondContact O-N 3.22Å
316P87.9Confident89.1Confident65 Ų6581.6 Ų81.642%0.42242%0.416SS..PPolyproline II helixtrans-51.3129.7170.9-26.135.5000111.3F261 V318F261-P316 HydrophobicContact CD1-CG 4.03Å; F261-P316 HydrophobicContact CE1-CG 3.71Å; F261-P316 HydrophobicContact CZ-CG 4.33Å; P316-V318 PolarHBondContact O-N 3.14Å
317K89.1Confident89Confident188 Ų18879 Ų7982%0.81741%0.407SS*.PPolyproline II helixtrans-72.1126.3178.7-68.1-172.5179.2-1770109.8N315N315-K317 PolarHBondContact O-N 3.22Å
318V91.9Very high88.8Confident38 Ų3878.1 Ų78.123%0.2341%0.41CS..PPolyproline II helixtrans-84.7126.4174.5177.40000109.4R225 V256 P316 E322R225-V318 HydrophobicContact CG-CG2 4.09Å; R225-V318 WeakPolarHBondContact O-CG2 3.45Å; V256-V318 HydrophobicContact CB-CG1 3.6Å; V256-V318 HydrophobicContact CG1-CG1 4.16Å; V256-V318 HydrophobicContact CG2-CG1 3.38Å; P316-V318 PolarHBondContact O-N 3.14Å; V318-E322 WeakPolarHBondContact CA-OE1 3.3Å
319T88.6Confident88.7Confident96 Ų9674.3 Ų74.359%0.58940%0.395SS*.  trans-106.3-10.7-178.1790000113.5N321 E322T319-N321 VanDerWaalsContact C-N 3.28Å; T319-N321 PolarHBondContact O-N 3.09Å; T319-N321 PolarHBondContact OG1-N 3.01Å; T319-E322 PolarHBondContact N-OE1 3.18Å
320G87.1Confident88.8Confident17 Ų1774.9 Ų74.918%0.17540%0.403CS..SBendtrans83.4-1.5-175.700000114.9K254 E322K254-G320 PolarHBondContact NZ-O 3.17Å; G320-E322 VanDerWaalsContact CA-OE2 3.28Å; G320-E322 WeakPolarHBondContact CA-OE2 3.22Å; G320-E322 PolarHBondContact N-OE2 3.34Å
321N88Confident89Confident135 Ų13580.1 Ų80.172%0.72243%0.428SS*.  trans-105.12.1-179.1-66.3-42.2000112.6T319 K323T319-N321 VanDerWaalsContact C-N 3.28Å; T319-N321 PolarHBondContact O-N 3.09Å; T319-N321 PolarHBondContact OG1-N 3.01Å; N321-K323 PolarHBondContact O-N 2.87Å
322E91.3Very high89.6Confident55 Ų5582.6 Ų82.626%0.25745%0.445SS..PPolyproline II helixtrans-59.9133.5176.2-6480.7178.300109.8V256 V318 T319 G320V256-E322 HydrophobicContact CG1-CB 4.11Å; V256-E322 HydrophobicContact CG1-CG 4.44Å; V318-E322 WeakPolarHBondContact CA-OE1 3.3Å; T319-E322 PolarHBondContact N-OE1 3.18Å; G320-E322 VanDerWaalsContact CA-OE2 3.28Å; G320-E322 WeakPolarHBondContact CA-OE2 3.22Å; G320-E322 PolarHBondContact N-OE2 3.34Å
323K90.6Very high90Very high185 Ų18583 Ų8380%0.80445%0.447SS*.PPolyproline II helixtrans-102.3130.4175.3-67.4-176.1179.5179.70108.3N321N321-K323 PolarHBondContact O-N 2.87Å
324P92.8Very high90.9Very high51 Ų5180.7 Ų80.733%0.33143%0.429SS..PPolyproline II helixtrans-52.3143.7173.2-2936.4000112E150 Y151 G326E150-P324 HydrophobicContact CB-CB 3.77Å; E150-P324 HydrophobicContact CB-CG 4.23Å; E150-P324 WeakPolarHBondContact OE2-CA 3.35Å; Y151-P324 HydrophobicContact CD2-CB 4.35Å; Y151-P324 HydrophobicContact CE1-CB 4.4Å; Y151-P324 HydrophobicContact CE1-CG 4.29Å; Y151-P324 HydrophobicContact CE2-CB 3.6Å; Y151-P324 HydrophobicContact CE2-CG 4.27Å; P324-G326 PolarHBondContact O-N 2.84Å
325H94.1Very high91.7Very high53 Ų5380.7 Ų80.725%0.24543%0.428CS..PPolyproline II helixtrans-60.4126.9170.3-179.569.3000110.5E150 N264 F266E150-H325 VanDerWaalsContact OE1-CB 3.25Å; E150-H325 WeakPolarHBondContact OE1-CB 3.29Å; E150-H325 PolarHBondContact OE1-N 3.37Å; N264-H325 HydrophobicContact CB-CB 4.49Å; N264-H325 PolarHBondContact O-NE2 2.91Å; F266-H325 AromaticContact CD2-CD2 3.98Å; F266-H325 AromaticContact CE2-CD2 3.3Å; F266-H325 WeakPolarHBondContact CE2-CD2 3.26Å; F266-H325 AromaticContact CE2-NE2 3.73Å; F266-H325 AromaticContact CZ-CD2 3.86Å; F266-H325 WeakPolarHBondContact CZ-O 3.48Å
326G89.9Confident92.2Very high43 Ų4380.9 Ų80.944%0.44343%0.427SS..  trans-159.596.1-175.800000111.7P324P324-G326 PolarHBondContact O-N 2.84Å
327P88.9Confident92.7Very high30 Ų3077.8 Ų77.820%0.19541%0.407CS..  trans-64.2147.4178.125.6-33.2000110.5F266 W329 I381F266-P327 HydrophobicContact CD2-CG 4.35Å; F266-P327 VanDerWaalsContact CE2-CD 3.41Å; F266-P327 HydrophobicContact CE2-CG 4.08Å; P327-W329 VanDerWaalsContact O-CD1 3.22Å; P327-I381 HydrophobicContact CG-CG2 3.87Å; P327-I381 WeakPolarHBondContact CG-O 3.32Å
328K90.1Very high93.1Very high198 Ų19869.8 Ų69.886%0.86138%0.377SS*.  trans-91.5121.9172.6-67.2-174.7179.7-1780109.2Q383K328-Q383 PolarHBondContact O-NE2 3.48Å
329W94.4Very high93.3Very high31 Ų3171.7 Ų71.712%0.11739%0.386CS..  trans-147.6150.4-173.757.8-47.3000110.1L67 P327 F333 Q334 V337 I381L67-W329 HydrophobicContact CD2-CH2 4.08Å; L67-W329 HydrophobicContact CD2-CZ2 4.06Å; L67-W329 HydrophobicContact CG-CZ2 4.47Å; P327-W329 VanDerWaalsContact O-CD1 3.22Å; W329-F333 HydrophobicContact CE3-CB 3.7Å; W329-F333 HydrophobicContact CZ3-CB 4.15Å; W329-F333 WeakPolarHBondContact CZ3-O 3.44Å; W329-Q334 HydrophobicContact CD2-CG 3.74Å; W329-Q334 HydrophobicContact CE3-CG 4.05Å; W329-Q334 HydrophobicContact CG-CG 4.33Å; W329-Q334 HydrophobicContact CH2-CB 4.37Å; W329-Q334 HydrophobicContact CH2-CG 3.95Å; W329-Q334 HydrophobicContact CZ2-CB 4.49Å; W329-Q334 HydrophobicContact CZ2-CG 3.68Å; W329-Q334 HydrophobicContact CZ3-CG 4.13Å; W329-Q334 PolarHBondContact O-NE2 3.02Å; W329-V337 HydrophobicContact CH2-CB 3.91Å; W329-V337 HydrophobicContact CH2-CG1 4.04Å; W329-V337 HydrophobicContact CH2-CG2 4.08Å; W329-V337 HydrophobicContact CZ3-CB 3.88Å; W329-V337 HydrophobicContact CZ3-CG1 4.42Å; W329-V337 HydrophobicContact CZ3-CG2 3.61Å; W329-I381 HydrophobicContact CH2-CB 4.49Å; W329-I381 HydrophobicContact CH2-CD1 4.41Å; W329-I381 HydrophobicContact CH2-CG1 3.51Å; W329-I381 HydrophobicContact CZ2-CG1 3.89Å; W329-I381 HydrophobicContact CZ2-CG2 4.45Å; W329-I381 HydrophobicContact CZ3-CG1 3.87Å
330S94.8Very high93.8Very high54 Ų5467.1 Ų67.138%0.37836%0.358SS..  trans-67.8152.8-169.472.30000112.5T332 F333 Q334S330-T332 PolarHBondContact O-N 3.36Å; S330-F333 PolarHBondContact O-N 3.47Å; S330-F333 VanDerWaalsContact O-N 3.08Å; S330-F333 VanDerWaalsContact OG-CD2 3.24Å; S330-F333 WeakPolarHBondContact OG-CD2 3.42Å; S330-F333 PolarHBondContact OG-N 2.82Å; S330-Q334 WeakPolarHBondContact O-CG 3.36Å; S330-Q334 PolarHBondContact O-N 3.04Å
331L95.3Very high94.3Very high118 Ų11866.7 Ų66.762%0.61835%0.351SS*.Hα-helixtrans-55.8-34.9174.4-179.561.3000111.9F333 Q334 I335L331-F333 PolarHBondContact O-N 3.5Å; L331-Q334 WeakPolarHBondContact O-CB 3.4Å; L331-Q334 PolarHBondContact O-N 2.86Å; L331-I335 HydrophobicContact CD1-CD1 4.29Å; L331-I335 HydrophobicContact CD1-CG1 4.31Å; L331-I335 HydrophobicContact CG-CD1 3.98Å; L331-I335 HydrophobicContact CG-CG1 4.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.1Å
332T95.6Very high94.7Very high107 Ų10765.3 Ų65.366%0.65634%0.344SS*.Hα-helixtrans-59.9-45.7176.1-53.40000112.1S330 I335 Y336S330-T332 PolarHBondContact O-N 3.36Å; T332-I335 PolarHBondContact O-N 3.07Å; T332-Y336 WeakPolarHBondContact O-CB 3.41Å; T332-Y336 PolarHBondContact O-N 2.82Å
333F95.8Very high94.9Very high51 Ų5163.9 Ų63.922%0.22434%0.338CS..Hα-helixtrans-70.6-33176.4-75.8-60.8000112.5W329 S330 L331 Y336 V337 I380 Y428 W429W329-F333 HydrophobicContact CE3-CB 3.7Å; W329-F333 HydrophobicContact CZ3-CB 4.15Å; W329-F333 WeakPolarHBondContact CZ3-O 3.44Å; S330-F333 PolarHBondContact O-N 3.47Å; S330-F333 VanDerWaalsContact O-N 3.08Å; S330-F333 VanDerWaalsContact OG-CD2 3.24Å; S330-F333 WeakPolarHBondContact OG-CD2 3.42Å; S330-F333 PolarHBondContact OG-N 2.82Å; L331-F333 PolarHBondContact O-N 3.5Å; F333-Y336 WeakPolarHBondContact O-CB 3.31Å; F333-Y336 PolarHBondContact O-N 3.34Å; F333-V337 WeakPolarHBondContact O-CB 3.49Å; F333-V337 WeakPolarHBondContact O-CG2 3.38Å; F333-V337 PolarHBondContact O-N 3.45Å; F333-I380 HydrophobicContact CD1-CG2 4.06Å; F333-Y428 HydrophobicContact CE1-CE1 4.31Å; F333-W429 HydrophobicContact CD1-CZ2 4.32Å; F333-W429 AromaticContact CE1-CH2 3.73Å; F333-W429 HydrophobicContact CE1-CH2 3.73Å; F333-W429 AromaticContact CE1-CZ2 3.71Å; F333-W429 HydrophobicContact CE1-CZ2 3.71Å; F333-W429 HydrophobicContact CZ-CH2 4.33Å
334Q96.4Very high95.2Very high64 Ų6455.1 Ų55.130%0.29930%0.299SS..Hα-helixtrans-61.5-46.7173.4-68.2178.64200111.6L67 W329 S330 L331 V337 G338L67-Q334 HydrophobicContact CD2-CB 3.78Å; L67-Q334 HydrophobicContact CD2-CG 4.15Å; W329-Q334 HydrophobicContact CD2-CG 3.74Å; W329-Q334 HydrophobicContact CE3-CG 4.05Å; W329-Q334 HydrophobicContact CG-CG 4.33Å; W329-Q334 HydrophobicContact CH2-CB 4.37Å; W329-Q334 HydrophobicContact CH2-CG 3.95Å; W329-Q334 HydrophobicContact CZ2-CB 4.49Å; W329-Q334 HydrophobicContact CZ2-CG 3.68Å; W329-Q334 HydrophobicContact CZ3-CG 4.13Å; W329-Q334 PolarHBondContact O-NE2 3.02Å; S330-Q334 WeakPolarHBondContact O-CG 3.36Å; S330-Q334 PolarHBondContact O-N 3.04Å; L331-Q334 WeakPolarHBondContact O-CB 3.4Å; L331-Q334 PolarHBondContact O-N 2.86Å; Q334-V337 PolarHBondContact O-N 3.34Å; Q334-G338 PolarHBondContact O-N 3.45Å
335I97.1Very high95.4Very high95 Ų9556 Ų5649%0.48730%0.301SS..Hα-helixtrans-62.4-46175.2-67.5167.6000110.3L331 T332 V337 G338 L339L331-I335 HydrophobicContact CD1-CD1 4.29Å; L331-I335 HydrophobicContact CD1-CG1 4.31Å; L331-I335 HydrophobicContact CG-CD1 3.98Å; L331-I335 HydrophobicContact CG-CG1 4.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.1Å; T332-I335 PolarHBondContact O-N 3.07Å; I335-V337 PolarHBondContact O-N 3.43Å; I335-G338 PolarHBondContact O-N 3.15Å; I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.28Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.31Å
336Y97.4Very high95.4Very high25 Ų2557 Ų5710%0.09830%0.302CS..Hα-helixtrans-55.4-51.8177.9178.9-91000112.2T332 F333 L339 H340 I380 E391 F421 S425 W429T332-Y336 WeakPolarHBondContact O-CB 3.41Å; T332-Y336 PolarHBondContact O-N 2.82Å; F333-Y336 WeakPolarHBondContact O-CB 3.31Å; F333-Y336 PolarHBondContact O-N 3.34Å; Y336-L339 PolarHBondContact O-N 2.9Å; Y336-H340 AromaticContact CD1-CD2 3.97Å; Y336-H340 AromaticContact CD2-CD2 3.92Å; Y336-H340 AromaticContact CE1-CD2 3.52Å; Y336-H340 AromaticContact CE2-CD2 3.5Å; Y336-H340 AromaticContact CE2-NE2 3.35Å; Y336-H340 WeakPolarHBondContact CE2-NE2 3.47Å; Y336-H340 AromaticContact CZ-CD2 3.26Å; Y336-H340 AromaticContact CZ-NE2 3.3Å; Y336-H340 VanDerWaalsContact CZ-NE2 3.3Å; Y336-H340 PolarHBondContact O-CD2 3.31Å; Y336-H340 PolarHBondContact O-N 3.49Å; Y336-H340 PolarHBondContact OH-NE2 3.23Å; Y336-I380 HydrophobicContact CD1-CD1 4.3Å; Y336-I380 HydrophobicContact CE1-CD1 3.81Å; Y336-E391 WeakPolarHBondContact CE1-OE1 3.32Å; Y336-E391 PolarHBondContact OH-OE1 3.46Å; Y336-F421 HydrophobicContact CD2-CE2 4.29Å; Y336-F421 HydrophobicContact CD2-CZ 4.1Å; Y336-F421 HydrophobicContact CE2-CZ 4.27Å; Y336-S425 WeakPolarHBondContact CE2-OG 3.49Å; Y336-W429 HydrophobicContact CE1-CZ2 4.38Å; Y336-W429 AromaticContact CE1-NE1 3.72Å; Y336-W429 AromaticContact CE2-NE1 3.87Å; Y336-W429 AromaticContact CZ-NE1 3.25Å; Y336-W429 PolarHBondContact OH-NE1 3.15Å
337V97.9Very high95.6Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-64.4-42179.5165.50000110.7L71 W329 F333 Q334 I335 L339 H340 F341 L377 I380 I381L71-V337 HydrophobicContact CD1-CG1 3.52Å; W329-V337 HydrophobicContact CH2-CB 3.91Å; W329-V337 HydrophobicContact CH2-CG1 4.04Å; W329-V337 HydrophobicContact CH2-CG2 4.08Å; W329-V337 HydrophobicContact CZ3-CB 3.88Å; W329-V337 HydrophobicContact CZ3-CG1 4.42Å; W329-V337 HydrophobicContact CZ3-CG2 3.61Å; F333-V337 WeakPolarHBondContact O-CB 3.49Å; F333-V337 WeakPolarHBondContact O-CG2 3.38Å; F333-V337 PolarHBondContact O-N 3.45Å; Q334-V337 PolarHBondContact O-N 3.34Å; I335-V337 PolarHBondContact O-N 3.43Å; V337-L339 PolarHBondContact O-N 2.97Å; V337-H340 PolarHBondContact O-N 3.08Å; V337-F341 WeakPolarHBondContact O-CB 3.12Å; V337-F341 PolarHBondContact O-N 2.84Å; V337-L377 HydrophobicContact CB-CD2 4.34Å; V337-L377 HydrophobicContact CG1-CB 4.26Å; V337-L377 HydrophobicContact CG1-CD1 4.48Å; V337-L377 HydrophobicContact CG1-CD2 4.21Å; V337-L377 HydrophobicContact CG2-CD2 4.06Å; V337-I380 HydrophobicContact CG2-CB 4.16Å; V337-I380 HydrophobicContact CG2-CG2 3.72Å; V337-I381 HydrophobicContact CG1-CD1 4.24Å; V337-I381 HydrophobicContact CG1-CG1 4.31Å
338G97.7Very high96Very high19 Ų1955.5 Ų55.520%0.19628%0.281CS..Hα-helixtrans-59.1-46.1175.900000112.9Q334 I335 F341 L342Q334-G338 PolarHBondContact O-N 3.45Å; I335-G338 PolarHBondContact O-N 3.15Å; G338-F341 PolarHBondContact O-N 3.43Å; G338-L342 WeakPolarHBondContact O-CG 3.21Å; G338-L342 PolarHBondContact O-N 3.29Å
339L96.7Very high96.2Very high78 Ų7850.3 Ų50.341%0.40826%0.259SS..Hα-helixtrans-65-47.4178.9-70.8174.1000112.3I335 Y336 V337 F341 L342 L343 F421I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.28Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.31Å; Y336-L339 PolarHBondContact O-N 2.9Å; V337-L339 PolarHBondContact O-N 2.97Å; L339-F341 VanDerWaalsContact C-N 3.29Å; L339-F341 PolarHBondContact O-N 3.24Å; L339-L342 PolarHBondContact O-N 3.01Å; L339-L343 WeakPolarHBondContact O-CG 3.5Å; L339-L343 PolarHBondContact O-N 3.36Å; L339-L343 VanDerWaalsContact O-N 3.1Å; L339-F421 HydrophobicContact CB-CE1 4.06Å; L339-F421 HydrophobicContact CB-CZ 3.94Å; L339-F421 HydrophobicContact CD1-CE2 4.19Å; L339-F421 HydrophobicContact CD1-CZ 4.05Å
340H97.7Very high96.1Very high1 Ų151.8 Ų51.81%0.00527%0.267CS..Hα-helixtrans-65.5-33.1176.2-82.1-72.8000112.3Y336 V337 L343 V344 L377 R394 F421 S425Y336-H340 AromaticContact CD1-CD2 3.97Å; Y336-H340 AromaticContact CD2-CD2 3.92Å; Y336-H340 AromaticContact CE1-CD2 3.52Å; Y336-H340 AromaticContact CE2-CD2 3.5Å; Y336-H340 AromaticContact CE2-NE2 3.35Å; Y336-H340 WeakPolarHBondContact CE2-NE2 3.47Å; Y336-H340 AromaticContact CZ-CD2 3.26Å; Y336-H340 AromaticContact CZ-NE2 3.3Å; Y336-H340 VanDerWaalsContact CZ-NE2 3.3Å; Y336-H340 PolarHBondContact O-CD2 3.31Å; Y336-H340 PolarHBondContact O-N 3.49Å; Y336-H340 PolarHBondContact OH-NE2 3.23Å; V337-H340 PolarHBondContact O-N 3.08Å; H340-L343 PolarHBondContact O-N 3.41Å; H340-V344 PolarHBondContact O-N 3.39Å; H340-L377 HydrophobicContact CB-CD2 3.94Å; H340-R394 PolarHBondContact CE1-NH2 3.24Å; H340-R394 PolarHBondContact ND1-NH1 3.29Å; H340-R394 PolarHBondContact ND1-NH2 3.13Å; H340-F421 AromaticContact CD2-CE1 3.56Å; H340-F421 AromaticContact CD2-CZ 3.54Å; H340-F421 AromaticContact CE1-CE1 3.5Å; H340-F421 AromaticContact NE2-CE1 3.16Å; H340-F421 WeakPolarHBondContact NE2-CE1 3.44Å; H340-F421 AromaticContact NE2-CZ 3.31Å; H340-F421 VanDerWaalsContact NE2-CZ 3.31Å; H340-F421 WeakPolarHBondContact NE2-CZ 3.34Å; H340-S425 PolarHBondContact NE2-OG 2.94Å
341F98Very high96.1Very high7 Ų749.2 Ų49.23%0.03125%0.249CC..Hα-helixtrans-63.1-45.1173.3-173.5-94.5000111.9L71 L74 S75 M78 V337 G338 L339 L343 V344 L345 L374 L377L71-F341 HydrophobicContact CD1-CB 4.48Å; L71-F341 HydrophobicContact CD2-CB 4.12Å; L71-F341 HydrophobicContact CD2-CD1 3.38Å; L71-F341 HydrophobicContact CD2-CD2 3.84Å; L71-F341 HydrophobicContact CD2-CE1 3.65Å; L71-F341 HydrophobicContact CD2-CE2 4.08Å; L71-F341 HydrophobicContact CD2-CG 3.48Å; L71-F341 VanDerWaalsContact CD2-CG 3.48Å; L71-F341 HydrophobicContact CD2-CZ 4Å; L74-F341 HydrophobicContact CB-CE1 4.28Å; L74-F341 HydrophobicContact CB-CZ 3.64Å; L74-F341 HydrophobicContact CD1-CE1 4.02Å; L74-F341 HydrophobicContact CD1-CZ 4.21Å; S75-F341 WeakPolarHBondContact OG-CE2 3.33Å; M78-F341 HydrophobicContact SD-CE2 4.16Å; M78-F341 HydrophobicContact SD-CZ 3.96Å; V337-F341 WeakPolarHBondContact O-CB 3.12Å; V337-F341 PolarHBondContact O-N 2.84Å; G338-F341 PolarHBondContact O-N 3.43Å; L339-F341 VanDerWaalsContact C-N 3.29Å; L339-F341 PolarHBondContact O-N 3.24Å; F341-L343 VanDerWaalsContact C-N 3.3Å; F341-L343 PolarHBondContact O-N 2.95Å; F341-V344 HydrophobicContact CD2-CG1 4.42Å; F341-V344 WeakPolarHBondContact O-CG1 3.26Å; F341-V344 PolarHBondContact O-N 3.41Å; F341-L345 HydrophobicContact CE1-CD2 4.38Å; F341-L345 VanDerWaalsContact O-CB 3.3Å; F341-L345 WeakPolarHBondContact O-CB 3.37Å; F341-L345 PolarHBondContact O-N 2.91Å; F341-L374 HydrophobicContact CD2-CD2 4.13Å; F341-L374 HydrophobicContact CE2-CD2 3.88Å; F341-L377 HydrophobicContact CB-CD1 4.01Å; F341-L377 HydrophobicContact CD2-CD1 4.16Å
342L96.3Very high96Very high107 Ų10745.5 Ų45.556%0.5623%0.228SC*.Hα-helixtrans-61.8-38.4176.1-69.6172.6000112.1G338 L339 L345 W346G338-L342 WeakPolarHBondContact O-CG 3.21Å; G338-L342 PolarHBondContact O-N 3.29Å; L339-L342 PolarHBondContact O-N 3.01Å; L342-L345 PolarHBondContact O-N 2.88Å; L342-W346 WeakPolarHBondContact O-CB 3.39Å; L342-W346 PolarHBondContact O-N 2.83Å
343L95.8Very high95.8Very high25 Ų2545.5 Ų45.513%0.13122%0.221CC..Hα-helixtrans-66.6-41.9176.7-68.4171.3000112.5L339 H340 F341 W346 T347 M398 T418 F421L339-L343 WeakPolarHBondContact O-CG 3.5Å; L339-L343 PolarHBondContact O-N 3.36Å; L339-L343 VanDerWaalsContact O-N 3.1Å; H340-L343 PolarHBondContact O-N 3.41Å; F341-L343 VanDerWaalsContact C-N 3.3Å; F341-L343 PolarHBondContact O-N 2.95Å; L343-W346 PolarHBondContact O-N 3.33Å; L343-T347 PolarHBondContact O-N 2.81Å; L343-T347 PolarHBondContact O-OG1 3.33Å; L343-M398 HydrophobicContact CB-CE 4.26Å; L343-M398 HydrophobicContact CD1-CE 3.9Å; L343-T418 HydrophobicContact CD1-CG2 4.12Å; L343-T418 HydrophobicContact CD2-CG2 3.84Å; L343-F421 HydrophobicContact CD1-CD1 4.18Å; L343-F421 HydrophobicContact CD1-CE1 4.18Å
344V97.4Very high95.6Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-72.2-32.4175.870.70000111.9H340 F341 T347 Y348 V370 T373 L374H340-V344 PolarHBondContact O-N 3.39Å; F341-V344 HydrophobicContact CD2-CG1 4.42Å; F341-V344 WeakPolarHBondContact O-CG1 3.26Å; F341-V344 PolarHBondContact O-N 3.41Å; V344-T347 WeakPolarHBondContact O-CB 3.32Å; V344-T347 PolarHBondContact O-N 3.4Å; V344-Y348 VanDerWaalsContact O-CB 3.26Å; V344-Y348 WeakPolarHBondContact O-CB 3.44Å; V344-Y348 PolarHBondContact O-N 2.92Å; V344-V370 HydrophobicContact CG2-CB 4.21Å; V344-V370 HydrophobicContact CG2-CG1 4.12Å; V344-V370 HydrophobicContact CG2-CG2 3.96Å; V344-T373 HydrophobicContact CB-CG2 3.79Å; V344-T373 HydrophobicContact CG1-CG2 3.93Å; V344-T373 HydrophobicContact CG2-CG2 3.99Å; V344-L374 HydrophobicContact CG1-CD2 3.94Å
345L95.9Very high95.4Very high70 Ų7045.5 Ų45.537%0.36623%0.225SC..Hα-helixtrans-63.2-43.3173.2-178.762.9000111.2M78 F341 L342 Y348 H349M78-L345 HydrophobicContact CE-CD1 4.26Å; M78-L345 HydrophobicContact CG-CD1 4.37Å; M78-L345 HydrophobicContact SD-CD1 3.94Å; F341-L345 HydrophobicContact CE1-CD2 4.38Å; F341-L345 VanDerWaalsContact O-CB 3.3Å; F341-L345 WeakPolarHBondContact O-CB 3.37Å; F341-L345 PolarHBondContact O-N 2.91Å; L342-L345 PolarHBondContact O-N 2.88Å; L345-Y348 WeakPolarHBondContact O-CB 3.23Å; L345-Y348 PolarHBondContact O-N 3.25Å; L345-H349 PolarHBondContact O-N 2.93Å
346W95Very high95Very high73 Ų7347 Ų4728%0.27724%0.238SC..Hα-helixtrans-60.7-48.4172.7174.8-104.2000111.9L342 L343 Y348 H349 E350 R408 P410L342-W346 WeakPolarHBondContact O-CB 3.39Å; L342-W346 PolarHBondContact O-N 2.83Å; L343-W346 PolarHBondContact O-N 3.33Å; W346-Y348 VanDerWaalsContact C-N 3.27Å; W346-Y348 PolarHBondContact O-N 3.41Å; W346-H349 WeakPolarHBondContact O-CB 3.31Å; W346-H349 PolarHBondContact O-N 3.38Å; W346-H349 VanDerWaalsContact O-N 3.11Å; W346-E350 HydrophobicContact CD2-CG 4.3Å; W346-E350 HydrophobicContact CZ2-CG 3.77Å; W346-E350 PolarHBondContact O-N 3.13Å; W346-R408 VanDerWaalsContact CD1-O 3.25Å; W346-R408 PolarHBondContact NE1-O 3.37Å; W346-R408 VanDerWaalsContact NE1-O 3.16Å; W346-P410 HydrophobicContact CD2-CB 3.6Å; W346-P410 HydrophobicContact CE3-CB 3.84Å; W346-P410 HydrophobicContact CG-CB 4.02Å; W346-P410 HydrophobicContact CH2-CB 4.31Å; W346-P410 HydrophobicContact CZ2-CB 4.1Å; W346-P410 HydrophobicContact CZ3-CB 4.18Å
347T94.6Very high94.8Very high7 Ų751.4 Ų51.44%0.04327%0.268CS..Hα-helixtrans-55.9-44.3176.5-590000111.9L343 V344 H349 E350 L351 M366 Y369 L407L343-T347 PolarHBondContact O-N 2.81Å; L343-T347 PolarHBondContact O-OG1 3.33Å; V344-T347 WeakPolarHBondContact O-CB 3.32Å; V344-T347 PolarHBondContact O-N 3.4Å; T347-H349 VanDerWaalsContact C-N 3.35Å; T347-E350 PolarHBondContact O-N 3.27Å; T347-L351 WeakPolarHBondContact O-CB 3.28Å; T347-L351 PolarHBondContact O-N 3.21Å; T347-M366 HydrophobicContact CG2-CE 4.03Å; T347-Y369 HydrophobicContact CG2-CD1 4.25Å; T347-Y369 HydrophobicContact CG2-CE1 4.15Å; T347-L407 HydrophobicContact CG2-CD2 3.2Å; T347-L407 WeakPolarHBondContact OG1-CD2 3.29Å
348Y95.9Very high94.5Very high35 Ų3553.7 Ų53.714%0.13728%0.28CS..Hα-helixtrans-61.6-43.5177.6166.9-86.3000111.1M78 R81 L82 V344 L345 W346 L351 F352M78-Y348 HydrophobicContact CB-CD2 4.13Å; M78-Y348 HydrophobicContact CB-CE2 3.93Å; M78-Y348 HydrophobicContact CE-CD1 4.32Å; M78-Y348 HydrophobicContact CE-CD2 3.99Å; M78-Y348 HydrophobicContact CE-CG 3.69Å; M78-Y348 HydrophobicContact CG-CD1 4.44Å; M78-Y348 HydrophobicContact CG-CD2 4.42Å; M78-Y348 HydrophobicContact CG-CE1 4.47Å; M78-Y348 HydrophobicContact CG-CE2 4.4Å; M78-Y348 HydrophobicContact CG-CG 4.44Å; M78-Y348 WeakPolarHBondContact O-CE2 3.47Å; R81-Y348 VanDerWaalsContact CB-OH 3.23Å; R81-Y348 WeakPolarHBondContact CB-OH 3.46Å; L82-Y348 HydrophobicContact CD2-CD2 4.12Å; L82-Y348 HydrophobicContact CD2-CE2 3.97Å; V344-Y348 VanDerWaalsContact O-CB 3.26Å; V344-Y348 WeakPolarHBondContact O-CB 3.44Å; V344-Y348 PolarHBondContact O-N 2.92Å; L345-Y348 WeakPolarHBondContact O-CB 3.23Å; L345-Y348 PolarHBondContact O-N 3.25Å; W346-Y348 VanDerWaalsContact C-N 3.27Å; W346-Y348 PolarHBondContact O-N 3.41Å; Y348-L351 PolarHBondContact O-N 3.16Å; Y348-F352 HydrophobicContact CD2-CD2 4.26Å; Y348-F352 AromaticContact CD2-CE2 3.98Å; Y348-F352 HydrophobicContact CD2-CE2 3.98Å; Y348-F352 HydrophobicContact CE1-CD2 4.13Å; Y348-F352 HydrophobicContact CE1-CE2 4.22Å; Y348-F352 AromaticContact CE2-CD2 3.89Å; Y348-F352 HydrophobicContact CE2-CD2 3.89Å; Y348-F352 AromaticContact CE2-CE2 3.3Å; Y348-F352 HydrophobicContact CE2-CE2 3.3Å; Y348-F352 HydrophobicContact CE2-CZ 4.18Å; Y348-F352 AromaticContact CZ-CD2 3.79Å; Y348-F352 AromaticContact CZ-CE2 3.42Å; Y348-F352 VanDerWaalsContact CZ-CE2 3.42Å; Y348-F352 WeakPolarHBondContact O-CD2 3.48Å; Y348-F352 PolarHBondContact O-N 3.18Å; Y348-F352 WeakPolarHBondContact OH-CE2 3.3Å
349H93.8Very high94.3Very high90 Ų9055.7 Ų55.742%0.41729%0.291SS..Hα-helixtrans-61-50.7176.4179.558.5000111.8L345 W346 T347 L351 F352 E353L345-H349 PolarHBondContact O-N 2.93Å; W346-H349 WeakPolarHBondContact O-CB 3.31Å; W346-H349 PolarHBondContact O-N 3.38Å; W346-H349 VanDerWaalsContact O-N 3.11Å; T347-H349 VanDerWaalsContact C-N 3.35Å; H349-L351 VanDerWaalsContact C-N 3.28Å; H349-L351 PolarHBondContact O-N 3.41Å; H349-F352 PolarHBondContact O-N 3.35Å; H349-F352 VanDerWaalsContact O-N 3.08Å; H349-E353 IonicContact CE1-OE1 3.17Å; H349-E353 PolarHBondContact O-N 3.45Å; H349-E353 VanDerWaalsContact O-N 3.07Å
350E93.1Very high94.1Very high61 Ų6158 Ų5829%0.28530%0.299SS..Hα-helixtrans-58.7-38.6178.3-73.6-74103.600112.7W346 T347 F352 E353 S354W346-E350 HydrophobicContact CD2-CG 4.3Å; W346-E350 HydrophobicContact CZ2-CG 3.77Å; W346-E350 PolarHBondContact O-N 3.13Å; T347-E350 PolarHBondContact O-N 3.27Å; E350-F352 VanDerWaalsContact C-N 3.33Å; E350-F352 PolarHBondContact O-N 3.13Å; E350-E353 PolarHBondContact O-N 2.96Å; E350-S354 VanDerWaalsContact O-CB 3.25Å; E350-S354 WeakPolarHBondContact O-CB 3.34Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.35Å
351L94.8Very high94Very high0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-60.6-41.6176.2175.858.8000111.7L85 T347 Y348 H349 K355 L358 I363 M366L85-L351 HydrophobicContact CD1-CD2 3.6Å; L85-L351 HydrophobicContact CD1-CG 3.97Å; L85-L351 HydrophobicContact CD2-CG 4.13Å; T347-L351 WeakPolarHBondContact O-CB 3.28Å; T347-L351 PolarHBondContact O-N 3.21Å; Y348-L351 PolarHBondContact O-N 3.16Å; H349-L351 VanDerWaalsContact C-N 3.28Å; H349-L351 PolarHBondContact O-N 3.41Å; L351-K355 WeakPolarHBondContact O-CB 3.24Å; L351-K355 PolarHBondContact O-N 3.44Å; L351-K355 VanDerWaalsContact O-N 3.1Å; L351-L358 HydrophobicContact CD1-CD1 3.82Å; L351-I363 HydrophobicContact CD1-CG1 4.34Å; L351-M366 HydrophobicContact CB-CE 4.27Å; L351-M366 HydrophobicContact CD1-CB 4.02Å; L351-M366 HydrophobicContact CD1-CE 4.38Å; L351-M366 HydrophobicContact CD1-SD 3.97Å; L351-M366 HydrophobicContact CD2-CB 3.97Å
352F93.3Very high93.7Very high40 Ų4065.2 Ų65.218%0.17534%0.338CS..Hα-helixtrans-70.9-40.3178.1-92.1-96.2000112.8R81 L84 L85 Y348 H349 E350 S354 K355R81-F352 HydrophobicContact CB-CZ 3.99Å; R81-F352 WeakPolarHBondContact O-CZ 3.24Å; L84-F352 HydrophobicContact CB-CE1 4.21Å; L85-F352 HydrophobicContact CD1-CE2 3.96Å; L85-F352 HydrophobicContact CD1-CZ 4.3Å; L85-F352 HydrophobicContact CD2-CD1 3.97Å; L85-F352 HydrophobicContact CD2-CD2 3.76Å; L85-F352 HydrophobicContact CD2-CE1 3.91Å; L85-F352 HydrophobicContact CD2-CE2 3.68Å; L85-F352 HydrophobicContact CD2-CG 3.91Å; L85-F352 HydrophobicContact CD2-CZ 3.77Å; L85-F352 HydrophobicContact CG-CD2 4.39Å; L85-F352 HydrophobicContact CG-CE1 4.23Å; L85-F352 HydrophobicContact CG-CE2 3.81Å; L85-F352 HydrophobicContact CG-CZ 3.72Å; Y348-F352 HydrophobicContact CD2-CD2 4.26Å; Y348-F352 AromaticContact CD2-CE2 3.98Å; Y348-F352 HydrophobicContact CD2-CE2 3.98Å; Y348-F352 HydrophobicContact CE1-CD2 4.13Å; Y348-F352 HydrophobicContact CE1-CE2 4.22Å; Y348-F352 AromaticContact CE2-CD2 3.89Å; Y348-F352 HydrophobicContact CE2-CD2 3.89Å; Y348-F352 AromaticContact CE2-CE2 3.3Å; Y348-F352 HydrophobicContact CE2-CE2 3.3Å; Y348-F352 HydrophobicContact CE2-CZ 4.18Å; Y348-F352 AromaticContact CZ-CD2 3.79Å; Y348-F352 AromaticContact CZ-CE2 3.42Å; Y348-F352 VanDerWaalsContact CZ-CE2 3.42Å; Y348-F352 WeakPolarHBondContact O-CD2 3.48Å; Y348-F352 PolarHBondContact O-N 3.18Å; Y348-F352 WeakPolarHBondContact OH-CE2 3.3Å; H349-F352 PolarHBondContact O-N 3.35Å; H349-F352 VanDerWaalsContact O-N 3.08Å; E350-F352 VanDerWaalsContact C-N 3.33Å; E350-F352 PolarHBondContact O-N 3.13Å; F352-S354 VanDerWaalsContact C-N 3.3Å; F352-S354 PolarHBondContact O-N 2.96Å; F352-K355 WeakPolarHBondContact O-CG 3.43Å
353E91.6Very high93.7Very high107 Ų10760.1 Ų60.150%0.531%0.312SS..Hα-helixtrans-66.3-34.6176.8-69.5-61.3126.500111.8H349 E350H349-E353 IonicContact CE1-OE1 3.17Å; H349-E353 PolarHBondContact O-N 3.45Å; H349-E353 VanDerWaalsContact O-N 3.07Å; E350-E353 PolarHBondContact O-N 2.96Å
354S91Very high93.7Very high38 Ų3865.6 Ų65.627%0.26634%0.335SS..THydrogen-bonded Turntrans-95.30.5-176-55.80000114.2E350 F352 T356 V357 L358E350-S354 VanDerWaalsContact O-CB 3.25Å; E350-S354 WeakPolarHBondContact O-CB 3.34Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.35Å; F352-S354 VanDerWaalsContact C-N 3.3Å; F352-S354 PolarHBondContact O-N 2.96Å; S354-T356 PolarHBondContact O-N 2.75Å; S354-V357 WeakPolarHBondContact O-CG2 3.38Å; S354-V357 PolarHBondContact O-N 3.25Å; S354-L358 WeakPolarHBondContact O-CG 3.25Å; S354-L358 PolarHBondContact O-N 2.99Å
355K91.9Very high93.6Very high78 Ų7867.1 Ų67.134%0.33935%0.351SS..THydrogen-bonded Turntrans-58.7-24.4-169.772.7-176-176.9173.60115.1L84 L85 L351 F352L84-K355 PolarHBondContact O-NZ 2.77Å; L85-K355 HydrophobicContact CD2-CB 4.1Å; L85-K355 HydrophobicContact CD2-CD 4.13Å; L351-K355 WeakPolarHBondContact O-CB 3.24Å; L351-K355 PolarHBondContact O-N 3.44Å; L351-K355 VanDerWaalsContact O-N 3.1Å; F352-K355 WeakPolarHBondContact O-CG 3.43Å
356T89.9Confident93.5Very high125 Ų12564.3 Ų64.377%0.76734%0.336SS*.THydrogen-bonded Turntrans-79.6-20.5-179.9540000113.4S354S354-T356 PolarHBondContact O-N 2.75Å
357V92.9Very high93.6Very high119 Ų11961.9 Ų61.972%0.72133%0.329SS*.THydrogen-bonded Turntrans-105-17.7-179.1-61.90000113S354S354-V357 WeakPolarHBondContact O-CG2 3.38Å; S354-V357 PolarHBondContact O-N 3.25Å
358L91.9Very high93.7Very high47 Ų4763.8 Ų63.825%0.24634%0.343CS..SBendtrans-80.2146.8-179.9-65.4175.1000112L351 S354 T362 I363 M366L351-L358 HydrophobicContact CD1-CD1 3.82Å; S354-L358 WeakPolarHBondContact O-CG 3.25Å; S354-L358 PolarHBondContact O-N 2.99Å; L358-T362 HydrophobicContact CD2-CG2 4.03Å; L358-I363 HydrophobicContact CB-CD1 4.36Å; L358-I363 HydrophobicContact CB-CG1 3.93Å; L358-M366 HydrophobicContact CD1-SD 4.19Å
359S93.6Very high93.8Very high62 Ų6262.3 Ų62.343%0.43434%0.337SS..  trans-68.7154171.282.90000111.2L361 T362 I363S359-L361 VanDerWaalsContact C-N 3.25Å; S359-L361 PolarHBondContact O-N 3.31Å; S359-T362 WeakPolarHBondContact O-CB 3.47Å; S359-T362 PolarHBondContact O-N 3.24Å; S359-T362 PolarHBondContact OG-N 2.96Å; S359-T362 VanDerWaalsContact OG-N 3.11Å; S359-T362 PolarHBondContact OG-OG1 3.17Å; S359-I363 WeakPolarHBondContact O-CG1 3.34Å; S359-I363 PolarHBondContact O-N 2.9Å
360Q92.9Very high94Very high126 Ų12658 Ų5859%0.58932%0.317SS*.Hα-helixtrans-58.5-37.4176.4-66.1-60.3-36.200112.5T362 I363 F364Q360-T362 VanDerWaalsContact C-N 3.34Å; Q360-T362 PolarHBondContact O-N 2.65Å; Q360-I363 PolarHBondContact O-N 2.95Å; Q360-F364 WeakPolarHBondContact O-CB 3.42Å; Q360-F364 PolarHBondContact O-N 3.04Å
361L93.8Very high94.2Very high138 Ų13857.3 Ų57.372%0.72332%0.315SS*.Hα-helixtrans-63.6-41.3175.6-179.461.7000111.5S359 F364 G365S359-L361 VanDerWaalsContact C-N 3.25Å; S359-L361 PolarHBondContact O-N 3.31Å; L361-F364 PolarHBondContact O-N 3.17Å; L361-G365 PolarHBondContact O-N 3.49Å
362T93.8Very high94.4Very high21 Ų2159.2 Ų59.213%0.12933%0.325CS..Hα-helixtrans-65-45.2176.7-53.50000111.2L358 S359 Q360 F364 G365 M366 Y406L358-T362 HydrophobicContact CD2-CG2 4.03Å; S359-T362 WeakPolarHBondContact O-CB 3.47Å; S359-T362 PolarHBondContact O-N 3.24Å; S359-T362 PolarHBondContact OG-N 2.96Å; S359-T362 VanDerWaalsContact OG-N 3.11Å; S359-T362 PolarHBondContact OG-OG1 3.17Å; Q360-T362 VanDerWaalsContact C-N 3.34Å; Q360-T362 PolarHBondContact O-N 2.65Å; T362-F364 VanDerWaalsContact C-N 3.32Å; T362-F364 PolarHBondContact O-N 3.01Å; T362-G365 PolarHBondContact O-N 3.45Å; T362-M366 HydrophobicContact CG2-CG 4.3Å; T362-M366 HydrophobicContact CG2-SD 3.95Å; T362-M366 WeakPolarHBondContact O-CB 3.35Å; T362-M366 WeakPolarHBondContact O-CG 3.42Å; T362-M366 PolarHBondContact O-N 3.35Å; T362-Y406 HydrophobicContact CG2-CD1 3.69Å; T362-Y406 HydrophobicContact CG2-CE1 3.6Å
363I95.1Very high94.6Very high1 Ų157.3 Ų57.31%0.00532%0.316CS..Hα-helixtrans-58.1-46.6176.2-68170.9000110.3L85 V86 L351 L358 S359 Q360 M366 T367L85-I363 HydrophobicContact CB-CG2 3.82Å; L85-I363 HydrophobicContact CD1-CG2 4.38Å; V86-I363 HydrophobicContact CG1-CG2 4.39Å; L351-I363 HydrophobicContact CD1-CG1 4.34Å; L358-I363 HydrophobicContact CB-CD1 4.36Å; L358-I363 HydrophobicContact CB-CG1 3.93Å; S359-I363 WeakPolarHBondContact O-CG1 3.34Å; S359-I363 PolarHBondContact O-N 2.9Å; Q360-I363 PolarHBondContact O-N 2.95Å; I363-M366 PolarHBondContact O-N 3.33Å; I363-T367 VanDerWaalsContact O-CB 3.22Å; I363-T367 WeakPolarHBondContact O-CB 3.48Å; I363-T367 PolarHBondContact O-N 3.48Å; I363-T367 PolarHBondContact O-OG1 3.42Å
364F95.1Very high95Very high139 Ų13952.3 Ų52.361%0.6129%0.293SS*.Hα-helixtrans-62.2-45.1177.8-179.3-99.1000112.5Q360 L361 T362 T367 S368Q360-F364 WeakPolarHBondContact O-CB 3.42Å; Q360-F364 PolarHBondContact O-N 3.04Å; L361-F364 PolarHBondContact O-N 3.17Å; T362-F364 VanDerWaalsContact C-N 3.32Å; T362-F364 PolarHBondContact O-N 3.01Å; F364-T367 PolarHBondContact O-N 2.94Å; F364-S368 WeakPolarHBondContact O-CB 3.48Å; F364-S368 PolarHBondContact O-N 2.88Å; F364-S368 PolarHBondContact O-OG 3.44Å
365G95.1Very high95.3Very high33 Ų3351.2 Ų51.234%0.3429%0.285SS..Hα-helixtrans-62.2-46.2177.600000112.8L361 T362 S368 Y369L361-G365 PolarHBondContact O-N 3.49Å; T362-G365 PolarHBondContact O-N 3.45Å; G365-S368 PolarHBondContact O-N 3.22Å; G365-Y369 PolarHBondContact O-N 3.5Å
366M95.8Very high95.6Very high11 Ų1147.5 Ų47.55%0.05427%0.269CS..Hα-helixtrans-67.5-38.8177.6-67.9-176.573.300112.1T347 L351 L358 T362 I363 S368 Y369 V370 Y406T347-M366 HydrophobicContact CG2-CE 4.03Å; L351-M366 HydrophobicContact CB-CE 4.27Å; L351-M366 HydrophobicContact CD1-CB 4.02Å; L351-M366 HydrophobicContact CD1-CE 4.38Å; L351-M366 HydrophobicContact CD1-SD 3.97Å; L351-M366 HydrophobicContact CD2-CB 3.97Å; L358-M366 HydrophobicContact CD1-SD 4.19Å; T362-M366 HydrophobicContact CG2-CG 4.3Å; T362-M366 HydrophobicContact CG2-SD 3.95Å; T362-M366 WeakPolarHBondContact O-CB 3.35Å; T362-M366 WeakPolarHBondContact O-CG 3.42Å; T362-M366 PolarHBondContact O-N 3.35Å; I363-M366 PolarHBondContact O-N 3.33Å; M366-S368 VanDerWaalsContact C-N 3.34Å; M366-S368 PolarHBondContact O-N 3Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 PolarHBondContact O-N 3.39Å; M366-V370 WeakPolarHBondContact O-CG2 3.42Å; M366-V370 PolarHBondContact O-N 3.16Å; M366-Y406 WeakPolarHBondContact CE-O 3.39Å
367T96.1Very high96Very high22 Ų2241.8 Ų41.814%0.13523%0.234CC..Hα-helixtrans-61.2-44.3173.8-60.70000111L82 I363 F364 Y369 V370 L371L82-T367 HydrophobicContact CB-CG2 4.37Å; L82-T367 HydrophobicContact CD1-CG2 3.98Å; L82-T367 HydrophobicContact CD2-CG2 4.17Å; L82-T367 HydrophobicContact CG-CG2 4.4Å; I363-T367 VanDerWaalsContact O-CB 3.22Å; I363-T367 WeakPolarHBondContact O-CB 3.48Å; I363-T367 PolarHBondContact O-N 3.48Å; I363-T367 PolarHBondContact O-OG1 3.42Å; F364-T367 PolarHBondContact O-N 2.94Å; T367-Y369 VanDerWaalsContact C-N 3.31Å; T367-Y369 PolarHBondContact O-N 3.24Å; T367-V370 PolarHBondContact O-N 3.13Å; T367-L371 HydrophobicContact CG2-CD1 4.44Å; T367-L371 WeakPolarHBondContact O-CG 3.48Å; T367-L371 PolarHBondContact O-N 3.01Å
368S96.8Very high96.2Very high46 Ų4636.2 Ų36.232%0.32220%0.2SC..Hα-helixtrans-62.1-39.4176.1-59.40000111.7F364 G365 M366 L371 L372F364-S368 WeakPolarHBondContact O-CB 3.48Å; F364-S368 PolarHBondContact O-N 2.88Å; F364-S368 PolarHBondContact O-OG 3.44Å; G365-S368 PolarHBondContact O-N 3.22Å; M366-S368 VanDerWaalsContact C-N 3.34Å; M366-S368 PolarHBondContact O-N 3Å; S368-L371 PolarHBondContact O-N 3.16Å; S368-L372 VanDerWaalsContact O-CB 3.27Å; S368-L372 WeakPolarHBondContact O-CB 3.5Å; S368-L372 PolarHBondContact O-N 2.94Å
369Y97.6Very high96.5Very high4 Ų435.5 Ų35.52%0.01620%0.195CC..Hα-helixtrans-63.9-42.1174.1167.6-104.5000112.9T347 G365 M366 T367 L372 T373 R394 V397 M398 L401 L407T347-Y369 HydrophobicContact CG2-CD1 4.25Å; T347-Y369 HydrophobicContact CG2-CE1 4.15Å; G365-Y369 PolarHBondContact O-N 3.5Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 PolarHBondContact O-N 3.39Å; T367-Y369 VanDerWaalsContact C-N 3.31Å; T367-Y369 PolarHBondContact O-N 3.24Å; Y369-L372 PolarHBondContact O-N 3.29Å; Y369-T373 WeakPolarHBondContact CE2-OG1 3.36Å; Y369-T373 WeakPolarHBondContact O-CB 3.4Å; Y369-T373 PolarHBondContact O-N 2.91Å; Y369-T373 PolarHBondContact O-OG1 2.89Å; Y369-R394 HydrophobicContact CE2-CG 4.47Å; Y369-V397 HydrophobicContact CD2-CG1 3.81Å; Y369-M398 HydrophobicContact CE2-CB 3.89Å; Y369-M398 HydrophobicContact CE2-CG 4.2Å; Y369-M398 WeakPolarHBondContact OH-CG 3.17Å; Y369-M398 PolarHBondContact OH-SD 3.24Å; Y369-M398 VanDerWaalsContact OH-SD 3.37Å; Y369-L401 HydrophobicContact CD1-CD1 4.03Å; Y369-L401 HydrophobicContact CD2-CD1 3.8Å; Y369-L401 HydrophobicContact CE2-CD1 4.45Å; Y369-L401 HydrophobicContact CG-CD1 3.55Å; Y369-L407 HydrophobicContact CD1-CD1 4.39Å; Y369-L407 HydrophobicContact CD1-CD2 4.24Å; Y369-L407 HydrophobicContact CE1-CD1 3.74Å; Y369-L407 HydrophobicContact CE1-CD2 3.86Å; Y369-L407 HydrophobicContact CE1-CG 4.44Å; Y369-L407 HydrophobicContact CE2-CD1 4.32Å
370V98.1Very high96.7Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-59.5-50.8174.7170.70000109.8M78 V344 M366 T367 L372 T373 L374M78-V370 HydrophobicContact CE-CG1 4.28Å; V344-V370 HydrophobicContact CG2-CB 4.21Å; V344-V370 HydrophobicContact CG2-CG1 4.12Å; V344-V370 HydrophobicContact CG2-CG2 3.96Å; M366-V370 WeakPolarHBondContact O-CG2 3.42Å; M366-V370 PolarHBondContact O-N 3.16Å; T367-V370 PolarHBondContact O-N 3.13Å; V370-L372 PolarHBondContact O-N 3.15Å; V370-T373 PolarHBondContact O-N 3.07Å; V370-T373 VanDerWaalsContact O-N 3.15Å; V370-L374 HydrophobicContact CG1-CD1 3.92Å; V370-L374 HydrophobicContact CG1-CG 4.32Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 3.42Å
371L98.1Very high96.8Very high47 Ų4727 Ų2725%0.24615%0.149CC..Hα-helixtrans-60.3-45.1178.8-68.2175.2000112.5I79 L82 L269 T367 S368 T373 L374 T375I79-L371 HydrophobicContact CD1-CD2 3.65Å; I79-L371 HydrophobicContact CG1-CD2 3.7Å; I79-L371 HydrophobicContact CG2-CD2 4.47Å; L82-L371 HydrophobicContact CD1-CD2 3.71Å; L82-L371 HydrophobicContact CD1-CG 4.07Å; L269-L371 HydrophobicContact CD2-CD2 4.27Å; T367-L371 HydrophobicContact CG2-CD1 4.44Å; T367-L371 WeakPolarHBondContact O-CG 3.48Å; T367-L371 PolarHBondContact O-N 3.01Å; S368-L371 PolarHBondContact O-N 3.16Å; L371-T373 VanDerWaalsContact C-N 3.28Å; L371-T373 PolarHBondContact O-N 2.7Å; L371-L374 PolarHBondContact O-N 2.95Å; L371-T375 VanDerWaalsContact O-CB 3.3Å; L371-T375 WeakPolarHBondContact O-CB 3.28Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 2.92Å
372L98.3Very high96.8Very high39 Ų3922.1 Ų22.120%0.20412%0.122CC..Hα-helixtrans-57.9-42.9175.3176.362.3000111.1S368 Y369 V370 S376 L390 R394 V397S368-L372 VanDerWaalsContact O-CB 3.27Å; S368-L372 WeakPolarHBondContact O-CB 3.5Å; S368-L372 PolarHBondContact O-N 2.94Å; Y369-L372 PolarHBondContact O-N 3.29Å; V370-L372 PolarHBondContact O-N 3.15Å; L372-S376 WeakPolarHBondContact O-CB 3.32Å; L372-S376 PolarHBondContact O-N 2.9Å; L372-L390 HydrophobicContact CD1-CD1 3.64Å; L372-L390 HydrophobicContact CD1-CG 4.48Å; L372-R394 HydrophobicContact CD2-CB 4.15Å; L372-R394 HydrophobicContact CD2-CG 4.28Å; L372-R394 HydrophobicContact CG-CB 4.11Å; L372-R394 HydrophobicContact CG-CG 4.1Å; L372-V397 HydrophobicContact CD2-CB 4.49Å; L372-V397 HydrophobicContact CD2-CG2 4.24Å
373T98.4Very high96.8Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-66.8-52-179.4-59.70000111.9V344 Y369 V370 L371 T375 S376 L377 R394V344-T373 HydrophobicContact CB-CG2 3.79Å; V344-T373 HydrophobicContact CG1-CG2 3.93Å; V344-T373 HydrophobicContact CG2-CG2 3.99Å; Y369-T373 WeakPolarHBondContact CE2-OG1 3.36Å; Y369-T373 WeakPolarHBondContact O-CB 3.4Å; Y369-T373 PolarHBondContact O-N 2.91Å; Y369-T373 PolarHBondContact O-OG1 2.89Å; V370-T373 PolarHBondContact O-N 3.07Å; V370-T373 VanDerWaalsContact O-N 3.15Å; L371-T373 VanDerWaalsContact C-N 3.28Å; L371-T373 PolarHBondContact O-N 2.7Å; T373-T375 PolarHBondContact O-N 3.49Å; T373-S376 PolarHBondContact O-N 3.44Å; T373-S376 VanDerWaalsContact O-N 3.13Å; T373-L377 HydrophobicContact CG2-CD1 4.19Å; T373-L377 HydrophobicContact CG2-CG 4.33Å; T373-L377 VanDerWaalsContact O-CG 3.32Å; T373-L377 WeakPolarHBondContact O-CG 3.2Å; T373-L377 PolarHBondContact O-N 3.35Å; T373-R394 VanDerWaalsContact CA-CD 3.49Å; T373-R394 WeakPolarHBondContact OG1-CD 3.47Å
374L98.4Very high96.7Very high3 Ų329.7 Ų29.72%0.01615%0.153CC..Hα-helixtrans-59.7-38.1179.2-60178000111.6M78 I79 I268 F341 V344 V370 L371 G378M78-L374 HydrophobicContact CB-CD1 4.48Å; M78-L374 HydrophobicContact CE-CD2 4.44Å; M78-L374 HydrophobicContact SD-CD2 4.34Å; I79-L374 HydrophobicContact CD1-CD1 4.11Å; I79-L374 HydrophobicContact CG1-CD1 3.87Å; I268-L374 HydrophobicContact CG2-CB 3.82Å; F341-L374 HydrophobicContact CD2-CD2 4.13Å; F341-L374 HydrophobicContact CE2-CD2 3.88Å; V344-L374 HydrophobicContact CG1-CD2 3.94Å; V370-L374 HydrophobicContact CG1-CD1 3.92Å; V370-L374 HydrophobicContact CG1-CG 4.32Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 3.42Å; L371-L374 PolarHBondContact O-N 2.95Å; L374-G378 PolarHBondContact O-N 3.42Å
375T98.1Very high96.5Very high14 Ų1428.6 Ų28.69%0.08616%0.16CC..Hα-helixtrans-61.8-51.7173.4-56.70000111.3E267 L269 L371 T373 L377 G378 F379 L390E267-T375 HydrophobicContact CG-CG2 4.25Å; E267-T375 WeakPolarHBondContact OE1-CG2 3.38Å; L269-T375 HydrophobicContact CD1-CG2 4.38Å; L269-T375 WeakPolarHBondContact CD1-OG1 3.37Å; L269-T375 WeakPolarHBondContact CG-OG1 3.49Å; L371-T375 VanDerWaalsContact O-CB 3.3Å; L371-T375 WeakPolarHBondContact O-CB 3.28Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 2.92Å; T373-T375 PolarHBondContact O-N 3.49Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 2.89Å; T375-G378 PolarHBondContact O-N 3.28Å; T375-G378 VanDerWaalsContact O-N 3.11Å; T375-F379 HydrophobicContact CG2-CD1 4.02Å; T375-F379 HydrophobicContact CG2-CE1 3.71Å; T375-F379 VanDerWaalsContact O-CD1 3.29Å; T375-F379 WeakPolarHBondContact O-CD1 2.97Å; T375-F379 PolarHBondContact O-N 2.83Å; T375-L390 HydrophobicContact CG2-CD2 4.12Å
376S98.3Very high96.4Very high0 Ų029.6 Ų29.60%016%0.162CC..Hα-helixtrans-62.3-39.2-177.4-160.10000112.8L372 T373 G378 F379 I380 E391L372-S376 WeakPolarHBondContact O-CB 3.32Å; L372-S376 PolarHBondContact O-N 2.9Å; T373-S376 PolarHBondContact O-N 3.44Å; T373-S376 VanDerWaalsContact O-N 3.13Å; S376-G378 VanDerWaalsContact C-N 3.33Å; S376-G378 PolarHBondContact O-N 3.17Å; S376-F379 WeakPolarHBondContact O-CB 3.33Å; S376-F379 PolarHBondContact O-N 3.43Å; S376-I380 WeakPolarHBondContact O-CG1 3.28Å; S376-I380 PolarHBondContact O-N 3.39Å; S376-E391 WeakPolarHBondContact CB-OE2 3.45Å; S376-E391 WeakPolarHBondContact OG-CA 3.43Å; S376-E391 PolarHBondContact OG-OE2 3.41Å
377L98.1Very high96.4Very high6 Ų629.4 Ų29.43%0.03116%0.161CC..Hα-helixtrans-61.3-41.2174.1-63.8-178.5000111.7V337 H340 F341 T373 T375 F379 I380 I381V337-L377 HydrophobicContact CB-CD2 4.34Å; V337-L377 HydrophobicContact CG1-CB 4.26Å; V337-L377 HydrophobicContact CG1-CD1 4.48Å; V337-L377 HydrophobicContact CG1-CD2 4.21Å; V337-L377 HydrophobicContact CG2-CD2 4.06Å; H340-L377 HydrophobicContact CB-CD2 3.94Å; F341-L377 HydrophobicContact CB-CD1 4.01Å; F341-L377 HydrophobicContact CD2-CD1 4.16Å; T373-L377 HydrophobicContact CG2-CD1 4.19Å; T373-L377 HydrophobicContact CG2-CG 4.33Å; T373-L377 VanDerWaalsContact O-CG 3.32Å; T373-L377 WeakPolarHBondContact O-CG 3.2Å; T373-L377 PolarHBondContact O-N 3.35Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 2.89Å; L377-F379 VanDerWaalsContact C-N 3.35Å; L377-F379 PolarHBondContact O-N 2.93Å; L377-I380 PolarHBondContact O-N 3.06Å; L377-I381 VanDerWaalsContact O-CG1 3.29Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.94Å
378G97.3Very high96.3Very high2 Ų228.4 Ų28.42%0.02116%0.155CC..Hα-helixtrans-59.3-42.9172.900000112.9L374 T375 S376 I380 I381 E382L374-G378 PolarHBondContact O-N 3.42Å; T375-G378 PolarHBondContact O-N 3.28Å; T375-G378 VanDerWaalsContact O-N 3.11Å; S376-G378 VanDerWaalsContact C-N 3.33Å; S376-G378 PolarHBondContact O-N 3.17Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 3.3Å; G378-I381 PolarHBondContact O-N 3.33Å; G378-E382 PolarHBondContact O-N 3.44Å; G378-E382 VanDerWaalsContact O-N 3.07Å
379F97.4Very high96.3Very high31 Ų3132.4 Ų32.414%0.13617%0.167CC..Hα-helixtrans-61.1-39.9175.2-87.763.6000112.2E267 T375 S376 L377 Q383 R384 S386 S387 L390E267-F379 HydrophobicContact CB-CD1 4.49Å; E267-F379 HydrophobicContact CB-CE1 4.44Å; E267-F379 HydrophobicContact CG-CD1 3.6Å; E267-F379 HydrophobicContact CG-CE1 3.26Å; E267-F379 HydrophobicContact CG-CZ 4.34Å; T375-F379 HydrophobicContact CG2-CD1 4.02Å; T375-F379 HydrophobicContact CG2-CE1 3.71Å; T375-F379 VanDerWaalsContact O-CD1 3.29Å; T375-F379 WeakPolarHBondContact O-CD1 2.97Å; T375-F379 PolarHBondContact O-N 2.83Å; S376-F379 WeakPolarHBondContact O-CB 3.33Å; S376-F379 PolarHBondContact O-N 3.43Å; L377-F379 VanDerWaalsContact C-N 3.35Å; L377-F379 PolarHBondContact O-N 2.93Å; F379-Q383 PolarHBondContact O-N 3.01Å; F379-R384 HydrophobicContact CD2-CB 3.85Å; F379-R384 VanDerWaalsContact CD2-CD 3.49Å; F379-R384 HydrophobicContact CD2-CG 4.21Å; F379-R384 HydrophobicContact CE2-CB 4.49Å; F379-R384 HydrophobicContact CG-CB 4.43Å; F379-R384 HydrophobicContact CG-CG 4.47Å; F379-R384 PolarHBondContact O-N 2.99Å; F379-R384 VanDerWaalsContact O-N 3.09Å; F379-S386 VanDerWaalsContact CE2-OG 3.25Å; F379-S386 WeakPolarHBondContact CE2-OG 3.38Å; F379-S387 WeakPolarHBondContact CB-OG 3.49Å; F379-S387 PolarHBondContact O-OG 3.07Å; F379-L390 HydrophobicContact CB-CD2 4.35Å; F379-L390 HydrophobicContact CD1-CD2 3.9Å; F379-L390 HydrophobicContact CD2-CD2 4.03Å; F379-L390 HydrophobicContact CE1-CD2 4.08Å; F379-L390 HydrophobicContact CE2-CD2 4.27Å; F379-L390 HydrophobicContact CG-CD2 3.85Å; F379-L390 HydrophobicContact CZ-CD2 4.29Å
380I97.2Very high96.3Very high5 Ų533.7 Ų33.73%0.02617%0.174CC..Hα-helixtrans-67.1-46177.1-66.7164.5000111F333 Y336 V337 S376 L377 G378 E382 Q383 E391 W429F333-I380 HydrophobicContact CD1-CG2 4.06Å; Y336-I380 HydrophobicContact CD1-CD1 4.3Å; Y336-I380 HydrophobicContact CE1-CD1 3.81Å; V337-I380 HydrophobicContact CG2-CB 4.16Å; V337-I380 HydrophobicContact CG2-CG2 3.72Å; S376-I380 WeakPolarHBondContact O-CG1 3.28Å; S376-I380 PolarHBondContact O-N 3.39Å; L377-I380 PolarHBondContact O-N 3.06Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 3.3Å; I380-E382 PolarHBondContact O-N 3.12Å; I380-Q383 PolarHBondContact O-N 3.16Å; I380-E391 HydrophobicContact CD1-CB 4.33Å; I380-E391 HydrophobicContact CD1-CG 3.86Å; I380-W429 HydrophobicContact CD1-CH2 4.38Å; I380-W429 HydrophobicContact CD1-CZ2 3.81Å; I380-W429 HydrophobicContact CG1-CH2 4.05Å; I380-W429 HydrophobicContact CG1-CZ2 3.98Å
381I96.5Very high96.3Very high4 Ų433.7 Ų33.72%0.02117%0.174CC..Hα-helixtrans-53.9-44.5176.9-71.2163.4000110.5F266 P327 W329 V337 L377 G378 Q383F266-I381 HydrophobicContact CB-CG2 4.12Å; F266-I381 HydrophobicContact CD2-CG2 3.58Å; F266-I381 HydrophobicContact CE2-CG2 4.27Å; F266-I381 HydrophobicContact CG-CG2 3.98Å; P327-I381 HydrophobicContact CG-CG2 3.87Å; P327-I381 WeakPolarHBondContact CG-O 3.32Å; W329-I381 HydrophobicContact CH2-CB 4.49Å; W329-I381 HydrophobicContact CH2-CD1 4.41Å; W329-I381 HydrophobicContact CH2-CG1 3.51Å; W329-I381 HydrophobicContact CZ2-CG1 3.89Å; W329-I381 HydrophobicContact CZ2-CG2 4.45Å; W329-I381 HydrophobicContact CZ3-CG1 3.87Å; V337-I381 HydrophobicContact CG1-CD1 4.24Å; V337-I381 HydrophobicContact CG1-CG1 4.31Å; L377-I381 VanDerWaalsContact O-CG1 3.29Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.94Å; G378-I381 PolarHBondContact O-N 3.33Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 PolarHBondContact O-N 3.27Å
382E93.9Very high96.3Very high37 Ų3732.6 Ų32.617%0.17317%0.169CC..THydrogen-bonded Turntrans-82.4-5.1-179.7-68.9-175.2105.500114.5T265 F266 G378 I380 R384T265-E382 WeakPolarHBondContact CA-OE1 3.44Å; T265-E382 WeakPolarHBondContact CB-OE1 3.48Å; T265-E382 PolarHBondContact OG1-OE1 3.17Å; T265-E382 VanDerWaalsContact OG1-OE1 3.13Å; T265-E382 PolarHBondContact OG1-OE2 3.16Å; F266-E382 HydrophobicContact CB-CG 4.49Å; F266-E382 HydrophobicContact CD2-CG 4.23Å; G378-E382 PolarHBondContact O-N 3.44Å; G378-E382 VanDerWaalsContact O-N 3.07Å; I380-E382 PolarHBondContact O-N 3.12Å; E382-R384 VanDerWaalsContact C-N 3.25Å; E382-R384 HydrophobicContact CB-CG 3.95Å; E382-R384 PolarHBondContact O-N 3.43Å; E382-R384 IonicContact OE1-NE 3.2Å; E382-R384 IonicContact OE1-NH2 3.46Å; E382-R384 PolarHBondContact OE1-NH2 3.31Å; E382-R384 IonicContact OE2-CZ 3.1Å; E382-R384 IonicContact OE2-NE 3.97Å; E382-R384 PolarHBondContact OE2-NE 3.22Å; E382-R384 IonicContact OE2-NH2 2.75Å; E382-R384 PolarHBondContact OE2-NH2 3.4Å
383Q93.4Very high96.2Very high111 Ų11134.1 Ų34.152%0.51918%0.177SC..THydrogen-bonded Turntrans53.541.3-177.1-63167.385.300112.9K328 F379 I380 I381K328-Q383 PolarHBondContact O-NE2 3.48Å; F379-Q383 PolarHBondContact O-N 3.01Å; I380-Q383 PolarHBondContact O-N 3.16Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 PolarHBondContact O-N 3.27Å
384R93.4Very high96.2Very high69 Ų6934.1 Ų34.126%0.2618%0.177SC..  trans-62.3148.1178.8-64.9-173.3-178.9-162.9-1.9111.1T265 F379 E382 S386 S387T265-R384 PolarHBondContact OG1-NH2 3.46Å; F379-R384 HydrophobicContact CD2-CB 3.85Å; F379-R384 VanDerWaalsContact CD2-CD 3.49Å; F379-R384 HydrophobicContact CD2-CG 4.21Å; F379-R384 HydrophobicContact CE2-CB 4.49Å; F379-R384 HydrophobicContact CG-CB 4.43Å; F379-R384 HydrophobicContact CG-CG 4.47Å; F379-R384 PolarHBondContact O-N 2.99Å; F379-R384 VanDerWaalsContact O-N 3.09Å; E382-R384 VanDerWaalsContact C-N 3.25Å; E382-R384 HydrophobicContact CB-CG 3.95Å; E382-R384 PolarHBondContact O-N 3.43Å; E382-R384 IonicContact OE1-NE 3.2Å; E382-R384 IonicContact OE1-NH2 3.46Å; E382-R384 PolarHBondContact OE1-NH2 3.31Å; E382-R384 IonicContact OE2-CZ 3.1Å; E382-R384 IonicContact OE2-NE 3.97Å; E382-R384 PolarHBondContact OE2-NE 3.22Å; E382-R384 IonicContact OE2-NH2 2.75Å; E382-R384 PolarHBondContact OE2-NH2 3.4Å; R384-S386 PolarHBondContact O-N 3.2Å; R384-S386 VanDerWaalsContact O-N 3.16Å; R384-S387 PolarHBondContact N-OG 3Å; R384-S387 WeakPolarHBondContact O-CB 3.31Å; R384-S387 PolarHBondContact O-N 3.08Å; R384-S387 VanDerWaalsContact O-N 3.07Å; R384-S387 PolarHBondContact O-OG 3.11Å
385P89.8Confident96.2Very high116 Ų11634 Ų3475%0.75318%0.176SC*.THydrogen-bonded Turntrans-57.1-34.4178.6-27.235.3000113.6S387 Q436P385-S387 VanDerWaalsContact C-N 3.34Å; P385-S387 PolarHBondContact O-N 2.99Å; P385-Q436 PolarHBondContact O-NE2 3.12Å; P385-Q436 PolarHBondContact O-OE1 2.97Å; P385-Q436 VanDerWaalsContact O-OE1 3.14Å
386S93.3Very high96.1Very high55 Ų5536.2 Ų36.239%0.38519%0.19SC..THydrogen-bonded Turntrans-86.94.5-178.859.90000114.5F379 R384 A388 F389 L390F379-S386 VanDerWaalsContact CE2-OG 3.25Å; F379-S386 WeakPolarHBondContact CE2-OG 3.38Å; R384-S386 PolarHBondContact O-N 3.2Å; R384-S386 VanDerWaalsContact O-N 3.16Å; S386-A388 VanDerWaalsContact C-N 3.31Å; S386-A388 PolarHBondContact O-N 3.23Å; S386-F389 PolarHBondContact O-N 3.4Å; S386-L390 PolarHBondContact O-N 2.68Å; S386-L390 VanDerWaalsContact O-N 3.13Å
387S94.9Very high96.1Very high6 Ų638.7 Ų38.74%0.04221%0.205CC..Hα-helixtrans-60.9-39.4-176.5-57.70000112.4F379 R384 P385 F389 L390 E391F379-S387 WeakPolarHBondContact CB-OG 3.49Å; F379-S387 PolarHBondContact O-OG 3.07Å; R384-S387 PolarHBondContact N-OG 3Å; R384-S387 WeakPolarHBondContact O-CB 3.31Å; R384-S387 PolarHBondContact O-N 3.08Å; R384-S387 VanDerWaalsContact O-N 3.07Å; R384-S387 PolarHBondContact O-OG 3.11Å; P385-S387 VanDerWaalsContact C-N 3.34Å; P385-S387 PolarHBondContact O-N 2.99Å; S387-F389 PolarHBondContact O-N 2.89Å; S387-L390 PolarHBondContact O-N 3.11Å; S387-E391 WeakPolarHBondContact O-CB 3.22Å; S387-E391 PolarHBondContact O-N 3.46Å
388A95.8Very high96Very high1 Ų138.6 Ų38.61%0.00820%0.204CC..Hα-helixtrans-63.6-44-179.500000112.3S386 E391 T392 W429 Q432 S433S386-A388 VanDerWaalsContact C-N 3.31Å; S386-A388 PolarHBondContact O-N 3.23Å; A388-E391 PolarHBondContact O-N 3.26Å; A388-T392 WeakPolarHBondContact O-CB 3.21Å; A388-T392 PolarHBondContact O-N 3.09Å; A388-T392 PolarHBondContact O-OG1 3.2Å; A388-W429 VanDerWaalsContact CA-CE3 3.42Å; A388-W429 HydrophobicContact CB-CE3 3.66Å; A388-W429 HydrophobicContact CB-CZ3 3.92Å; A388-Q432 HydrophobicContact CB-CB 3.91Å; A388-S433 WeakPolarHBondContact CB-OG 3.39Å; A388-S433 PolarHBondContact O-OG 2.97Å
389F96.3Very high95.8Very high130 Ų13040.5 Ų40.557%0.5722%0.215SC*.Hα-helixtrans-64.8-48.5179.8178.7-106.7000111.7S386 S387 E391 T392 I393 S433S386-F389 PolarHBondContact O-N 3.4Å; S387-F389 PolarHBondContact O-N 2.89Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 2.88Å; F389-T392 WeakPolarHBondContact O-CB 3.36Å; F389-T392 PolarHBondContact O-N 2.91Å; F389-I393 HydrophobicContact CD1-CD1 3.99Å; F389-I393 HydrophobicContact CE1-CD1 3.45Å; F389-I393 VanDerWaalsContact CE1-CD1 3.45Å; F389-I393 HydrophobicContact CE2-CD1 4.23Å; F389-I393 HydrophobicContact CZ-CD1 3.6Å; F389-I393 HydrophobicContact CZ-CG1 4.49Å; F389-I393 PolarHBondContact O-N 3.5Å; F389-I393 VanDerWaalsContact O-N 3.13Å; F389-S433 WeakPolarHBondContact CA-OG 3.46Å; F389-S433 PolarHBondContact N-OG 3.32Å
390L97Very high95.7Very high32 Ų3243.5 Ų43.517%0.16823%0.231CC..Hα-helixtrans-62.3-41.8179-17661.9000111.6L372 T375 F379 S386 S387 I393 R394L372-L390 HydrophobicContact CD1-CD1 3.64Å; L372-L390 HydrophobicContact CD1-CG 4.48Å; T375-L390 HydrophobicContact CG2-CD2 4.12Å; F379-L390 HydrophobicContact CB-CD2 4.35Å; F379-L390 HydrophobicContact CD1-CD2 3.9Å; F379-L390 HydrophobicContact CD2-CD2 4.03Å; F379-L390 HydrophobicContact CE1-CD2 4.08Å; F379-L390 HydrophobicContact CE2-CD2 4.27Å; F379-L390 HydrophobicContact CG-CD2 3.85Å; F379-L390 HydrophobicContact CZ-CD2 4.29Å; S386-L390 PolarHBondContact O-N 2.68Å; S386-L390 VanDerWaalsContact O-N 3.13Å; S387-L390 PolarHBondContact O-N 3.11Å; L390-I393 PolarHBondContact O-N 3.21Å; L390-R394 PolarHBondContact O-N 3.37Å
391E97.8Very high95.5Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-70.7-33.3-179.3-171.164175.500112.5Y336 S376 I380 S387 A388 F389 R394 C395 W429Y336-E391 WeakPolarHBondContact CE1-OE1 3.32Å; Y336-E391 PolarHBondContact OH-OE1 3.46Å; S376-E391 WeakPolarHBondContact CB-OE2 3.45Å; S376-E391 WeakPolarHBondContact OG-CA 3.43Å; S376-E391 PolarHBondContact OG-OE2 3.41Å; I380-E391 HydrophobicContact CD1-CB 4.33Å; I380-E391 HydrophobicContact CD1-CG 3.86Å; S387-E391 WeakPolarHBondContact O-CB 3.22Å; S387-E391 PolarHBondContact O-N 3.46Å; A388-E391 PolarHBondContact O-N 3.26Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 2.88Å; E391-R394 PolarHBondContact O-N 3.26Å; E391-R394 IonicContact OE1-CZ 2.65Å; E391-R394 IonicContact OE1-NE 3.46Å; E391-R394 PolarHBondContact OE1-NE 3.47Å; E391-R394 IonicContact OE1-NH2 2.6Å; E391-R394 PolarHBondContact OE1-NH2 2.55Å; E391-R394 WeakPolarHBondContact OE2-CD 3.41Å; E391-R394 IonicContact OE2-CZ 3.46Å; E391-R394 IonicContact OE2-NE 3.45Å; E391-R394 PolarHBondContact OE2-NE 3.47Å; E391-R394 IonicContact OE2-NH2 3.76Å; E391-C395 WeakPolarHBondContact O-CB 3.4Å; E391-C395 PolarHBondContact O-N 3.4Å; E391-C395 PolarHBondContact O-SG 2.71Å; E391-W429 HydrophobicContact CB-CB 4.44Å; E391-W429 HydrophobicContact CB-CD2 3.96Å; E391-W429 HydrophobicContact CB-CE3 4.45Å; E391-W429 HydrophobicContact CB-CG 3.97Å; E391-W429 HydrophobicContact CG-CB 4.39Å; E391-W429 HydrophobicContact CG-CD2 3.77Å; E391-W429 HydrophobicContact CG-CG 3.61Å; E391-W429 HydrophobicContact CG-CZ2 4.2Å; E391-W429 VanDerWaalsContact CG-NE1 3.27Å
392T97.9Very high95.3Very high23 Ų2345.7 Ų45.714%0.14124%0.242CC..Hα-helixtrans-59.2-49.6170.1-57.70000110.7A388 F389 R394 C395 V396 L426 W429 A430 S433A388-T392 WeakPolarHBondContact O-CB 3.21Å; A388-T392 PolarHBondContact O-N 3.09Å; A388-T392 PolarHBondContact O-OG1 3.2Å; F389-T392 WeakPolarHBondContact O-CB 3.36Å; F389-T392 PolarHBondContact O-N 2.91Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.16Å; T392-C395 PolarHBondContact O-N 3.44Å; T392-V396 WeakPolarHBondContact O-CG2 3.16Å; T392-V396 PolarHBondContact O-N 3.32Å; T392-L426 HydrophobicContact CG2-CD1 4.03Å; T392-W429 WeakPolarHBondContact OG1-CB 3.5Å; T392-W429 PolarHBondContact OG1-O 2.65Å; T392-A430 HydrophobicContact CG2-CB 4.05Å; T392-A430 PolarHBondContact OG1-N 3.26Å; T392-S433 PolarHBondContact OG1-OG 3.38Å
393I97.5Very high95.2Very high71 Ų7153.2 Ų53.236%0.36427%0.269SS..Hα-helixtrans-58.6-48.1177.4-68169.2000110.3F389 L390 C395 V396 V397F389-I393 HydrophobicContact CD1-CD1 3.99Å; F389-I393 HydrophobicContact CE1-CD1 3.45Å; F389-I393 VanDerWaalsContact CE1-CD1 3.45Å; F389-I393 HydrophobicContact CE2-CD1 4.23Å; F389-I393 HydrophobicContact CZ-CD1 3.6Å; F389-I393 HydrophobicContact CZ-CG1 4.49Å; F389-I393 PolarHBondContact O-N 3.5Å; F389-I393 VanDerWaalsContact O-N 3.13Å; L390-I393 PolarHBondContact O-N 3.21Å; I393-C395 PolarHBondContact O-N 3.4Å; I393-V396 PolarHBondContact O-N 2.91Å; I393-V397 WeakPolarHBondContact O-CG2 3.5Å; I393-V397 PolarHBondContact O-N 2.93Å
394R97.8Very high95.1Very high0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-58.7-46178.7-173.2-158.768.983.1-4.4111.8H340 Y369 L372 T373 L390 E391 T392 V396 V397 M398H340-R394 PolarHBondContact CE1-NH2 3.24Å; H340-R394 PolarHBondContact ND1-NH1 3.29Å; H340-R394 PolarHBondContact ND1-NH2 3.13Å; Y369-R394 HydrophobicContact CE2-CG 4.47Å; L372-R394 HydrophobicContact CD2-CB 4.15Å; L372-R394 HydrophobicContact CD2-CG 4.28Å; L372-R394 HydrophobicContact CG-CB 4.11Å; L372-R394 HydrophobicContact CG-CG 4.1Å; T373-R394 VanDerWaalsContact CA-CD 3.49Å; T373-R394 WeakPolarHBondContact OG1-CD 3.47Å; L390-R394 PolarHBondContact O-N 3.37Å; E391-R394 PolarHBondContact O-N 3.26Å; E391-R394 IonicContact OE1-CZ 2.65Å; E391-R394 IonicContact OE1-NE 3.46Å; E391-R394 PolarHBondContact OE1-NE 3.47Å; E391-R394 IonicContact OE1-NH2 2.6Å; E391-R394 PolarHBondContact OE1-NH2 2.55Å; E391-R394 WeakPolarHBondContact OE2-CD 3.41Å; E391-R394 IonicContact OE2-CZ 3.46Å; E391-R394 IonicContact OE2-NE 3.45Å; E391-R394 PolarHBondContact OE2-NE 3.47Å; E391-R394 IonicContact OE2-NH2 3.76Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.16Å; R394-V396 PolarHBondContact O-N 3.46Å; R394-V397 PolarHBondContact O-N 3.21Å; R394-M398 PolarHBondContact NH1-SD 2.88Å; R394-M398 VanDerWaalsContact NH1-SD 3.44Å; R394-M398 WeakPolarHBondContact O-CB 3.47Å; R394-M398 PolarHBondContact O-N 3.04Å
395C97.8Very high94.9Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-64.2-38.2178.2-70.80000112.2E391 T392 I393 M398 V399 L426E391-C395 WeakPolarHBondContact O-CB 3.4Å; E391-C395 PolarHBondContact O-N 3.4Å; E391-C395 PolarHBondContact O-SG 2.71Å; T392-C395 PolarHBondContact O-N 3.44Å; I393-C395 PolarHBondContact O-N 3.4Å; C395-M398 PolarHBondContact O-N 3.36Å; C395-V399 WeakPolarHBondContact O-CG2 3.23Å; C395-V399 PolarHBondContact O-N 3.27Å; C395-L426 HydrophobicContact CB-CB 3.79Å; C395-L426 HydrophobicContact CB-CD1 3.91Å; C395-L426 HydrophobicContact CB-CG 4.4Å
396V97.3Very high94.8Very high62 Ų6255.4 Ų55.438%0.37627%0.271SS..Hα-helixtrans-59.1-49172.61710000110.6T392 I393 R394 M398 V399 M400 L426T392-V396 WeakPolarHBondContact O-CG2 3.16Å; T392-V396 PolarHBondContact O-N 3.32Å; I393-V396 PolarHBondContact O-N 2.91Å; R394-V396 PolarHBondContact O-N 3.46Å; V396-M398 VanDerWaalsContact C-N 3.3Å; V396-M398 PolarHBondContact O-N 2.67Å; V396-V399 PolarHBondContact O-N 3.17Å; V396-M400 HydrophobicContact CG1-CG 4.49Å; V396-M400 VanDerWaalsContact O-CG 3.3Å; V396-M400 WeakPolarHBondContact O-CG 3.43Å; V396-M400 PolarHBondContact O-N 3.5Å; V396-L426 HydrophobicContact CG2-CD1 3.55Å; V396-L426 HydrophobicContact CG2-CD2 4.2Å
397V97Very high94.5Very high51 Ų5153.4 Ų53.431%0.30926%0.256SS..Hα-helixtrans-59.3-44.1177.6174.20000110.6Y369 L372 I393 R394 M400 L401Y369-V397 HydrophobicContact CD2-CG1 3.81Å; L372-V397 HydrophobicContact CD2-CB 4.49Å; L372-V397 HydrophobicContact CD2-CG2 4.24Å; I393-V397 WeakPolarHBondContact O-CG2 3.5Å; I393-V397 PolarHBondContact O-N 2.93Å; R394-V397 PolarHBondContact O-N 3.21Å; V397-M400 PolarHBondContact O-N 3.26Å; V397-L401 HydrophobicContact CG1-CD1 3.9Å; V397-L401 HydrophobicContact CG1-CG 4.26Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 3.39Å
398M95.9Very high94Very high4 Ų461.2 Ų61.22%0.0228%0.284CS..Hα-helixtrans-59.8-49.4178.6-169.4175.2-175.300112L343 Y369 R394 C395 V396 M400 L401 M402 L407 V422L343-M398 HydrophobicContact CB-CE 4.26Å; L343-M398 HydrophobicContact CD1-CE 3.9Å; Y369-M398 HydrophobicContact CE2-CB 3.89Å; Y369-M398 HydrophobicContact CE2-CG 4.2Å; Y369-M398 WeakPolarHBondContact OH-CG 3.17Å; Y369-M398 PolarHBondContact OH-SD 3.24Å; Y369-M398 VanDerWaalsContact OH-SD 3.37Å; R394-M398 PolarHBondContact NH1-SD 2.88Å; R394-M398 VanDerWaalsContact NH1-SD 3.44Å; R394-M398 WeakPolarHBondContact O-CB 3.47Å; R394-M398 PolarHBondContact O-N 3.04Å; C395-M398 PolarHBondContact O-N 3.36Å; V396-M398 VanDerWaalsContact C-N 3.3Å; V396-M398 PolarHBondContact O-N 2.67Å; M398-M400 VanDerWaalsContact C-N 3.31Å; M398-M400 PolarHBondContact O-N 2.85Å; M398-L401 PolarHBondContact O-N 3.07Å; M398-M402 HydrophobicContact CE-SD 4.47Å; M398-M402 HydrophobicContact CG-SD 4.31Å; M398-M402 VanDerWaalsContact O-CG 3.31Å; M398-M402 WeakPolarHBondContact O-CG 3.22Å; M398-M402 PolarHBondContact O-N 3.01Å; M398-L407 HydrophobicContact CB-CD1 4.48Å; M398-L407 HydrophobicContact CG-CD1 3.76Å; M398-V422 HydrophobicContact CB-CG1 4.09Å; M398-V422 HydrophobicContact CE-CG1 4.47Å; M398-V422 HydrophobicContact CE-CG2 3.37Å; M398-V422 HydrophobicContact CG-CG1 3.81Å; M398-V422 HydrophobicContact CG-CG2 4.37Å; M398-V422 HydrophobicContact SD-CB 4.28Å; M398-V422 HydrophobicContact SD-CG1 3.66Å; M398-V422 HydrophobicContact SD-CG2 3.54Å; M398-V422 VanDerWaalsContact SD-CG2 3.54Å
399V94.9Very high93.5Very high42 Ų4262.2 Ų62.226%0.25529%0.291SS..Hα-helixtrans-59.5-42.9177.1171.40000111.1C395 V396 M402 R403 V422 L426C395-V399 WeakPolarHBondContact O-CG2 3.23Å; C395-V399 PolarHBondContact O-N 3.27Å; V396-V399 PolarHBondContact O-N 3.17Å; V399-M402 PolarHBondContact O-N 3Å; V399-R403 WeakPolarHBondContact O-CB 3.48Å; V399-R403 PolarHBondContact O-N 3.42Å; V399-V422 HydrophobicContact CG2-CG1 3.66Å; V399-L426 HydrophobicContact CG2-CD2 4.26Å
400M94.4Very high92.8Very high95 Ų9558.3 Ų58.347%0.46828%0.279SS..Hα-helixtrans-61.7-47.8177.2-70-65174.200111.2V396 V397 M398 M402 R403 Y404V396-M400 HydrophobicContact CG1-CG 4.49Å; V396-M400 VanDerWaalsContact O-CG 3.3Å; V396-M400 WeakPolarHBondContact O-CG 3.43Å; V396-M400 PolarHBondContact O-N 3.5Å; V397-M400 PolarHBondContact O-N 3.26Å; M398-M400 VanDerWaalsContact C-N 3.31Å; M398-M400 PolarHBondContact O-N 2.85Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.45Å; M400-R403 PolarHBondContact O-N 2.86Å; M400-Y404 WeakPolarHBondContact O-CD2 3.36Å; M400-Y404 PolarHBondContact O-N 3.07Å; M400-Y404 VanDerWaalsContact O-N 3.09Å
401L93.6Very high92.4Very high29 Ų2961.3 Ų61.315%0.15230%0.295CS..Hα-helixtrans-64.3-35.4179-67.3173.8000112.7Y369 V397 M398 S405 Y406 L407Y369-L401 HydrophobicContact CD1-CD1 4.03Å; Y369-L401 HydrophobicContact CD2-CD1 3.8Å; Y369-L401 HydrophobicContact CE2-CD1 4.45Å; Y369-L401 HydrophobicContact CG-CD1 3.55Å; V397-L401 HydrophobicContact CG1-CD1 3.9Å; V397-L401 HydrophobicContact CG1-CG 4.26Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 3.39Å; M398-L401 PolarHBondContact O-N 3.07Å; L401-S405 PolarHBondContact O-N 3.24Å; L401-Y406 HydrophobicContact CD2-CD2 4.12Å; L401-Y406 HydrophobicContact CD2-CG 4.37Å; L401-Y406 PolarHBondContact O-N 3.36Å; L401-L407 HydrophobicContact CB-CB 4.4Å; L401-L407 HydrophobicContact CB-CD1 3.67Å; L401-L407 HydrophobicContact CB-CG 3.64Å; L401-L407 HydrophobicContact CD1-CD1 4.03Å; L401-L407 HydrophobicContact CD1-CG 4.25Å; L401-L407 PolarHBondContact O-N 3.31Å
402M91.7Very high91.9Very high25 Ų2566.9 Ų66.912%0.12333%0.331CS..Hα-helixtrans-64.3-45.9172.6-70.1178.279.600111.2M398 V399 M400 Y404 S405 L407 T418 E419 V422M398-M402 HydrophobicContact CE-SD 4.47Å; M398-M402 HydrophobicContact CG-SD 4.31Å; M398-M402 VanDerWaalsContact O-CG 3.31Å; M398-M402 WeakPolarHBondContact O-CG 3.22Å; M398-M402 PolarHBondContact O-N 3.01Å; V399-M402 PolarHBondContact O-N 3Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.45Å; M402-Y404 VanDerWaalsContact C-N 3.25Å; M402-Y404 PolarHBondContact O-N 3.01Å; M402-S405 PolarHBondContact O-N 3.09Å; M402-L407 HydrophobicContact CG-CB 3.7Å; M402-L407 HydrophobicContact CG-CD1 4.24Å; M402-T418 HydrophobicContact CE-CG2 3.85Å; M402-E419 HydrophobicContact CE-CB 4.23Å; M402-E419 HydrophobicContact CE-CG 3.36Å; M402-V422 HydrophobicContact SD-CB 4.23Å; M402-V422 HydrophobicContact SD-CG1 4.23Å; M402-V422 HydrophobicContact SD-CG2 4.02Å
403R91.6Very high91.6Very high195 Ų19572.6 Ų72.674%0.73636%0.36SS*.Hα-helixtrans-60-34.3179.2-175.5172.2-176.1164.11.8113.1V399 M400 S405V399-R403 WeakPolarHBondContact O-CB 3.48Å; V399-R403 PolarHBondContact O-N 3.42Å; M400-R403 PolarHBondContact O-N 2.86Å; R403-S405 VanDerWaalsContact C-N 3.33Å
404Y90.9Very high91.3Very high157 Ų15772.5 Ų72.562%0.61636%0.36SS*.THydrogen-bonded Turntrans-92.214.3176.5-67.8-71.8000113.6M400 M402 Y406M400-Y404 WeakPolarHBondContact O-CD2 3.36Å; M400-Y404 PolarHBondContact O-N 3.07Å; M400-Y404 VanDerWaalsContact O-N 3.09Å; M402-Y404 VanDerWaalsContact C-N 3.25Å; M402-Y404 PolarHBondContact O-N 3.01Å; Y404-Y406 PolarHBondContact O-N 2.79Å
405S88.9Confident90.9Very high75 Ų7574.6 Ų74.652%0.52438%0.375SS..THydrogen-bonded Turntrans61.119.7177.3-55.60000115.9L401 M402 R403 R408L401-S405 PolarHBondContact O-N 3.24Å; M402-S405 PolarHBondContact O-N 3.09Å; R403-S405 VanDerWaalsContact C-N 3.33Å; S405-R408 PolarHBondContact O-NE 3.31Å
406Y88Confident90.6Very high111 Ų11179.4 Ų79.444%0.43540%0.404SS..SBendtrans-82.8-24.3173.2-67.1-66.1000112.7T362 M366 L401 Y404T362-Y406 HydrophobicContact CG2-CD1 3.69Å; T362-Y406 HydrophobicContact CG2-CE1 3.6Å; M366-Y406 WeakPolarHBondContact CE-O 3.39Å; L401-Y406 HydrophobicContact CD2-CD2 4.12Å; L401-Y406 HydrophobicContact CD2-CG 4.37Å; L401-Y406 PolarHBondContact O-N 3.36Å; Y404-Y406 PolarHBondContact O-N 2.79Å
407L87.3Confident90.5Very high13 Ų1379.8 Ų79.87%0.06841%0.407CS..SBendtrans-114129.1169.9-67-179.8000109.5T347 Y369 M398 L401 M402T347-L407 HydrophobicContact CG2-CD2 3.2Å; T347-L407 WeakPolarHBondContact OG1-CD2 3.29Å; Y369-L407 HydrophobicContact CD1-CD1 4.39Å; Y369-L407 HydrophobicContact CD1-CD2 4.24Å; Y369-L407 HydrophobicContact CE1-CD1 3.74Å; Y369-L407 HydrophobicContact CE1-CD2 3.86Å; Y369-L407 HydrophobicContact CE1-CG 4.44Å; Y369-L407 HydrophobicContact CE2-CD1 4.32Å; M398-L407 HydrophobicContact CB-CD1 4.48Å; M398-L407 HydrophobicContact CG-CD1 3.76Å; L401-L407 HydrophobicContact CB-CB 4.4Å; L401-L407 HydrophobicContact CB-CD1 3.67Å; L401-L407 HydrophobicContact CB-CG 3.64Å; L401-L407 HydrophobicContact CD1-CD1 4.03Å; L401-L407 HydrophobicContact CD1-CG 4.25Å; L401-L407 PolarHBondContact O-N 3.31Å; M402-L407 HydrophobicContact CG-CB 3.7Å; M402-L407 HydrophobicContact CG-CD1 4.24Å
408R84.8Confident90.3Very high169 Ų16978.1 Ų78.164%0.63840%0.397SS*.  trans-125.7146.2178.5-61.2179.3-171.7178.60.3109.6W346 S405W346-R408 VanDerWaalsContact CD1-O 3.25Å; W346-R408 PolarHBondContact NE1-O 3.37Å; W346-R408 VanDerWaalsContact NE1-O 3.16Å; S405-R408 PolarHBondContact O-NE 3.31Å
409S84.3Confident90.1Very high22 Ų2282.8 Ų82.815%0.15442%0.419CS..  trans-64.2145.1169.91670000110.3L411 L414 S415S409-L411 PolarHBondContact O-N 2.66Å; S409-L411 PolarHBondContact OG-N 2.85Å; S409-L411 PolarHBondContact OG-O 2.94Å; S409-L414 VanDerWaalsContact OG-C 3.26Å; S409-L414 WeakPolarHBondContact OG-CB 3.3Å; S409-S415 PolarHBondContact OG-N 3.44Å
410P82.1Confident90.1Very high48 Ų4883 Ų8331%0.31243%0.425SS..SBendtrans-59.4-31.7176.323-33.8000113.6W346 L414W346-P410 HydrophobicContact CD2-CB 3.6Å; W346-P410 HydrophobicContact CE3-CB 3.84Å; W346-P410 HydrophobicContact CG-CB 4.02Å; W346-P410 HydrophobicContact CH2-CB 4.31Å; W346-P410 HydrophobicContact CZ2-CB 4.1Å; W346-P410 HydrophobicContact CZ3-CB 4.18Å; P410-L414 HydrophobicContact CG-CD1 4.49Å
411L88.3Confident90.1Very high96 Ų9681.1 Ų81.150%0.50342%0.415SS..SBendtrans-126139.6178.5-63.1173.8000109.9S409 L413 L414 S415S409-L411 PolarHBondContact O-N 2.66Å; S409-L411 PolarHBondContact OG-N 2.85Å; S409-L411 PolarHBondContact OG-O 2.94Å; L411-L413 VanDerWaalsContact C-N 3.26Å; L411-L413 PolarHBondContact O-N 3.29Å; L411-L414 HydrophobicContact CB-CB 4.33Å; L411-L414 HydrophobicContact CB-CD1 4.14Å; L411-L414 HydrophobicContact CB-CG 4.1Å; L411-L414 HydrophobicContact CD1-CD1 4Å; L411-L414 HydrophobicContact CD1-CG 4.48Å; L411-L414 HydrophobicContact CG-CD1 4.39Å; L411-L414 PolarHBondContact O-N 3.07Å; L411-S415 PolarHBondContact O-N 3.17Å
412P88.3Confident90.2Very high116 Ų11679.7 Ų79.775%0.75341%0.407SS*.G310 helixtrans-55.4-40.1176.8-27.735.2000113.3L414 S415P412-L414 PolarHBondContact O-N 3.19Å; P412-S415 WeakPolarHBondContact O-CB 3.46Å; P412-S415 PolarHBondContact O-N 3.39Å; P412-S415 VanDerWaalsContact O-N 3.17Å; P412-S415 PolarHBondContact O-OG 2.96Å
413L91.2Very high90.3Very high144 Ų14481.4 Ų81.475%0.75442%0.422SS*.G310 helixtrans-55-32.9173.9164.667.7000113.2L411L411-L413 VanDerWaalsContact C-N 3.26Å; L411-L413 PolarHBondContact O-N 3.29Å
414L91Very high90.6Very high68 Ų6877.6 Ų77.636%0.35642%0.415SS..G310 helixtrans-91.2-0.4-175.1-65.4-179000113.1S409 P410 L411 P412 P417 T418S409-L414 VanDerWaalsContact OG-C 3.26Å; S409-L414 WeakPolarHBondContact OG-CB 3.3Å; P410-L414 HydrophobicContact CG-CD1 4.49Å; L411-L414 HydrophobicContact CB-CB 4.33Å; L411-L414 HydrophobicContact CB-CD1 4.14Å; L411-L414 HydrophobicContact CB-CG 4.1Å; L411-L414 HydrophobicContact CD1-CD1 4Å; L411-L414 HydrophobicContact CD1-CG 4.48Å; L411-L414 HydrophobicContact CG-CD1 4.39Å; L411-L414 PolarHBondContact O-N 3.07Å; P412-L414 PolarHBondContact O-N 3.19Å; L414-P417 WeakPolarHBondContact O-CD 3.35Å; L414-T418 WeakPolarHBondContact O-CB 3.35Å; L414-T418 PolarHBondContact O-N 3.5Å; L414-T418 PolarHBondContact O-OG1 3.33Å
415S89.8Confident90.9Very high45 Ų4570.4 Ų70.432%0.31539%0.388SS..Hα-helixtrans-56.2-61.4-179.954.20000112.7S409 L411 P412 T418 E419S409-S415 PolarHBondContact OG-N 3.44Å; L411-S415 PolarHBondContact O-N 3.17Å; P412-S415 WeakPolarHBondContact O-CB 3.46Å; P412-S415 PolarHBondContact O-N 3.39Å; P412-S415 VanDerWaalsContact O-N 3.17Å; P412-S415 PolarHBondContact O-OG 2.96Å; S415-T418 PolarHBondContact O-N 3.06Å; S415-E419 PolarHBondContact O-N 3.47Å
416V92.3Very high91.3Very high101 Ų10168.8 Ų68.861%0.61237%0.373SS*.Hα-helixtrans-61.4-46.5179.8177.90000112.2T418 E419 A420V416-T418 VanDerWaalsContact C-N 3.29Å; V416-T418 PolarHBondContact O-N 2.83Å; V416-E419 PolarHBondContact O-N 3.04Å; V416-A420 WeakPolarHBondContact O-CB 3.34Å; V416-A420 PolarHBondContact O-N 3.29Å
417P93.9Very high91.7Very high70 Ų7068.4 Ų68.446%0.45538%0.378SS..Hα-helixtrans-56.7-39.9173-2834.7000114L414 F421L414-P417 WeakPolarHBondContact O-CD 3.35Å; P417-F421 VanDerWaalsContact O-CB 3.3Å; P417-F421 WeakPolarHBondContact O-CB 3.25Å; P417-F421 PolarHBondContact O-N 3.12Å
418T92.8Very high92.2Very high16 Ų1672.3 Ų72.310%0.09839%0.393CS..Hα-helixtrans-66.6-46.3178.6-58.40000110.6L343 M402 L414 S415 V416 A420 F421 V422L343-T418 HydrophobicContact CD1-CG2 4.12Å; L343-T418 HydrophobicContact CD2-CG2 3.84Å; M402-T418 HydrophobicContact CE-CG2 3.85Å; L414-T418 WeakPolarHBondContact O-CB 3.35Å; L414-T418 PolarHBondContact O-N 3.5Å; L414-T418 PolarHBondContact O-OG1 3.33Å; S415-T418 PolarHBondContact O-N 3.06Å; V416-T418 VanDerWaalsContact C-N 3.29Å; V416-T418 PolarHBondContact O-N 2.83Å; T418-A420 VanDerWaalsContact C-N 3.35Å; T418-A420 PolarHBondContact O-N 3.11Å; T418-F421 PolarHBondContact O-N 3.19Å; T418-V422 HydrophobicContact CG2-CG2 4.35Å; T418-V422 VanDerWaalsContact O-CG2 3.24Å; T418-V422 WeakPolarHBondContact O-CG2 3.47Å; T418-V422 PolarHBondContact O-N 3.21Å
419E92.2Very high92.7Very high101 Ų10165 Ų6547%0.47237%0.365SS..Hα-helixtrans-59.8-44.1176.6-75.3176.6-163.600112.2M402 S415 V416 V422 S423M402-E419 HydrophobicContact CE-CB 4.23Å; M402-E419 HydrophobicContact CE-CG 3.36Å; S415-E419 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 3.04Å; E419-V422 PolarHBondContact O-N 3.41Å; E419-S423 VanDerWaalsContact O-CB 3.28Å; E419-S423 WeakPolarHBondContact O-CB 3.27Å; E419-S423 PolarHBondContact O-N 3.09Å; E419-S423 PolarHBondContact O-OG 3.1Å
420A94.3Very high93.3Very high47 Ų4765.9 Ų65.939%0.38837%0.373SS..Hα-helixtrans-62.1-47.3175.900000111.3V416 T418 V422 S423 L424V416-A420 WeakPolarHBondContact O-CB 3.34Å; V416-A420 PolarHBondContact O-N 3.29Å; T418-A420 VanDerWaalsContact C-N 3.35Å; T418-A420 PolarHBondContact O-N 3.11Å; A420-V422 PolarHBondContact O-N 3.08Å; A420-S423 PolarHBondContact O-N 3.16Å; A420-L424 WeakPolarHBondContact O-CB 3.38Å; A420-L424 VanDerWaalsContact O-CG 3.27Å; A420-L424 WeakPolarHBondContact O-CG 3.37Å; A420-L424 PolarHBondContact O-N 2.92Å
421F95.6Very high93.9Very high55 Ų5568.6 Ų68.624%0.24139%0.385CS..Hα-helixtrans-59.4-45.1178.4172.5-114.3000112.5Y336 L339 H340 L343 P417 T418 S425Y336-F421 HydrophobicContact CD2-CE2 4.29Å; Y336-F421 HydrophobicContact CD2-CZ 4.1Å; Y336-F421 HydrophobicContact CE2-CZ 4.27Å; L339-F421 HydrophobicContact CB-CE1 4.06Å; L339-F421 HydrophobicContact CB-CZ 3.94Å; L339-F421 HydrophobicContact CD1-CE2 4.19Å; L339-F421 HydrophobicContact CD1-CZ 4.05Å; H340-F421 AromaticContact CD2-CE1 3.56Å; H340-F421 AromaticContact CD2-CZ 3.54Å; H340-F421 AromaticContact CE1-CE1 3.5Å; H340-F421 AromaticContact NE2-CE1 3.16Å; H340-F421 WeakPolarHBondContact NE2-CE1 3.44Å; H340-F421 AromaticContact NE2-CZ 3.31Å; H340-F421 VanDerWaalsContact NE2-CZ 3.31Å; H340-F421 WeakPolarHBondContact NE2-CZ 3.34Å; L343-F421 HydrophobicContact CD1-CD1 4.18Å; L343-F421 HydrophobicContact CD1-CE1 4.18Å; P417-F421 VanDerWaalsContact O-CB 3.3Å; P417-F421 WeakPolarHBondContact O-CB 3.25Å; P417-F421 PolarHBondContact O-N 3.12Å; T418-F421 PolarHBondContact O-N 3.19Å; F421-S425 WeakPolarHBondContact O-CB 3.46Å; F421-S425 PolarHBondContact O-N 2.71Å; F421-S425 PolarHBondContact O-OG 3.25Å
422V94.4Very high94.2Very high0 Ų067.4 Ų67.40%038%0.376CS..Hα-helixtrans-68.1-40.1179.1175.70000111.2M398 V399 M402 T418 E419 A420 S425 L426M398-V422 HydrophobicContact CB-CG1 4.09Å; M398-V422 HydrophobicContact CE-CG1 4.47Å; M398-V422 HydrophobicContact CE-CG2 3.37Å; M398-V422 HydrophobicContact CG-CG1 3.81Å; M398-V422 HydrophobicContact CG-CG2 4.37Å; M398-V422 HydrophobicContact SD-CB 4.28Å; M398-V422 HydrophobicContact SD-CG1 3.66Å; M398-V422 HydrophobicContact SD-CG2 3.54Å; M398-V422 VanDerWaalsContact SD-CG2 3.54Å; V399-V422 HydrophobicContact CG2-CG1 3.66Å; M402-V422 HydrophobicContact SD-CB 4.23Å; M402-V422 HydrophobicContact SD-CG1 4.23Å; M402-V422 HydrophobicContact SD-CG2 4.02Å; T418-V422 HydrophobicContact CG2-CG2 4.35Å; T418-V422 VanDerWaalsContact O-CG2 3.24Å; T418-V422 WeakPolarHBondContact O-CG2 3.47Å; T418-V422 PolarHBondContact O-N 3.21Å; E419-V422 PolarHBondContact O-N 3.41Å; A420-V422 PolarHBondContact O-N 3.08Å; V422-S425 WeakPolarHBondContact O-CB 3.31Å; V422-S425 PolarHBondContact O-N 3.26Å; V422-L426 PolarHBondContact O-N 2.88Å
423S95Very high94.4Very high61 Ų6162.4 Ų62.443%0.42735%0.345SS..Hα-helixtrans-66.3-41.6178-58.80000112.1E419 A420 S425 L426 L427E419-S423 VanDerWaalsContact O-CB 3.28Å; E419-S423 WeakPolarHBondContact O-CB 3.27Å; E419-S423 PolarHBondContact O-N 3.09Å; E419-S423 PolarHBondContact O-OG 3.1Å; A420-S423 PolarHBondContact O-N 3.16Å; S423-S425 VanDerWaalsContact C-N 3.34Å; S423-L426 WeakPolarHBondContact O-CB 3.45Å; S423-L426 PolarHBondContact O-N 3.03Å; S423-L427 PolarHBondContact O-N 2.93Å
424L96.8Very high94.4Very high114 Ų11461.8 Ų61.860%0.59734%0.336SS*.Hα-helixtrans-66.6-37174-70.6171.6000111.8A420 L427 Y428A420-L424 WeakPolarHBondContact O-CB 3.38Å; A420-L424 VanDerWaalsContact O-CG 3.27Å; A420-L424 WeakPolarHBondContact O-CG 3.37Å; A420-L424 PolarHBondContact O-N 2.92Å; L424-L427 PolarHBondContact O-N 3.41Å; L424-Y428 WeakPolarHBondContact O-CB 3.49Å; L424-Y428 PolarHBondContact O-N 3.42Å
425S97.2Very high94.3Very high6 Ų661.9 Ų61.94%0.04234%0.342CS..Hα-helixtrans-58.7-48.2172.5-61.40000111Y336 H340 F421 V422 S423 L427 Y428 W429Y336-S425 WeakPolarHBondContact CE2-OG 3.49Å; H340-S425 PolarHBondContact NE2-OG 2.94Å; F421-S425 WeakPolarHBondContact O-CB 3.46Å; F421-S425 PolarHBondContact O-N 2.71Å; F421-S425 PolarHBondContact O-OG 3.25Å; V422-S425 WeakPolarHBondContact O-CB 3.31Å; V422-S425 PolarHBondContact O-N 3.26Å; S423-S425 VanDerWaalsContact C-N 3.34Å; S425-L427 PolarHBondContact O-N 3.02Å; S425-Y428 PolarHBondContact O-N 3.2Å; S425-W429 PolarHBondContact O-N 2.84Å
426L97.6Very high94.2Very high42 Ų4263.2 Ų63.222%0.2234%0.343CS..Hα-helixtrans-58.1-49.2177.2175.754.9000111.4T392 C395 V396 V399 V422 S423 Y428 W429 A430T392-L426 HydrophobicContact CG2-CD1 4.03Å; C395-L426 HydrophobicContact CB-CB 3.79Å; C395-L426 HydrophobicContact CB-CD1 3.91Å; C395-L426 HydrophobicContact CB-CG 4.4Å; V396-L426 HydrophobicContact CG2-CD1 3.55Å; V396-L426 HydrophobicContact CG2-CD2 4.2Å; V399-L426 HydrophobicContact CG2-CD2 4.26Å; V422-L426 PolarHBondContact O-N 2.88Å; S423-L426 WeakPolarHBondContact O-CB 3.45Å; S423-L426 PolarHBondContact O-N 3.03Å; L426-Y428 PolarHBondContact O-N 3.49Å; L426-W429 PolarHBondContact O-N 2.67Å; L426-A430 VanDerWaalsContact O-CB 3.23Å; L426-A430 WeakPolarHBondContact O-CB 3.43Å; L426-A430 PolarHBondContact O-N 3.37Å
427L97Very high93.8Very high102 Ų10263.7 Ų63.753%0.53434%0.342SS..Hα-helixtrans-59-47.5179.717961.6000111.5S423 L424 S425 L431S423-L427 PolarHBondContact O-N 2.93Å; L424-L427 PolarHBondContact O-N 3.41Å; S425-L427 PolarHBondContact O-N 3.02Å; L427-L431 HydrophobicContact CD1-CD1 4.14Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.2Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.42Å; L427-L431 PolarHBondContact O-N 2.74Å; L427-L431 VanDerWaalsContact O-N 3.11Å
428Y96.7Very high93.3Very high96 Ų9664.5 Ų64.538%0.37634%0.342SS..Hα-helixtrans-57.5-52.6178.5173.3-98.5000111.5F333 L424 S425 L426 L431 Q432F333-Y428 HydrophobicContact CE1-CE1 4.31Å; L424-Y428 WeakPolarHBondContact O-CB 3.49Å; L424-Y428 PolarHBondContact O-N 3.42Å; S425-Y428 PolarHBondContact O-N 3.2Å; L426-Y428 PolarHBondContact O-N 3.49Å; Y428-L431 PolarHBondContact O-N 3.41Å; Y428-Q432 HydrophobicContact CD1-CG 4.33Å; Y428-Q432 HydrophobicContact CE1-CG 3.88Å; Y428-Q432 HydrophobicContact CE2-CG 4.1Å; Y428-Q432 WeakPolarHBondContact O-CG 2.96Å; Y428-Q432 PolarHBondContact O-N 3.19Å
429W97Very high92.6Very high16 Ų1666.9 Ų66.96%0.06136%0.359CS..Hα-helixtrans-72-31.8-175.5-71.6114.6000113.4F333 Y336 I380 A388 E391 T392 S425 L426 Q432 S433F333-W429 HydrophobicContact CD1-CZ2 4.32Å; F333-W429 AromaticContact CE1-CH2 3.73Å; F333-W429 HydrophobicContact CE1-CH2 3.73Å; F333-W429 AromaticContact CE1-CZ2 3.71Å; F333-W429 HydrophobicContact CE1-CZ2 3.71Å; F333-W429 HydrophobicContact CZ-CH2 4.33Å; Y336-W429 HydrophobicContact CE1-CZ2 4.38Å; Y336-W429 AromaticContact CE1-NE1 3.72Å; Y336-W429 AromaticContact CE2-NE1 3.87Å; Y336-W429 AromaticContact CZ-NE1 3.25Å; Y336-W429 PolarHBondContact OH-NE1 3.15Å; I380-W429 HydrophobicContact CD1-CH2 4.38Å; I380-W429 HydrophobicContact CD1-CZ2 3.81Å; I380-W429 HydrophobicContact CG1-CH2 4.05Å; I380-W429 HydrophobicContact CG1-CZ2 3.98Å; A388-W429 VanDerWaalsContact CA-CE3 3.42Å; A388-W429 HydrophobicContact CB-CE3 3.66Å; A388-W429 HydrophobicContact CB-CZ3 3.92Å; E391-W429 HydrophobicContact CB-CB 4.44Å; E391-W429 HydrophobicContact CB-CD2 3.96Å; E391-W429 HydrophobicContact CB-CE3 4.45Å; E391-W429 HydrophobicContact CB-CG 3.97Å; E391-W429 HydrophobicContact CG-CB 4.39Å; E391-W429 HydrophobicContact CG-CD2 3.77Å; E391-W429 HydrophobicContact CG-CG 3.61Å; E391-W429 HydrophobicContact CG-CZ2 4.2Å; E391-W429 VanDerWaalsContact CG-NE1 3.27Å; T392-W429 WeakPolarHBondContact OG1-CB 3.5Å; T392-W429 PolarHBondContact OG1-O 2.65Å; S425-W429 PolarHBondContact O-N 2.84Å; L426-W429 PolarHBondContact O-N 2.67Å; W429-Q432 HydrophobicContact CE3-CB 4.24Å; W429-Q432 HydrophobicContact CE3-CG 4.44Å; W429-Q432 PolarHBondContact O-N 2.81Å; W429-S433 WeakPolarHBondContact O-CB 3.48Å; W429-S433 PolarHBondContact O-N 2.82Å; W429-S433 PolarHBondContact O-OG 3.45Å
430A95.9Very high91.8Very high39 Ų3966.9 Ų66.932%0.32236%0.361SS..Hα-helixtrans-62-44172.200000111.4T392 L426 S433 F434T392-A430 HydrophobicContact CG2-CB 4.05Å; T392-A430 PolarHBondContact OG1-N 3.26Å; L426-A430 VanDerWaalsContact O-CB 3.23Å; L426-A430 WeakPolarHBondContact O-CB 3.43Å; L426-A430 PolarHBondContact O-N 3.37Å; A430-S433 PolarHBondContact O-N 3.19Å; A430-F434 WeakPolarHBondContact O-CB 3.18Å; A430-F434 PolarHBondContact O-N 3.15Å
431L95.4Very high90.3Very high106 Ų10671.4 Ų71.456%0.55537%0.372SS*.Hα-helixtrans-64.5-43175.8-70.4171.5000112L427 Y428 F434 S435L427-L431 HydrophobicContact CD1-CD1 4.14Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.2Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.42Å; L427-L431 PolarHBondContact O-N 2.74Å; L427-L431 VanDerWaalsContact O-N 3.11Å; Y428-L431 PolarHBondContact O-N 3.41Å; L431-F434 PolarHBondContact O-N 3.36Å; L431-S435 WeakPolarHBondContact O-CB 3.3Å; L431-S435 PolarHBondContact O-N 2.72Å
432Q93.7Very high88.9Confident70 Ų7076.6 Ų76.633%0.32740%0.395SS..Hα-helixtrans-62-43.9175.6-69.1-58-35.800111.8A388 Y428 W429 F434 S435 Q436A388-Q432 HydrophobicContact CB-CB 3.91Å; Y428-Q432 HydrophobicContact CD1-CG 4.33Å; Y428-Q432 HydrophobicContact CE1-CG 3.88Å; Y428-Q432 HydrophobicContact CE2-CG 4.1Å; Y428-Q432 WeakPolarHBondContact O-CG 2.96Å; Y428-Q432 PolarHBondContact O-N 3.19Å; W429-Q432 HydrophobicContact CE3-CB 4.24Å; W429-Q432 HydrophobicContact CE3-CG 4.44Å; W429-Q432 PolarHBondContact O-N 2.81Å; Q432-F434 PolarHBondContact O-N 2.84Å; Q432-S435 PolarHBondContact O-N 3.26Å; Q432-Q436 WeakPolarHBondContact O-CG 3.23Å; Q432-Q436 PolarHBondContact O-N 3.27Å
433S92.5Very high87.4Confident12 Ų1284.8 Ų84.88%0.08443%0.431CS..Hα-helixtrans-61.7-44.1178.1-58.60000111.6A388 F389 T392 W429 A430 Q436 L437A388-S433 WeakPolarHBondContact CB-OG 3.39Å; A388-S433 PolarHBondContact O-OG 2.97Å; F389-S433 WeakPolarHBondContact CA-OG 3.46Å; F389-S433 PolarHBondContact N-OG 3.32Å; T392-S433 PolarHBondContact OG1-OG 3.38Å; W429-S433 WeakPolarHBondContact O-CB 3.48Å; W429-S433 PolarHBondContact O-N 2.82Å; W429-S433 PolarHBondContact O-OG 3.45Å; A430-S433 PolarHBondContact O-N 3.19Å; S433-Q436 PolarHBondContact O-N 3.32Å; S433-L437 WeakPolarHBondContact O-CG 3.26Å; S433-L437 PolarHBondContact O-N 2.71Å; S433-L437 VanDerWaalsContact O-N 3.1Å
434F90.9Very high85.4Confident131 Ų13188.2 Ų88.258%0.57544%0.444SS*.Hα-helixtrans-63.9-42.8177-172.6-106.5000111.9A430 L431 Q432 Q436 L437 L438A430-F434 WeakPolarHBondContact O-CB 3.18Å; A430-F434 PolarHBondContact O-N 3.15Å; L431-F434 PolarHBondContact O-N 3.36Å; Q432-F434 PolarHBondContact O-N 2.84Å; F434-Q436 PolarHBondContact O-N 2.65Å; F434-L437 PolarHBondContact O-N 3.01Å; F434-L438 HydrophobicContact CD1-CD1 3.81Å; F434-L438 HydrophobicContact CD1-CG 4.4Å; F434-L438 HydrophobicContact CE1-CD1 3.39Å; F434-L438 HydrophobicContact CE1-CG 4.11Å; F434-L438 HydrophobicContact CZ-CD1 3.94Å; F434-L438 HydrophobicContact CZ-CD2 4.37Å; F434-L438 HydrophobicContact CZ-CG 4.27Å; F434-L438 WeakPolarHBondContact O-CG 3.49Å; F434-L438 PolarHBondContact O-N 2.66Å; F434-L438 VanDerWaalsContact O-N 3.09Å
435S88.9Confident83.1Confident70 Ų7091.5 Ų91.549%0.4946%0.462SS..Hα-helixtrans-60.7-43176.3-174.80000112.5L431 Q432 L438 S439L431-S435 WeakPolarHBondContact O-CB 3.3Å; L431-S435 PolarHBondContact O-N 2.72Å; Q432-S435 PolarHBondContact O-N 3.26Å; S435-L438 PolarHBondContact O-N 3.28Å; S435-S439 PolarHBondContact O-N 3.2Å
436Q87.6Confident82.4Confident72 Ų7295.8 Ų95.834%0.33648%0.483SS..Hα-helixtrans-62.8-44176.8-73.7178.7-13.300112.3P385 Q432 S433 F434 L438 S439 I440P385-Q436 PolarHBondContact O-NE2 3.12Å; P385-Q436 PolarHBondContact O-OE1 2.97Å; P385-Q436 VanDerWaalsContact O-OE1 3.14Å; Q432-Q436 WeakPolarHBondContact O-CG 3.23Å; Q432-Q436 PolarHBondContact O-N 3.27Å; S433-Q436 PolarHBondContact O-N 3.32Å; F434-Q436 PolarHBondContact O-N 2.65Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.28Å; Q436-S439 WeakPolarHBondContact O-CB 3.13Å; Q436-S439 PolarHBondContact O-N 3.27Å; Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.39Å; Q436-I440 VanDerWaalsContact O-N 3.1Å
437L84.1Confident81.6Confident112 Ų11298.6 Ų98.659%0.58650%0.497SS*.Hα-helixtrans-60.9-42177-72.8169.4000112.2S433 F434 S439 I440 K441S433-L437 WeakPolarHBondContact O-CG 3.26Å; S433-L437 PolarHBondContact O-N 2.71Å; S433-L437 VanDerWaalsContact O-N 3.1Å; F434-L437 PolarHBondContact O-N 3.01Å; L437-S439 VanDerWaalsContact C-N 3.32Å; L437-S439 PolarHBondContact O-N 3Å; L437-I440 PolarHBondContact O-N 3.2Å; L437-K441 PolarHBondContact O-N 3.01Å
438L83Confident80.7Confident86 Ų8698.4 Ų98.445%0.4550%0.495SS..Hα-helixtrans-66.2-33176.4-70.6178.6000113F434 S435 Q436 K442F434-L438 HydrophobicContact CD1-CD1 3.81Å; F434-L438 HydrophobicContact CD1-CG 4.4Å; F434-L438 HydrophobicContact CE1-CD1 3.39Å; F434-L438 HydrophobicContact CE1-CG 4.11Å; F434-L438 HydrophobicContact CZ-CD1 3.94Å; F434-L438 HydrophobicContact CZ-CD2 4.37Å; F434-L438 HydrophobicContact CZ-CG 4.27Å; F434-L438 WeakPolarHBondContact O-CG 3.49Å; F434-L438 PolarHBondContact O-N 2.66Å; F434-L438 VanDerWaalsContact O-N 3.09Å; S435-L438 PolarHBondContact O-N 3.28Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.28Å; L438-K442 PolarHBondContact O-N 3.15Å
439S79.6Confident79.8Confident66 Ų6698.5 Ų98.546%0.46250%0.502SS..Hα-helixtrans-70.8-38177.9-177.10000112.7S435 Q436 L437 K442S435-S439 PolarHBondContact O-N 3.2Å; Q436-S439 WeakPolarHBondContact O-CB 3.13Å; Q436-S439 PolarHBondContact O-N 3.27Å; L437-S439 VanDerWaalsContact C-N 3.32Å; L437-S439 PolarHBondContact O-N 3Å; S439-K442 PolarHBondContact O-N 2.84Å
440I75.6Confident78.7Confident101 Ų101103.7 Ų103.752%0.51853%0.53SS..Hα-helixtrans-62.5-48.7175.1-66.7166.3000109.9Q436 L437 K442 K443Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.39Å; Q436-I440 VanDerWaalsContact O-N 3.1Å; L437-I440 PolarHBondContact O-N 3.2Å; I440-K442 PolarHBondContact O-N 3.13Å; I440-K443 PolarHBondContact O-N 2.9Å
441K62.8Low77.5Confident142 Ų142108 Ų10862%0.61754%0.543SS*.Hα-helixtrans-58.2-34.1-179.3-165.7175-179.9-178.80113.1L437 K443 D444L437-K441 PolarHBondContact O-N 3.01Å; K441-K443 VanDerWaalsContact C-N 3.31Å; K441-K443 PolarHBondContact O-N 3.07Å; K441-D444 PolarHBondContact O-N 3.26Å
442K64.6Low76.3Confident165 Ų165108.1 Ų108.172%0.71754%0.542SS*.THydrogen-bonded Turntrans-74.1-12.5176.5-76.6-177.1177.2-176.10115.2L438 S439 I440L438-K442 PolarHBondContact O-N 3.15Å; S439-K442 PolarHBondContact O-N 2.84Å; I440-K442 PolarHBondContact O-N 3.13Å
443K62.6Low74.9Confident172 Ų172111.1 Ų111.175%0.74856%0.559SS**THydrogen-bonded Turntrans-92.5-16.4175.5-77.4-176.2175.6-178.80113I440 K441I440-K443 PolarHBondContact O-N 2.9Å; K441-K443 VanDerWaalsContact C-N 3.31Å; K441-K443 PolarHBondContact O-N 3.07Å
444D55Low73.5Confident132 Ų132119.3 Ų119.371%0.70660%0.599SS**  trans-99-7-179.2-62.4-29.7000112.6K441K441-D444 PolarHBondContact O-N 3.26Å
445D46.9Very low71.9Confident183 Ų183118.3 Ų118.398%0.97960%0.601SS**  trans-98.70167.5-67.3-26.9000109.7

Retrieved 445 of 445 residues in 3944.7 ms (Link to these results)

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